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 3kk2_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FRKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDICKL VGKLNWASQI YPGIKVRQLS KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN RGRQKVVTLT DTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DQSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LVSAG 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 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.353 177.300 0.089 0.000 1.155 1 P CA 0.000 63.137 63.100 0.062 0.000 0.800 1 P CB 0.000 31.726 31.700 0.043 0.000 0.726 2 I N 0.238 120.858 120.570 0.082 0.000 2.378 2 I HA 0.355 4.525 4.170 0.001 0.000 0.291 2 I C 0.516 176.698 176.117 0.109 0.000 0.992 2 I CA -0.803 60.561 61.300 0.108 0.000 1.154 2 I CB 1.820 39.877 38.000 0.095 0.000 1.315 2 I HN 0.371 nan 8.210 nan 0.000 0.448 3 S N 8.005 123.792 115.700 0.145 0.000 2.563 3 S HA 0.087 4.558 4.470 0.001 0.000 0.294 3 S C -1.257 173.445 174.600 0.170 0.000 1.279 3 S CA -0.795 57.511 58.200 0.177 0.000 1.069 3 S CB 0.491 63.813 63.200 0.203 0.000 0.828 3 S HN 0.482 nan 8.310 nan 0.000 0.497 4 P HA 0.104 nan 4.420 nan 0.000 0.249 4 P C 0.588 178.044 177.300 0.261 0.000 1.241 4 P CA -0.060 63.121 63.100 0.135 0.000 0.781 4 P CB -0.178 31.513 31.700 -0.015 0.000 1.088 5 I N 1.132 121.912 120.570 0.349 0.000 2.892 5 I HA -0.042 4.128 4.170 0.001 0.000 0.287 5 I C 0.791 176.995 176.117 0.144 0.000 1.205 5 I CA -0.200 61.254 61.300 0.257 0.000 1.409 5 I CB 0.647 38.705 38.000 0.098 0.000 1.367 5 I HN -0.052 nan 8.210 nan 0.000 0.597 6 E N 4.375 124.635 120.200 0.101 0.000 2.373 6 E HA 0.217 4.567 4.350 0.001 0.000 0.263 6 E C -0.287 176.348 176.600 0.057 0.000 1.073 6 E CA -0.619 55.826 56.400 0.075 0.000 0.894 6 E CB 0.225 29.962 29.700 0.061 0.000 1.008 6 E HN 0.640 nan 8.360 nan 0.000 0.420 7 T N -1.517 113.074 114.554 0.063 0.000 2.868 7 T HA 0.225 4.575 4.350 0.001 0.000 0.292 7 T C 0.285 175.019 174.700 0.056 0.000 1.028 7 T CA -0.900 61.239 62.100 0.065 0.000 1.059 7 T CB 0.852 69.766 68.868 0.076 0.000 0.991 7 T HN 0.231 nan 8.240 nan 0.000 0.531 8 V N 4.444 124.396 119.914 0.063 0.000 2.364 8 V HA 0.324 4.445 4.120 0.001 0.000 0.272 8 V C -1.826 174.317 176.094 0.081 0.000 1.036 8 V CA -1.838 60.502 62.300 0.067 0.000 0.880 8 V CB 0.662 32.530 31.823 0.076 0.000 0.991 8 V HN 0.851 nan 8.190 nan 0.000 0.460 9 P HA 0.152 nan 4.420 nan 0.000 0.265 9 P C -0.535 176.796 177.300 0.052 0.000 1.222 9 P CA 0.299 63.437 63.100 0.064 0.000 0.767 9 P CB 0.997 32.727 31.700 0.049 0.000 0.801 10 V N 1.316 121.266 119.914 0.061 0.000 2.815 10 V HA 0.675 4.795 4.120 0.001 0.000 0.314 10 V C -0.184 175.985 176.094 0.125 0.000 1.064 10 V CA -1.000 61.311 62.300 0.018 0.000 0.952 10 V CB 2.278 34.054 31.823 -0.079 0.000 1.020 10 V HN 0.314 nan 8.190 nan 0.000 0.439 11 K N 2.610 123.076 120.400 0.109 0.000 2.395 11 K HA 0.678 4.999 4.320 0.001 0.000 0.247 11 K C -1.040 175.709 176.600 0.248 0.000 0.973 11 K CA -0.837 55.567 56.287 0.195 0.000 0.828 11 K CB 2.522 35.067 32.500 0.076 0.000 1.272 11 K HN 0.630 nan 8.250 nan 0.000 0.439 12 L N 1.883 123.209 121.223 0.171 0.000 2.464 12 L HA 0.180 4.521 4.340 0.001 0.000 0.264 12 L C 0.400 177.275 176.870 0.008 0.000 1.199 12 L CA -0.188 54.664 54.840 0.020 0.000 0.818 12 L CB 0.352 42.258 42.059 -0.255 0.000 1.102 12 L HN 0.422 nan 8.230 nan 0.000 0.473 13 K N 1.999 122.397 120.400 -0.003 0.000 2.382 13 K HA 0.149 4.470 4.320 0.001 0.000 0.275 13 K C -2.242 174.351 176.600 -0.011 0.000 1.009 13 K CA -1.483 54.801 56.287 -0.006 0.000 0.970 13 K CB 0.169 32.670 32.500 0.002 0.000 0.934 13 K HN 0.260 nan 8.250 nan 0.000 0.479 14 P HA -0.087 nan 4.420 nan 0.000 0.261 14 P C 0.480 177.781 177.300 0.003 0.000 1.183 14 P CA 0.926 64.027 63.100 0.002 0.000 0.761 14 P CB 0.449 32.151 31.700 0.004 0.000 0.785 15 G N 2.072 110.876 108.800 0.006 0.000 2.179 15 G HA2 -0.231 3.729 3.960 0.001 0.000 0.260 15 G HA3 -0.231 3.729 3.960 0.001 0.000 0.260 15 G C 0.126 175.030 174.900 0.007 0.000 0.977 15 G CA -0.292 44.815 45.100 0.011 0.000 0.641 15 G HN 0.438 nan 8.290 nan 0.000 0.533 16 M N 0.301 119.895 119.600 -0.011 0.000 2.478 16 M HA 0.595 5.076 4.480 0.001 0.000 0.327 16 M C -0.523 175.742 176.300 -0.057 0.000 1.187 16 M CA -0.573 54.711 55.300 -0.027 0.000 1.022 16 M CB 1.592 34.167 32.600 -0.041 0.000 1.629 16 M HN 0.150 nan 8.290 nan 0.000 0.461 17 D N 0.351 120.728 120.400 -0.038 0.000 2.433 17 D HA 0.588 5.229 4.640 0.001 0.000 0.236 17 D C -0.103 176.118 176.300 -0.132 0.000 1.026 17 D CA -0.055 53.925 54.000 -0.032 0.000 0.884 17 D CB 1.775 42.663 40.800 0.147 0.000 1.384 17 D HN 0.714 nan 8.370 nan 0.000 0.477 18 G N 1.268 109.851 108.800 -0.362 0.000 2.664 18 G HA2 0.302 4.262 3.960 0.001 0.000 0.242 18 G HA3 0.302 4.262 3.960 0.001 0.000 0.242 18 G C -2.181 172.687 174.900 -0.053 0.000 1.225 18 G CA -0.791 43.989 45.100 -0.535 0.000 0.849 18 G HN 0.449 nan 8.290 nan 0.000 0.581 19 P HA 0.251 nan 4.420 nan 0.000 0.275 19 P C -0.997 176.488 177.300 0.308 0.000 1.228 19 P CA -0.185 63.025 63.100 0.183 0.000 0.786 19 P CB 1.071 32.876 31.700 0.175 0.000 0.927 20 K N 1.664 122.192 120.400 0.214 0.000 2.579 20 K HA 0.487 4.808 4.320 0.001 0.000 0.225 20 K C -1.122 175.541 176.600 0.105 0.000 0.992 20 K CA -0.532 55.849 56.287 0.157 0.000 1.018 20 K CB 1.284 33.849 32.500 0.109 0.000 1.249 20 K HN 0.168 nan 8.250 nan 0.000 0.489 21 V N 2.469 122.439 119.914 0.093 0.000 2.686 21 V HA 0.294 4.415 4.120 0.001 0.000 0.306 21 V C -0.319 175.791 176.094 0.027 0.000 1.065 21 V CA -1.103 61.234 62.300 0.063 0.000 0.894 21 V CB 1.909 33.771 31.823 0.065 0.000 1.004 21 V HN 0.556 nan 8.190 nan 0.000 0.424 22 K N 2.671 123.089 120.400 0.030 0.000 2.382 22 K HA 0.215 4.535 4.320 0.001 0.000 0.275 22 K C 0.082 176.665 176.600 -0.029 0.000 1.009 22 K CA -0.323 55.974 56.287 0.015 0.000 0.970 22 K CB 0.781 33.306 32.500 0.042 0.000 0.934 22 K HN 0.731 nan 8.250 nan 0.000 0.479 23 Q N 3.861 123.627 119.800 -0.058 0.000 2.300 23 Q HA 0.038 4.379 4.340 0.001 0.000 0.280 23 Q C -1.195 174.798 176.000 -0.010 0.000 1.033 23 Q CA 0.075 55.792 55.803 -0.143 0.000 0.903 23 Q CB 0.351 29.038 28.738 -0.085 0.000 1.195 23 Q HN 0.426 nan 8.270 nan 0.000 0.386 24 W N 4.350 125.673 121.300 0.039 0.000 2.253 24 W HA 0.621 5.281 4.660 0.001 0.000 0.348 24 W C -2.362 174.168 176.519 0.018 0.000 1.229 24 W CA -2.889 54.466 57.345 0.018 0.000 1.335 24 W CB -0.954 28.504 29.460 -0.003 0.000 1.165 24 W HN 0.515 nan 8.180 nan 0.000 0.631 25 P HA 0.054 nan 4.420 nan 0.000 0.271 25 P C -0.613 176.840 177.300 0.255 0.000 1.220 25 P CA 0.064 63.295 63.100 0.219 0.000 0.768 25 P CB 0.886 32.656 31.700 0.117 0.000 0.848 26 L N 3.050 124.390 121.223 0.195 0.000 2.334 26 L HA 0.308 4.649 4.340 0.001 0.000 0.275 26 L C 1.225 178.137 176.870 0.070 0.000 1.036 26 L CA -0.221 54.713 54.840 0.157 0.000 0.807 26 L CB 0.782 42.923 42.059 0.137 0.000 1.231 26 L HN 0.368 nan 8.230 nan 0.000 0.438 27 T N 1.350 115.930 114.554 0.044 0.000 2.779 27 T HA -0.110 4.240 4.350 0.001 0.000 0.348 27 T C 1.281 175.977 174.700 -0.005 0.000 1.090 27 T CA 0.266 62.374 62.100 0.015 0.000 1.111 27 T CB 0.755 69.627 68.868 0.008 0.000 1.026 27 T HN 0.655 nan 8.240 nan 0.000 0.547 28 E N 0.926 121.123 120.200 -0.005 0.000 2.046 28 E HA -0.116 4.235 4.350 0.001 0.000 0.190 28 E C 2.110 178.683 176.600 -0.045 0.000 0.982 28 E CA 1.650 58.042 56.400 -0.014 0.000 0.800 28 E CB -0.218 29.482 29.700 -0.000 0.000 0.756 28 E HN 0.760 nan 8.360 nan 0.000 0.449 29 E N 0.242 120.419 120.200 -0.038 0.000 2.086 29 E HA -0.294 4.057 4.350 0.001 0.000 0.200 29 E C 1.860 178.316 176.600 -0.240 0.000 1.012 29 E CA 1.697 58.061 56.400 -0.061 0.000 0.812 29 E CB -0.032 29.687 29.700 0.032 0.000 0.743 29 E HN 0.176 nan 8.360 nan 0.000 0.453 30 K N -0.088 120.136 120.400 -0.293 0.000 2.155 30 K HA -0.046 4.275 4.320 0.001 0.000 0.203 30 K C 2.165 178.585 176.600 -0.299 0.000 1.052 30 K CA 0.949 56.946 56.287 -0.484 0.000 0.948 30 K CB 0.023 32.343 32.500 -0.299 0.000 0.728 30 K HN 0.255 nan 8.250 nan 0.000 0.448 31 I N 1.345 121.826 120.570 -0.149 0.000 2.353 31 I HA -0.245 3.925 4.170 0.001 0.000 0.248 31 I C 2.315 178.379 176.117 -0.088 0.000 1.119 31 I CA 1.049 62.301 61.300 -0.079 0.000 1.417 31 I CB -0.234 37.749 38.000 -0.028 0.000 1.078 31 I HN 0.107 nan 8.210 nan 0.000 0.421 32 K N 2.392 122.730 120.400 -0.103 0.000 2.097 32 K HA -0.082 4.238 4.320 0.001 0.000 0.205 32 K C 1.990 178.527 176.600 -0.104 0.000 1.050 32 K CA 1.823 58.066 56.287 -0.074 0.000 0.938 32 K CB -0.425 32.045 32.500 -0.048 0.000 0.718 32 K HN 0.194 nan 8.250 nan 0.000 0.442 33 A N 0.998 123.681 122.820 -0.230 0.000 1.930 33 A HA 0.007 4.327 4.320 0.001 0.000 0.217 33 A C 2.212 179.705 177.584 -0.152 0.000 1.175 33 A CA 1.417 53.294 52.037 -0.266 0.000 0.627 33 A CB -0.601 17.927 19.000 -0.786 0.000 0.815 33 A HN 0.328 nan 8.150 nan 0.000 0.443 34 L N -0.219 120.914 121.223 -0.149 0.000 2.027 34 L HA -0.133 4.208 4.340 0.001 0.000 0.206 34 L C 2.724 179.577 176.870 -0.027 0.000 1.074 34 L CA 1.510 56.308 54.840 -0.070 0.000 0.745 34 L CB -0.650 41.387 42.059 -0.036 0.000 0.898 34 L HN 0.437 nan 8.230 nan 0.000 0.433 35 V N -2.065 117.844 119.914 -0.009 0.000 2.548 35 V HA -0.184 3.936 4.120 0.001 0.000 0.249 35 V C 2.367 178.458 176.094 -0.005 0.000 1.055 35 V CA 1.787 64.099 62.300 0.020 0.000 1.065 35 V CB -0.404 31.439 31.823 0.034 0.000 0.681 35 V HN 0.402 nan 8.190 nan 0.000 0.462 36 E N 1.365 121.558 120.200 -0.011 0.000 2.038 36 E HA -0.186 4.164 4.350 0.001 0.000 0.195 36 E C 1.928 178.522 176.600 -0.010 0.000 1.000 36 E CA 2.579 58.978 56.400 -0.002 0.000 0.803 36 E CB -0.647 29.060 29.700 0.011 0.000 0.750 36 E HN 0.710 nan 8.360 nan 0.000 0.448 37 I N -0.302 120.258 120.570 -0.016 0.000 2.226 37 I HA -0.302 3.869 4.170 0.001 0.000 0.245 37 I C 2.396 178.447 176.117 -0.111 0.000 1.100 37 I CA 0.904 62.187 61.300 -0.030 0.000 1.374 37 I CB -0.331 37.666 38.000 -0.005 0.000 1.057 37 I HN 0.254 nan 8.210 nan 0.000 0.413 38 C N 0.616 119.830 119.300 -0.144 0.000 2.446 38 C HA -0.100 4.361 4.460 0.001 0.000 0.279 38 C C 3.082 177.889 174.990 -0.306 0.000 1.366 38 C CA 1.679 60.509 59.018 -0.314 0.000 1.763 38 C CB -1.044 26.493 27.740 -0.338 0.000 1.929 38 C HN 0.628 nan 8.230 nan 0.000 0.509 39 T N -1.651 112.830 114.554 -0.123 0.000 3.014 39 T HA -0.081 4.269 4.350 0.001 0.000 0.263 39 T C 1.545 176.209 174.700 -0.061 0.000 1.078 39 T CA 1.474 63.541 62.100 -0.054 0.000 1.135 39 T CB -0.198 68.675 68.868 0.009 0.000 0.895 39 T HN 0.429 nan 8.240 nan 0.000 0.480 40 E N 1.338 121.501 120.200 -0.063 0.000 2.072 40 E HA 0.104 4.454 4.350 0.001 0.000 0.190 40 E C 2.170 178.728 176.600 -0.070 0.000 0.982 40 E CA 0.991 57.365 56.400 -0.043 0.000 0.803 40 E CB -0.545 29.145 29.700 -0.018 0.000 0.755 40 E HN 0.519 nan 8.360 nan 0.000 0.453 41 M N 0.305 119.827 119.600 -0.129 0.000 2.117 41 M HA -0.147 4.333 4.480 0.001 0.000 0.262 41 M C 2.281 178.478 176.300 -0.171 0.000 1.065 41 M CA 1.684 56.876 55.300 -0.180 0.000 1.114 41 M CB -0.255 32.149 32.600 -0.327 0.000 1.361 41 M HN 0.149 nan 8.290 nan 0.000 0.408 42 E N 0.868 120.951 120.200 -0.194 0.000 2.110 42 E HA -0.201 4.149 4.350 0.001 0.000 0.193 42 E C 1.696 178.266 176.600 -0.051 0.000 0.988 42 E CA 1.316 57.641 56.400 -0.126 0.000 0.804 42 E CB -0.004 29.648 29.700 -0.080 0.000 0.745 42 E HN 0.457 nan 8.360 nan 0.000 0.458 43 K N 0.133 120.509 120.400 -0.041 0.000 2.211 43 K HA -0.138 4.182 4.320 0.001 0.000 0.204 43 K C 1.755 178.345 176.600 -0.015 0.000 1.047 43 K CA 1.302 57.579 56.287 -0.017 0.000 0.935 43 K CB 0.018 32.511 32.500 -0.012 0.000 0.728 43 K HN 0.160 nan 8.250 nan 0.000 0.452 44 E N -0.988 119.197 120.200 -0.025 0.000 2.474 44 E HA 0.056 4.406 4.350 0.001 0.000 0.195 44 E C 0.483 177.077 176.600 -0.009 0.000 1.039 44 E CA 0.191 56.585 56.400 -0.010 0.000 0.881 44 E CB 0.809 30.508 29.700 -0.002 0.000 0.970 44 E HN 0.427 nan 8.360 nan 0.000 0.486 45 G N 2.109 110.894 108.800 -0.024 0.000 2.147 45 G HA2 -0.334 3.627 3.960 0.001 0.000 0.244 45 G HA3 -0.334 3.627 3.960 0.001 0.000 0.244 45 G C 0.798 175.684 174.900 -0.023 0.000 1.005 45 G CA 0.593 45.684 45.100 -0.016 0.000 0.713 45 G HN 0.229 nan 8.290 nan 0.000 0.515 46 K N -0.463 119.900 120.400 -0.061 0.000 2.243 46 K HA 0.296 4.616 4.320 0.001 0.000 0.201 46 K C 1.447 177.952 176.600 -0.158 0.000 1.051 46 K CA 1.273 57.512 56.287 -0.081 0.000 0.970 46 K CB 0.302 32.732 32.500 -0.118 0.000 0.755 46 K HN 0.802 nan 8.250 nan 0.000 0.465 47 I N -1.873 118.573 120.570 -0.206 0.000 2.828 47 I HA 0.401 4.572 4.170 0.001 0.000 0.302 47 I C -1.032 175.045 176.117 -0.067 0.000 1.101 47 I CA -0.986 60.195 61.300 -0.198 0.000 1.031 47 I CB 2.488 40.255 38.000 -0.389 0.000 1.231 47 I HN -0.195 nan 8.210 nan 0.000 0.427 48 S N 2.522 118.236 115.700 0.022 0.000 2.547 48 S HA 0.519 4.989 4.470 0.001 0.000 0.281 48 S C -0.844 173.809 174.600 0.088 0.000 1.118 48 S CA -1.153 57.087 58.200 0.066 0.000 0.947 48 S CB 1.631 64.845 63.200 0.023 0.000 1.053 48 S HN 0.715 nan 8.310 nan 0.000 0.482 49 K N 2.226 122.664 120.400 0.063 0.000 2.485 49 K HA 0.310 4.630 4.320 0.001 0.000 0.277 49 K C 0.216 176.753 176.600 -0.104 0.000 0.990 49 K CA 0.084 56.304 56.287 -0.112 0.000 0.994 49 K CB -0.043 32.355 32.500 -0.171 0.000 0.906 49 K HN 0.752 nan 8.250 nan 0.000 0.488 50 I N -2.151 118.327 120.570 -0.152 0.000 3.023 50 I HA 0.702 4.872 4.170 0.001 0.000 0.312 50 I C 0.181 176.221 176.117 -0.128 0.000 1.056 50 I CA -0.962 60.271 61.300 -0.112 0.000 1.033 50 I CB 2.087 40.033 38.000 -0.090 0.000 1.233 50 I HN 0.591 nan 8.210 nan 0.000 0.462 51 G N 0.928 109.669 108.800 -0.099 0.000 3.217 51 G HA2 0.545 4.506 3.960 0.001 0.000 0.213 51 G HA3 0.545 4.506 3.960 0.001 0.000 0.213 51 G C -2.307 172.539 174.900 -0.090 0.000 1.294 51 G CA -0.945 44.097 45.100 -0.097 0.000 0.987 51 G HN 0.527 nan 8.290 nan 0.000 0.584 52 P HA 0.042 nan 4.420 nan 0.000 0.239 52 P C 0.513 177.762 177.300 -0.085 0.000 1.184 52 P CA 0.686 63.736 63.100 -0.082 0.000 0.760 52 P CB 0.276 31.933 31.700 -0.071 0.000 0.884 53 E N 0.251 120.404 120.200 -0.078 0.000 2.106 53 E HA -0.133 4.218 4.350 0.001 0.000 0.192 53 E C 0.838 177.376 176.600 -0.103 0.000 0.984 53 E CA 0.708 57.061 56.400 -0.079 0.000 0.806 53 E CB -1.098 28.565 29.700 -0.061 0.000 0.750 53 E HN 0.332 nan 8.360 nan 0.000 0.458 54 N N 1.899 120.542 118.700 -0.096 0.000 2.439 54 N HA 0.068 4.809 4.740 0.001 0.000 0.243 54 N C -1.851 173.556 175.510 -0.172 0.000 1.088 54 N CA -1.228 51.764 53.050 -0.096 0.000 0.940 54 N CB 0.931 39.402 38.487 -0.026 0.000 1.180 54 N HN -0.053 nan 8.380 nan 0.000 0.505 55 P HA -0.074 nan 4.420 nan 0.000 0.236 55 P C -0.647 176.449 177.300 -0.340 0.000 1.177 55 P CA 0.754 63.608 63.100 -0.410 0.000 0.773 55 P CB 0.195 31.552 31.700 -0.573 0.000 0.878 56 Y N 0.673 120.978 120.300 0.009 0.000 2.374 56 Y HA 0.523 5.073 4.550 0.001 0.000 0.322 56 Y C 0.936 176.865 175.900 0.048 0.000 1.275 56 Y CA -0.529 57.597 58.100 0.045 0.000 1.307 56 Y CB 0.464 38.969 38.460 0.075 0.000 1.282 56 Y HN -0.125 nan 8.280 nan 0.000 0.509 57 N N -1.215 117.638 118.700 0.255 0.000 2.815 57 N HA 0.536 5.276 4.740 0.001 0.000 0.253 57 N C -2.083 173.518 175.510 0.153 0.000 1.202 57 N CA -0.489 52.664 53.050 0.171 0.000 0.925 57 N CB 1.532 40.070 38.487 0.084 0.000 1.622 57 N HN 0.607 nan 8.380 nan 0.000 0.497 58 T N 1.763 116.385 114.554 0.113 0.000 2.933 58 T HA 0.530 4.880 4.350 0.001 0.000 0.305 58 T C -2.956 171.648 174.700 -0.160 0.000 1.092 58 T CA -0.920 61.182 62.100 0.003 0.000 1.008 58 T CB 2.048 70.941 68.868 0.042 0.000 1.102 58 T HN 0.247 nan 8.240 nan 0.000 0.469 59 P HA 0.408 nan 4.420 nan 0.000 0.275 59 P C -0.821 176.169 177.300 -0.517 0.000 1.228 59 P CA -0.552 62.175 63.100 -0.622 0.000 0.786 59 P CB 0.589 31.521 31.700 -1.279 0.000 0.927 60 V N 0.534 120.214 119.914 -0.390 0.000 2.876 60 V HA 0.897 5.017 4.120 0.001 0.000 0.312 60 V C -0.921 175.250 176.094 0.129 0.000 1.085 60 V CA -0.857 61.343 62.300 -0.167 0.000 0.945 60 V CB 1.568 33.264 31.823 -0.212 0.000 1.017 60 V HN 0.563 nan 8.190 nan 0.000 0.428 61 F N 1.215 121.175 119.950 0.016 0.000 2.869 61 F HA 1.078 5.605 4.527 0.001 0.000 0.325 61 F C -0.376 175.479 175.800 0.092 0.000 1.184 61 F CA -0.961 57.122 58.000 0.139 0.000 0.951 61 F CB 0.991 40.202 39.000 0.351 0.000 1.421 61 F HN 1.018 nan 8.300 nan 0.000 0.501 62 A N 0.800 123.768 122.820 0.246 0.000 2.556 62 A HA 0.900 5.220 4.320 0.001 0.000 0.294 62 A C -1.272 176.609 177.584 0.495 0.000 1.091 62 A CA -0.577 51.575 52.037 0.192 0.000 0.704 62 A CB 1.717 20.750 19.000 0.054 0.000 1.300 62 A HN 1.370 nan 8.150 nan 0.000 0.406 63 I N -2.108 118.787 120.570 0.541 0.000 2.994 63 I HA 0.583 4.754 4.170 0.001 0.000 0.306 63 I C -0.705 175.528 176.117 0.193 0.000 1.195 63 I CA -1.047 60.539 61.300 0.477 0.000 1.001 63 I CB 2.110 40.266 38.000 0.259 0.000 1.244 63 I HN 0.559 nan 8.210 nan 0.000 0.437 64 K N 2.642 122.883 120.400 -0.266 0.000 2.202 64 K HA 0.350 4.670 4.320 0.001 0.000 0.264 64 K C -0.215 176.249 176.600 -0.227 0.000 1.010 64 K CA -0.569 55.411 56.287 -0.512 0.000 0.940 64 K CB 1.039 33.133 32.500 -0.676 0.000 0.983 64 K HN 0.504 nan 8.250 nan 0.000 0.475 65 K N 1.325 121.599 120.400 -0.210 0.000 2.488 65 K HA 0.053 4.373 4.320 0.001 0.000 0.255 65 K C 1.044 177.566 176.600 -0.130 0.000 1.036 65 K CA -0.459 55.748 56.287 -0.134 0.000 0.990 65 K CB 0.308 32.743 32.500 -0.108 0.000 1.304 65 K HN 0.296 nan 8.250 nan 0.000 0.505 66 K N 1.660 122.000 120.400 -0.100 0.000 2.103 66 K HA -0.182 4.138 4.320 0.001 0.000 0.207 66 K C 1.421 177.971 176.600 -0.083 0.000 1.048 66 K CA 2.177 58.413 56.287 -0.085 0.000 0.930 66 K CB -0.293 32.168 32.500 -0.065 0.000 0.716 66 K HN 0.658 nan 8.250 nan 0.000 0.444 67 D N -0.821 119.528 120.400 -0.083 0.000 2.363 67 D HA -0.068 4.573 4.640 0.001 0.000 0.226 67 D C 0.674 176.909 176.300 -0.109 0.000 1.020 67 D CA 1.046 54.998 54.000 -0.079 0.000 0.892 67 D CB 0.036 40.797 40.800 -0.065 0.000 0.900 67 D HN 0.218 nan 8.370 nan 0.000 0.531 68 S N -1.746 113.864 115.700 -0.150 0.000 2.884 68 S HA -0.292 4.179 4.470 0.001 0.000 0.274 68 S C 1.316 175.766 174.600 -0.250 0.000 1.308 68 S CA 2.019 60.095 58.200 -0.207 0.000 1.340 68 S CB -1.843 61.266 63.200 -0.152 0.000 1.657 68 S HN 0.573 nan 8.310 nan 0.000 0.699 69 T N 2.009 116.452 114.554 -0.185 0.000 2.814 69 T HA 0.079 4.430 4.350 0.001 0.000 0.254 69 T C 0.838 175.409 174.700 -0.215 0.000 1.037 69 T CA 0.824 62.827 62.100 -0.161 0.000 1.143 69 T CB -0.037 68.783 68.868 -0.080 0.000 0.866 69 T HN 0.400 nan 8.240 nan 0.000 0.431 70 K N 0.525 120.821 120.400 -0.173 0.000 2.126 70 K HA 0.261 4.581 4.320 0.001 0.000 0.257 70 K C -1.064 175.423 176.600 -0.188 0.000 1.007 70 K CA -0.220 56.008 56.287 -0.097 0.000 0.928 70 K CB 0.785 33.267 32.500 -0.030 0.000 1.013 70 K HN 0.277 nan 8.250 nan 0.000 0.473 71 W N 0.909 122.212 121.300 0.005 0.000 2.551 71 W HA 0.338 4.999 4.660 0.001 0.000 0.330 71 W C 0.465 176.982 176.519 -0.004 0.000 1.063 71 W CA -0.697 56.652 57.345 0.006 0.000 1.222 71 W CB 1.259 30.731 29.460 0.020 0.000 1.349 71 W HN 0.373 nan 8.180 nan 0.000 0.536 72 R N 3.575 124.233 120.500 0.263 0.000 2.255 72 R HA 0.248 4.589 4.340 0.001 0.000 0.326 72 R C -0.257 176.108 176.300 0.107 0.000 0.986 72 R CA -0.734 55.437 56.100 0.118 0.000 0.847 72 R CB 0.744 31.046 30.300 0.003 0.000 1.111 72 R HN 0.452 nan 8.270 nan 0.000 0.452 73 K N 6.187 126.647 120.400 0.100 0.000 2.310 73 K HA 0.123 4.444 4.320 0.001 0.000 0.290 73 K C -0.636 175.917 176.600 -0.079 0.000 1.077 73 K CA -0.443 55.859 56.287 0.025 0.000 0.922 73 K CB 0.464 33.022 32.500 0.097 0.000 1.057 73 K HN 0.347 nan 8.250 nan 0.000 0.479 74 L N 3.657 124.667 121.223 -0.354 0.000 2.397 74 L HA 0.571 4.912 4.340 0.001 0.000 0.266 74 L C -0.219 176.319 176.870 -0.553 0.000 1.040 74 L CA -1.116 53.408 54.840 -0.526 0.000 0.800 74 L CB 1.470 42.938 42.059 -0.985 0.000 1.324 74 L HN 0.395 nan 8.230 nan 0.000 0.469 75 V N 0.112 119.749 119.914 -0.462 0.000 2.711 75 V HA 0.197 4.317 4.120 0.001 0.000 0.304 75 V C -0.909 175.036 176.094 -0.248 0.000 1.097 75 V CA -0.873 61.130 62.300 -0.494 0.000 0.906 75 V CB 2.083 33.369 31.823 -0.895 0.000 1.015 75 V HN 0.693 nan 8.190 nan 0.000 0.427 76 D N 3.553 123.935 120.400 -0.030 0.000 2.551 76 D HA 0.183 4.824 4.640 0.001 0.000 0.223 76 D C 0.271 176.611 176.300 0.067 0.000 1.144 76 D CA -0.129 53.987 54.000 0.192 0.000 1.025 76 D CB 0.009 41.031 40.800 0.370 0.000 1.085 76 D HN 0.335 nan 8.370 nan 0.000 0.506 77 F N 1.629 121.674 119.950 0.160 0.000 2.696 77 F HA 0.219 4.746 4.527 0.001 0.000 0.296 77 F C 1.978 177.880 175.800 0.169 0.000 1.181 77 F CA -0.198 57.895 58.000 0.154 0.000 1.411 77 F CB -0.080 39.040 39.000 0.200 0.000 1.014 77 F HN 0.216 nan 8.300 nan 0.000 0.512 78 R N -0.157 120.528 120.500 0.309 0.000 2.117 78 R HA -0.226 4.115 4.340 0.001 0.000 0.243 78 R C 2.028 178.453 176.300 0.209 0.000 1.143 78 R CA 1.614 57.854 56.100 0.232 0.000 0.968 78 R CB -0.165 30.249 30.300 0.189 0.000 0.863 78 R HN 0.188 nan 8.270 nan 0.000 0.444 79 E N 0.969 121.298 120.200 0.214 0.000 2.046 79 E HA -0.147 4.204 4.350 0.001 0.000 0.190 79 E C 1.733 178.433 176.600 0.167 0.000 0.982 79 E CA 0.844 57.346 56.400 0.170 0.000 0.800 79 E CB -0.207 29.587 29.700 0.157 0.000 0.756 79 E HN 0.130 nan 8.360 nan 0.000 0.449 80 L N 1.021 122.379 121.223 0.225 0.000 2.027 80 L HA -0.100 4.241 4.340 0.001 0.000 0.206 80 L C 1.566 178.562 176.870 0.208 0.000 1.074 80 L CA 1.811 56.744 54.840 0.156 0.000 0.745 80 L CB -1.034 41.082 42.059 0.096 0.000 0.898 80 L HN 0.086 nan 8.230 nan 0.000 0.433 81 N N 0.422 119.291 118.700 0.282 0.000 2.094 81 N HA -0.277 4.463 4.740 0.001 0.000 0.191 81 N C 1.885 177.493 175.510 0.164 0.000 1.023 81 N CA 1.668 54.866 53.050 0.247 0.000 0.857 81 N CB -0.356 38.256 38.487 0.208 0.000 1.013 81 N HN 0.373 nan 8.380 nan 0.000 0.426 82 K N 0.703 121.186 120.400 0.138 0.000 2.211 82 K HA 0.004 4.325 4.320 0.001 0.000 0.204 82 K C 1.254 177.901 176.600 0.079 0.000 1.047 82 K CA 1.038 57.383 56.287 0.096 0.000 0.935 82 K CB 0.197 32.751 32.500 0.089 0.000 0.728 82 K HN 0.180 nan 8.250 nan 0.000 0.452 83 R N -0.631 119.918 120.500 0.083 0.000 2.472 83 R HA 0.126 4.466 4.340 0.001 0.000 0.279 83 R C -0.280 176.057 176.300 0.063 0.000 0.953 83 R CA 0.008 56.133 56.100 0.040 0.000 1.088 83 R CB 1.063 31.354 30.300 -0.015 0.000 1.197 83 R HN -0.017 nan 8.270 nan 0.000 0.536 84 T N 2.443 117.089 114.554 0.154 0.000 2.909 84 T HA 0.090 4.441 4.350 0.001 0.000 0.286 84 T C 0.214 174.980 174.700 0.110 0.000 1.002 84 T CA -0.605 61.640 62.100 0.243 0.000 1.074 84 T CB 1.477 70.627 68.868 0.471 0.000 0.984 84 T HN 0.225 nan 8.240 nan 0.000 0.495 85 Q N 1.913 121.731 119.800 0.030 0.000 2.450 85 Q HA 0.044 4.385 4.340 0.001 0.000 0.294 85 Q C -0.766 175.095 176.000 -0.231 0.000 1.129 85 Q CA -0.159 55.568 55.803 -0.127 0.000 0.970 85 Q CB 0.287 28.887 28.738 -0.230 0.000 1.294 85 Q HN 0.409 nan 8.270 nan 0.000 0.453 86 D N 0.547 120.821 120.400 -0.210 0.000 2.339 86 D HA 0.289 4.929 4.640 0.001 0.000 0.245 86 D C -0.857 175.213 176.300 -0.383 0.000 1.115 86 D CA 0.105 54.017 54.000 -0.148 0.000 0.917 86 D CB 0.397 41.175 40.800 -0.038 0.000 1.192 86 D HN 0.350 nan 8.370 nan 0.000 0.428 87 F N 0.108 120.015 119.950 -0.072 0.000 2.546 87 F HA 0.264 4.792 4.527 0.001 0.000 0.320 87 F C 0.211 176.018 175.800 0.011 0.000 1.076 87 F CA -1.192 56.775 58.000 -0.056 0.000 0.928 87 F CB 1.286 40.189 39.000 -0.160 0.000 1.189 87 F HN 0.225 nan 8.300 nan 0.000 0.465 88 W N 4.637 125.990 121.300 0.088 0.000 2.388 88 W HA 0.206 4.867 4.660 0.001 0.000 0.308 88 W C -0.362 176.182 176.519 0.042 0.000 1.263 88 W CA -0.437 56.934 57.345 0.043 0.000 1.286 88 W CB 0.736 30.203 29.460 0.011 0.000 1.294 88 W HN 0.528 nan 8.180 nan 0.000 0.493 89 E N 2.949 122.820 120.200 -0.549 0.000 2.404 89 E HA 0.002 4.352 4.350 0.001 0.000 0.261 89 E C 0.794 177.193 176.600 -0.336 0.000 1.074 89 E CA 0.136 56.304 56.400 -0.385 0.000 0.917 89 E CB 1.910 31.372 29.700 -0.397 0.000 0.965 89 E HN 0.497 nan 8.360 nan 0.000 0.433 90 V N -1.050 118.780 119.914 -0.140 0.000 3.398 90 V HA 0.142 4.263 4.120 0.001 0.000 0.298 90 V C 0.482 176.553 176.094 -0.039 0.000 1.496 90 V CA -0.339 61.947 62.300 -0.023 0.000 1.044 90 V CB 0.416 32.253 31.823 0.023 0.000 0.880 90 V HN 0.363 nan 8.190 nan 0.000 0.443 91 Q N 1.144 120.893 119.800 -0.085 0.000 2.369 91 Q HA 0.414 4.754 4.340 0.001 0.000 0.247 91 Q C 0.374 176.351 176.000 -0.038 0.000 1.083 91 Q CA -0.021 55.745 55.803 -0.062 0.000 0.905 91 Q CB 1.111 29.787 28.738 -0.103 0.000 1.305 91 Q HN 0.426 nan 8.270 nan 0.000 0.465 92 L N 2.747 123.972 121.223 0.003 0.000 2.599 92 L HA 0.414 4.755 4.340 0.001 0.000 0.230 92 L C 0.951 177.837 176.870 0.028 0.000 1.141 92 L CA 1.089 55.939 54.840 0.016 0.000 0.877 92 L CB -0.431 41.653 42.059 0.042 0.000 1.009 92 L HN 0.787 nan 8.230 nan 0.000 0.447 93 G N -1.368 107.463 108.800 0.053 0.000 2.352 93 G HA2 0.242 4.203 3.960 0.001 0.000 0.283 93 G HA3 0.242 4.203 3.960 0.001 0.000 0.283 93 G C -1.736 173.247 174.900 0.139 0.000 1.308 93 G CA -0.834 44.312 45.100 0.076 0.000 0.892 93 G HN -0.215 nan 8.290 nan 0.000 0.504 94 I N 2.402 123.041 120.570 0.115 0.000 2.410 94 I HA 0.388 4.558 4.170 0.001 0.000 0.286 94 I C -1.851 174.304 176.117 0.064 0.000 1.009 94 I CA -2.514 58.851 61.300 0.108 0.000 1.111 94 I CB 0.632 38.666 38.000 0.056 0.000 1.262 94 I HN 0.363 nan 8.210 nan 0.000 0.443 95 P HA 0.090 nan 4.420 nan 0.000 0.266 95 P C -0.560 176.750 177.300 0.016 0.000 1.195 95 P CA 0.321 63.520 63.100 0.166 0.000 0.768 95 P CB 1.088 33.041 31.700 0.422 0.000 0.838 96 H N 3.648 122.648 119.070 -0.117 0.000 2.524 96 H HA 0.202 4.759 4.556 0.001 0.000 0.353 96 H C -1.704 173.367 175.328 -0.428 0.000 1.136 96 H CA -2.064 53.799 56.048 -0.310 0.000 1.193 96 H CB 2.484 32.038 29.762 -0.347 0.000 1.558 96 H HN 0.167 nan 8.280 nan 0.000 0.515 97 P HA -0.139 nan 4.420 nan 0.000 0.217 97 P C 0.961 177.940 177.300 -0.536 0.000 1.148 97 P CA 1.435 64.010 63.100 -0.875 0.000 0.828 97 P CB 0.045 30.622 31.700 -1.872 0.000 0.783 98 A N -0.184 122.497 122.820 -0.231 0.000 2.172 98 A HA 0.085 4.405 4.320 0.001 0.000 0.216 98 A C 2.373 180.132 177.584 0.291 0.000 1.154 98 A CA 1.450 53.614 52.037 0.212 0.000 0.701 98 A CB -1.488 17.743 19.000 0.384 0.000 0.789 98 A HN 0.333 nan 8.150 nan 0.000 0.465 99 G N -1.005 107.792 108.800 -0.005 0.000 2.603 99 G HA2 0.302 4.263 3.960 0.001 0.000 0.214 99 G HA3 0.302 4.263 3.960 0.001 0.000 0.214 99 G C 0.411 175.387 174.900 0.126 0.000 1.140 99 G CA -0.188 44.890 45.100 -0.036 0.000 0.800 99 G HN 0.271 nan 8.290 nan 0.000 0.533 100 L N 2.048 123.253 121.223 -0.029 0.000 2.490 100 L HA 0.227 4.568 4.340 0.001 0.000 0.274 100 L C 0.678 177.652 176.870 0.172 0.000 1.201 100 L CA -0.166 54.609 54.840 -0.109 0.000 0.869 100 L CB 0.567 42.374 42.059 -0.421 0.000 1.123 100 L HN 0.262 nan 8.230 nan 0.000 0.484 101 K N 2.546 123.030 120.400 0.140 0.000 2.139 101 K HA 0.395 4.715 4.320 0.001 0.000 0.243 101 K C -0.364 176.232 176.600 -0.005 0.000 0.983 101 K CA -1.085 55.288 56.287 0.142 0.000 0.890 101 K CB 1.108 33.683 32.500 0.124 0.000 1.090 101 K HN 0.196 nan 8.250 nan 0.000 0.445 102 K N 1.250 121.655 120.400 0.008 0.000 2.448 102 K HA 0.058 4.379 4.320 0.001 0.000 0.278 102 K C -0.261 176.292 176.600 -0.078 0.000 1.009 102 K CA 0.428 56.672 56.287 -0.072 0.000 0.995 102 K CB 0.468 32.980 32.500 0.021 0.000 0.917 102 K HN 0.320 nan 8.250 nan 0.000 0.481 103 K N 2.486 122.806 120.400 -0.134 0.000 2.328 103 K HA 0.137 4.458 4.320 0.001 0.000 0.246 103 K C 0.326 176.848 176.600 -0.129 0.000 0.955 103 K CA -0.693 55.525 56.287 -0.115 0.000 0.817 103 K CB 1.793 34.206 32.500 -0.145 0.000 1.208 103 K HN 0.311 nan 8.250 nan 0.000 0.432 104 K N 0.245 120.578 120.400 -0.111 0.000 2.155 104 K HA 0.042 4.362 4.320 0.001 0.000 0.203 104 K C -0.045 176.452 176.600 -0.171 0.000 1.052 104 K CA 1.082 57.307 56.287 -0.103 0.000 0.948 104 K CB 0.357 32.817 32.500 -0.067 0.000 0.728 104 K HN 0.438 nan 8.250 nan 0.000 0.448 105 S N -0.629 114.887 115.700 -0.306 0.000 2.549 105 S HA 0.565 5.036 4.470 0.001 0.000 0.280 105 S C -1.589 172.579 174.600 -0.720 0.000 1.109 105 S CA -0.965 56.905 58.200 -0.551 0.000 0.905 105 S CB 2.547 65.226 63.200 -0.869 0.000 1.081 105 S HN -0.106 nan 8.310 nan 0.000 0.477 106 V N 1.967 121.503 119.914 -0.631 0.000 2.760 106 V HA 0.712 4.833 4.120 0.001 0.000 0.309 106 V C -0.644 175.110 176.094 -0.566 0.000 1.077 106 V CA -0.477 61.374 62.300 -0.747 0.000 0.910 106 V CB 2.446 33.628 31.823 -1.069 0.000 1.008 106 V HN 0.968 nan 8.190 nan 0.000 0.424 107 T N 3.022 117.294 114.554 -0.471 0.000 2.900 107 T HA 0.700 5.050 4.350 0.001 0.000 0.295 107 T C -0.994 173.555 174.700 -0.251 0.000 1.044 107 T CA -0.538 61.490 62.100 -0.119 0.000 0.995 107 T CB 2.068 70.984 68.868 0.079 0.000 1.072 107 T HN 0.358 nan 8.240 nan 0.000 0.473 108 V N 3.675 123.620 119.914 0.052 0.000 2.487 108 V HA 0.569 4.689 4.120 0.001 0.000 0.298 108 V C -0.677 175.571 176.094 0.258 0.000 1.028 108 V CA -0.749 61.617 62.300 0.109 0.000 0.860 108 V CB 1.516 33.375 31.823 0.060 0.000 0.991 108 V HN 0.682 nan 8.190 nan 0.000 0.427 109 L N 3.474 124.815 121.223 0.197 0.000 2.354 109 L HA 0.727 5.068 4.340 0.001 0.000 0.269 109 L C -1.052 175.934 176.870 0.193 0.000 1.005 109 L CA -0.558 54.388 54.840 0.176 0.000 0.819 109 L CB 2.368 44.489 42.059 0.104 0.000 1.311 109 L HN 0.609 nan 8.230 nan 0.000 0.423 110 D N 0.439 120.936 120.400 0.161 0.000 2.575 110 D HA 0.535 5.176 4.640 0.001 0.000 0.236 110 D C -1.230 175.134 176.300 0.108 0.000 1.075 110 D CA -0.307 53.778 54.000 0.142 0.000 0.860 110 D CB 2.653 43.529 40.800 0.127 0.000 1.475 110 D HN 0.080 nan 8.370 nan 0.000 0.474 111 V N 1.786 121.763 119.914 0.105 0.000 2.539 111 V HA 0.641 4.761 4.120 0.001 0.000 0.292 111 V C 1.093 177.224 176.094 0.063 0.000 1.045 111 V CA -0.554 61.807 62.300 0.103 0.000 0.945 111 V CB 1.618 33.539 31.823 0.163 0.000 0.993 111 V HN 0.718 nan 8.190 nan 0.000 0.464 112 G N 1.706 110.547 108.800 0.067 0.000 2.343 112 G HA2 0.259 4.219 3.960 0.001 0.000 0.254 112 G HA3 0.259 4.219 3.960 0.001 0.000 0.254 112 G C 0.236 175.161 174.900 0.041 0.000 1.277 112 G CA -0.070 45.060 45.100 0.050 0.000 0.909 112 G HN 0.910 nan 8.290 nan 0.000 0.502 113 D N 1.090 121.481 120.400 -0.014 0.000 2.733 113 D HA -0.309 4.332 4.640 0.001 0.000 0.232 113 D C 1.860 178.099 176.300 -0.103 0.000 1.161 113 D CA 0.964 54.922 54.000 -0.070 0.000 0.653 113 D CB -0.829 40.040 40.800 0.116 0.000 1.052 113 D HN 0.712 nan 8.370 nan 0.000 0.424 114 A N 0.045 122.797 122.820 -0.115 0.000 1.887 114 A HA -0.341 3.980 4.320 0.001 0.000 0.225 114 A C 1.814 179.441 177.584 0.072 0.000 1.464 114 A CA 2.178 54.191 52.037 -0.040 0.000 0.717 114 A CB -1.036 17.765 19.000 -0.332 0.000 0.848 114 A HN 0.409 nan 8.150 nan 0.000 0.477 115 Y N -1.218 118.827 120.300 -0.426 0.000 2.139 115 Y HA -0.216 4.335 4.550 0.001 0.000 0.282 115 Y C 2.156 178.167 175.900 0.186 0.000 1.179 115 Y CA 1.238 59.235 58.100 -0.170 0.000 1.161 115 Y CB -0.958 37.321 38.460 -0.302 0.000 0.970 115 Y HN 0.374 nan 8.280 nan 0.000 0.511 116 F N -1.395 118.701 119.950 0.244 0.000 2.771 116 F HA -0.002 4.525 4.527 0.001 0.000 0.299 116 F C 2.022 177.925 175.800 0.173 0.000 1.177 116 F CA 0.318 58.439 58.000 0.200 0.000 1.450 116 F CB -0.884 38.199 39.000 0.138 0.000 1.114 116 F HN -0.130 nan 8.300 nan 0.000 0.587 117 S N -0.928 114.986 115.700 0.356 0.000 2.540 117 S HA 0.201 4.672 4.470 0.001 0.000 0.218 117 S C 0.441 175.196 174.600 0.258 0.000 0.977 117 S CA 0.003 58.367 58.200 0.272 0.000 0.918 117 S CB 0.409 63.755 63.200 0.242 0.000 0.806 117 S HN -0.115 nan 8.310 nan 0.000 0.496 118 V N 4.736 124.826 119.914 0.294 0.000 2.417 118 V HA 0.398 4.518 4.120 0.001 0.000 0.291 118 V C -2.414 173.801 176.094 0.202 0.000 1.024 118 V CA -2.277 60.161 62.300 0.231 0.000 0.861 118 V CB 1.679 33.652 31.823 0.250 0.000 0.985 118 V HN 0.077 nan 8.190 nan 0.000 0.436 119 P HA 0.228 nan 4.420 nan 0.000 0.275 119 P C -0.787 176.594 177.300 0.134 0.000 1.228 119 P CA -0.372 62.812 63.100 0.141 0.000 0.786 119 P CB 1.430 33.200 31.700 0.115 0.000 0.927 120 L N 2.353 123.657 121.223 0.136 0.000 2.343 120 L HA 0.386 4.727 4.340 0.001 0.000 0.275 120 L C 0.232 177.163 176.870 0.101 0.000 1.056 120 L CA -0.529 54.380 54.840 0.115 0.000 0.804 120 L CB 0.405 42.527 42.059 0.106 0.000 1.203 120 L HN 0.285 nan 8.230 nan 0.000 0.440 121 D N 2.633 123.089 120.400 0.093 0.000 2.586 121 D HA -0.145 4.495 4.640 0.001 0.000 0.234 121 D C 0.951 177.324 176.300 0.121 0.000 1.132 121 D CA 0.768 54.831 54.000 0.106 0.000 0.860 121 D CB 0.839 41.707 40.800 0.113 0.000 1.159 121 D HN 0.786 nan 8.370 nan 0.000 0.490 122 E N 2.596 122.854 120.200 0.096 0.000 2.049 122 E HA -0.235 4.115 4.350 0.001 0.000 0.198 122 E C 0.976 177.622 176.600 0.077 0.000 1.007 122 E CA 1.651 58.097 56.400 0.077 0.000 0.809 122 E CB 0.182 29.918 29.700 0.059 0.000 0.749 122 E HN 0.517 nan 8.360 nan 0.000 0.450 123 D N -0.816 119.645 120.400 0.101 0.000 2.310 123 D HA -0.134 4.506 4.640 0.001 0.000 0.212 123 D C 1.287 177.655 176.300 0.114 0.000 0.965 123 D CA 0.634 54.689 54.000 0.092 0.000 0.879 123 D CB -0.049 40.824 40.800 0.122 0.000 0.921 123 D HN 0.232 nan 8.370 nan 0.000 0.510 124 F N 0.838 120.789 119.950 0.002 0.000 2.714 124 F HA 0.153 4.681 4.527 0.001 0.000 0.294 124 F C 2.139 177.872 175.800 -0.110 0.000 1.120 124 F CA -0.064 57.954 58.000 0.031 0.000 1.398 124 F CB 0.256 39.274 39.000 0.029 0.000 1.120 124 F HN -0.292 nan 8.300 nan 0.000 0.589 125 R N 1.036 121.574 120.500 0.063 0.000 2.133 125 R HA -0.246 4.094 4.340 0.001 0.000 0.247 125 R C 2.186 178.428 176.300 -0.098 0.000 1.151 125 R CA 2.172 58.288 56.100 0.026 0.000 0.971 125 R CB -0.362 29.966 30.300 0.046 0.000 0.866 125 R HN 0.386 nan 8.270 nan 0.000 0.447 126 K N -0.711 119.512 120.400 -0.294 0.000 2.147 126 K HA -0.171 4.149 4.320 0.001 0.000 0.205 126 K C 1.146 177.533 176.600 -0.355 0.000 1.049 126 K CA 1.597 57.690 56.287 -0.322 0.000 0.936 126 K CB -0.307 31.934 32.500 -0.431 0.000 0.722 126 K HN 0.212 nan 8.250 nan 0.000 0.446 127 Y N 2.324 122.381 120.300 -0.404 0.000 2.561 127 Y HA -0.015 4.536 4.550 0.001 0.000 0.291 127 Y C 1.955 177.695 175.900 -0.265 0.000 1.141 127 Y CA 0.993 58.733 58.100 -0.600 0.000 1.303 127 Y CB -0.368 37.475 38.460 -1.028 0.000 1.015 127 Y HN 0.286 nan 8.280 nan 0.000 0.547 128 T N -2.343 112.223 114.554 0.020 0.000 3.188 128 T HA 0.471 4.822 4.350 0.001 0.000 0.250 128 T C 0.839 175.849 174.700 0.515 0.000 1.077 128 T CA -0.053 62.227 62.100 0.299 0.000 0.967 128 T CB -0.638 68.382 68.868 0.254 0.000 1.006 128 T HN 0.213 nan 8.240 nan 0.000 0.552 129 A N 1.867 124.890 122.820 0.338 0.000 2.566 129 A HA 0.504 4.824 4.320 0.001 0.000 0.245 129 A C 0.082 177.891 177.584 0.375 0.000 1.056 129 A CA -0.361 51.850 52.037 0.289 0.000 0.757 129 A CB -0.660 18.463 19.000 0.205 0.000 0.979 129 A HN 0.745 nan 8.150 nan 0.000 0.508 130 F N 0.269 120.304 119.950 0.143 0.000 2.814 130 F HA 0.908 5.436 4.527 0.001 0.000 0.353 130 F C -0.225 175.606 175.800 0.052 0.000 1.177 130 F CA -0.635 57.409 58.000 0.073 0.000 1.036 130 F CB 1.419 40.457 39.000 0.063 0.000 1.455 130 F HN 0.508 nan 8.300 nan 0.000 0.520 131 T N 1.688 116.281 114.554 0.065 0.000 3.483 131 T HA 0.487 4.838 4.350 0.001 0.000 0.329 131 T C -1.826 172.922 174.700 0.080 0.000 1.014 131 T CA -0.530 61.525 62.100 -0.075 0.000 1.056 131 T CB 0.419 69.244 68.868 -0.071 0.000 1.090 131 T HN 0.624 nan 8.240 nan 0.000 0.460 132 I N 8.011 128.633 120.570 0.088 0.000 2.308 132 I HA 0.341 4.511 4.170 0.001 0.000 0.293 132 I C -1.847 174.298 176.117 0.046 0.000 1.078 132 I CA -2.997 58.387 61.300 0.140 0.000 1.292 132 I CB 0.535 38.676 38.000 0.235 0.000 1.423 132 I HN 0.484 nan 8.210 nan 0.000 0.493 133 P HA 0.160 nan 4.420 nan 0.000 0.275 133 P C -0.190 177.120 177.300 0.016 0.000 1.228 133 P CA -0.125 62.984 63.100 0.015 0.000 0.786 133 P CB 1.758 33.472 31.700 0.025 0.000 0.927 134 S N 1.527 117.229 115.700 0.003 0.000 2.766 134 S HA 0.506 4.977 4.470 0.001 0.000 0.307 134 S C 0.010 174.611 174.600 0.002 0.000 1.121 134 S CA -0.815 57.387 58.200 0.003 0.000 0.980 134 S CB 0.110 63.308 63.200 -0.003 0.000 1.159 134 S HN 0.202 nan 8.310 nan 0.000 0.546 135 I N 3.770 124.340 120.570 0.001 0.000 3.015 135 I HA -0.064 4.106 4.170 0.001 0.000 0.309 135 I C 0.996 177.112 176.117 -0.002 0.000 1.229 135 I CA 0.507 61.808 61.300 0.001 0.000 1.430 135 I CB -0.267 37.733 38.000 -0.000 0.000 1.347 135 I HN 0.496 nan 8.210 nan 0.000 0.544 136 N N 4.294 122.994 118.700 0.000 0.000 2.609 136 N HA -0.108 4.633 4.740 0.001 0.000 0.190 136 N C 0.710 176.216 175.510 -0.005 0.000 1.157 136 N CA 0.703 53.752 53.050 -0.002 0.000 0.918 136 N CB -0.341 38.147 38.487 0.002 0.000 0.978 136 N HN 0.629 nan 8.380 nan 0.000 0.448 137 N N -0.240 118.457 118.700 -0.005 0.000 2.294 137 N HA 0.069 4.810 4.740 0.001 0.000 0.186 137 N C 0.710 176.214 175.510 -0.009 0.000 1.107 137 N CA 0.221 53.267 53.050 -0.007 0.000 0.884 137 N CB 0.443 38.927 38.487 -0.004 0.000 1.030 137 N HN 0.308 nan 8.380 nan 0.000 0.482 138 E N -0.504 119.690 120.200 -0.010 0.000 2.431 138 E HA 0.192 4.543 4.350 0.001 0.000 0.200 138 E C -0.395 176.195 176.600 -0.017 0.000 0.995 138 E CA 0.596 56.989 56.400 -0.012 0.000 0.915 138 E CB 0.681 30.376 29.700 -0.008 0.000 0.930 138 E HN 0.042 nan 8.360 nan 0.000 0.496 139 T N -0.300 114.242 114.554 -0.020 0.000 2.977 139 T HA 0.122 4.473 4.350 0.001 0.000 0.345 139 T C -2.489 172.192 174.700 -0.032 0.000 1.562 139 T CA -1.062 61.020 62.100 -0.030 0.000 1.090 139 T CB 1.665 70.515 68.868 -0.029 0.000 1.383 139 T HN -0.296 nan 8.240 nan 0.000 0.484 140 P HA 0.069 nan 4.420 nan 0.000 0.216 140 P C 1.071 178.344 177.300 -0.045 0.000 1.153 140 P CA 1.184 64.255 63.100 -0.047 0.000 0.848 140 P CB 0.128 31.790 31.700 -0.063 0.000 0.787 141 G N -1.161 107.606 108.800 -0.055 0.000 3.157 141 G HA2 0.409 4.369 3.960 0.001 0.000 0.206 141 G HA3 0.409 4.369 3.960 0.001 0.000 0.206 141 G C -0.348 174.469 174.900 -0.139 0.000 1.903 141 G CA -0.352 44.701 45.100 -0.078 0.000 0.771 141 G HN 0.001 nan 8.290 nan 0.000 0.750 142 I N 1.456 121.917 120.570 -0.181 0.000 2.396 142 I HA 0.391 4.561 4.170 0.001 0.000 0.292 142 I C -0.154 175.640 176.117 -0.538 0.000 0.999 142 I CA -0.419 60.648 61.300 -0.388 0.000 1.310 142 I CB 1.469 39.173 38.000 -0.493 0.000 1.404 142 I HN 0.070 nan 8.210 nan 0.000 0.496 143 R N 6.043 126.169 120.500 -0.623 0.000 2.310 143 R HA 0.492 4.833 4.340 0.001 0.000 0.324 143 R C -1.411 174.481 176.300 -0.681 0.000 0.955 143 R CA -0.649 55.122 56.100 -0.548 0.000 0.830 143 R CB 1.431 31.538 30.300 -0.322 0.000 1.154 143 R HN 0.474 nan 8.270 nan 0.000 0.458 144 Y N 0.686 120.549 120.300 -0.729 0.000 2.650 144 Y HA 0.319 4.870 4.550 0.001 0.000 0.331 144 Y C 0.503 176.081 175.900 -0.536 0.000 1.082 144 Y CA -0.833 56.863 58.100 -0.673 0.000 1.171 144 Y CB 1.633 39.627 38.460 -0.778 0.000 1.326 144 Y HN 0.425 nan 8.280 nan 0.000 0.513 145 Q N -0.341 119.465 119.800 0.010 0.000 2.421 145 Q HA 0.468 4.808 4.340 0.001 0.000 0.280 145 Q C -2.137 173.993 176.000 0.216 0.000 1.085 145 Q CA -1.078 54.849 55.803 0.208 0.000 0.807 145 Q CB 1.682 30.498 28.738 0.131 0.000 1.405 145 Q HN 0.640 nan 8.270 nan 0.000 0.419 146 Y N 1.813 122.262 120.300 0.248 0.000 2.377 146 Y HA 0.147 4.697 4.550 0.001 0.000 0.330 146 Y C 0.850 176.801 175.900 0.084 0.000 1.108 146 Y CA 0.196 58.382 58.100 0.143 0.000 1.308 146 Y CB 0.814 39.355 38.460 0.136 0.000 1.216 146 Y HN 0.684 nan 8.280 nan 0.000 0.518 147 N N 1.934 120.722 118.700 0.146 0.000 2.236 147 N HA 0.079 4.819 4.740 0.001 0.000 0.196 147 N C -0.310 175.296 175.510 0.160 0.000 1.114 147 N CA 0.370 53.495 53.050 0.125 0.000 0.859 147 N CB 0.784 39.311 38.487 0.067 0.000 0.982 147 N HN 0.399 nan 8.380 nan 0.000 0.493 148 V N -2.685 117.374 119.914 0.241 0.000 3.156 148 V HA 0.537 4.657 4.120 0.001 0.000 0.311 148 V C -0.085 176.235 176.094 0.378 0.000 1.208 148 V CA -1.216 61.255 62.300 0.285 0.000 1.063 148 V CB 1.324 33.330 31.823 0.304 0.000 1.098 148 V HN -0.172 nan 8.190 nan 0.000 0.452 149 L N 3.184 124.620 121.223 0.356 0.000 2.462 149 L HA 0.375 4.715 4.340 0.001 0.000 0.272 149 L C -2.111 175.020 176.870 0.435 0.000 1.166 149 L CA -1.180 53.839 54.840 0.298 0.000 0.880 149 L CB 0.476 42.606 42.059 0.118 0.000 1.142 149 L HN 0.536 nan 8.230 nan 0.000 0.473 150 P HA 0.107 nan 4.420 nan 0.000 0.282 150 P C -1.309 176.165 177.300 0.289 0.000 1.249 150 P CA -0.626 62.410 63.100 -0.106 0.000 0.806 150 P CB 0.787 32.107 31.700 -0.634 0.000 0.984 151 Q N 1.234 121.183 119.800 0.249 0.000 2.553 151 Q HA 0.464 4.804 4.340 0.001 0.000 0.221 151 Q C 0.798 176.849 176.000 0.087 0.000 1.219 151 Q CA 0.018 55.895 55.803 0.124 0.000 0.955 151 Q CB -0.050 28.619 28.738 -0.116 0.000 1.399 151 Q HN 0.857 nan 8.270 nan 0.000 0.551 152 G N 1.601 110.533 108.800 0.220 0.000 3.987 152 G HA2 -0.130 3.830 3.960 0.001 0.000 0.220 152 G HA3 -0.130 3.830 3.960 0.001 0.000 0.220 152 G C -0.993 174.165 174.900 0.431 0.000 0.871 152 G CA -0.870 44.375 45.100 0.241 0.000 0.881 152 G HN 0.487 nan 8.290 nan 0.000 0.674 153 W N 2.836 124.261 121.300 0.208 0.000 2.376 153 W HA 0.635 5.295 4.660 0.001 0.000 0.322 153 W C 1.224 177.723 176.519 -0.034 0.000 1.160 153 W CA -1.021 56.367 57.345 0.071 0.000 1.218 153 W CB 1.580 30.971 29.460 -0.115 0.000 1.205 153 W HN -0.046 nan 8.180 nan 0.000 0.559 154 K N 2.348 122.476 120.400 -0.453 0.000 2.097 154 K HA -0.111 4.210 4.320 0.001 0.000 0.206 154 K C 1.544 177.514 176.600 -1.051 0.000 1.049 154 K CA 1.823 57.782 56.287 -0.546 0.000 0.933 154 K CB -0.529 31.781 32.500 -0.316 0.000 0.717 154 K HN 0.752 nan 8.250 nan 0.000 0.442 155 G N -0.247 107.314 108.800 -2.066 0.000 2.683 155 G HA2 -0.077 3.883 3.960 0.001 0.000 0.213 155 G HA3 -0.077 3.883 3.960 0.001 0.000 0.213 155 G C 1.349 175.366 174.900 -1.472 0.000 1.142 155 G CA 0.165 43.778 45.100 -2.478 0.000 0.793 155 G HN 0.230 nan 8.290 nan 0.000 0.534 156 S N 1.741 116.922 115.700 -0.866 0.000 2.359 156 S HA -0.096 4.375 4.470 0.001 0.000 0.222 156 S C 0.169 174.443 174.600 -0.544 0.000 1.038 156 S CA 1.699 59.614 58.200 -0.476 0.000 1.051 156 S CB -0.716 62.349 63.200 -0.225 0.000 0.944 156 S HN 0.278 nan 8.310 nan 0.000 0.433 157 P HA -0.059 nan 4.420 nan 0.000 0.215 157 P C 1.441 178.614 177.300 -0.211 0.000 1.157 157 P CA 1.587 64.583 63.100 -0.174 0.000 0.868 157 P CB -0.169 31.472 31.700 -0.099 0.000 0.788 158 A N -0.804 121.811 122.820 -0.342 0.000 1.902 158 A HA -0.180 4.140 4.320 0.001 0.000 0.217 158 A C 2.233 179.680 177.584 -0.229 0.000 1.181 158 A CA 1.557 53.425 52.037 -0.281 0.000 0.623 158 A CB -1.658 17.134 19.000 -0.346 0.000 0.818 158 A HN 0.125 nan 8.150 nan 0.000 0.443 159 I N -2.121 118.266 120.570 -0.305 0.000 2.315 159 I HA -0.176 3.994 4.170 0.001 0.000 0.248 159 I C 2.299 178.325 176.117 -0.152 0.000 1.117 159 I CA 1.178 62.364 61.300 -0.189 0.000 1.404 159 I CB -0.267 37.633 38.000 -0.167 0.000 1.071 159 I HN 0.437 nan 8.210 nan 0.000 0.419 160 F N 1.808 121.580 119.950 -0.297 0.000 2.113 160 F HA -0.241 4.286 4.527 0.001 0.000 0.297 160 F C 2.582 178.300 175.800 -0.138 0.000 1.103 160 F CA 1.718 59.580 58.000 -0.231 0.000 1.248 160 F CB -0.317 38.494 39.000 -0.316 0.000 0.999 160 F HN -0.005 nan 8.300 nan 0.000 0.475 161 Q N -0.674 119.088 119.800 -0.064 0.000 2.096 161 Q HA -0.215 4.126 4.340 0.001 0.000 0.204 161 Q C 2.496 178.389 176.000 -0.178 0.000 0.982 161 Q CA 1.944 57.681 55.803 -0.109 0.000 0.850 161 Q CB -0.484 28.215 28.738 -0.065 0.000 0.901 161 Q HN 0.355 nan 8.270 nan 0.000 0.422 162 S N -0.376 115.229 115.700 -0.159 0.000 2.355 162 S HA -0.118 4.353 4.470 0.001 0.000 0.222 162 S C 2.007 176.491 174.600 -0.193 0.000 1.031 162 S CA 1.276 59.396 58.200 -0.134 0.000 0.993 162 S CB -0.083 63.065 63.200 -0.086 0.000 0.859 162 S HN 0.321 nan 8.310 nan 0.000 0.453 163 S N 1.175 116.719 115.700 -0.259 0.000 2.383 163 S HA 0.019 4.489 4.470 0.001 0.000 0.227 163 S C 1.908 176.287 174.600 -0.368 0.000 1.026 163 S CA 0.871 58.897 58.200 -0.290 0.000 0.981 163 S CB -0.249 62.784 63.200 -0.278 0.000 0.818 163 S HN 0.394 nan 8.310 nan 0.000 0.472 164 M N 1.466 120.770 119.600 -0.493 0.000 2.117 164 M HA -0.086 4.395 4.480 0.001 0.000 0.262 164 M C 2.166 178.324 176.300 -0.237 0.000 1.065 164 M CA 1.460 56.512 55.300 -0.413 0.000 1.114 164 M CB -1.652 30.672 32.600 -0.460 0.000 1.361 164 M HN 0.296 nan 8.290 nan 0.000 0.408 165 T N 0.030 114.468 114.554 -0.194 0.000 2.708 165 T HA -0.165 4.185 4.350 0.001 0.000 0.266 165 T C 1.838 176.454 174.700 -0.141 0.000 1.037 165 T CA 1.441 63.466 62.100 -0.125 0.000 1.146 165 T CB -0.108 68.703 68.868 -0.096 0.000 0.865 165 T HN 0.197 nan 8.240 nan 0.000 0.435 166 K N 0.880 121.170 120.400 -0.184 0.000 2.001 166 K HA 0.003 4.323 4.320 0.001 0.000 0.214 166 K C 2.112 178.527 176.600 -0.309 0.000 1.050 166 K CA 1.321 57.477 56.287 -0.219 0.000 0.934 166 K CB -0.533 31.823 32.500 -0.239 0.000 0.718 166 K HN 0.293 nan 8.250 nan 0.000 0.443 167 I N 0.402 120.736 120.570 -0.393 0.000 2.264 167 I HA -0.296 3.875 4.170 0.001 0.000 0.248 167 I C 1.883 177.871 176.117 -0.214 0.000 1.111 167 I CA 1.237 62.206 61.300 -0.553 0.000 1.382 167 I CB -0.168 37.560 38.000 -0.453 0.000 1.060 167 I HN 0.172 nan 8.210 nan 0.000 0.418 168 L N -0.017 121.160 121.223 -0.076 0.000 2.395 168 L HA -0.098 4.242 4.340 0.001 0.000 0.218 168 L C 2.527 179.449 176.870 0.087 0.000 1.130 168 L CA 0.370 55.253 54.840 0.073 0.000 0.826 168 L CB -0.482 41.590 42.059 0.022 0.000 0.941 168 L HN 0.241 nan 8.230 nan 0.000 0.451 169 E N 1.156 121.358 120.200 0.002 0.000 2.065 169 E HA -0.239 4.111 4.350 0.001 0.000 0.201 169 E C -0.472 176.144 176.600 0.027 0.000 1.016 169 E CA 1.992 58.391 56.400 -0.002 0.000 0.818 169 E CB -0.939 28.734 29.700 -0.045 0.000 0.749 169 E HN 0.326 nan 8.360 nan 0.000 0.453 170 P HA -0.114 nan 4.420 nan 0.000 0.216 170 P C 1.429 178.702 177.300 -0.046 0.000 1.153 170 P CA 0.991 64.117 63.100 0.042 0.000 0.848 170 P CB -0.367 31.437 31.700 0.173 0.000 0.787 171 F N 0.717 120.483 119.950 -0.306 0.000 2.171 171 F HA -0.160 4.368 4.527 0.001 0.000 0.300 171 F C 2.224 177.933 175.800 -0.152 0.000 1.090 171 F CA 1.484 59.274 58.000 -0.349 0.000 1.293 171 F CB -0.177 38.579 39.000 -0.406 0.000 1.013 171 F HN -0.271 nan 8.300 nan 0.000 0.486 172 R N -0.146 120.416 120.500 0.104 0.000 2.092 172 R HA -0.132 4.208 4.340 0.001 0.000 0.231 172 R C 2.117 178.386 176.300 -0.053 0.000 1.119 172 R CA 1.264 57.395 56.100 0.051 0.000 0.970 172 R CB -0.262 30.078 30.300 0.067 0.000 0.864 172 R HN 0.123 nan 8.270 nan 0.000 0.440 173 K N 0.642 121.007 120.400 -0.059 0.000 2.057 173 K HA -0.117 4.204 4.320 0.001 0.000 0.207 173 K C 2.098 178.632 176.600 -0.109 0.000 1.049 173 K CA 1.240 57.488 56.287 -0.065 0.000 0.931 173 K CB -0.060 32.415 32.500 -0.042 0.000 0.714 173 K HN 0.071 nan 8.250 nan 0.000 0.440 174 Q N 0.100 119.795 119.800 -0.176 0.000 2.167 174 Q HA -0.048 4.292 4.340 0.001 0.000 0.202 174 Q C -0.162 175.678 176.000 -0.267 0.000 0.970 174 Q CA 1.157 56.825 55.803 -0.224 0.000 0.855 174 Q CB 0.122 28.678 28.738 -0.303 0.000 0.911 174 Q HN 0.327 nan 8.270 nan 0.000 0.438 175 N N 0.498 118.997 118.700 -0.336 0.000 2.757 175 N HA 0.125 4.866 4.740 0.001 0.000 0.296 175 N C -2.237 173.193 175.510 -0.133 0.000 1.874 175 N CA -0.859 52.011 53.050 -0.299 0.000 0.885 175 N CB 1.277 39.423 38.487 -0.569 0.000 1.242 175 N HN 0.109 nan 8.380 nan 0.000 0.488 176 P HA -0.067 nan 4.420 nan 0.000 0.230 176 P C -0.290 177.003 177.300 -0.013 0.000 1.158 176 P CA 1.189 64.266 63.100 -0.037 0.000 0.769 176 P CB 0.436 32.114 31.700 -0.036 0.000 0.807 177 D N -0.522 119.867 120.400 -0.017 0.000 2.538 177 D HA 0.261 4.902 4.640 0.001 0.000 0.231 177 D C 0.422 176.736 176.300 0.023 0.000 1.229 177 D CA -0.082 53.921 54.000 0.006 0.000 0.828 177 D CB 0.817 41.615 40.800 -0.002 0.000 1.035 177 D HN 0.263 nan 8.370 nan 0.000 0.495 178 I N 1.143 121.734 120.570 0.035 0.000 2.404 178 I HA 0.193 4.363 4.170 0.001 0.000 0.293 178 I C -0.182 175.998 176.117 0.106 0.000 0.992 178 I CA -0.939 60.408 61.300 0.079 0.000 1.149 178 I CB 2.785 40.852 38.000 0.113 0.000 1.315 178 I HN -0.308 nan 8.210 nan 0.000 0.446 179 V N 8.337 128.318 119.914 0.113 0.000 2.407 179 V HA 0.478 4.598 4.120 0.001 0.000 0.278 179 V C -0.193 176.011 176.094 0.182 0.000 1.037 179 V CA -0.254 62.135 62.300 0.148 0.000 0.900 179 V CB 1.266 33.211 31.823 0.203 0.000 0.983 179 V HN 0.502 nan 8.190 nan 0.000 0.459 180 I N 7.907 128.574 120.570 0.163 0.000 2.502 180 I HA 0.297 4.468 4.170 0.001 0.000 0.276 180 I C -1.109 175.124 176.117 0.193 0.000 1.057 180 I CA -0.537 60.865 61.300 0.171 0.000 1.163 180 I CB 0.953 39.016 38.000 0.103 0.000 1.288 180 I HN 0.529 nan 8.210 nan 0.000 0.479 181 Y N 5.033 125.455 120.300 0.203 0.000 2.587 181 Y HA 0.057 4.607 4.550 0.001 0.000 0.344 181 Y C 0.862 176.930 175.900 0.280 0.000 1.061 181 Y CA 0.356 58.587 58.100 0.219 0.000 1.370 181 Y CB 0.359 38.924 38.460 0.176 0.000 1.163 181 Y HN 0.495 nan 8.280 nan 0.000 0.527 182 Q N 5.664 125.633 119.800 0.282 0.000 2.431 182 Q HA 0.174 4.514 4.340 0.001 0.000 0.249 182 Q C -1.998 174.178 176.000 0.293 0.000 1.025 182 Q CA -0.784 55.172 55.803 0.254 0.000 0.835 182 Q CB 0.548 29.359 28.738 0.123 0.000 1.207 182 Q HN 0.749 nan 8.270 nan 0.000 0.490 183 Y N 6.087 126.524 120.300 0.228 0.000 2.402 183 Y HA 0.228 4.779 4.550 0.001 0.000 0.332 183 Y C 0.582 176.578 175.900 0.161 0.000 0.960 183 Y CA -0.347 57.853 58.100 0.167 0.000 1.228 183 Y CB 0.716 39.257 38.460 0.136 0.000 1.120 183 Y HN 1.027 nan 8.280 nan 0.000 0.491 184 M N 2.361 121.862 119.600 -0.165 0.000 7.319 184 M HA -0.408 4.073 4.480 0.001 0.000 0.292 184 M C 0.751 177.274 176.300 0.372 0.000 0.480 184 M CA 2.856 58.204 55.300 0.079 0.000 1.311 184 M CB -0.926 31.626 32.600 -0.079 0.000 0.421 184 M HN 0.728 nan 8.290 nan 0.000 0.539 185 D N -0.809 119.764 120.400 0.288 0.000 2.398 185 D HA 0.214 4.854 4.640 0.001 0.000 0.210 185 D C -0.250 176.197 176.300 0.245 0.000 1.094 185 D CA 0.335 54.536 54.000 0.334 0.000 0.839 185 D CB -0.488 40.431 40.800 0.198 0.000 0.963 185 D HN 0.525 nan 8.370 nan 0.000 0.506 186 D N 1.060 121.620 120.400 0.267 0.000 2.365 186 D HA 0.210 4.851 4.640 0.001 0.000 0.237 186 D C -0.442 176.083 176.300 0.375 0.000 1.190 186 D CA -0.334 53.851 54.000 0.308 0.000 0.867 186 D CB 0.547 41.542 40.800 0.325 0.000 1.050 186 D HN 0.130 nan 8.370 nan 0.000 0.491 187 L N 4.477 125.885 121.223 0.309 0.000 2.272 187 L HA 0.299 4.639 4.340 0.001 0.000 0.289 187 L C -0.395 176.633 176.870 0.263 0.000 1.032 187 L CA -1.247 53.759 54.840 0.276 0.000 0.810 187 L CB 0.983 43.132 42.059 0.151 0.000 1.205 187 L HN 0.379 nan 8.230 nan 0.000 0.422 188 Y N 4.275 124.641 120.300 0.110 0.000 2.327 188 Y HA 0.529 5.080 4.550 0.001 0.000 0.336 188 Y C -0.651 175.192 175.900 -0.096 0.000 1.035 188 Y CA -0.520 57.463 58.100 -0.194 0.000 1.165 188 Y CB 1.211 39.293 38.460 -0.630 0.000 1.181 188 Y HN 0.253 nan 8.280 nan 0.000 0.494 189 V N 6.285 125.889 119.914 -0.517 0.000 2.483 189 V HA 0.734 4.854 4.120 0.001 0.000 0.297 189 V C 0.096 175.926 176.094 -0.440 0.000 1.027 189 V CA -0.434 61.682 62.300 -0.305 0.000 0.855 189 V CB 1.272 33.017 31.823 -0.130 0.000 0.995 189 V HN 1.006 nan 8.190 nan 0.000 0.424 190 G N 2.598 111.249 108.800 -0.249 0.000 2.519 190 G HA2 0.828 4.789 3.960 0.001 0.000 0.307 190 G HA3 0.828 4.789 3.960 0.001 0.000 0.307 190 G C -0.688 174.212 174.900 -0.000 0.000 1.266 190 G CA -0.188 44.786 45.100 -0.210 0.000 0.970 190 G HN 0.986 nan 8.290 nan 0.000 0.481 191 S N -0.732 114.961 115.700 -0.012 0.000 2.671 191 S HA 0.569 5.040 4.470 0.001 0.000 0.277 191 S C -1.144 173.450 174.600 -0.010 0.000 1.165 191 S CA -0.819 57.415 58.200 0.057 0.000 0.822 191 S CB 2.415 65.751 63.200 0.225 0.000 1.150 191 S HN 0.347 nan 8.310 nan 0.000 0.479 192 D N 0.913 121.320 120.400 0.012 0.000 2.643 192 D HA 0.347 4.987 4.640 0.001 0.000 0.244 192 D C -0.416 175.888 176.300 0.006 0.000 1.257 192 D CA 0.080 54.076 54.000 -0.006 0.000 0.831 192 D CB 0.221 41.020 40.800 -0.002 0.000 1.043 192 D HN 0.386 nan 8.370 nan 0.000 0.488 193 L N 0.503 121.743 121.223 0.027 0.000 2.344 193 L HA 0.336 4.676 4.340 0.001 0.000 0.272 193 L C 0.823 177.711 176.870 0.030 0.000 1.035 193 L CA -0.894 53.973 54.840 0.044 0.000 0.807 193 L CB 1.513 43.627 42.059 0.091 0.000 1.237 193 L HN -0.231 nan 8.230 nan 0.000 0.442 194 E N 0.514 120.732 120.200 0.029 0.000 2.422 194 E HA 0.015 4.366 4.350 0.001 0.000 0.260 194 E C 0.989 177.616 176.600 0.045 0.000 1.108 194 E CA 0.224 56.638 56.400 0.022 0.000 0.943 194 E CB 0.675 30.389 29.700 0.022 0.000 0.961 194 E HN 0.374 nan 8.360 nan 0.000 0.443 195 I N 1.269 121.856 120.570 0.029 0.000 2.143 195 I HA -0.320 3.851 4.170 0.001 0.000 0.245 195 I C 1.958 178.136 176.117 0.102 0.000 1.068 195 I CA 1.752 63.081 61.300 0.049 0.000 1.326 195 I CB -0.561 37.461 38.000 0.036 0.000 1.028 195 I HN 0.682 nan 8.210 nan 0.000 0.412 196 G N -0.641 108.202 108.800 0.072 0.000 2.551 196 G HA2 -0.173 3.787 3.960 0.001 0.000 0.216 196 G HA3 -0.173 3.787 3.960 0.001 0.000 0.216 196 G C 1.577 176.517 174.900 0.067 0.000 1.137 196 G CA 0.334 45.474 45.100 0.067 0.000 0.798 196 G HN 0.443 nan 8.290 nan 0.000 0.536 197 Q N -0.520 119.323 119.800 0.072 0.000 2.163 197 Q HA -0.054 4.286 4.340 0.001 0.000 0.198 197 Q C 2.116 178.164 176.000 0.079 0.000 0.954 197 Q CA 1.040 56.879 55.803 0.061 0.000 0.851 197 Q CB -0.206 28.561 28.738 0.049 0.000 0.928 197 Q HN 0.650 nan 8.270 nan 0.000 0.459 198 H N 0.405 119.482 119.070 0.012 0.000 2.289 198 H HA -0.105 4.452 4.556 0.001 0.000 0.296 198 H C 1.942 177.286 175.328 0.026 0.000 1.091 198 H CA 2.172 58.228 56.048 0.012 0.000 1.274 198 H CB 0.207 29.967 29.762 -0.004 0.000 1.364 198 H HN 0.074 nan 8.280 nan 0.000 0.490 199 R N -0.302 120.259 120.500 0.102 0.000 2.105 199 R HA -0.100 4.240 4.340 0.001 0.000 0.239 199 R C 2.378 178.675 176.300 -0.004 0.000 1.135 199 R CA 1.548 57.676 56.100 0.047 0.000 0.967 199 R CB -0.969 29.390 30.300 0.098 0.000 0.861 199 R HN 0.450 nan 8.270 nan 0.000 0.442 200 T N 1.180 115.741 114.554 0.012 0.000 2.665 200 T HA -0.174 4.176 4.350 0.001 0.000 0.268 200 T C 1.866 176.568 174.700 0.002 0.000 1.035 200 T CA 1.741 63.849 62.100 0.012 0.000 1.151 200 T CB -0.087 68.793 68.868 0.019 0.000 0.862 200 T HN 0.151 nan 8.240 nan 0.000 0.438 201 K N 0.308 120.691 120.400 -0.029 0.000 2.148 201 K HA 0.048 4.369 4.320 0.001 0.000 0.204 201 K C 2.008 178.617 176.600 0.015 0.000 1.050 201 K CA 0.614 56.903 56.287 0.003 0.000 0.942 201 K CB -0.245 32.236 32.500 -0.033 0.000 0.724 201 K HN 0.162 nan 8.250 nan 0.000 0.446 202 I N 1.541 122.033 120.570 -0.131 0.000 2.264 202 I HA -0.223 3.947 4.170 0.001 0.000 0.248 202 I C 1.864 177.965 176.117 -0.026 0.000 1.111 202 I CA 1.483 62.711 61.300 -0.121 0.000 1.382 202 I CB -0.818 37.093 38.000 -0.149 0.000 1.060 202 I HN 0.243 nan 8.210 nan 0.000 0.418 203 E N 0.214 120.417 120.200 0.006 0.000 2.216 203 E HA -0.168 4.183 4.350 0.001 0.000 0.192 203 E C 2.038 178.680 176.600 0.070 0.000 0.988 203 E CA 0.460 56.880 56.400 0.033 0.000 0.834 203 E CB 0.004 29.724 29.700 0.033 0.000 0.772 203 E HN 0.527 nan 8.360 nan 0.000 0.479 204 E N 0.602 120.870 120.200 0.113 0.000 2.072 204 E HA -0.122 4.228 4.350 0.001 0.000 0.191 204 E C 2.208 178.965 176.600 0.261 0.000 0.985 204 E CA 0.381 56.901 56.400 0.200 0.000 0.801 204 E CB 0.049 29.891 29.700 0.237 0.000 0.750 204 E HN 0.166 nan 8.360 nan 0.000 0.452 205 L N 0.579 121.892 121.223 0.149 0.000 2.017 205 L HA -0.195 4.145 4.340 0.001 0.000 0.208 205 L C 2.523 179.349 176.870 -0.073 0.000 1.073 205 L CA 1.468 56.153 54.840 -0.258 0.000 0.745 205 L CB -0.213 41.511 42.059 -0.559 0.000 0.894 205 L HN 0.129 nan 8.230 nan 0.000 0.432 206 R N -0.949 119.540 120.500 -0.017 0.000 2.152 206 R HA -0.175 4.165 4.340 0.001 0.000 0.232 206 R C 2.222 178.554 176.300 0.052 0.000 1.117 206 R CA 1.060 57.170 56.100 0.016 0.000 0.981 206 R CB -0.135 30.179 30.300 0.023 0.000 0.870 206 R HN 0.498 nan 8.270 nan 0.000 0.451 207 Q N -0.766 119.084 119.800 0.083 0.000 2.163 207 Q HA -0.125 4.215 4.340 0.001 0.000 0.198 207 Q C 1.775 177.848 176.000 0.123 0.000 0.954 207 Q CA 1.109 56.964 55.803 0.087 0.000 0.851 207 Q CB 0.118 28.909 28.738 0.089 0.000 0.928 207 Q HN 0.445 nan 8.270 nan 0.000 0.459 208 H N 0.567 119.698 119.070 0.102 0.000 2.321 208 H HA -0.137 4.420 4.556 0.001 0.000 0.300 208 H C 1.823 177.279 175.328 0.213 0.000 1.087 208 H CA 1.423 57.579 56.048 0.181 0.000 1.319 208 H CB -0.067 29.850 29.762 0.258 0.000 1.379 208 H HN 0.071 nan 8.280 nan 0.000 0.501 209 L N -0.022 121.260 121.223 0.098 0.000 2.012 209 L HA -0.142 4.199 4.340 0.001 0.000 0.210 209 L C 2.487 179.393 176.870 0.060 0.000 1.073 209 L CA 1.485 56.361 54.840 0.061 0.000 0.748 209 L CB -1.236 40.855 42.059 0.052 0.000 0.891 209 L HN 0.426 nan 8.230 nan 0.000 0.431 210 L N -0.577 120.669 121.223 0.038 0.000 2.141 210 L HA -0.132 4.209 4.340 0.001 0.000 0.209 210 L C 2.657 179.505 176.870 -0.036 0.000 1.094 210 L CA 1.466 56.318 54.840 0.020 0.000 0.763 210 L CB -0.729 41.343 42.059 0.021 0.000 0.908 210 L HN 0.242 nan 8.230 nan 0.000 0.437 211 R N -0.860 119.578 120.500 -0.103 0.000 2.152 211 R HA -0.211 4.129 4.340 0.001 0.000 0.232 211 R C 1.021 177.039 176.300 -0.470 0.000 1.117 211 R CA 1.500 57.437 56.100 -0.271 0.000 0.981 211 R CB -0.647 29.465 30.300 -0.313 0.000 0.870 211 R HN 0.554 nan 8.270 nan 0.000 0.451 212 W N 0.102 121.323 121.300 -0.133 0.000 3.305 212 W HA 0.292 4.953 4.660 0.001 0.000 0.392 212 W C 1.005 177.496 176.519 -0.047 0.000 1.121 212 W CA 0.388 57.667 57.345 -0.110 0.000 1.909 212 W CB 0.408 29.758 29.460 -0.183 0.000 1.065 212 W HN 0.374 nan 8.180 nan 0.000 0.714 213 G N 0.518 109.371 108.800 0.090 0.000 2.159 213 G HA2 -0.291 3.670 3.960 0.001 0.000 0.256 213 G HA3 -0.291 3.670 3.960 0.001 0.000 0.256 213 G C -0.174 174.800 174.900 0.123 0.000 0.977 213 G CA -0.316 44.843 45.100 0.099 0.000 0.652 213 G HN 0.177 nan 8.290 nan 0.000 0.531 214 L N 2.323 123.620 121.223 0.123 0.000 2.294 214 L HA 0.490 4.830 4.340 0.001 0.000 0.283 214 L C 0.953 177.882 176.870 0.097 0.000 1.015 214 L CA -0.285 54.632 54.840 0.130 0.000 0.831 214 L CB 1.455 43.601 42.059 0.144 0.000 1.217 214 L HN 0.333 nan 8.230 nan 0.000 0.420 215 T N -0.797 113.813 114.554 0.093 0.000 2.897 215 T HA 0.421 4.771 4.350 0.001 0.000 0.294 215 T C 0.310 175.054 174.700 0.073 0.000 1.004 215 T CA -0.593 61.551 62.100 0.072 0.000 1.106 215 T CB 1.263 70.172 68.868 0.068 0.000 0.949 215 T HN 0.603 nan 8.240 nan 0.000 0.520 216 T N 1.496 116.087 114.554 0.061 0.000 2.977 216 T HA 0.531 4.882 4.350 0.001 0.000 0.346 216 T C -2.450 172.282 174.700 0.053 0.000 1.140 216 T CA -1.404 60.733 62.100 0.062 0.000 1.040 216 T CB 0.775 69.678 68.868 0.058 0.000 1.046 216 T HN 0.584 nan 8.240 nan 0.000 0.494 217 P HA 0.507 nan 4.420 nan 0.000 0.289 217 P C -1.227 176.096 177.300 0.038 0.000 1.299 217 P CA -0.407 62.716 63.100 0.040 0.000 0.766 217 P CB 0.666 32.386 31.700 0.035 0.000 1.226 218 D N -0.661 119.754 120.400 0.025 0.000 2.408 218 D HA 0.306 4.946 4.640 0.001 0.000 0.243 218 D C 0.187 176.483 176.300 -0.006 0.000 1.075 218 D CA -0.551 53.457 54.000 0.014 0.000 0.832 218 D CB 1.478 42.285 40.800 0.011 0.000 1.162 218 D HN 0.284 nan 8.370 nan 0.000 0.515 219 K N 0.148 120.532 120.400 -0.026 0.000 3.553 219 K HA -0.228 4.092 4.320 0.001 0.000 0.303 219 K C -0.392 176.230 176.600 0.037 0.000 1.327 219 K CA 1.266 57.552 56.287 -0.003 0.000 0.983 219 K CB -0.924 31.592 32.500 0.027 0.000 1.275 219 K HN 0.478 nan 8.250 nan 0.000 0.453 220 K N 0.924 121.342 120.400 0.030 0.000 2.449 220 K HA 0.226 4.547 4.320 0.001 0.000 0.257 220 K C -1.121 175.547 176.600 0.113 0.000 0.989 220 K CA -0.730 55.619 56.287 0.102 0.000 0.916 220 K CB 0.364 32.917 32.500 0.088 0.000 1.136 220 K HN 0.192 nan 8.250 nan 0.000 0.439 221 H N 2.201 121.358 119.070 0.145 0.000 2.964 221 H HA 0.018 4.574 4.556 0.001 0.000 0.328 221 H C 0.250 175.703 175.328 0.208 0.000 1.030 221 H CA 0.755 56.901 56.048 0.162 0.000 1.445 221 H CB 0.997 30.976 29.762 0.360 0.000 1.449 221 H HN 0.608 nan 8.280 nan 0.000 0.581 222 Q N 0.928 120.855 119.800 0.212 0.000 3.243 222 Q HA 0.215 4.555 4.340 0.001 0.000 0.257 222 Q C -0.182 175.896 176.000 0.130 0.000 1.069 222 Q CA -1.074 54.848 55.803 0.197 0.000 0.650 222 Q CB 0.730 29.533 28.738 0.108 0.000 3.605 222 Q HN 0.343 nan 8.270 nan 0.000 0.336 223 K N 2.241 122.694 120.400 0.087 0.000 1.915 223 K HA -0.148 4.173 4.320 0.001 0.000 0.205 223 K C -1.047 175.513 176.600 -0.066 0.000 1.122 223 K CA 1.058 57.367 56.287 0.037 0.000 1.308 223 K CB -0.937 31.582 32.500 0.032 0.000 1.052 223 K HN 0.462 nan 8.250 nan 0.000 0.238 224 E N 2.303 122.363 120.200 -0.233 0.000 3.914 224 E HA 0.139 4.489 4.350 0.001 0.000 0.241 224 E C -2.620 173.419 176.600 -0.936 0.000 1.127 224 E CA -1.343 54.808 56.400 -0.415 0.000 1.369 224 E CB 0.479 29.992 29.700 -0.312 0.000 1.231 224 E HN 0.231 nan 8.360 nan 0.000 0.396 225 P HA 0.102 nan 4.420 nan 0.000 0.269 225 P C -2.557 174.565 177.300 -0.297 0.000 1.215 225 P CA -0.768 62.067 63.100 -0.442 0.000 0.780 225 P CB 0.151 31.837 31.700 -0.023 0.000 0.898 226 P HA 0.240 nan 4.420 nan 0.000 0.285 226 P C -0.980 176.166 177.300 -0.257 0.000 1.259 226 P CA -0.227 62.644 63.100 -0.382 0.000 0.794 226 P CB 0.416 31.733 31.700 -0.639 0.000 0.940 227 F N 2.109 122.032 119.950 -0.046 0.000 2.456 227 F HA 0.171 4.698 4.527 0.001 0.000 0.358 227 F C 0.842 176.645 175.800 0.005 0.000 1.095 227 F CA -0.368 57.588 58.000 -0.074 0.000 1.216 227 F CB 0.272 39.164 39.000 -0.180 0.000 1.125 227 F HN 0.064 nan 8.300 nan 0.000 0.549 228 L N 4.195 125.548 121.223 0.216 0.000 2.295 228 L HA 0.183 4.524 4.340 0.001 0.000 0.288 228 L C -0.991 176.067 176.870 0.313 0.000 1.079 228 L CA -0.248 54.793 54.840 0.335 0.000 0.830 228 L CB -0.030 42.297 42.059 0.447 0.000 1.200 228 L HN 0.661 nan 8.230 nan 0.000 0.438 229 W N 6.668 128.041 121.300 0.122 0.000 2.968 229 W HA 0.466 5.126 4.660 0.001 0.000 0.337 229 W C 0.224 176.823 176.519 0.133 0.000 1.060 229 W CA -1.076 56.328 57.345 0.099 0.000 1.240 229 W CB 1.186 30.688 29.460 0.069 0.000 1.370 229 W HN 0.443 nan 8.180 nan 0.000 0.459 230 M N 5.239 124.527 119.600 -0.520 0.000 2.856 230 M HA -0.173 4.308 4.480 0.001 0.000 0.189 230 M C 0.936 176.938 176.300 -0.496 0.000 0.612 230 M CA 2.353 57.172 55.300 -0.803 0.000 0.673 230 M CB -1.283 30.268 32.600 -1.749 0.000 2.440 230 M HN 1.681 nan 8.290 nan 0.000 0.437 231 G N -2.288 106.326 108.800 -0.309 0.000 2.175 231 G HA2 -0.193 3.768 3.960 0.001 0.000 0.182 231 G HA3 -0.193 3.768 3.960 0.001 0.000 0.182 231 G C -0.230 174.454 174.900 -0.361 0.000 1.003 231 G CA -0.122 44.765 45.100 -0.356 0.000 0.666 231 G HN 0.738 nan 8.290 nan 0.000 0.506 232 Y N 0.031 120.414 120.300 0.138 0.000 2.693 232 Y HA 0.699 5.250 4.550 0.001 0.000 0.331 232 Y C 0.281 176.347 175.900 0.278 0.000 1.092 232 Y CA -1.234 57.015 58.100 0.249 0.000 1.131 232 Y CB 1.122 39.731 38.460 0.248 0.000 1.318 232 Y HN 0.090 nan 8.280 nan 0.000 0.510 233 E N 1.764 122.269 120.200 0.509 0.000 2.185 233 E HA 0.445 4.795 4.350 0.001 0.000 0.261 233 E C -1.615 175.228 176.600 0.405 0.000 0.879 233 E CA -0.477 56.140 56.400 0.362 0.000 0.756 233 E CB 1.556 31.424 29.700 0.280 0.000 1.152 233 E HN 0.367 nan 8.360 nan 0.000 0.416 234 L N 4.017 125.458 121.223 0.363 0.000 2.260 234 L HA 0.382 4.722 4.340 0.001 0.000 0.289 234 L C -0.110 176.950 176.870 0.316 0.000 1.057 234 L CA -0.560 54.556 54.840 0.461 0.000 0.811 234 L CB -0.145 42.149 42.059 0.393 0.000 1.184 234 L HN 0.515 nan 8.230 nan 0.000 0.429 235 H N 3.074 122.398 119.070 0.424 0.000 2.523 235 H HA 0.296 4.852 4.556 0.001 0.000 0.345 235 H C -1.599 173.952 175.328 0.372 0.000 1.261 235 H CA -1.700 54.535 56.048 0.311 0.000 1.343 235 H CB 0.434 30.301 29.762 0.175 0.000 1.650 235 H HN 0.275 nan 8.280 nan 0.000 0.591 236 P HA -0.112 nan 4.420 nan 0.000 0.217 236 P C 0.209 177.732 177.300 0.373 0.000 1.150 236 P CA 1.492 64.760 63.100 0.280 0.000 0.832 236 P CB 0.427 32.233 31.700 0.177 0.000 0.787 237 D N -1.867 118.751 120.400 0.362 0.000 2.500 237 D HA 0.094 4.734 4.640 0.001 0.000 0.218 237 D C 0.525 176.926 176.300 0.169 0.000 1.140 237 D CA 0.374 54.560 54.000 0.310 0.000 0.830 237 D CB 0.686 41.569 40.800 0.138 0.000 1.055 237 D HN 0.353 nan 8.370 nan 0.000 0.512 238 K N 0.095 120.577 120.400 0.137 0.000 2.508 238 K HA 0.468 4.789 4.320 0.001 0.000 0.260 238 K C -1.021 175.613 176.600 0.057 0.000 0.949 238 K CA -1.114 55.101 56.287 -0.120 0.000 0.834 238 K CB 2.056 34.365 32.500 -0.318 0.000 1.365 238 K HN -0.100 nan 8.250 nan 0.000 0.437 239 W N 0.860 122.072 121.300 -0.147 0.000 2.781 239 W HA 0.702 5.363 4.660 0.001 0.000 0.345 239 W C -1.465 175.130 176.519 0.128 0.000 1.085 239 W CA -0.939 56.447 57.345 0.067 0.000 1.198 239 W CB 1.570 30.996 29.460 -0.057 0.000 1.423 239 W HN 0.676 nan 8.180 nan 0.000 0.532 240 T N 0.393 115.231 114.554 0.474 0.000 2.865 240 T HA 0.449 4.800 4.350 0.001 0.000 0.294 240 T C -1.272 173.817 174.700 0.649 0.000 1.119 240 T CA -0.418 61.870 62.100 0.313 0.000 1.007 240 T CB 2.220 71.191 68.868 0.171 0.000 1.225 240 T HN 0.450 nan 8.240 nan 0.000 0.515 241 V N 2.471 122.692 119.914 0.512 0.000 2.644 241 V HA 0.437 4.558 4.120 0.001 0.000 0.295 241 V C 0.150 176.448 176.094 0.341 0.000 1.053 241 V CA -0.379 62.217 62.300 0.492 0.000 0.987 241 V CB 1.516 33.558 31.823 0.366 0.000 1.006 241 V HN 0.960 nan 8.190 nan 0.000 0.472 242 Q N 6.505 126.466 119.800 0.269 0.000 2.330 242 Q HA 0.213 4.554 4.340 0.001 0.000 0.279 242 Q C -2.163 173.961 176.000 0.207 0.000 1.024 242 Q CA -1.311 54.616 55.803 0.206 0.000 0.900 242 Q CB 0.289 29.105 28.738 0.132 0.000 1.221 242 Q HN 0.564 nan 8.270 nan 0.000 0.396 243 P HA -0.078 nan 4.420 nan 0.000 0.263 243 P C -0.713 176.667 177.300 0.134 0.000 1.175 243 P CA 0.854 64.045 63.100 0.152 0.000 0.761 243 P CB 0.429 32.195 31.700 0.110 0.000 0.794 244 I N 2.674 123.323 120.570 0.132 0.000 2.385 244 I HA 0.239 4.409 4.170 0.001 0.000 0.294 244 I C 0.142 176.286 176.117 0.044 0.000 0.988 244 I CA -0.910 60.454 61.300 0.107 0.000 1.265 244 I CB 1.701 39.779 38.000 0.129 0.000 1.388 244 I HN 0.023 nan 8.210 nan 0.000 0.480 245 V N 7.356 127.291 119.914 0.034 0.000 2.325 245 V HA 0.322 4.442 4.120 0.001 0.000 0.280 245 V C 0.109 176.219 176.094 0.027 0.000 1.016 245 V CA -0.571 61.743 62.300 0.023 0.000 0.818 245 V CB 1.149 32.982 31.823 0.017 0.000 1.019 245 V HN 0.490 nan 8.190 nan 0.000 0.434 246 L N 6.660 127.902 121.223 0.031 0.000 2.426 246 L HA 0.313 4.653 4.340 0.001 0.000 0.271 246 L C -1.690 175.234 176.870 0.090 0.000 1.169 246 L CA -1.348 53.529 54.840 0.061 0.000 0.836 246 L CB 0.359 42.450 42.059 0.055 0.000 1.112 246 L HN 0.395 nan 8.230 nan 0.000 0.465 247 P HA -0.013 nan 4.420 nan 0.000 0.272 247 P C -0.345 177.049 177.300 0.158 0.000 1.243 247 P CA -0.070 63.099 63.100 0.114 0.000 0.803 247 P CB 0.446 32.235 31.700 0.149 0.000 0.974 248 E N -1.030 119.166 120.200 -0.007 0.000 3.067 248 E HA 0.098 4.449 4.350 0.001 0.000 0.188 248 E C -0.422 175.961 176.600 -0.362 0.000 0.964 248 E CA -0.246 56.132 56.400 -0.036 0.000 1.286 248 E CB 0.121 29.816 29.700 -0.009 0.000 1.051 248 E HN 0.160 nan 8.360 nan 0.000 0.465 249 K N 0.593 120.534 120.400 -0.764 0.000 2.393 249 K HA -0.034 4.287 4.320 0.001 0.000 0.264 249 K C 0.151 176.071 176.600 -1.132 0.000 0.979 249 K CA 0.801 56.484 56.287 -1.008 0.000 0.893 249 K CB 0.262 31.986 32.500 -1.294 0.000 0.967 249 K HN 0.034 nan 8.250 nan 0.000 0.521 250 D N -0.911 119.112 120.400 -0.628 0.000 2.594 250 D HA 0.068 4.709 4.640 0.001 0.000 0.256 250 D C -0.778 175.435 176.300 -0.145 0.000 1.393 250 D CA 0.136 53.959 54.000 -0.295 0.000 0.797 250 D CB 0.507 41.224 40.800 -0.138 0.000 1.110 250 D HN 0.241 nan 8.370 nan 0.000 0.495 251 S N 0.513 116.077 115.700 -0.227 0.000 2.564 251 S HA 0.125 4.596 4.470 0.001 0.000 0.141 251 S C -0.522 174.057 174.600 -0.034 0.000 1.474 251 S CA -0.630 57.541 58.200 -0.049 0.000 1.236 251 S CB -0.070 63.097 63.200 -0.054 0.000 1.481 251 S HN 0.052 nan 8.310 nan 0.000 0.397 252 W N 2.913 124.206 121.300 -0.012 0.000 2.187 252 W HA 0.253 4.914 4.660 0.001 0.000 0.348 252 W C 0.932 177.444 176.519 -0.012 0.000 1.282 252 W CA 0.564 57.902 57.345 -0.012 0.000 1.271 252 W CB 0.826 30.279 29.460 -0.012 0.000 1.170 252 W HN 0.606 nan 8.180 nan 0.000 0.583 253 T N -2.084 112.599 114.554 0.215 0.000 2.883 253 T HA 0.285 4.635 4.350 0.001 0.000 0.296 253 T C 0.583 175.349 174.700 0.111 0.000 1.117 253 T CA -0.905 61.264 62.100 0.117 0.000 1.006 253 T CB 1.673 70.574 68.868 0.055 0.000 1.191 253 T HN 0.110 nan 8.240 nan 0.000 0.508 254 V N 1.665 121.620 119.914 0.068 0.000 2.313 254 V HA -0.258 3.862 4.120 0.001 0.000 0.253 254 V C 2.830 178.957 176.094 0.055 0.000 1.070 254 V CA 2.586 64.917 62.300 0.052 0.000 1.057 254 V CB -0.902 30.939 31.823 0.031 0.000 0.653 254 V HN 1.012 nan 8.190 nan 0.000 0.450 255 N N -0.332 118.398 118.700 0.050 0.000 2.216 255 N HA -0.157 4.583 4.740 0.001 0.000 0.183 255 N C 1.501 177.054 175.510 0.071 0.000 1.017 255 N CA 1.570 54.646 53.050 0.043 0.000 0.861 255 N CB -0.086 38.415 38.487 0.023 0.000 0.986 255 N HN 0.475 nan 8.380 nan 0.000 0.428 256 D N 0.787 121.251 120.400 0.107 0.000 2.144 256 D HA -0.086 4.555 4.640 0.001 0.000 0.199 256 D C 1.953 178.423 176.300 0.283 0.000 0.984 256 D CA 0.513 54.629 54.000 0.193 0.000 0.834 256 D CB 0.003 40.928 40.800 0.210 0.000 0.955 256 D HN 0.311 nan 8.370 nan 0.000 0.465 257 I N 0.098 120.790 120.570 0.202 0.000 2.235 257 I HA -0.178 3.992 4.170 0.001 0.000 0.241 257 I C 2.471 178.617 176.117 0.049 0.000 1.085 257 I CA 0.516 61.871 61.300 0.092 0.000 1.378 257 I CB -1.195 36.827 38.000 0.038 0.000 1.076 257 I HN 0.111 nan 8.210 nan 0.000 0.415 258 C N 1.531 120.859 119.300 0.046 0.000 2.403 258 C HA -0.186 4.274 4.460 0.001 0.000 0.282 258 C C 2.738 177.747 174.990 0.032 0.000 1.297 258 C CA 1.516 60.552 59.018 0.029 0.000 1.785 258 C CB -1.048 26.707 27.740 0.025 0.000 1.963 258 C HN 0.524 nan 8.230 nan 0.000 0.507 259 K N -0.365 120.063 120.400 0.048 0.000 2.356 259 K HA 0.071 4.391 4.320 0.001 0.000 0.195 259 K C 1.953 178.587 176.600 0.056 0.000 1.037 259 K CA 0.562 56.875 56.287 0.042 0.000 1.014 259 K CB -0.319 32.204 32.500 0.038 0.000 0.815 259 K HN 0.375 nan 8.250 nan 0.000 0.507 260 L N 1.403 122.670 121.223 0.073 0.000 2.044 260 L HA -0.084 4.257 4.340 0.001 0.000 0.205 260 L C 2.114 178.994 176.870 0.017 0.000 1.075 260 L CA 1.161 56.035 54.840 0.057 0.000 0.747 260 L CB -0.239 41.829 42.059 0.015 0.000 0.903 260 L HN 0.102 nan 8.230 nan 0.000 0.435 261 V N 0.359 120.274 119.914 0.002 0.000 2.332 261 V HA -0.225 3.895 4.120 0.001 0.000 0.248 261 V C 2.746 178.862 176.094 0.037 0.000 1.055 261 V CA 1.722 64.024 62.300 0.004 0.000 1.038 261 V CB -1.480 30.342 31.823 -0.002 0.000 0.651 261 V HN 0.633 nan 8.190 nan 0.000 0.450 262 G N 0.181 109.006 108.800 0.040 0.000 2.514 262 G HA2 -0.283 3.677 3.960 0.001 0.000 0.217 262 G HA3 -0.283 3.677 3.960 0.001 0.000 0.217 262 G C 1.633 176.590 174.900 0.095 0.000 1.198 262 G CA 1.065 46.198 45.100 0.055 0.000 0.780 262 G HN 0.468 nan 8.290 nan 0.000 0.565 263 K N -0.314 120.133 120.400 0.079 0.000 2.057 263 K HA -0.004 4.316 4.320 0.001 0.000 0.207 263 K C 2.492 179.188 176.600 0.159 0.000 1.049 263 K CA 0.712 57.072 56.287 0.122 0.000 0.931 263 K CB -0.362 32.182 32.500 0.072 0.000 0.714 263 K HN 0.161 nan 8.250 nan 0.000 0.440 264 L N 2.121 123.392 121.223 0.081 0.000 2.017 264 L HA -0.177 4.163 4.340 0.001 0.000 0.208 264 L C 1.986 178.903 176.870 0.078 0.000 1.073 264 L CA 1.598 56.465 54.840 0.044 0.000 0.745 264 L CB -1.571 40.488 42.059 0.000 0.000 0.894 264 L HN 0.216 nan 8.230 nan 0.000 0.432 265 N N -0.774 117.985 118.700 0.098 0.000 2.061 265 N HA -0.286 4.455 4.740 0.001 0.000 0.193 265 N C 1.722 177.338 175.510 0.176 0.000 1.030 265 N CA 1.444 54.564 53.050 0.116 0.000 0.856 265 N CB -0.539 38.018 38.487 0.117 0.000 1.023 265 N HN 0.537 nan 8.380 nan 0.000 0.424 266 W N 1.879 123.200 121.300 0.036 0.000 2.325 266 W HA -0.207 4.453 4.660 0.001 0.000 0.299 266 W C 1.775 178.352 176.519 0.097 0.000 1.215 266 W CA 1.757 59.132 57.345 0.050 0.000 1.244 266 W CB -0.106 29.361 29.460 0.012 0.000 1.140 266 W HN 0.066 nan 8.180 nan 0.000 0.523 267 A N 0.461 123.322 122.820 0.068 0.000 1.970 267 A HA -0.152 4.169 4.320 0.001 0.000 0.216 267 A C 1.966 179.589 177.584 0.065 0.000 1.170 267 A CA 1.687 53.729 52.037 0.009 0.000 0.645 267 A CB -1.153 17.833 19.000 -0.023 0.000 0.816 267 A HN 0.342 nan 8.150 nan 0.000 0.447 268 S N 0.586 116.306 115.700 0.033 0.000 2.547 268 S HA -0.194 4.276 4.470 0.001 0.000 0.235 268 S C 1.749 176.343 174.600 -0.010 0.000 0.980 268 S CA 0.945 59.161 58.200 0.027 0.000 0.941 268 S CB -0.585 62.617 63.200 0.003 0.000 0.763 268 S HN 0.829 nan 8.310 nan 0.000 0.532 269 Q N -0.116 119.677 119.800 -0.013 0.000 2.369 269 Q HA 0.131 4.471 4.340 0.001 0.000 0.206 269 Q C 1.643 177.702 176.000 0.097 0.000 0.963 269 Q CA 0.960 56.784 55.803 0.034 0.000 0.894 269 Q CB -0.241 28.538 28.738 0.067 0.000 0.965 269 Q HN 0.616 nan 8.270 nan 0.000 0.475 270 I N -1.588 119.018 120.570 0.060 0.000 4.770 270 I HA 0.205 4.376 4.170 0.001 0.000 0.327 270 I C -0.733 175.248 176.117 -0.227 0.000 1.271 270 I CA -0.626 60.635 61.300 -0.066 0.000 1.320 270 I CB 0.956 38.883 38.000 -0.122 0.000 1.319 270 I HN -0.010 nan 8.210 nan 0.000 0.462 271 Y N 5.002 125.255 120.300 -0.078 0.000 2.404 271 Y HA 0.417 4.968 4.550 0.001 0.000 0.344 271 Y C -2.026 173.824 175.900 -0.084 0.000 0.995 271 Y CA -2.409 55.646 58.100 -0.076 0.000 1.201 271 Y CB 0.084 38.513 38.460 -0.051 0.000 1.151 271 Y HN 0.073 nan 8.280 nan 0.000 0.517 272 P HA 0.114 nan 4.420 nan 0.000 0.275 272 P C 0.641 177.942 177.300 0.001 0.000 1.228 272 P CA 0.386 63.468 63.100 -0.030 0.000 0.786 272 P CB 1.295 32.958 31.700 -0.063 0.000 0.927 273 G N 2.211 110.999 108.800 -0.019 0.000 2.143 273 G HA2 -0.199 3.762 3.960 0.001 0.000 0.248 273 G HA3 -0.199 3.762 3.960 0.001 0.000 0.248 273 G C 0.244 175.135 174.900 -0.014 0.000 0.991 273 G CA -0.495 44.595 45.100 -0.017 0.000 0.689 273 G HN 0.472 nan 8.290 nan 0.000 0.522 274 I N 0.574 121.141 120.570 -0.005 0.000 2.648 274 I HA 0.244 4.414 4.170 0.001 0.000 0.284 274 I C 0.729 176.832 176.117 -0.024 0.000 1.153 274 I CA 0.800 62.093 61.300 -0.013 0.000 1.426 274 I CB 0.736 38.735 38.000 -0.002 0.000 1.381 274 I HN 0.168 nan 8.210 nan 0.000 0.571 275 K N 5.126 125.504 120.400 -0.036 0.000 2.468 275 K HA 0.494 4.815 4.320 0.001 0.000 0.252 275 K C -0.156 176.413 176.600 -0.052 0.000 0.932 275 K CA -0.572 55.688 56.287 -0.045 0.000 0.794 275 K CB 2.863 35.328 32.500 -0.059 0.000 1.241 275 K HN 0.427 nan 8.250 nan 0.000 0.428 276 V N -0.745 119.140 119.914 -0.049 0.000 3.199 276 V HA 0.195 4.316 4.120 0.001 0.000 0.331 276 V C 1.353 177.412 176.094 -0.059 0.000 1.446 276 V CA -0.174 62.093 62.300 -0.055 0.000 1.120 276 V CB 0.398 32.199 31.823 -0.038 0.000 1.051 276 V HN 0.735 nan 8.190 nan 0.000 0.495 277 R N 1.295 121.757 120.500 -0.063 0.000 2.070 277 R HA -0.059 4.282 4.340 0.001 0.000 0.232 277 R C 2.146 178.407 176.300 -0.065 0.000 1.138 277 R CA 2.465 58.528 56.100 -0.063 0.000 0.936 277 R CB -0.520 29.738 30.300 -0.070 0.000 0.839 277 R HN 0.488 nan 8.270 nan 0.000 0.429 278 Q N 0.377 120.133 119.800 -0.073 0.000 2.124 278 Q HA -0.069 4.271 4.340 0.001 0.000 0.202 278 Q C 2.298 178.248 176.000 -0.084 0.000 0.977 278 Q CA 1.574 57.332 55.803 -0.075 0.000 0.850 278 Q CB -0.328 28.362 28.738 -0.080 0.000 0.901 278 Q HN 0.412 nan 8.270 nan 0.000 0.429 279 L N -0.034 121.129 121.223 -0.100 0.000 1.994 279 L HA -0.181 4.159 4.340 0.001 0.000 0.208 279 L C 2.444 179.264 176.870 -0.083 0.000 1.071 279 L CA 1.267 56.036 54.840 -0.118 0.000 0.745 279 L CB -0.607 41.367 42.059 -0.141 0.000 0.892 279 L HN 0.084 nan 8.230 nan 0.000 0.431 280 S N -0.453 115.208 115.700 -0.065 0.000 2.387 280 S HA -0.214 4.257 4.470 0.001 0.000 0.230 280 S C 1.932 176.508 174.600 -0.039 0.000 1.035 280 S CA 1.318 59.491 58.200 -0.045 0.000 1.014 280 S CB -0.169 63.008 63.200 -0.038 0.000 0.836 280 S HN 0.313 nan 8.310 nan 0.000 0.466 281 K N 0.545 120.918 120.400 -0.045 0.000 2.032 281 K HA -0.106 4.214 4.320 0.001 0.000 0.209 281 K C 1.824 178.406 176.600 -0.031 0.000 1.048 281 K CA 1.141 57.405 56.287 -0.037 0.000 0.927 281 K CB -0.440 32.035 32.500 -0.042 0.000 0.712 281 K HN 0.182 nan 8.250 nan 0.000 0.441 282 L N 1.089 122.289 121.223 -0.038 0.000 2.151 282 L HA -0.227 4.113 4.340 0.001 0.000 0.215 282 L C 1.956 178.817 176.870 -0.015 0.000 1.084 282 L CA 1.363 56.186 54.840 -0.028 0.000 0.764 282 L CB -0.758 41.278 42.059 -0.039 0.000 0.891 282 L HN 0.272 nan 8.230 nan 0.000 0.435 283 L N -1.027 120.186 121.223 -0.017 0.000 2.633 283 L HA -0.123 4.218 4.340 0.001 0.000 0.235 283 L C 2.255 179.123 176.870 -0.004 0.000 1.163 283 L CA 0.824 55.660 54.840 -0.007 0.000 0.859 283 L CB -0.782 41.273 42.059 -0.008 0.000 0.973 283 L HN 0.268 nan 8.230 nan 0.000 0.451 284 R N 0.186 120.682 120.500 -0.006 0.000 2.124 284 R HA -0.037 4.303 4.340 0.001 0.000 0.215 284 R C 2.094 178.394 176.300 -0.001 0.000 1.145 284 R CA 1.856 57.953 56.100 -0.005 0.000 0.898 284 R CB -1.171 29.124 30.300 -0.008 0.000 0.790 284 R HN 0.250 nan 8.270 nan 0.000 0.458 285 G N -0.323 108.477 108.800 0.000 0.000 2.464 285 G HA2 -0.109 3.852 3.960 0.001 0.000 0.217 285 G HA3 -0.109 3.852 3.960 0.001 0.000 0.217 285 G C -0.089 174.814 174.900 0.004 0.000 1.138 285 G CA 0.766 45.867 45.100 0.002 0.000 0.793 285 G HN 0.617 nan 8.290 nan 0.000 0.539 286 T N -1.073 113.484 114.554 0.005 0.000 2.897 286 T HA -0.002 4.349 4.350 0.001 0.000 0.304 286 T C 0.824 175.528 174.700 0.008 0.000 1.051 286 T CA 0.579 62.684 62.100 0.008 0.000 1.132 286 T CB 0.808 69.682 68.868 0.011 0.000 1.066 286 T HN 0.310 nan 8.240 nan 0.000 0.518 287 K N 1.253 121.657 120.400 0.008 0.000 2.355 287 K HA 0.456 4.776 4.320 0.001 0.000 0.198 287 K C 0.433 177.037 176.600 0.007 0.000 1.039 287 K CA 0.084 56.375 56.287 0.007 0.000 1.075 287 K CB 0.859 33.363 32.500 0.006 0.000 0.870 287 K HN 0.806 nan 8.250 nan 0.000 0.540 288 A N 0.925 123.750 122.820 0.008 0.000 2.427 288 A HA 0.251 4.571 4.320 0.001 0.000 0.298 288 A C 0.274 177.863 177.584 0.009 0.000 1.036 288 A CA -0.596 51.445 52.037 0.007 0.000 0.701 288 A CB 1.096 20.099 19.000 0.005 0.000 1.250 288 A HN 0.089 nan 8.150 nan 0.000 0.412 289 L N 2.590 123.818 121.223 0.008 0.000 2.151 289 L HA -0.196 4.145 4.340 0.001 0.000 0.215 289 L C 2.532 179.409 176.870 0.012 0.000 1.084 289 L CA 3.330 58.176 54.840 0.010 0.000 0.764 289 L CB -0.456 41.606 42.059 0.005 0.000 0.891 289 L HN 0.965 nan 8.230 nan 0.000 0.435 290 T N -4.081 110.477 114.554 0.007 0.000 3.035 290 T HA -0.065 4.285 4.350 0.001 0.000 0.259 290 T C 1.031 175.738 174.700 0.012 0.000 1.078 290 T CA 0.056 62.159 62.100 0.006 0.000 1.132 290 T CB -0.517 68.350 68.868 -0.002 0.000 0.900 290 T HN 0.398 nan 8.240 nan 0.000 0.480 291 E N 2.202 122.410 120.200 0.013 0.000 2.918 291 E HA 0.063 4.414 4.350 0.001 0.000 0.232 291 E C 0.029 176.644 176.600 0.026 0.000 1.073 291 E CA -0.335 56.074 56.400 0.016 0.000 0.949 291 E CB -0.067 29.642 29.700 0.015 0.000 0.937 291 E HN 0.409 nan 8.360 nan 0.000 0.536 292 V N 6.135 126.064 119.914 0.026 0.000 2.740 292 V HA 0.249 4.370 4.120 0.001 0.000 0.303 292 V C -0.085 176.037 176.094 0.046 0.000 1.054 292 V CA 0.121 62.444 62.300 0.039 0.000 1.106 292 V CB 0.430 32.269 31.823 0.027 0.000 0.957 292 V HN 0.567 nan 8.190 nan 0.000 0.486 293 I N 7.639 128.251 120.570 0.070 0.000 2.533 293 I HA 0.454 4.624 4.170 0.001 0.000 0.290 293 I C -2.395 173.770 176.117 0.080 0.000 1.056 293 I CA -1.906 59.430 61.300 0.060 0.000 1.057 293 I CB 2.417 40.446 38.000 0.048 0.000 1.240 293 I HN 0.536 nan 8.210 nan 0.000 0.423 294 P HA 0.226 nan 4.420 nan 0.000 0.276 294 P C -0.614 176.708 177.300 0.037 0.000 1.230 294 P CA -0.240 62.895 63.100 0.059 0.000 0.776 294 P CB 0.868 32.592 31.700 0.039 0.000 0.888 295 L N 2.595 123.841 121.223 0.038 0.000 2.456 295 L HA 0.128 4.469 4.340 0.001 0.000 0.272 295 L C 1.544 178.400 176.870 -0.022 0.000 1.189 295 L CA -0.047 54.781 54.840 -0.020 0.000 0.846 295 L CB 0.179 42.209 42.059 -0.049 0.000 1.111 295 L HN 0.499 nan 8.230 nan 0.000 0.475 296 T N -1.578 112.951 114.554 -0.041 0.000 2.899 296 T HA 0.099 4.449 4.350 0.001 0.000 0.295 296 T C 0.922 175.597 174.700 -0.041 0.000 1.033 296 T CA -0.752 61.327 62.100 -0.036 0.000 1.084 296 T CB 1.197 70.041 68.868 -0.040 0.000 0.979 296 T HN 0.627 nan 8.240 nan 0.000 0.532 297 E N 0.730 120.911 120.200 -0.031 0.000 2.209 297 E HA -0.170 4.181 4.350 0.001 0.000 0.196 297 E C 2.019 178.594 176.600 -0.042 0.000 0.993 297 E CA 1.370 57.752 56.400 -0.030 0.000 0.819 297 E CB 0.149 29.835 29.700 -0.023 0.000 0.745 297 E HN 0.793 nan 8.360 nan 0.000 0.477 298 E N 0.073 120.243 120.200 -0.049 0.000 2.166 298 E HA 0.003 4.354 4.350 0.001 0.000 0.192 298 E C 2.026 178.582 176.600 -0.074 0.000 0.967 298 E CA 0.721 57.087 56.400 -0.056 0.000 0.840 298 E CB -0.284 29.384 29.700 -0.053 0.000 0.795 298 E HN 0.134 nan 8.360 nan 0.000 0.470 299 A N 2.269 125.038 122.820 -0.084 0.000 1.933 299 A HA -0.240 4.080 4.320 0.001 0.000 0.218 299 A C 2.205 179.704 177.584 -0.142 0.000 1.175 299 A CA 1.772 53.739 52.037 -0.117 0.000 0.628 299 A CB -0.641 18.284 19.000 -0.124 0.000 0.814 299 A HN 0.385 nan 8.150 nan 0.000 0.444 300 E N -0.465 119.665 120.200 -0.117 0.000 2.058 300 E HA -0.199 4.152 4.350 0.001 0.000 0.194 300 E C 1.864 178.408 176.600 -0.094 0.000 0.997 300 E CA 1.212 57.546 56.400 -0.111 0.000 0.801 300 E CB -0.148 29.516 29.700 -0.060 0.000 0.746 300 E HN 0.431 nan 8.360 nan 0.000 0.450 301 L N 1.081 122.259 121.223 -0.074 0.000 2.044 301 L HA -0.137 4.203 4.340 0.001 0.000 0.205 301 L C 2.534 179.361 176.870 -0.071 0.000 1.075 301 L CA 1.890 56.694 54.840 -0.060 0.000 0.747 301 L CB -1.207 40.822 42.059 -0.050 0.000 0.903 301 L HN 0.330 nan 8.230 nan 0.000 0.435 302 E N -0.025 120.125 120.200 -0.084 0.000 2.049 302 E HA -0.305 4.046 4.350 0.001 0.000 0.198 302 E C 2.225 178.765 176.600 -0.098 0.000 1.007 302 E CA 1.768 58.116 56.400 -0.088 0.000 0.809 302 E CB -0.121 29.521 29.700 -0.096 0.000 0.749 302 E HN 0.235 nan 8.360 nan 0.000 0.450 303 L N 0.911 122.053 121.223 -0.134 0.000 2.042 303 L HA -0.115 4.226 4.340 0.001 0.000 0.210 303 L C 2.270 179.079 176.870 -0.100 0.000 1.076 303 L CA 2.396 57.143 54.840 -0.154 0.000 0.749 303 L CB -1.075 40.826 42.059 -0.264 0.000 0.893 303 L HN 0.204 nan 8.230 nan 0.000 0.432 304 A N -0.655 122.117 122.820 -0.080 0.000 1.908 304 A HA -0.252 4.068 4.320 0.001 0.000 0.218 304 A C 2.149 179.709 177.584 -0.039 0.000 1.181 304 A CA 1.963 53.973 52.037 -0.044 0.000 0.627 304 A CB -0.671 18.309 19.000 -0.033 0.000 0.818 304 A HN 0.664 nan 8.150 nan 0.000 0.445 305 E N -0.265 119.907 120.200 -0.047 0.000 2.051 305 E HA -0.197 4.153 4.350 0.001 0.000 0.192 305 E C 1.902 178.480 176.600 -0.038 0.000 0.991 305 E CA 1.406 57.783 56.400 -0.038 0.000 0.799 305 E CB -0.297 29.377 29.700 -0.043 0.000 0.748 305 E HN 0.772 nan 8.360 nan 0.000 0.449 306 N N 0.491 119.160 118.700 -0.052 0.000 2.120 306 N HA -0.129 4.612 4.740 0.001 0.000 0.188 306 N C 1.833 177.307 175.510 -0.060 0.000 1.024 306 N CA 0.719 53.734 53.050 -0.057 0.000 0.852 306 N CB -0.012 38.432 38.487 -0.071 0.000 1.003 306 N HN 0.007 nan 8.380 nan 0.000 0.424 307 R N 0.815 121.285 120.500 -0.049 0.000 2.091 307 R HA -0.103 4.238 4.340 0.001 0.000 0.238 307 R C 1.605 177.890 176.300 -0.025 0.000 1.136 307 R CA 1.109 57.188 56.100 -0.035 0.000 0.959 307 R CB -0.007 30.286 30.300 -0.013 0.000 0.856 307 R HN 0.251 nan 8.270 nan 0.000 0.437 308 E N 0.294 120.484 120.200 -0.015 0.000 2.150 308 E HA -0.158 4.192 4.350 0.001 0.000 0.193 308 E C 1.795 178.402 176.600 0.011 0.000 0.985 308 E CA 0.728 57.127 56.400 -0.001 0.000 0.814 308 E CB -0.086 29.613 29.700 -0.001 0.000 0.752 308 E HN 0.258 nan 8.360 nan 0.000 0.466 309 I N 0.318 120.892 120.570 0.007 0.000 2.761 309 I HA -0.112 4.058 4.170 0.001 0.000 0.261 309 I C 1.894 178.068 176.117 0.095 0.000 1.198 309 I CA 0.684 62.014 61.300 0.051 0.000 1.482 309 I CB 0.058 38.086 38.000 0.047 0.000 1.100 309 I HN -0.016 nan 8.210 nan 0.000 0.445 310 L N -0.139 121.054 121.223 -0.051 0.000 2.240 310 L HA -0.078 4.263 4.340 0.001 0.000 0.211 310 L C 2.201 179.087 176.870 0.025 0.000 1.106 310 L CA 0.716 55.429 54.840 -0.211 0.000 0.793 310 L CB -0.572 41.277 42.059 -0.350 0.000 0.927 310 L HN 0.129 nan 8.230 nan 0.000 0.446 311 K N 0.199 120.621 120.400 0.037 0.000 2.442 311 K HA -0.129 4.192 4.320 0.001 0.000 0.199 311 K C 0.283 176.939 176.600 0.094 0.000 1.044 311 K CA 0.665 56.986 56.287 0.056 0.000 0.941 311 K CB 0.021 32.542 32.500 0.034 0.000 0.759 311 K HN 0.169 nan 8.250 nan 0.000 0.472 312 E N 0.861 121.148 120.200 0.146 0.000 2.266 312 E HA 0.114 4.464 4.350 0.001 0.000 0.277 312 E C -2.499 174.174 176.600 0.122 0.000 1.018 312 E CA -2.465 54.003 56.400 0.115 0.000 0.840 312 E CB 0.875 30.625 29.700 0.083 0.000 1.082 312 E HN -0.056 nan 8.360 nan 0.000 0.395 313 P HA 0.082 nan 4.420 nan 0.000 0.280 313 P C -1.094 176.159 177.300 -0.077 0.000 1.300 313 P CA -0.157 62.948 63.100 0.008 0.000 0.785 313 P CB 0.678 32.385 31.700 0.012 0.000 0.874 314 V N 5.510 125.315 119.914 -0.181 0.000 2.876 314 V HA 0.579 4.699 4.120 0.001 0.000 0.312 314 V C -0.618 175.293 176.094 -0.305 0.000 1.085 314 V CA -0.561 61.535 62.300 -0.341 0.000 0.945 314 V CB 2.145 33.590 31.823 -0.630 0.000 1.017 314 V HN 0.794 nan 8.190 nan 0.000 0.428 315 H N 3.348 122.169 119.070 -0.415 0.000 2.906 315 H HA 0.839 5.396 4.556 0.001 0.000 0.337 315 H C -0.344 174.513 175.328 -0.784 0.000 1.257 315 H CA -0.470 55.244 56.048 -0.557 0.000 1.192 315 H CB 1.939 31.447 29.762 -0.423 0.000 1.912 315 H HN 0.881 nan 8.280 nan 0.000 0.573 316 G N -0.374 107.720 108.800 -1.176 0.000 2.685 316 G HA2 0.548 4.508 3.960 0.001 0.000 0.298 316 G HA3 0.548 4.508 3.960 0.001 0.000 0.298 316 G C -0.497 173.982 174.900 -0.702 0.000 1.277 316 G CA -0.283 44.066 45.100 -1.253 0.000 0.986 316 G HN 0.734 nan 8.290 nan 0.000 0.487 317 V N -2.709 117.088 119.914 -0.195 0.000 3.113 317 V HA 0.741 4.861 4.120 0.001 0.000 0.316 317 V C -0.851 175.311 176.094 0.114 0.000 1.125 317 V CA -1.516 60.742 62.300 -0.069 0.000 1.026 317 V CB 1.179 33.022 31.823 0.034 0.000 1.080 317 V HN 0.664 nan 8.190 nan 0.000 0.444 318 Y N 0.196 120.702 120.300 0.343 0.000 2.326 318 Y HA 0.520 5.070 4.550 0.001 0.000 0.324 318 Y C -0.156 175.915 175.900 0.285 0.000 1.291 318 Y CA -0.292 57.991 58.100 0.304 0.000 1.348 318 Y CB 0.933 39.511 38.460 0.198 0.000 1.294 318 Y HN 0.763 nan 8.280 nan 0.000 0.525 319 Y N 2.002 122.509 120.300 0.344 0.000 2.316 319 Y HA 0.213 4.763 4.550 0.001 0.000 0.331 319 Y C -0.650 175.336 175.900 0.144 0.000 1.083 319 Y CA -1.408 56.825 58.100 0.223 0.000 1.206 319 Y CB 0.770 39.434 38.460 0.340 0.000 1.195 319 Y HN 0.518 nan 8.280 nan 0.000 0.497 320 D N 8.334 128.411 120.400 -0.538 0.000 2.460 320 D HA 0.329 4.970 4.640 0.001 0.000 0.232 320 D C -2.202 173.611 176.300 -0.811 0.000 1.079 320 D CA -2.608 51.087 54.000 -0.510 0.000 0.864 320 D CB 1.821 42.498 40.800 -0.206 0.000 1.048 320 D HN 0.326 nan 8.370 nan 0.000 0.523 321 P HA -0.056 nan 4.420 nan 0.000 0.219 321 P C 0.267 177.437 177.300 -0.216 0.000 1.146 321 P CA 0.689 63.502 63.100 -0.479 0.000 0.808 321 P CB 0.325 31.921 31.700 -0.173 0.000 0.779 322 S N 0.136 115.724 115.700 -0.187 0.000 3.812 322 S HA 0.285 4.755 4.470 0.001 0.000 0.195 322 S C 0.027 174.568 174.600 -0.099 0.000 1.460 322 S CA 0.015 58.153 58.200 -0.103 0.000 1.052 322 S CB -0.927 62.228 63.200 -0.074 0.000 1.385 322 S HN 0.052 nan 8.310 nan 0.000 0.490 323 K N 0.723 121.061 120.400 -0.103 0.000 2.740 323 K HA 0.098 4.418 4.320 0.001 0.000 0.279 323 K C -2.000 174.553 176.600 -0.078 0.000 1.038 323 K CA -0.715 55.520 56.287 -0.086 0.000 0.887 323 K CB 1.062 33.503 32.500 -0.098 0.000 1.411 323 K HN 0.113 nan 8.250 nan 0.000 0.381 324 D N 1.965 122.316 120.400 -0.081 0.000 2.372 324 D HA 0.142 4.783 4.640 0.001 0.000 0.243 324 D C -0.198 175.996 176.300 -0.176 0.000 1.121 324 D CA 0.159 54.092 54.000 -0.112 0.000 0.898 324 D CB 0.769 41.494 40.800 -0.125 0.000 1.202 324 D HN 0.286 nan 8.370 nan 0.000 0.428 325 L N 2.780 123.861 121.223 -0.237 0.000 2.313 325 L HA 0.311 4.652 4.340 0.001 0.000 0.282 325 L C 0.150 176.730 176.870 -0.482 0.000 1.092 325 L CA -0.220 54.368 54.840 -0.420 0.000 0.831 325 L CB 0.462 42.219 42.059 -0.502 0.000 1.159 325 L HN 0.149 nan 8.230 nan 0.000 0.442 326 I N 3.247 123.446 120.570 -0.619 0.000 2.474 326 I HA 0.544 4.714 4.170 0.001 0.000 0.294 326 I C -0.104 175.542 176.117 -0.785 0.000 1.005 326 I CA -0.394 60.458 61.300 -0.747 0.000 1.113 326 I CB 2.035 39.438 38.000 -0.995 0.000 1.289 326 I HN 0.590 nan 8.210 nan 0.000 0.436 327 A N 5.954 128.393 122.820 -0.636 0.000 2.319 327 A HA 0.631 4.951 4.320 0.001 0.000 0.310 327 A C -0.626 176.864 177.584 -0.156 0.000 1.152 327 A CA -0.546 51.251 52.037 -0.400 0.000 0.783 327 A CB 0.726 19.400 19.000 -0.543 0.000 1.184 327 A HN 0.769 nan 8.150 nan 0.000 0.474 328 E N 2.803 123.014 120.200 0.019 0.000 2.183 328 E HA 0.715 5.065 4.350 0.001 0.000 0.271 328 E C -1.310 175.395 176.600 0.175 0.000 0.919 328 E CA -0.628 55.841 56.400 0.115 0.000 0.781 328 E CB 1.646 31.439 29.700 0.154 0.000 1.140 328 E HN 0.497 nan 8.360 nan 0.000 0.402 329 I N 2.879 123.554 120.570 0.175 0.000 2.406 329 I HA 0.152 4.322 4.170 0.001 0.000 0.290 329 I C -0.293 175.954 176.117 0.217 0.000 0.999 329 I CA -1.084 60.356 61.300 0.233 0.000 1.124 329 I CB 1.716 39.836 38.000 0.199 0.000 1.289 329 I HN 0.486 nan 8.210 nan 0.000 0.441 330 Q N 5.911 125.840 119.800 0.216 0.000 2.274 330 Q HA 0.400 4.741 4.340 0.001 0.000 0.260 330 Q C -0.704 175.389 176.000 0.154 0.000 0.974 330 Q CA -0.908 54.983 55.803 0.147 0.000 0.876 330 Q CB 2.156 30.927 28.738 0.056 0.000 1.297 330 Q HN 0.473 nan 8.270 nan 0.000 0.446 331 K N 2.190 122.587 120.400 -0.005 0.000 2.339 331 K HA 0.086 4.407 4.320 0.001 0.000 0.286 331 K C -0.213 176.152 176.600 -0.391 0.000 1.050 331 K CA -0.092 55.914 56.287 -0.468 0.000 0.956 331 K CB 0.669 32.884 32.500 -0.475 0.000 0.990 331 K HN 0.483 nan 8.250 nan 0.000 0.475 332 Q N 1.481 120.962 119.800 -0.531 0.000 2.298 332 Q HA 0.310 4.650 4.340 0.001 0.000 0.181 332 Q C 0.727 176.501 176.000 -0.378 0.000 1.004 332 Q CA -0.595 55.005 55.803 -0.339 0.000 1.050 332 Q CB 0.283 28.874 28.738 -0.245 0.000 1.254 332 Q HN 0.820 nan 8.270 nan 0.000 0.531 333 G N -0.192 108.458 108.800 -0.249 0.000 2.486 333 G HA2 0.068 4.028 3.960 0.001 0.000 0.272 333 G HA3 0.068 4.028 3.960 0.001 0.000 0.272 333 G C -0.652 174.111 174.900 -0.230 0.000 1.426 333 G CA -0.378 44.595 45.100 -0.212 0.000 1.058 333 G HN 0.512 nan 8.290 nan 0.000 0.531 334 Q N -1.111 118.593 119.800 -0.159 0.000 2.348 334 Q HA -0.113 4.227 4.340 0.001 0.000 0.357 334 Q C 1.312 177.247 176.000 -0.107 0.000 1.284 334 Q CA 1.488 57.219 55.803 -0.119 0.000 1.092 334 Q CB -1.864 26.815 28.738 -0.099 0.000 1.316 334 Q HN 1.925 nan 8.270 nan 0.000 0.399 335 G N -0.464 108.276 108.800 -0.099 0.000 2.321 335 G HA2 -0.351 3.609 3.960 0.001 0.000 0.287 335 G HA3 -0.351 3.609 3.960 0.001 0.000 0.287 335 G C -0.181 174.731 174.900 0.019 0.000 1.018 335 G CA 0.609 45.738 45.100 0.048 0.000 0.855 335 G HN 0.490 nan 8.290 nan 0.000 0.507 336 Q N -1.565 118.074 119.800 -0.269 0.000 2.274 336 Q HA 0.663 5.003 4.340 0.001 0.000 0.260 336 Q C -0.729 174.960 176.000 -0.519 0.000 0.974 336 Q CA -0.562 55.118 55.803 -0.206 0.000 0.876 336 Q CB 1.515 30.154 28.738 -0.164 0.000 1.297 336 Q HN 0.388 nan 8.270 nan 0.000 0.446 337 W N 0.272 121.601 121.300 0.049 0.000 3.138 337 W HA 0.417 5.077 4.660 0.001 0.000 0.331 337 W C -0.647 175.939 176.519 0.111 0.000 1.166 337 W CA -0.466 56.941 57.345 0.104 0.000 1.212 337 W CB 1.857 31.428 29.460 0.184 0.000 1.399 337 W HN 0.284 nan 8.180 nan 0.000 0.514 338 T N 2.283 117.004 114.554 0.279 0.000 2.856 338 T HA 0.593 4.943 4.350 0.001 0.000 0.283 338 T C -1.219 173.629 174.700 0.247 0.000 1.008 338 T CA -0.509 61.682 62.100 0.151 0.000 0.997 338 T CB 0.857 69.746 68.868 0.035 0.000 0.992 338 T HN 0.274 nan 8.240 nan 0.000 0.454 339 Y N 0.075 120.452 120.300 0.128 0.000 2.602 339 Y HA 0.817 5.367 4.550 0.001 0.000 0.342 339 Y C -0.589 175.352 175.900 0.069 0.000 1.029 339 Y CA -1.372 56.789 58.100 0.101 0.000 1.080 339 Y CB 1.389 39.911 38.460 0.103 0.000 1.284 339 Y HN 0.437 nan 8.280 nan 0.000 0.485 340 Q N 2.273 122.220 119.800 0.246 0.000 2.331 340 Q HA 0.647 4.987 4.340 0.001 0.000 0.272 340 Q C -1.561 174.561 176.000 0.203 0.000 1.062 340 Q CA -0.780 55.121 55.803 0.164 0.000 0.806 340 Q CB 3.366 32.154 28.738 0.084 0.000 1.312 340 Q HN 0.723 nan 8.270 nan 0.000 0.431 341 I N 2.977 123.645 120.570 0.164 0.000 2.433 341 I HA 0.549 4.720 4.170 0.001 0.000 0.292 341 I C -0.973 175.146 176.117 0.003 0.000 1.001 341 I CA -0.927 60.360 61.300 -0.023 0.000 1.119 341 I CB 0.899 38.901 38.000 0.002 0.000 1.289 341 I HN 0.655 nan 8.210 nan 0.000 0.438 342 Y N 2.934 123.131 120.300 -0.171 0.000 2.725 342 Y HA 0.499 5.049 4.550 0.001 0.000 0.333 342 Y C -0.355 175.449 175.900 -0.159 0.000 1.242 342 Y CA -0.847 57.166 58.100 -0.145 0.000 1.059 342 Y CB 1.065 39.447 38.460 -0.130 0.000 1.306 342 Y HN 0.454 nan 8.280 nan 0.000 0.454 343 Q N -0.109 119.760 119.800 0.114 0.000 2.534 343 Q HA 0.264 4.604 4.340 0.001 0.000 0.252 343 Q C -0.669 175.433 176.000 0.170 0.000 0.850 343 Q CA -0.044 55.782 55.803 0.038 0.000 0.974 343 Q CB 1.246 29.973 28.738 -0.017 0.000 1.205 343 Q HN 0.699 nan 8.270 nan 0.000 0.593 344 E N 1.180 121.482 120.200 0.171 0.000 2.204 344 E HA 0.116 4.467 4.350 0.001 0.000 0.276 344 E C -2.007 174.619 176.600 0.044 0.000 0.974 344 E CA -2.188 54.284 56.400 0.121 0.000 0.815 344 E CB 1.593 31.330 29.700 0.062 0.000 1.119 344 E HN -0.131 nan 8.360 nan 0.000 0.393 345 P HA -0.175 nan 4.420 nan 0.000 0.214 345 P C 0.044 176.973 177.300 -0.619 0.000 1.169 345 P CA 1.422 64.302 63.100 -0.367 0.000 0.908 345 P CB 0.161 31.873 31.700 0.020 0.000 0.791 346 F N -1.296 118.463 119.950 -0.319 0.000 2.772 346 F HA 0.246 4.774 4.527 0.001 0.000 0.302 346 F C 0.462 176.127 175.800 -0.224 0.000 1.136 346 F CA -0.066 57.766 58.000 -0.281 0.000 1.322 346 F CB -0.093 38.788 39.000 -0.199 0.000 0.967 346 F HN -0.338 nan 8.300 nan 0.000 0.513 347 K N 0.960 121.306 120.400 -0.090 0.000 2.540 347 K HA 0.235 4.556 4.320 0.001 0.000 0.218 347 K C -0.551 176.005 176.600 -0.072 0.000 1.017 347 K CA -0.644 55.598 56.287 -0.076 0.000 1.029 347 K CB 0.510 33.012 32.500 0.003 0.000 1.348 347 K HN -0.104 nan 8.250 nan 0.000 0.508 348 N N 2.118 120.731 118.700 -0.144 0.000 2.458 348 N HA -0.031 4.709 4.740 0.001 0.000 0.258 348 N C 0.817 176.330 175.510 0.005 0.000 1.219 348 N CA -0.120 52.895 53.050 -0.058 0.000 0.902 348 N CB 0.721 39.129 38.487 -0.131 0.000 1.076 348 N HN 0.322 nan 8.380 nan 0.000 0.455 349 L N 2.272 123.566 121.223 0.120 0.000 2.049 349 L HA 0.083 4.423 4.340 0.001 0.000 0.203 349 L C 0.923 178.025 176.870 0.388 0.000 1.074 349 L CA 1.757 56.749 54.840 0.253 0.000 0.749 349 L CB -0.449 41.724 42.059 0.189 0.000 0.907 349 L HN 0.784 nan 8.230 nan 0.000 0.439 350 K N -3.000 117.576 120.400 0.293 0.000 2.614 350 K HA 0.476 4.796 4.320 0.001 0.000 0.293 350 K C -0.942 175.745 176.600 0.145 0.000 1.045 350 K CA -0.290 56.168 56.287 0.285 0.000 0.880 350 K CB 1.342 34.033 32.500 0.318 0.000 1.552 350 K HN -0.051 nan 8.250 nan 0.000 0.404 351 T N -2.738 111.849 114.554 0.054 0.000 2.693 351 T HA 0.897 5.247 4.350 0.001 0.000 0.278 351 T C 0.086 174.576 174.700 -0.350 0.000 0.994 351 T CA -0.370 61.663 62.100 -0.112 0.000 1.033 351 T CB 1.677 70.464 68.868 -0.135 0.000 1.342 351 T HN 1.098 nan 8.240 nan 0.000 0.538 352 G N -0.209 108.081 108.800 -0.849 0.000 2.495 352 G HA2 0.603 4.564 3.960 0.001 0.000 0.294 352 G HA3 0.603 4.564 3.960 0.001 0.000 0.294 352 G C -2.210 172.249 174.900 -0.735 0.000 1.397 352 G CA -1.033 43.483 45.100 -0.974 0.000 0.790 352 G HN 0.990 nan 8.290 nan 0.000 0.486 353 K N -0.973 119.309 120.400 -0.195 0.000 2.513 353 K HA 0.641 4.961 4.320 0.001 0.000 0.251 353 K C -2.107 174.695 176.600 0.337 0.000 0.939 353 K CA -1.030 55.312 56.287 0.092 0.000 0.793 353 K CB 2.651 35.179 32.500 0.047 0.000 1.241 353 K HN 0.537 nan 8.250 nan 0.000 0.431 354 Y N 2.150 122.631 120.300 0.301 0.000 2.328 354 Y HA 0.574 5.124 4.550 0.001 0.000 0.337 354 Y C -0.272 175.795 175.900 0.279 0.000 0.966 354 Y CA -0.485 57.762 58.100 0.245 0.000 1.136 354 Y CB 1.856 40.419 38.460 0.172 0.000 1.170 354 Y HN 0.891 nan 8.280 nan 0.000 0.470 355 A N 5.820 128.447 122.820 -0.321 0.000 2.548 355 A HA 0.227 4.547 4.320 0.001 0.000 0.236 355 A C 0.661 178.005 177.584 -0.400 0.000 1.246 355 A CA -0.483 51.404 52.037 -0.250 0.000 0.993 355 A CB 0.009 18.957 19.000 -0.086 0.000 1.209 355 A HN 0.679 nan 8.150 nan 0.000 0.570 356 R N 0.130 120.243 120.500 -0.645 0.000 2.585 356 R HA 0.232 4.572 4.340 0.001 0.000 0.275 356 R C -0.618 175.532 176.300 -0.250 0.000 1.018 356 R CA 0.201 56.096 56.100 -0.341 0.000 1.072 356 R CB 0.140 30.330 30.300 -0.184 0.000 0.953 356 R HN 0.214 nan 8.270 nan 0.000 0.419 357 M N 5.317 124.857 119.600 -0.101 0.000 2.061 357 M HA 0.252 4.732 4.480 0.001 0.000 0.346 357 M C -0.699 175.600 176.300 -0.001 0.000 1.112 357 M CA -0.152 55.124 55.300 -0.039 0.000 1.021 357 M CB 0.886 33.467 32.600 -0.032 0.000 1.530 357 M HN 0.411 nan 8.290 nan 0.000 0.437 358 R N 3.852 124.371 120.500 0.033 0.000 2.312 358 R HA 0.827 5.167 4.340 0.001 0.000 0.311 358 R C -0.066 176.252 176.300 0.030 0.000 1.004 358 R CA -0.463 55.663 56.100 0.045 0.000 0.902 358 R CB 0.507 30.855 30.300 0.079 0.000 1.073 358 R HN 0.921 nan 8.270 nan 0.000 0.457 359 G N 0.817 109.623 108.800 0.011 0.000 2.895 359 G HA2 -0.063 3.898 3.960 0.001 0.000 0.686 359 G HA3 -0.063 3.898 3.960 0.001 0.000 0.686 359 G C 0.566 175.413 174.900 -0.088 0.000 1.108 359 G CA -0.311 44.780 45.100 -0.015 0.000 0.761 359 G HN 0.650 nan 8.290 nan 0.000 0.611 360 A N 2.309 125.006 122.820 -0.206 0.000 1.883 360 A HA 0.136 4.457 4.320 0.001 0.000 0.217 360 A C 1.107 178.374 177.584 -0.527 0.000 1.186 360 A CA 2.185 53.952 52.037 -0.450 0.000 0.624 360 A CB -0.353 18.206 19.000 -0.736 0.000 0.822 360 A HN 1.208 nan 8.150 nan 0.000 0.444 361 H N -2.252 116.847 119.070 0.047 0.000 2.637 361 H HA 0.676 5.233 4.556 0.001 0.000 0.363 361 H C -0.678 174.677 175.328 0.044 0.000 1.131 361 H CA 0.137 56.209 56.048 0.040 0.000 1.183 361 H CB 1.517 31.305 29.762 0.043 0.000 1.637 361 H HN 0.215 nan 8.280 nan 0.000 0.531 362 T N 1.241 115.878 114.554 0.138 0.000 2.700 362 T HA 0.310 4.660 4.350 0.001 0.000 0.307 362 T C -1.352 173.359 174.700 0.017 0.000 1.580 362 T CA -0.851 61.287 62.100 0.063 0.000 0.992 362 T CB 1.590 70.483 68.868 0.042 0.000 1.577 362 T HN 0.910 nan 8.240 nan 0.000 0.496 363 N N -0.082 118.583 118.700 -0.058 0.000 2.831 363 N HA 0.482 5.223 4.740 0.001 0.000 0.276 363 N C 0.071 175.540 175.510 -0.069 0.000 1.416 363 N CA -0.650 52.352 53.050 -0.081 0.000 0.799 363 N CB 0.351 38.739 38.487 -0.166 0.000 1.554 363 N HN 0.373 nan 8.380 nan 0.000 0.541 364 D N -0.594 119.810 120.400 0.006 0.000 2.178 364 D HA -0.042 4.598 4.640 0.001 0.000 0.202 364 D C 1.569 177.861 176.300 -0.012 0.000 0.974 364 D CA 0.975 55.068 54.000 0.156 0.000 0.841 364 D CB -0.008 40.959 40.800 0.279 0.000 0.953 364 D HN 0.339 nan 8.370 nan 0.000 0.478 365 V N 1.147 120.900 119.914 -0.269 0.000 2.548 365 V HA -0.154 3.966 4.120 0.001 0.000 0.249 365 V C 2.348 178.159 176.094 -0.471 0.000 1.055 365 V CA 1.132 63.162 62.300 -0.449 0.000 1.065 365 V CB -0.284 31.028 31.823 -0.852 0.000 0.681 365 V HN 0.124 nan 8.190 nan 0.000 0.462 366 K N 0.013 120.132 120.400 -0.469 0.000 2.025 366 K HA -0.167 4.153 4.320 0.001 0.000 0.207 366 K C 2.330 178.818 176.600 -0.188 0.000 1.049 366 K CA 1.476 57.612 56.287 -0.253 0.000 0.933 366 K CB -0.189 32.207 32.500 -0.172 0.000 0.714 366 K HN 0.528 nan 8.250 nan 0.000 0.438 367 Q N 0.834 120.539 119.800 -0.157 0.000 2.061 367 Q HA -0.131 4.210 4.340 0.001 0.000 0.204 367 Q C 2.208 177.868 176.000 -0.567 0.000 0.984 367 Q CA 1.039 56.748 55.803 -0.157 0.000 0.846 367 Q CB -0.160 28.638 28.738 0.100 0.000 0.902 367 Q HN 0.282 nan 8.270 nan 0.000 0.421 368 L N 0.668 121.419 121.223 -0.787 0.000 2.079 368 L HA -0.205 4.135 4.340 0.001 0.000 0.210 368 L C 1.900 178.337 176.870 -0.723 0.000 1.081 368 L CA 1.678 55.897 54.840 -1.035 0.000 0.752 368 L CB -0.586 41.048 42.059 -0.709 0.000 0.896 368 L HN 0.320 nan 8.230 nan 0.000 0.433 369 T N -0.310 113.945 114.554 -0.499 0.000 2.867 369 T HA -0.158 4.193 4.350 0.001 0.000 0.268 369 T C 1.608 176.059 174.700 -0.414 0.000 1.057 369 T CA 1.364 63.221 62.100 -0.405 0.000 1.136 369 T CB -0.030 68.768 68.868 -0.117 0.000 0.874 369 T HN 0.487 nan 8.240 nan 0.000 0.466 370 E N 0.991 120.944 120.200 -0.412 0.000 2.112 370 E HA 0.094 4.444 4.350 0.001 0.000 0.190 370 E C 2.556 178.617 176.600 -0.899 0.000 0.979 370 E CA 0.713 56.829 56.400 -0.474 0.000 0.814 370 E CB -0.149 29.407 29.700 -0.239 0.000 0.762 370 E HN 0.432 nan 8.360 nan 0.000 0.460 371 A N 1.172 123.394 122.820 -0.996 0.000 1.877 371 A HA -0.163 4.157 4.320 0.001 0.000 0.216 371 A C 2.519 179.709 177.584 -0.656 0.000 1.186 371 A CA 1.260 52.743 52.037 -0.923 0.000 0.620 371 A CB -0.833 17.780 19.000 -0.645 0.000 0.822 371 A HN 0.110 nan 8.150 nan 0.000 0.443 372 V N -0.340 119.171 119.914 -0.671 0.000 2.252 372 V HA -0.376 3.745 4.120 0.001 0.000 0.249 372 V C 2.707 178.482 176.094 -0.530 0.000 1.056 372 V CA 2.536 64.387 62.300 -0.749 0.000 1.022 372 V CB -0.975 30.223 31.823 -1.042 0.000 0.641 372 V HN 0.675 nan 8.190 nan 0.000 0.445 373 Q N -0.119 119.402 119.800 -0.465 0.000 2.029 373 Q HA -0.289 4.051 4.340 0.001 0.000 0.209 373 Q C 2.425 178.277 176.000 -0.247 0.000 0.999 373 Q CA 2.642 58.267 55.803 -0.298 0.000 0.857 373 Q CB -0.376 28.215 28.738 -0.245 0.000 0.926 373 Q HN 0.603 nan 8.270 nan 0.000 0.415 374 K N 0.406 120.604 120.400 -0.337 0.000 2.032 374 K HA -0.192 4.129 4.320 0.001 0.000 0.209 374 K C 1.935 178.418 176.600 -0.195 0.000 1.048 374 K CA 1.655 57.796 56.287 -0.244 0.000 0.927 374 K CB -0.273 32.046 32.500 -0.302 0.000 0.712 374 K HN 0.278 nan 8.250 nan 0.000 0.441 375 I N 1.282 121.684 120.570 -0.279 0.000 2.335 375 I HA -0.245 3.925 4.170 0.001 0.000 0.251 375 I C 2.147 178.219 176.117 -0.075 0.000 1.129 375 I CA 1.415 62.548 61.300 -0.280 0.000 1.402 375 I CB -0.457 37.319 38.000 -0.373 0.000 1.069 375 I HN 0.264 nan 8.210 nan 0.000 0.424 376 T N 0.151 114.706 114.554 0.002 0.000 2.708 376 T HA -0.153 4.198 4.350 0.001 0.000 0.266 376 T C 1.912 176.622 174.700 0.016 0.000 1.037 376 T CA 2.102 64.239 62.100 0.061 0.000 1.146 376 T CB -0.409 68.497 68.868 0.064 0.000 0.865 376 T HN 0.403 nan 8.240 nan 0.000 0.435 377 T N 1.694 116.238 114.554 -0.017 0.000 2.788 377 T HA -0.100 4.250 4.350 0.001 0.000 0.268 377 T C 1.880 176.566 174.700 -0.023 0.000 1.044 377 T CA 1.323 63.416 62.100 -0.011 0.000 1.139 377 T CB -0.236 68.622 68.868 -0.016 0.000 0.867 377 T HN 0.557 nan 8.240 nan 0.000 0.454 378 E N 1.227 121.403 120.200 -0.040 0.000 2.051 378 E HA -0.148 4.202 4.350 0.001 0.000 0.192 378 E C 2.240 178.778 176.600 -0.103 0.000 0.991 378 E CA 1.375 57.734 56.400 -0.069 0.000 0.799 378 E CB -0.119 29.548 29.700 -0.055 0.000 0.748 378 E HN 0.431 nan 8.360 nan 0.000 0.449 379 S N 0.833 116.542 115.700 0.016 0.000 2.370 379 S HA -0.172 4.298 4.470 0.001 0.000 0.226 379 S C 1.995 176.650 174.600 0.093 0.000 1.033 379 S CA 1.302 59.625 58.200 0.205 0.000 1.011 379 S CB -0.300 63.050 63.200 0.249 0.000 0.852 379 S HN 0.315 nan 8.310 nan 0.000 0.457 380 I N 1.016 121.608 120.570 0.037 0.000 2.315 380 I HA -0.135 4.036 4.170 0.001 0.000 0.248 380 I C 2.188 178.289 176.117 -0.027 0.000 1.117 380 I CA 0.710 62.026 61.300 0.025 0.000 1.404 380 I CB -0.375 37.643 38.000 0.029 0.000 1.071 380 I HN 0.156 nan 8.210 nan 0.000 0.419 381 V N 1.184 121.054 119.914 -0.074 0.000 2.223 381 V HA -0.291 3.829 4.120 0.001 0.000 0.244 381 V C 2.265 178.238 176.094 -0.201 0.000 1.045 381 V CA 2.039 64.276 62.300 -0.105 0.000 1.000 381 V CB -0.329 31.432 31.823 -0.103 0.000 0.635 381 V HN 0.290 nan 8.190 nan 0.000 0.445 382 I N -1.416 118.908 120.570 -0.409 0.000 2.202 382 I HA -0.225 3.945 4.170 0.001 0.000 0.242 382 I C 2.069 177.699 176.117 -0.812 0.000 1.091 382 I CA 1.730 62.574 61.300 -0.760 0.000 1.368 382 I CB -0.252 36.895 38.000 -1.422 0.000 1.058 382 I HN 0.442 nan 8.210 nan 0.000 0.410 383 W N 0.089 121.272 121.300 -0.195 0.000 2.998 383 W HA 0.374 5.034 4.660 0.001 0.000 0.336 383 W C 1.322 177.766 176.519 -0.125 0.000 1.112 383 W CA 0.503 57.677 57.345 -0.285 0.000 1.682 383 W CB -0.376 28.747 29.460 -0.563 0.000 1.065 383 W HN 0.273 nan 8.180 nan 0.000 0.570 384 G N 3.002 111.843 108.800 0.069 0.000 2.273 384 G HA2 -0.315 3.645 3.960 0.001 0.000 0.280 384 G HA3 -0.315 3.645 3.960 0.001 0.000 0.280 384 G C 0.158 175.114 174.900 0.093 0.000 1.047 384 G CA 1.248 46.389 45.100 0.068 0.000 0.869 384 G HN 0.409 nan 8.290 nan 0.000 0.502 385 K N -2.506 117.959 120.400 0.108 0.000 2.614 385 K HA 0.691 5.011 4.320 0.001 0.000 0.293 385 K C -0.798 175.843 176.600 0.068 0.000 1.045 385 K CA -0.879 55.458 56.287 0.084 0.000 0.880 385 K CB 0.484 33.034 32.500 0.084 0.000 1.552 385 K HN 0.054 nan 8.250 nan 0.000 0.404 386 T N 2.706 117.283 114.554 0.038 0.000 2.867 386 T HA 0.472 4.823 4.350 0.001 0.000 0.282 386 T C -2.510 172.126 174.700 -0.107 0.000 1.000 386 T CA -1.291 60.813 62.100 0.006 0.000 1.042 386 T CB 1.373 70.278 68.868 0.063 0.000 0.973 386 T HN 0.443 nan 8.240 nan 0.000 0.465 387 P HA 0.361 nan 4.420 nan 0.000 0.279 387 P C -0.871 176.078 177.300 -0.585 0.000 1.252 387 P CA -0.783 62.014 63.100 -0.505 0.000 0.811 387 P CB 1.005 32.267 31.700 -0.731 0.000 1.035 388 K N 1.458 121.574 120.400 -0.474 0.000 2.205 388 K HA 0.399 4.719 4.320 0.001 0.000 0.279 388 K C -0.188 176.146 176.600 -0.443 0.000 1.027 388 K CA -0.263 55.838 56.287 -0.310 0.000 0.932 388 K CB 0.395 32.791 32.500 -0.174 0.000 1.032 388 K HN 0.337 nan 8.250 nan 0.000 0.466 389 F N 1.327 121.223 119.950 -0.089 0.000 2.408 389 F HA 0.339 4.866 4.527 0.001 0.000 0.325 389 F C 0.372 176.171 175.800 -0.002 0.000 1.082 389 F CA -0.693 57.255 58.000 -0.086 0.000 1.032 389 F CB 1.086 40.001 39.000 -0.143 0.000 1.259 389 F HN 0.136 nan 8.300 nan 0.000 0.503 390 K N 2.482 122.997 120.400 0.192 0.000 2.626 390 K HA 0.465 4.786 4.320 0.001 0.000 0.223 390 K C -1.512 175.178 176.600 0.150 0.000 0.992 390 K CA -0.008 56.370 56.287 0.151 0.000 1.024 390 K CB 0.632 33.177 32.500 0.075 0.000 1.225 390 K HN 0.431 nan 8.250 nan 0.000 0.498 391 L N 3.521 124.865 121.223 0.201 0.000 2.325 391 L HA 0.582 4.923 4.340 0.001 0.000 0.278 391 L C -1.789 175.189 176.870 0.181 0.000 1.023 391 L CA -2.172 52.720 54.840 0.087 0.000 0.811 391 L CB 1.577 43.510 42.059 -0.211 0.000 1.249 391 L HN 0.322 nan 8.230 nan 0.000 0.431 392 P HA 0.192 nan 4.420 nan 0.000 0.226 392 P C -0.622 176.897 177.300 0.364 0.000 1.783 392 P CA 0.434 63.660 63.100 0.209 0.000 0.980 392 P CB 0.138 31.931 31.700 0.155 0.000 1.967 393 I N 0.348 121.242 120.570 0.541 0.000 2.649 393 I HA 0.176 4.346 4.170 0.001 0.000 0.289 393 I C -0.619 175.753 176.117 0.426 0.000 1.222 393 I CA -0.794 60.725 61.300 0.365 0.000 1.046 393 I CB 2.411 40.468 38.000 0.094 0.000 1.272 393 I HN -0.131 nan 8.210 nan 0.000 0.425 394 Q N 5.166 124.980 119.800 0.023 0.000 2.395 394 Q HA 0.046 4.387 4.340 0.001 0.000 0.271 394 Q C 0.545 176.647 176.000 0.171 0.000 1.026 394 Q CA -0.075 55.582 55.803 -0.244 0.000 0.900 394 Q CB 0.936 29.484 28.738 -0.318 0.000 1.266 394 Q HN 0.525 nan 8.270 nan 0.000 0.430 395 K N 1.987 122.430 120.400 0.072 0.000 2.113 395 K HA -0.215 4.105 4.320 0.001 0.000 0.208 395 K C 1.616 178.354 176.600 0.231 0.000 1.047 395 K CA 1.637 58.017 56.287 0.156 0.000 0.928 395 K CB 0.108 32.570 32.500 -0.064 0.000 0.716 395 K HN 0.494 nan 8.250 nan 0.000 0.446 396 E N -0.922 119.341 120.200 0.105 0.000 2.047 396 E HA -0.108 4.243 4.350 0.001 0.000 0.191 396 E C 1.958 178.654 176.600 0.160 0.000 0.987 396 E CA 1.772 58.234 56.400 0.104 0.000 0.799 396 E CB -0.501 29.215 29.700 0.027 0.000 0.752 396 E HN 0.240 nan 8.360 nan 0.000 0.449 397 T N 0.614 115.260 114.554 0.154 0.000 2.720 397 T HA -0.203 4.148 4.350 0.001 0.000 0.268 397 T C 1.338 176.212 174.700 0.290 0.000 1.037 397 T CA 1.260 63.458 62.100 0.162 0.000 1.144 397 T CB -0.405 68.534 68.868 0.117 0.000 0.864 397 T HN 0.394 nan 8.240 nan 0.000 0.444 398 W N 2.053 123.470 121.300 0.194 0.000 2.380 398 W HA -0.116 4.544 4.660 0.001 0.000 0.317 398 W C 2.139 178.871 176.519 0.355 0.000 1.196 398 W CA 1.066 58.572 57.345 0.269 0.000 1.307 398 W CB -0.171 29.483 29.460 0.323 0.000 1.157 398 W HN 0.240 nan 8.180 nan 0.000 0.483 399 E N -0.044 120.336 120.200 0.300 0.000 2.097 399 E HA -0.224 4.127 4.350 0.001 0.000 0.196 399 E C 1.926 178.698 176.600 0.287 0.000 1.000 399 E CA 2.521 59.075 56.400 0.257 0.000 0.804 399 E CB -0.628 29.209 29.700 0.228 0.000 0.740 399 E HN 0.294 nan 8.360 nan 0.000 0.454 400 T N 1.100 115.761 114.554 0.179 0.000 2.635 400 T HA -0.210 4.141 4.350 0.001 0.000 0.267 400 T C 1.378 176.112 174.700 0.056 0.000 1.040 400 T CA 1.443 63.608 62.100 0.109 0.000 1.156 400 T CB -0.620 68.311 68.868 0.105 0.000 0.863 400 T HN 0.464 nan 8.240 nan 0.000 0.430 401 W N 1.394 122.611 121.300 -0.139 0.000 2.335 401 W HA -0.167 4.493 4.660 0.001 0.000 0.311 401 W C 2.333 178.666 176.519 -0.310 0.000 1.213 401 W CA 1.362 58.552 57.345 -0.259 0.000 1.274 401 W CB -0.372 28.890 29.460 -0.330 0.000 1.148 401 W HN 0.498 nan 8.180 nan 0.000 0.498 402 W N 2.061 122.957 121.300 -0.673 0.000 2.425 402 W HA -0.110 4.551 4.660 0.001 0.000 0.277 402 W C 1.459 177.722 176.519 -0.426 0.000 1.231 402 W CA 1.771 58.693 57.345 -0.705 0.000 1.248 402 W CB -1.194 27.846 29.460 -0.700 0.000 1.117 402 W HN -0.235 nan 8.180 nan 0.000 0.568 403 T N 1.611 115.596 114.554 -0.948 0.000 2.851 403 T HA -0.130 4.221 4.350 0.001 0.000 0.262 403 T C 1.498 175.862 174.700 -0.561 0.000 1.043 403 T CA 1.785 63.361 62.100 -0.874 0.000 1.140 403 T CB -0.233 68.414 68.868 -0.367 0.000 0.872 403 T HN 0.202 nan 8.240 nan 0.000 0.446 404 E N -0.362 119.579 120.200 -0.432 0.000 2.347 404 E HA -0.036 4.314 4.350 0.001 0.000 0.196 404 E C -0.137 176.221 176.600 -0.405 0.000 1.008 404 E CA 0.333 56.538 56.400 -0.324 0.000 0.852 404 E CB 0.091 29.659 29.700 -0.221 0.000 0.783 404 E HN 0.371 nan 8.360 nan 0.000 0.505 405 Y N 0.837 120.594 120.300 -0.905 0.000 2.326 405 Y HA 0.068 4.619 4.550 0.001 0.000 0.337 405 Y C 0.186 175.671 175.900 -0.691 0.000 1.023 405 Y CA -2.111 55.328 58.100 -1.103 0.000 1.143 405 Y CB 0.288 37.765 38.460 -1.639 0.000 1.183 405 Y HN 0.026 nan 8.280 nan 0.000 0.485 406 W N 2.446 123.388 121.300 -0.597 0.000 2.800 406 W HA 0.178 4.838 4.660 0.001 0.000 0.249 406 W C -0.214 175.959 176.519 -0.577 0.000 1.294 406 W CA -0.202 56.842 57.345 -0.501 0.000 1.402 406 W CB -0.318 28.927 29.460 -0.357 0.000 1.126 406 W HN 0.281 nan 8.180 nan 0.000 0.652 407 Q N 1.248 120.330 119.800 -1.196 0.000 2.214 407 Q HA 0.483 4.823 4.340 0.001 0.000 0.251 407 Q C -0.083 175.665 176.000 -0.420 0.000 0.936 407 Q CA -0.284 55.072 55.803 -0.745 0.000 0.894 407 Q CB 1.572 29.739 28.738 -0.952 0.000 1.252 407 Q HN 0.114 nan 8.270 nan 0.000 0.448 408 A N 1.476 124.201 122.820 -0.159 0.000 2.450 408 A HA 0.407 4.727 4.320 0.001 0.000 0.255 408 A C 0.131 177.783 177.584 0.115 0.000 1.096 408 A CA 0.306 52.346 52.037 0.005 0.000 0.778 408 A CB 0.356 19.382 19.000 0.044 0.000 1.031 408 A HN 0.581 nan 8.150 nan 0.000 0.494 409 T N 1.529 116.239 114.554 0.260 0.000 2.894 409 T HA 0.565 4.916 4.350 0.001 0.000 0.309 409 T C -2.035 173.034 174.700 0.615 0.000 1.208 409 T CA -0.276 62.062 62.100 0.397 0.000 1.016 409 T CB 0.872 70.007 68.868 0.445 0.000 1.192 409 T HN 1.098 nan 8.240 nan 0.000 0.491 410 W N 4.803 126.317 121.300 0.358 0.000 3.479 410 W HA 0.706 5.367 4.660 0.001 0.000 0.304 410 W C -2.448 174.131 176.519 0.100 0.000 1.243 410 W CA -0.917 56.627 57.345 0.332 0.000 1.202 410 W CB 1.073 30.644 29.460 0.185 0.000 1.346 410 W HN 0.675 nan 8.180 nan 0.000 0.539 411 I N 7.180 127.197 120.570 -0.922 0.000 2.433 411 I HA 0.366 4.536 4.170 0.001 0.000 0.292 411 I C -1.736 173.380 176.117 -1.669 0.000 1.001 411 I CA -2.189 58.339 61.300 -1.286 0.000 1.119 411 I CB 1.911 38.984 38.000 -1.545 0.000 1.289 411 I HN 0.155 nan 8.210 nan 0.000 0.438 412 P HA 0.028 nan 4.420 nan 0.000 0.282 412 P C -0.524 176.633 177.300 -0.239 0.000 1.286 412 P CA -0.513 61.993 63.100 -0.989 0.000 0.777 412 P CB 0.331 31.799 31.700 -0.386 0.000 1.184 413 E N 0.763 120.987 120.200 0.041 0.000 2.765 413 E HA -0.046 4.305 4.350 0.001 0.000 0.256 413 E C -0.718 176.027 176.600 0.241 0.000 0.935 413 E CA 0.139 56.612 56.400 0.123 0.000 0.954 413 E CB -0.046 29.705 29.700 0.086 0.000 0.908 413 E HN 0.382 nan 8.360 nan 0.000 0.500 414 W N 3.189 124.432 121.300 -0.095 0.000 3.018 414 W HA 0.607 5.267 4.660 0.001 0.000 0.382 414 W C -1.410 175.081 176.519 -0.047 0.000 1.161 414 W CA -0.984 56.321 57.345 -0.067 0.000 1.144 414 W CB 0.483 29.851 29.460 -0.154 0.000 1.499 414 W HN 0.615 nan 8.180 nan 0.000 0.596 415 E N 0.630 120.928 120.200 0.163 0.000 2.366 415 E HA 0.456 4.806 4.350 0.001 0.000 0.278 415 E C -2.042 174.706 176.600 0.246 0.000 0.923 415 E CA -0.689 55.695 56.400 -0.027 0.000 0.761 415 E CB 2.849 32.543 29.700 -0.009 0.000 1.231 415 E HN 0.250 nan 8.360 nan 0.000 0.443 416 F N 3.362 123.320 119.950 0.012 0.000 2.410 416 F HA 0.510 5.037 4.527 0.001 0.000 0.334 416 F C -0.993 174.872 175.800 0.108 0.000 1.134 416 F CA -0.150 57.937 58.000 0.146 0.000 1.227 416 F CB 1.126 40.170 39.000 0.075 0.000 1.194 416 F HN 0.202 nan 8.300 nan 0.000 0.571 417 V N 5.692 125.012 119.914 -0.990 0.000 2.532 417 V HA 0.161 4.282 4.120 0.001 0.000 0.294 417 V C 0.366 175.841 176.094 -1.031 0.000 1.036 417 V CA -1.078 60.757 62.300 -0.776 0.000 0.876 417 V CB 1.170 32.835 31.823 -0.264 0.000 1.012 417 V HN 0.790 nan 8.190 nan 0.000 0.432 418 N N 1.598 119.783 118.700 -0.858 0.000 2.696 418 N HA -0.100 4.640 4.740 0.001 0.000 0.196 418 N C 1.097 176.517 175.510 -0.149 0.000 1.220 418 N CA 0.882 53.697 53.050 -0.392 0.000 0.940 418 N CB 0.223 38.643 38.487 -0.113 0.000 0.999 418 N HN 0.827 nan 8.380 nan 0.000 0.447 419 T N 2.764 117.219 114.554 -0.165 0.000 2.840 419 T HA 0.132 4.483 4.350 0.001 0.000 0.276 419 T C -2.350 172.347 174.700 -0.004 0.000 0.912 419 T CA -1.602 60.462 62.100 -0.060 0.000 1.116 419 T CB 0.637 69.473 68.868 -0.055 0.000 0.895 419 T HN 0.065 nan 8.240 nan 0.000 0.570 420 P HA 0.260 nan 4.420 nan 0.000 0.271 420 P C -2.583 174.727 177.300 0.017 0.000 1.233 420 P CA -1.522 61.600 63.100 0.037 0.000 0.789 420 P CB -0.442 31.280 31.700 0.037 0.000 0.951 421 P HA 0.177 nan 4.420 nan 0.000 0.276 421 P C 0.135 177.480 177.300 0.075 0.000 1.253 421 P CA 0.080 63.204 63.100 0.040 0.000 0.766 421 P CB 0.368 32.084 31.700 0.026 0.000 0.845 422 L N 2.865 124.152 121.223 0.106 0.000 2.499 422 L HA 0.079 4.420 4.340 0.001 0.000 0.281 422 L C 0.666 177.618 176.870 0.138 0.000 1.234 422 L CA -0.251 54.683 54.840 0.157 0.000 0.839 422 L CB 0.089 42.252 42.059 0.173 0.000 1.104 422 L HN 0.163 nan 8.230 nan 0.000 0.500 423 V N 2.830 122.846 119.914 0.169 0.000 2.383 423 V HA 0.294 4.415 4.120 0.001 0.000 0.275 423 V C 0.190 176.328 176.094 0.074 0.000 1.036 423 V CA -0.424 61.976 62.300 0.166 0.000 0.889 423 V CB 1.131 33.074 31.823 0.200 0.000 0.985 423 V HN 0.821 nan 8.190 nan 0.000 0.459 424 K N 4.850 125.261 120.400 0.018 0.000 2.433 424 K HA 0.767 5.088 4.320 0.001 0.000 0.252 424 K C -1.384 175.155 176.600 -0.102 0.000 1.015 424 K CA -1.060 55.153 56.287 -0.124 0.000 0.860 424 K CB 2.033 34.322 32.500 -0.352 0.000 1.359 424 K HN 0.396 nan 8.250 nan 0.000 0.452 425 L N 1.955 123.105 121.223 -0.123 0.000 2.281 425 L HA 0.259 4.599 4.340 0.001 0.000 0.285 425 L C -0.170 176.635 176.870 -0.110 0.000 1.074 425 L CA -0.668 54.124 54.840 -0.081 0.000 0.817 425 L CB 0.377 42.395 42.059 -0.069 0.000 1.168 425 L HN 0.717 nan 8.230 nan 0.000 0.434 426 W N 3.826 125.089 121.300 -0.061 0.000 3.180 426 W HA 0.098 4.758 4.660 0.001 0.000 0.254 426 W C -0.103 176.570 176.519 0.257 0.000 1.318 426 W CA -0.064 57.339 57.345 0.097 0.000 1.608 426 W CB -0.181 29.379 29.460 0.166 0.000 1.124 426 W HN 0.518 nan 8.180 nan 0.000 0.694 427 Y N -2.967 117.431 120.300 0.164 0.000 2.927 427 Y HA 0.430 4.980 4.550 0.001 0.000 0.392 427 Y C -1.472 174.489 175.900 0.102 0.000 1.159 427 Y CA -2.145 56.024 58.100 0.115 0.000 1.220 427 Y CB 0.308 38.845 38.460 0.128 0.000 1.506 427 Y HN -0.240 nan 8.280 nan 0.000 0.481 428 Q N 1.832 121.756 119.800 0.207 0.000 2.304 428 Q HA 0.633 4.974 4.340 0.001 0.000 0.270 428 Q C -1.759 174.358 176.000 0.195 0.000 1.035 428 Q CA -0.583 55.287 55.803 0.111 0.000 0.781 428 Q CB 1.922 30.710 28.738 0.083 0.000 1.261 428 Q HN 0.787 nan 8.270 nan 0.000 0.444 429 L N 2.852 124.175 121.223 0.167 0.000 2.371 429 L HA 0.356 4.697 4.340 0.001 0.000 0.272 429 L C 0.535 177.496 176.870 0.152 0.000 1.124 429 L CA -0.682 54.260 54.840 0.169 0.000 0.816 429 L CB 0.778 42.922 42.059 0.141 0.000 1.129 429 L HN 0.569 nan 8.230 nan 0.000 0.448 430 E N 2.638 122.956 120.200 0.197 0.000 2.390 430 E HA 0.010 4.360 4.350 0.001 0.000 0.261 430 E C 0.586 177.354 176.600 0.281 0.000 1.076 430 E CA -0.174 56.358 56.400 0.220 0.000 0.905 430 E CB 1.018 30.869 29.700 0.250 0.000 0.984 430 E HN 0.423 nan 8.360 nan 0.000 0.427 431 K N 0.718 121.238 120.400 0.199 0.000 2.308 431 K HA 0.102 4.423 4.320 0.001 0.000 0.197 431 K C 0.117 176.856 176.600 0.232 0.000 1.049 431 K CA 0.667 57.075 56.287 0.203 0.000 0.991 431 K CB 0.559 33.118 32.500 0.098 0.000 0.836 431 K HN 0.214 nan 8.250 nan 0.000 0.500 432 E N 2.484 122.716 120.200 0.053 0.000 2.244 432 E HA 0.402 4.753 4.350 0.001 0.000 0.266 432 E C -2.566 173.630 176.600 -0.672 0.000 0.914 432 E CA -2.671 53.608 56.400 -0.202 0.000 0.794 432 E CB 1.635 31.263 29.700 -0.119 0.000 1.210 432 E HN 0.019 nan 8.360 nan 0.000 0.414 433 P HA 0.177 nan 4.420 nan 0.000 0.271 433 P C -0.072 176.965 177.300 -0.437 0.000 1.218 433 P CA -0.036 62.364 63.100 -1.168 0.000 0.780 433 P CB 0.611 31.868 31.700 -0.739 0.000 0.901 434 I N 2.021 122.445 120.570 -0.245 0.000 2.352 434 I HA 0.111 4.282 4.170 0.001 0.000 0.290 434 I C 0.608 176.683 176.117 -0.070 0.000 1.036 434 I CA -0.969 60.271 61.300 -0.100 0.000 1.336 434 I CB 0.837 38.825 38.000 -0.020 0.000 1.407 434 I HN 0.034 nan 8.210 nan 0.000 0.497 435 V N 5.904 125.783 119.914 -0.058 0.000 2.585 435 V HA 0.163 4.284 4.120 0.001 0.000 0.296 435 V C 1.217 177.301 176.094 -0.017 0.000 1.035 435 V CA 0.377 62.656 62.300 -0.036 0.000 1.084 435 V CB 0.501 32.306 31.823 -0.031 0.000 0.953 435 V HN 1.142 nan 8.190 nan 0.000 0.483 436 G N 3.594 112.388 108.800 -0.009 0.000 2.333 436 G HA2 0.133 4.093 3.960 0.001 0.000 0.296 436 G HA3 0.133 4.093 3.960 0.001 0.000 0.296 436 G C 0.000 174.906 174.900 0.009 0.000 1.059 436 G CA 0.212 45.312 45.100 0.001 0.000 1.050 436 G HN 1.749 nan 8.290 nan 0.000 0.508 437 A N -0.197 122.632 122.820 0.015 0.000 2.427 437 A HA 0.772 5.093 4.320 0.001 0.000 0.298 437 A C 0.007 177.623 177.584 0.053 0.000 1.036 437 A CA -0.067 51.991 52.037 0.036 0.000 0.701 437 A CB 1.179 20.201 19.000 0.037 0.000 1.250 437 A HN 0.712 nan 8.150 nan 0.000 0.412 438 E N 1.355 121.603 120.200 0.081 0.000 2.465 438 E HA 0.184 4.534 4.350 0.001 0.000 0.260 438 E C -0.491 176.183 176.600 0.123 0.000 0.980 438 E CA 0.416 56.855 56.400 0.065 0.000 0.927 438 E CB 0.421 30.161 29.700 0.066 0.000 0.934 438 E HN 0.531 nan 8.360 nan 0.000 0.459 439 T N 5.316 119.880 114.554 0.016 0.000 2.743 439 T HA 0.265 4.616 4.350 0.001 0.000 0.293 439 T C -0.747 173.898 174.700 -0.090 0.000 0.945 439 T CA -0.230 61.865 62.100 -0.008 0.000 1.030 439 T CB 0.001 68.831 68.868 -0.063 0.000 0.912 439 T HN 0.223 nan 8.240 nan 0.000 0.483 440 F N 2.782 122.582 119.950 -0.249 0.000 2.427 440 F HA 0.416 4.944 4.527 0.001 0.000 0.346 440 F C -0.186 175.445 175.800 -0.282 0.000 1.120 440 F CA -1.249 56.628 58.000 -0.205 0.000 1.033 440 F CB 0.852 39.715 39.000 -0.228 0.000 1.126 440 F HN 0.520 nan 8.300 nan 0.000 0.462 441 Y N 3.341 123.740 120.300 0.165 0.000 2.385 441 Y HA 0.511 5.061 4.550 0.001 0.000 0.341 441 Y C 0.126 176.131 175.900 0.174 0.000 0.965 441 Y CA -0.988 57.185 58.100 0.123 0.000 1.180 441 Y CB 1.060 39.553 38.460 0.056 0.000 1.139 441 Y HN 0.397 nan 8.280 nan 0.000 0.502 442 V N -0.182 119.879 119.914 0.245 0.000 2.881 442 V HA 0.834 4.954 4.120 0.001 0.000 0.316 442 V C -0.866 175.319 176.094 0.151 0.000 1.070 442 V CA -0.510 61.929 62.300 0.231 0.000 0.976 442 V CB 2.216 34.159 31.823 0.200 0.000 1.038 442 V HN 0.629 nan 8.190 nan 0.000 0.446 443 D N 0.124 120.602 120.400 0.130 0.000 2.683 443 D HA 0.684 5.325 4.640 0.001 0.000 0.246 443 D C -0.541 175.805 176.300 0.077 0.000 1.238 443 D CA 0.448 54.498 54.000 0.084 0.000 0.759 443 D CB 2.168 43.000 40.800 0.053 0.000 1.349 443 D HN 1.162 nan 8.370 nan 0.000 0.426 444 G N -0.461 108.380 108.800 0.068 0.000 2.574 444 G HA2 0.862 4.822 3.960 0.001 0.000 0.299 444 G HA3 0.862 4.822 3.960 0.001 0.000 0.299 444 G C -1.556 173.377 174.900 0.055 0.000 1.298 444 G CA -0.330 44.806 45.100 0.061 0.000 0.952 444 G HN 0.580 nan 8.290 nan 0.000 0.477 445 A N -0.746 122.102 122.820 0.047 0.000 2.520 445 A HA 0.952 5.273 4.320 0.001 0.000 0.298 445 A C -0.565 177.040 177.584 0.034 0.000 1.051 445 A CA -0.038 52.028 52.037 0.048 0.000 0.690 445 A CB 1.669 20.701 19.000 0.052 0.000 1.281 445 A HN 2.227 nan 8.150 nan 0.000 0.402 446 A N 1.694 124.532 122.820 0.029 0.000 2.393 446 A HA 0.682 5.003 4.320 0.001 0.000 0.306 446 A C -0.577 177.016 177.584 0.016 0.000 1.050 446 A CA -0.694 51.354 52.037 0.019 0.000 0.724 446 A CB 0.997 20.006 19.000 0.013 0.000 1.248 446 A HN 0.862 nan 8.150 nan 0.000 0.424 447 N N 1.829 120.536 118.700 0.012 0.000 2.399 447 N HA 0.054 4.794 4.740 0.001 0.000 0.259 447 N C 0.969 176.482 175.510 0.006 0.000 1.160 447 N CA -0.009 53.046 53.050 0.008 0.000 0.946 447 N CB 0.467 38.958 38.487 0.007 0.000 1.156 447 N HN 0.680 nan 8.380 nan 0.000 0.489 448 R N 2.504 123.007 120.500 0.004 0.000 2.127 448 R HA -0.168 4.173 4.340 0.001 0.000 0.238 448 R C 1.444 177.745 176.300 0.002 0.000 1.134 448 R CA 1.466 57.568 56.100 0.002 0.000 0.975 448 R CB 0.126 30.427 30.300 0.001 0.000 0.865 448 R HN 0.676 nan 8.270 nan 0.000 0.447 449 E N -0.381 119.821 120.200 0.002 0.000 2.051 449 E HA -0.105 4.246 4.350 0.001 0.000 0.189 449 E C 1.621 178.223 176.600 0.003 0.000 0.979 449 E CA 1.562 57.963 56.400 0.002 0.000 0.803 449 E CB 0.282 29.982 29.700 0.001 0.000 0.761 449 E HN 0.374 nan 8.360 nan 0.000 0.451 450 T N -2.507 112.049 114.554 0.004 0.000 3.044 450 T HA 0.166 4.516 4.350 0.001 0.000 0.250 450 T C 0.564 175.267 174.700 0.005 0.000 1.081 450 T CA 0.128 62.231 62.100 0.004 0.000 1.040 450 T CB 0.228 69.099 68.868 0.004 0.000 0.962 450 T HN -0.033 nan 8.240 nan 0.000 0.506 451 K N -0.239 120.164 120.400 0.005 0.000 3.230 451 K HA -0.069 4.251 4.320 0.001 0.000 0.285 451 K C -0.911 175.694 176.600 0.009 0.000 1.196 451 K CA 0.258 56.548 56.287 0.006 0.000 0.838 451 K CB -2.371 30.133 32.500 0.006 0.000 1.262 451 K HN 0.410 nan 8.250 nan 0.000 0.492 452 L N -0.490 120.739 121.223 0.009 0.000 2.325 452 L HA 0.747 5.087 4.340 0.001 0.000 0.278 452 L C 1.090 177.967 176.870 0.013 0.000 1.023 452 L CA 0.100 54.946 54.840 0.010 0.000 0.811 452 L CB 1.638 43.702 42.059 0.008 0.000 1.249 452 L HN 0.219 nan 8.230 nan 0.000 0.431 453 G N 2.123 110.933 108.800 0.015 0.000 2.680 453 G HA2 0.743 4.703 3.960 0.001 0.000 0.290 453 G HA3 0.743 4.703 3.960 0.001 0.000 0.290 453 G C -1.387 173.524 174.900 0.018 0.000 1.355 453 G CA -0.593 44.519 45.100 0.019 0.000 0.903 453 G HN 0.281 nan 8.290 nan 0.000 0.474 454 K N -0.325 120.086 120.400 0.019 0.000 2.371 454 K HA 0.769 5.089 4.320 0.001 0.000 0.251 454 K C -0.881 175.733 176.600 0.023 0.000 0.934 454 K CA -0.744 55.552 56.287 0.014 0.000 0.798 454 K CB 2.602 35.105 32.500 0.005 0.000 1.204 454 K HN 0.767 nan 8.250 nan 0.000 0.427 455 A N 0.926 123.759 122.820 0.022 0.000 2.401 455 A HA 0.930 5.251 4.320 0.001 0.000 0.310 455 A C -0.325 177.263 177.584 0.006 0.000 1.075 455 A CA -0.285 51.775 52.037 0.038 0.000 0.746 455 A CB 1.992 21.030 19.000 0.065 0.000 1.277 455 A HN 0.783 nan 8.150 nan 0.000 0.425 456 G N -0.484 108.327 108.800 0.017 0.000 2.428 456 G HA2 0.651 4.612 3.960 0.001 0.000 0.304 456 G HA3 0.651 4.612 3.960 0.001 0.000 0.304 456 G C -1.572 173.352 174.900 0.041 0.000 1.303 456 G CA 0.141 45.193 45.100 -0.080 0.000 0.825 456 G HN 1.885 nan 8.290 nan 0.000 0.484 457 Y N -2.376 117.985 120.300 0.103 0.000 2.625 457 Y HA 0.827 5.377 4.550 0.001 0.000 0.338 457 Y C -0.980 174.968 175.900 0.079 0.000 1.123 457 Y CA -1.734 56.447 58.100 0.134 0.000 1.046 457 Y CB 1.371 39.983 38.460 0.254 0.000 1.299 457 Y HN 0.520 nan 8.280 nan 0.000 0.464 458 V N 2.014 122.131 119.914 0.338 0.000 2.555 458 V HA 0.705 4.825 4.120 0.001 0.000 0.302 458 V C -0.121 176.091 176.094 0.196 0.000 1.038 458 V CA -0.173 62.263 62.300 0.227 0.000 0.887 458 V CB 1.932 33.819 31.823 0.108 0.000 0.991 458 V HN 1.081 nan 8.190 nan 0.000 0.434 459 T N 0.104 114.660 114.554 0.004 0.000 2.950 459 T HA 0.287 4.638 4.350 0.001 0.000 0.288 459 T C 0.949 175.616 174.700 -0.054 0.000 1.035 459 T CA -0.535 61.432 62.100 -0.222 0.000 1.028 459 T CB 1.386 69.840 68.868 -0.690 0.000 1.109 459 T HN 0.687 nan 8.240 nan 0.000 0.514 460 N N 0.964 119.650 118.700 -0.023 0.000 2.512 460 N HA -0.090 4.651 4.740 0.001 0.000 0.183 460 N C 1.192 176.691 175.510 -0.019 0.000 1.073 460 N CA 0.299 53.371 53.050 0.036 0.000 0.911 460 N CB -0.144 38.389 38.487 0.077 0.000 0.964 460 N HN 0.625 nan 8.380 nan 0.000 0.447 461 R N -0.633 119.825 120.500 -0.069 0.000 2.317 461 R HA 0.156 4.496 4.340 0.001 0.000 0.208 461 R C 0.694 176.967 176.300 -0.044 0.000 0.914 461 R CA 0.511 56.579 56.100 -0.054 0.000 1.060 461 R CB 0.321 30.581 30.300 -0.067 0.000 1.015 461 R HN 0.451 nan 8.270 nan 0.000 0.498 462 G N 1.526 110.300 108.800 -0.044 0.000 2.218 462 G HA2 -0.254 3.706 3.960 0.001 0.000 0.216 462 G HA3 -0.254 3.706 3.960 0.001 0.000 0.216 462 G C -0.001 174.891 174.900 -0.014 0.000 0.994 462 G CA -0.394 44.692 45.100 -0.024 0.000 0.637 462 G HN 0.315 nan 8.290 nan 0.000 0.505 463 R N 0.523 121.010 120.500 -0.021 0.000 2.531 463 R HA 0.636 4.977 4.340 0.001 0.000 0.273 463 R C 0.020 176.370 176.300 0.085 0.000 1.070 463 R CA 0.003 56.121 56.100 0.029 0.000 1.112 463 R CB 0.510 30.837 30.300 0.045 0.000 1.049 463 R HN 0.625 nan 8.270 nan 0.000 0.508 464 Q N 0.742 120.590 119.800 0.080 0.000 2.313 464 Q HA 0.401 4.741 4.340 0.001 0.000 0.260 464 Q C -1.797 174.107 176.000 -0.160 0.000 0.972 464 Q CA -1.010 54.794 55.803 0.001 0.000 0.886 464 Q CB 2.254 30.984 28.738 -0.014 0.000 1.373 464 Q HN 0.667 nan 8.270 nan 0.000 0.416 465 K N 2.077 122.169 120.400 -0.513 0.000 2.375 465 K HA 0.715 5.036 4.320 0.001 0.000 0.249 465 K C -1.683 174.669 176.600 -0.413 0.000 0.942 465 K CA -0.848 55.166 56.287 -0.454 0.000 0.806 465 K CB 2.478 34.673 32.500 -0.509 0.000 1.227 465 K HN 0.538 nan 8.250 nan 0.000 0.430 466 V N 3.587 123.372 119.914 -0.215 0.000 2.531 466 V HA 0.355 4.475 4.120 0.001 0.000 0.301 466 V C -0.759 175.282 176.094 -0.089 0.000 1.034 466 V CA -0.904 61.312 62.300 -0.140 0.000 0.865 466 V CB 1.866 33.638 31.823 -0.084 0.000 0.995 466 V HN 0.535 nan 8.190 nan 0.000 0.424 467 V N 4.151 124.028 119.914 -0.062 0.000 2.394 467 V HA 0.429 4.549 4.120 0.001 0.000 0.282 467 V C 0.534 176.624 176.094 -0.006 0.000 1.031 467 V CA -0.457 61.829 62.300 -0.024 0.000 0.881 467 V CB 2.127 33.949 31.823 -0.002 0.000 0.982 467 V HN 1.024 nan 8.190 nan 0.000 0.451 468 T N 4.724 119.277 114.554 -0.002 0.000 2.817 468 T HA 0.720 5.070 4.350 0.001 0.000 0.293 468 T C -0.547 174.162 174.700 0.015 0.000 0.964 468 T CA -0.461 61.643 62.100 0.006 0.000 1.085 468 T CB 0.701 69.570 68.868 0.003 0.000 0.921 468 T HN 0.350 nan 8.240 nan 0.000 0.502 469 L N 2.032 123.267 121.223 0.020 0.000 2.333 469 L HA 0.720 5.060 4.340 0.001 0.000 0.269 469 L C 0.445 177.327 176.870 0.020 0.000 1.010 469 L CA -1.032 53.823 54.840 0.025 0.000 0.818 469 L CB 2.449 44.528 42.059 0.034 0.000 1.306 469 L HN 0.758 nan 8.230 nan 0.000 0.430 470 T N -0.963 113.603 114.554 0.020 0.000 2.887 470 T HA 0.331 4.682 4.350 0.001 0.000 0.288 470 T C -0.416 174.294 174.700 0.016 0.000 1.021 470 T CA -0.124 61.986 62.100 0.016 0.000 1.000 470 T CB 0.999 69.876 68.868 0.014 0.000 1.034 470 T HN 0.742 nan 8.240 nan 0.000 0.467 471 D N 1.664 122.072 120.400 0.013 0.000 2.716 471 D HA -0.138 4.502 4.640 0.001 0.000 0.239 471 D C -0.169 176.139 176.300 0.013 0.000 1.125 471 D CA 1.615 55.622 54.000 0.012 0.000 0.681 471 D CB -0.941 39.866 40.800 0.012 0.000 1.070 471 D HN 0.579 nan 8.370 nan 0.000 0.432 472 T N -1.330 113.232 114.554 0.013 0.000 2.841 472 T HA 0.817 5.168 4.350 0.001 0.000 0.276 472 T C -0.138 174.565 174.700 0.006 0.000 1.003 472 T CA 0.315 62.423 62.100 0.014 0.000 0.995 472 T CB 1.505 70.385 68.868 0.021 0.000 1.260 472 T HN 0.311 nan 8.240 nan 0.000 0.581 473 T N -1.154 113.401 114.554 0.000 0.000 2.901 473 T HA 0.424 4.775 4.350 0.001 0.000 0.293 473 T C 0.977 175.666 174.700 -0.019 0.000 1.084 473 T CA -0.681 61.410 62.100 -0.015 0.000 1.008 473 T CB 1.244 70.091 68.868 -0.035 0.000 1.170 473 T HN 0.619 nan 8.240 nan 0.000 0.509 474 N N 0.052 118.736 118.700 -0.027 0.000 2.036 474 N HA -0.228 4.513 4.740 0.001 0.000 0.195 474 N C 1.803 177.292 175.510 -0.036 0.000 1.037 474 N CA 1.754 54.794 53.050 -0.016 0.000 0.855 474 N CB -0.117 38.362 38.487 -0.014 0.000 1.033 474 N HN 0.608 nan 8.380 nan 0.000 0.423 475 Q N 0.882 120.603 119.800 -0.131 0.000 2.084 475 Q HA -0.098 4.242 4.340 0.001 0.000 0.202 475 Q C 1.786 177.760 176.000 -0.043 0.000 0.978 475 Q CA 1.340 56.996 55.803 -0.245 0.000 0.844 475 Q CB 0.020 28.297 28.738 -0.767 0.000 0.898 475 Q HN 0.319 nan 8.270 nan 0.000 0.426 476 K N -0.063 120.323 120.400 -0.024 0.000 2.057 476 K HA -0.129 4.191 4.320 0.001 0.000 0.207 476 K C 2.297 178.940 176.600 0.071 0.000 1.049 476 K CA 1.730 58.046 56.287 0.049 0.000 0.931 476 K CB -0.486 32.033 32.500 0.032 0.000 0.714 476 K HN 0.454 nan 8.250 nan 0.000 0.440 477 T N -0.751 113.835 114.554 0.053 0.000 2.833 477 T HA -0.163 4.188 4.350 0.001 0.000 0.269 477 T C 1.920 176.674 174.700 0.090 0.000 1.054 477 T CA 1.357 63.496 62.100 0.065 0.000 1.135 477 T CB -0.064 68.834 68.868 0.049 0.000 0.869 477 T HN 0.192 nan 8.240 nan 0.000 0.466 478 E N 0.416 120.677 120.200 0.101 0.000 2.216 478 E HA 0.192 4.543 4.350 0.001 0.000 0.192 478 E C 2.034 178.725 176.600 0.153 0.000 0.988 478 E CA 0.315 56.792 56.400 0.129 0.000 0.834 478 E CB -0.311 29.477 29.700 0.147 0.000 0.772 478 E HN 0.490 nan 8.360 nan 0.000 0.479 479 L N 0.365 121.691 121.223 0.171 0.000 2.109 479 L HA -0.149 4.191 4.340 0.001 0.000 0.207 479 L C 2.314 179.270 176.870 0.143 0.000 1.086 479 L CA 0.749 55.680 54.840 0.152 0.000 0.760 479 L CB -0.152 42.005 42.059 0.163 0.000 0.910 479 L HN 0.213 nan 8.230 nan 0.000 0.437 480 Q N -0.436 119.452 119.800 0.145 0.000 2.124 480 Q HA -0.184 4.157 4.340 0.001 0.000 0.202 480 Q C 2.313 178.427 176.000 0.189 0.000 0.977 480 Q CA 1.694 57.605 55.803 0.181 0.000 0.850 480 Q CB -0.217 28.603 28.738 0.137 0.000 0.901 480 Q HN 0.540 nan 8.270 nan 0.000 0.429 481 A N 0.858 123.770 122.820 0.154 0.000 1.898 481 A HA -0.111 4.210 4.320 0.001 0.000 0.216 481 A C 2.122 179.805 177.584 0.165 0.000 1.181 481 A CA 0.877 53.011 52.037 0.163 0.000 0.620 481 A CB -0.619 18.470 19.000 0.149 0.000 0.819 481 A HN 0.302 nan 8.150 nan 0.000 0.442 482 I N -1.597 119.053 120.570 0.134 0.000 2.423 482 I HA -0.256 3.914 4.170 0.001 0.000 0.254 482 I C 2.428 178.605 176.117 0.100 0.000 1.151 482 I CA 1.464 62.815 61.300 0.085 0.000 1.421 482 I CB -0.303 37.737 38.000 0.067 0.000 1.079 482 I HN 0.540 nan 8.210 nan 0.000 0.431 483 Y N 1.001 121.304 120.300 0.005 0.000 2.337 483 Y HA -0.134 4.417 4.550 0.001 0.000 0.293 483 Y C 2.132 178.032 175.900 -0.000 0.000 1.123 483 Y CA 1.064 59.156 58.100 -0.013 0.000 1.201 483 Y CB -0.205 38.257 38.460 0.004 0.000 1.011 483 Y HN 0.012 nan 8.280 nan 0.000 0.545 484 L N 0.126 121.329 121.223 -0.034 0.000 2.109 484 L HA -0.020 4.320 4.340 0.001 0.000 0.207 484 L C 2.555 179.414 176.870 -0.018 0.000 1.086 484 L CA 1.840 56.661 54.840 -0.031 0.000 0.760 484 L CB -1.075 41.093 42.059 0.182 0.000 0.910 484 L HN 0.233 nan 8.230 nan 0.000 0.437 485 A N -1.021 121.742 122.820 -0.095 0.000 1.930 485 A HA -0.129 4.191 4.320 0.001 0.000 0.217 485 A C 2.233 179.404 177.584 -0.688 0.000 1.175 485 A CA 1.467 53.142 52.037 -0.603 0.000 0.627 485 A CB -0.667 17.968 19.000 -0.609 0.000 0.815 485 A HN 0.415 nan 8.150 nan 0.000 0.443 486 L N -0.910 120.089 121.223 -0.373 0.000 2.056 486 L HA -0.236 4.104 4.340 0.001 0.000 0.207 486 L C 2.888 179.606 176.870 -0.253 0.000 1.078 486 L CA 1.475 56.142 54.840 -0.289 0.000 0.749 486 L CB -0.598 41.386 42.059 -0.126 0.000 0.901 486 L HN 0.470 nan 8.230 nan 0.000 0.433 487 Q N -0.191 119.446 119.800 -0.272 0.000 2.096 487 Q HA -0.212 4.129 4.340 0.001 0.000 0.204 487 Q C 0.731 176.650 176.000 -0.136 0.000 0.982 487 Q CA 1.465 57.133 55.803 -0.226 0.000 0.850 487 Q CB -0.040 28.503 28.738 -0.327 0.000 0.901 487 Q HN 0.454 nan 8.270 nan 0.000 0.422 488 D N -0.080 120.241 120.400 -0.131 0.000 2.388 488 D HA 0.061 4.701 4.640 0.001 0.000 0.221 488 D C -0.217 176.095 176.300 0.019 0.000 1.133 488 D CA 0.121 54.117 54.000 -0.006 0.000 0.831 488 D CB 0.356 41.248 40.800 0.153 0.000 0.962 488 D HN 0.111 nan 8.370 nan 0.000 0.502 489 S N -1.652 113.968 115.700 -0.133 0.000 2.677 489 S HA 0.795 5.266 4.470 0.001 0.000 0.304 489 S C 0.678 175.253 174.600 -0.042 0.000 1.108 489 S CA -0.912 57.247 58.200 -0.069 0.000 0.944 489 S CB 2.004 64.983 63.200 -0.368 0.000 1.127 489 S HN 0.021 nan 8.310 nan 0.000 0.511 490 G N -0.168 108.635 108.800 0.005 0.000 2.508 490 G HA2 0.410 4.370 3.960 0.001 0.000 0.278 490 G HA3 0.410 4.370 3.960 0.001 0.000 0.278 490 G C 0.419 175.311 174.900 -0.014 0.000 1.389 490 G CA -0.739 44.363 45.100 0.003 0.000 1.050 490 G HN 0.524 nan 8.290 nan 0.000 0.522 491 L N -0.269 120.953 121.223 -0.002 0.000 2.265 491 L HA 0.099 4.439 4.340 0.001 0.000 0.215 491 L C 1.284 178.155 176.870 0.002 0.000 1.117 491 L CA 1.132 55.972 54.840 -0.001 0.000 0.782 491 L CB -1.033 41.031 42.059 0.009 0.000 0.914 491 L HN 0.487 nan 8.230 nan 0.000 0.441 492 E N -1.336 118.869 120.200 0.007 0.000 2.234 492 E HA 0.581 4.932 4.350 0.001 0.000 0.266 492 E C -1.206 175.405 176.600 0.018 0.000 0.877 492 E CA -0.332 56.078 56.400 0.016 0.000 0.758 492 E CB 3.101 32.815 29.700 0.022 0.000 1.170 492 E HN -0.184 nan 8.360 nan 0.000 0.415 493 V N 2.646 122.570 119.914 0.017 0.000 3.120 493 V HA 0.369 4.490 4.120 0.001 0.000 0.303 493 V C -1.793 174.336 176.094 0.058 0.000 1.238 493 V CA -0.766 61.546 62.300 0.020 0.000 1.008 493 V CB 2.604 34.363 31.823 -0.107 0.000 1.064 493 V HN 0.644 nan 8.190 nan 0.000 0.434 494 N N 4.391 123.149 118.700 0.097 0.000 2.392 494 N HA 0.633 5.373 4.740 0.001 0.000 0.283 494 N C -1.203 174.346 175.510 0.065 0.000 1.003 494 N CA -0.183 52.947 53.050 0.135 0.000 0.892 494 N CB 2.074 40.634 38.487 0.121 0.000 1.193 494 N HN 0.582 nan 8.380 nan 0.000 0.487 495 I N 1.767 122.342 120.570 0.009 0.000 2.436 495 I HA 0.335 4.506 4.170 0.001 0.000 0.289 495 I C -0.368 175.695 176.117 -0.091 0.000 1.010 495 I CA -1.011 60.257 61.300 -0.054 0.000 1.098 495 I CB 2.084 40.033 38.000 -0.086 0.000 1.266 495 I HN -0.040 nan 8.210 nan 0.000 0.434 496 V N 4.646 124.467 119.914 -0.155 0.000 2.398 496 V HA 0.457 4.578 4.120 0.001 0.000 0.286 496 V C 0.116 176.196 176.094 -0.023 0.000 1.026 496 V CA -0.307 61.920 62.300 -0.121 0.000 0.868 496 V CB 1.633 33.328 31.823 -0.213 0.000 0.982 496 V HN 0.806 nan 8.190 nan 0.000 0.443 497 T N 1.627 116.176 114.554 -0.008 0.000 2.907 497 T HA 0.424 4.774 4.350 0.001 0.000 0.292 497 T C 0.003 174.666 174.700 -0.063 0.000 1.043 497 T CA -0.533 61.581 62.100 0.024 0.000 1.003 497 T CB 1.596 70.512 68.868 0.079 0.000 1.084 497 T HN 0.880 nan 8.240 nan 0.000 0.483 498 D N 1.366 121.722 120.400 -0.074 0.000 2.427 498 D HA 0.218 4.858 4.640 0.001 0.000 0.224 498 D C 0.107 176.505 176.300 0.162 0.000 1.157 498 D CA -0.290 53.572 54.000 -0.231 0.000 0.828 498 D CB 0.155 40.814 40.800 -0.235 0.000 0.974 498 D HN 0.222 nan 8.370 nan 0.000 0.498 499 S N -0.073 115.838 115.700 0.351 0.000 2.667 499 S HA 0.178 4.648 4.470 0.001 0.000 0.304 499 S C 0.842 175.646 174.600 0.339 0.000 1.135 499 S CA -0.587 57.826 58.200 0.355 0.000 1.125 499 S CB 1.110 64.459 63.200 0.248 0.000 0.996 499 S HN 0.108 nan 8.310 nan 0.000 0.474 500 Q N 2.707 122.655 119.800 0.247 0.000 2.084 500 Q HA -0.155 4.185 4.340 0.001 0.000 0.202 500 Q C 1.325 177.327 176.000 0.003 0.000 0.978 500 Q CA 1.975 57.740 55.803 -0.063 0.000 0.844 500 Q CB -0.322 28.311 28.738 -0.176 0.000 0.898 500 Q HN 0.974 nan 8.270 nan 0.000 0.426 501 Y N 0.918 121.223 120.300 0.008 0.000 2.040 501 Y HA -0.346 4.205 4.550 0.001 0.000 0.275 501 Y C 2.142 178.061 175.900 0.032 0.000 1.171 501 Y CA 1.937 60.052 58.100 0.024 0.000 1.123 501 Y CB -0.534 37.955 38.460 0.049 0.000 0.963 501 Y HN 0.071 nan 8.280 nan 0.000 0.493 502 A N 0.034 122.825 122.820 -0.049 0.000 1.968 502 A HA -0.091 4.229 4.320 0.001 0.000 0.217 502 A C 2.216 179.730 177.584 -0.116 0.000 1.169 502 A CA 1.340 53.280 52.037 -0.161 0.000 0.638 502 A CB -1.143 17.922 19.000 0.108 0.000 0.812 502 A HN 0.638 nan 8.150 nan 0.000 0.446 503 L N -0.197 121.005 121.223 -0.035 0.000 2.141 503 L HA 0.029 4.369 4.340 0.001 0.000 0.209 503 L C 2.205 179.017 176.870 -0.097 0.000 1.094 503 L CA 2.073 56.889 54.840 -0.040 0.000 0.763 503 L CB -0.516 41.535 42.059 -0.013 0.000 0.908 503 L HN 0.261 nan 8.230 nan 0.000 0.437 504 G N -0.457 108.254 108.800 -0.149 0.000 2.430 504 G HA2 -0.128 3.833 3.960 0.001 0.000 0.216 504 G HA3 -0.128 3.833 3.960 0.001 0.000 0.216 504 G C 1.534 176.449 174.900 0.025 0.000 1.146 504 G CA 0.847 45.863 45.100 -0.140 0.000 0.793 504 G HN 0.431 nan 8.290 nan 0.000 0.537 505 I N 0.586 121.104 120.570 -0.088 0.000 2.133 505 I HA -0.100 4.070 4.170 0.001 0.000 0.238 505 I C 2.600 178.739 176.117 0.037 0.000 1.074 505 I CA 0.979 62.244 61.300 -0.059 0.000 1.342 505 I CB -0.149 37.662 38.000 -0.316 0.000 1.053 505 I HN 0.093 nan 8.210 nan 0.000 0.404 506 I N 0.066 120.636 120.570 0.001 0.000 2.361 506 I HA -0.287 3.883 4.170 0.001 0.000 0.251 506 I C 2.496 178.719 176.117 0.178 0.000 1.133 506 I CA 1.180 62.528 61.300 0.079 0.000 1.413 506 I CB -0.441 37.581 38.000 0.038 0.000 1.073 506 I HN 0.351 nan 8.210 nan 0.000 0.424 507 Q N 0.600 120.509 119.800 0.182 0.000 2.167 507 Q HA -0.140 4.200 4.340 0.001 0.000 0.202 507 Q C 2.329 178.571 176.000 0.403 0.000 0.970 507 Q CA 1.519 57.486 55.803 0.274 0.000 0.855 507 Q CB -0.136 28.750 28.738 0.246 0.000 0.911 507 Q HN 0.577 nan 8.270 nan 0.000 0.438 508 A N 0.397 123.486 122.820 0.448 0.000 2.209 508 A HA -0.114 4.206 4.320 0.001 0.000 0.212 508 A C 0.406 178.126 177.584 0.228 0.000 1.158 508 A CA 0.353 52.584 52.037 0.323 0.000 0.742 508 A CB -0.055 19.171 19.000 0.376 0.000 0.790 508 A HN 0.451 nan 8.150 nan 0.000 0.472 509 Q N -1.689 118.228 119.800 0.195 0.000 2.470 509 Q HA -0.114 4.227 4.340 0.001 0.000 0.290 509 Q C -2.361 173.665 176.000 0.042 0.000 1.353 509 Q CA 0.390 56.226 55.803 0.054 0.000 0.787 509 Q CB -1.923 26.814 28.738 -0.002 0.000 1.158 509 Q HN 0.604 nan 8.270 nan 0.000 0.426 510 P HA -0.029 nan 4.420 nan 0.000 0.269 510 P C -0.017 177.368 177.300 0.142 0.000 1.209 510 P CA 0.622 63.788 63.100 0.110 0.000 0.776 510 P CB 0.666 32.441 31.700 0.124 0.000 0.876 511 D N -0.179 120.250 120.400 0.047 0.000 2.469 511 D HA 0.065 4.706 4.640 0.001 0.000 0.213 511 D C 0.031 176.276 176.300 -0.093 0.000 1.135 511 D CA 0.241 54.224 54.000 -0.030 0.000 0.834 511 D CB 0.240 40.937 40.800 -0.172 0.000 1.009 511 D HN 0.369 nan 8.370 nan 0.000 0.507 512 Q N -0.374 119.411 119.800 -0.025 0.000 2.421 512 Q HA 0.695 5.035 4.340 0.001 0.000 0.280 512 Q C -1.337 174.695 176.000 0.054 0.000 1.085 512 Q CA -1.002 54.789 55.803 -0.020 0.000 0.807 512 Q CB 2.712 31.436 28.738 -0.025 0.000 1.405 512 Q HN 0.005 nan 8.270 nan 0.000 0.419 513 S N -0.190 115.543 115.700 0.055 0.000 2.537 513 S HA 0.191 4.662 4.470 0.001 0.000 0.271 513 S C -0.380 174.262 174.600 0.070 0.000 1.148 513 S CA -0.457 57.831 58.200 0.146 0.000 0.868 513 S CB 1.513 64.850 63.200 0.227 0.000 1.115 513 S HN 0.719 nan 8.310 nan 0.000 0.461 514 E N 1.258 121.489 120.200 0.052 0.000 2.204 514 E HA -0.010 4.340 4.350 0.001 0.000 0.194 514 E C 0.395 177.026 176.600 0.052 0.000 0.989 514 E CA 0.631 57.044 56.400 0.022 0.000 0.824 514 E CB 0.118 29.809 29.700 -0.014 0.000 0.756 514 E HN 0.437 nan 8.360 nan 0.000 0.477 515 S N 0.675 116.448 115.700 0.122 0.000 2.455 515 S HA -0.028 4.442 4.470 0.001 0.000 0.278 515 S C 0.924 175.539 174.600 0.026 0.000 1.216 515 S CA -0.305 57.957 58.200 0.103 0.000 1.055 515 S CB 0.892 64.205 63.200 0.188 0.000 0.939 515 S HN 0.251 nan 8.310 nan 0.000 0.494 516 E N 3.690 123.889 120.200 -0.003 0.000 2.118 516 E HA -0.176 4.175 4.350 0.001 0.000 0.195 516 E C 1.681 178.224 176.600 -0.096 0.000 0.992 516 E CA 1.151 57.526 56.400 -0.042 0.000 0.804 516 E CB -0.085 29.596 29.700 -0.032 0.000 0.741 516 E HN 0.752 nan 8.360 nan 0.000 0.458 517 L N 0.385 121.555 121.223 -0.089 0.000 1.994 517 L HA -0.140 4.200 4.340 0.001 0.000 0.208 517 L C 2.277 179.015 176.870 -0.221 0.000 1.071 517 L CA 1.453 56.190 54.840 -0.172 0.000 0.745 517 L CB -0.581 41.429 42.059 -0.081 0.000 0.892 517 L HN 0.040 nan 8.230 nan 0.000 0.431 518 V N 0.441 120.279 119.914 -0.127 0.000 2.594 518 V HA -0.245 3.876 4.120 0.001 0.000 0.253 518 V C 2.412 178.420 176.094 -0.143 0.000 1.069 518 V CA 1.552 63.760 62.300 -0.153 0.000 1.082 518 V CB -1.032 30.674 31.823 -0.193 0.000 0.680 518 V HN 0.506 nan 8.190 nan 0.000 0.469 519 N N 0.446 119.076 118.700 -0.117 0.000 2.058 519 N HA -0.185 4.556 4.740 0.001 0.000 0.191 519 N C 1.952 177.364 175.510 -0.164 0.000 1.037 519 N CA 1.602 54.583 53.050 -0.115 0.000 0.848 519 N CB -0.400 38.034 38.487 -0.089 0.000 1.021 519 N HN 0.591 nan 8.380 nan 0.000 0.422 520 Q N 0.349 120.001 119.800 -0.247 0.000 2.152 520 Q HA -0.107 4.233 4.340 0.001 0.000 0.206 520 Q C 2.181 178.003 176.000 -0.297 0.000 0.985 520 Q CA 0.997 56.604 55.803 -0.326 0.000 0.863 520 Q CB -0.183 28.166 28.738 -0.648 0.000 0.904 520 Q HN 0.444 nan 8.270 nan 0.000 0.422 521 I N 0.644 121.006 120.570 -0.345 0.000 2.179 521 I HA -0.287 3.884 4.170 0.001 0.000 0.242 521 I C 2.286 178.324 176.117 -0.131 0.000 1.088 521 I CA 1.123 62.336 61.300 -0.146 0.000 1.357 521 I CB -0.273 37.648 38.000 -0.131 0.000 1.051 521 I HN 0.220 nan 8.210 nan 0.000 0.409 522 I N 0.477 120.958 120.570 -0.148 0.000 2.264 522 I HA -0.333 3.838 4.170 0.001 0.000 0.248 522 I C 2.576 178.599 176.117 -0.156 0.000 1.111 522 I CA 1.531 62.735 61.300 -0.161 0.000 1.382 522 I CB -0.508 37.444 38.000 -0.079 0.000 1.060 522 I HN 0.361 nan 8.210 nan 0.000 0.418 523 E N 0.579 120.719 120.200 -0.101 0.000 2.058 523 E HA -0.263 4.088 4.350 0.001 0.000 0.194 523 E C 2.259 178.834 176.600 -0.043 0.000 0.997 523 E CA 1.204 57.570 56.400 -0.057 0.000 0.801 523 E CB 0.122 29.804 29.700 -0.031 0.000 0.746 523 E HN 0.409 nan 8.360 nan 0.000 0.450 524 Q N 0.276 120.060 119.800 -0.027 0.000 2.084 524 Q HA -0.134 4.206 4.340 0.001 0.000 0.202 524 Q C 2.447 178.386 176.000 -0.102 0.000 0.978 524 Q CA 0.941 56.731 55.803 -0.023 0.000 0.844 524 Q CB -0.307 28.456 28.738 0.041 0.000 0.898 524 Q HN 0.418 nan 8.270 nan 0.000 0.426 525 L N 0.011 121.103 121.223 -0.218 0.000 2.191 525 L HA -0.161 4.179 4.340 0.001 0.000 0.212 525 L C 2.280 178.966 176.870 -0.307 0.000 1.103 525 L CA 0.788 55.392 54.840 -0.393 0.000 0.769 525 L CB -0.356 41.171 42.059 -0.885 0.000 0.908 525 L HN 0.192 nan 8.230 nan 0.000 0.438 526 I N -0.676 119.791 120.570 -0.171 0.000 2.333 526 I HA -0.215 3.955 4.170 0.001 0.000 0.246 526 I C 2.463 178.619 176.117 0.065 0.000 1.106 526 I CA 0.913 62.247 61.300 0.056 0.000 1.411 526 I CB -0.226 37.875 38.000 0.168 0.000 1.082 526 I HN 0.161 nan 8.210 nan 0.000 0.420 527 K N 0.885 121.300 120.400 0.024 0.000 2.152 527 K HA -0.102 4.219 4.320 0.001 0.000 0.206 527 K C 0.710 177.319 176.600 0.016 0.000 1.048 527 K CA 0.831 57.133 56.287 0.026 0.000 0.933 527 K CB -0.075 32.431 32.500 0.011 0.000 0.721 527 K HN 0.176 nan 8.250 nan 0.000 0.447 528 K N 1.063 121.461 120.400 -0.003 0.000 2.168 528 K HA 0.048 4.369 4.320 0.001 0.000 0.258 528 K C 1.154 177.771 176.600 0.028 0.000 1.010 528 K CA 0.256 56.542 56.287 -0.002 0.000 0.929 528 K CB 0.798 33.281 32.500 -0.029 0.000 0.998 528 K HN 0.067 nan 8.250 nan 0.000 0.479 529 E N 1.140 121.357 120.200 0.028 0.000 2.162 529 E HA 0.014 4.364 4.350 0.001 0.000 0.193 529 E C -0.265 176.366 176.600 0.052 0.000 0.953 529 E CA 0.778 57.203 56.400 0.040 0.000 0.849 529 E CB 0.481 30.199 29.700 0.030 0.000 0.810 529 E HN 0.332 nan 8.360 nan 0.000 0.470 530 K N 0.974 121.402 120.400 0.047 0.000 2.565 530 K HA 0.415 4.735 4.320 0.001 0.000 0.249 530 K C -1.317 175.322 176.600 0.064 0.000 0.958 530 K CA -0.312 56.013 56.287 0.064 0.000 0.806 530 K CB 3.009 35.542 32.500 0.055 0.000 1.194 530 K HN -0.191 nan 8.250 nan 0.000 0.434 531 V N 3.088 123.057 119.914 0.091 0.000 2.628 531 V HA 0.438 4.559 4.120 0.001 0.000 0.306 531 V C -1.360 174.831 176.094 0.161 0.000 1.045 531 V CA -0.878 61.473 62.300 0.085 0.000 0.905 531 V CB 1.622 33.468 31.823 0.039 0.000 0.997 531 V HN 0.695 nan 8.190 nan 0.000 0.436 532 Y N 4.804 125.110 120.300 0.010 0.000 2.373 532 Y HA 0.745 5.295 4.550 0.001 0.000 0.336 532 Y C -1.464 174.442 175.900 0.010 0.000 0.979 532 Y CA -1.029 57.082 58.100 0.019 0.000 1.080 532 Y CB 1.750 40.217 38.460 0.012 0.000 1.190 532 Y HN 0.547 nan 8.280 nan 0.000 0.446 533 L N 6.168 127.012 121.223 -0.633 0.000 2.343 533 L HA 0.906 5.246 4.340 0.001 0.000 0.278 533 L C -1.003 175.508 176.870 -0.598 0.000 0.996 533 L CA -0.496 54.073 54.840 -0.452 0.000 0.831 533 L CB 1.062 43.008 42.059 -0.188 0.000 1.232 533 L HN 0.776 nan 8.230 nan 0.000 0.413 534 A N 3.981 126.565 122.820 -0.394 0.000 2.356 534 A HA 0.722 5.042 4.320 0.001 0.000 0.323 534 A C -1.791 175.815 177.584 0.037 0.000 1.119 534 A CA -0.571 51.366 52.037 -0.168 0.000 0.790 534 A CB 0.874 19.871 19.000 -0.005 0.000 1.273 534 A HN 0.766 nan 8.150 nan 0.000 0.452 535 W N 1.693 122.949 121.300 -0.074 0.000 2.578 535 W HA 0.604 5.264 4.660 0.001 0.000 0.346 535 W C -0.868 175.650 176.519 -0.002 0.000 1.075 535 W CA -0.309 57.012 57.345 -0.041 0.000 1.233 535 W CB 1.772 31.197 29.460 -0.057 0.000 1.358 535 W HN 0.892 nan 8.180 nan 0.000 0.574 536 V N 2.787 121.998 119.914 -1.171 0.000 2.888 536 V HA 0.639 4.760 4.120 0.001 0.000 0.309 536 V C -2.599 172.401 176.094 -1.823 0.000 1.114 536 V CA -2.810 58.772 62.300 -1.197 0.000 0.940 536 V CB 1.569 33.103 31.823 -0.481 0.000 1.021 536 V HN 0.553 nan 8.190 nan 0.000 0.426 537 P HA 0.258 nan 4.420 nan 0.000 0.265 537 P C 0.043 177.095 177.300 -0.413 0.000 1.193 537 P CA 0.659 63.355 63.100 -0.673 0.000 0.765 537 P CB 0.926 32.508 31.700 -0.197 0.000 0.823 538 A N 3.638 126.287 122.820 -0.286 0.000 2.259 538 A HA 0.266 4.586 4.320 0.001 0.000 0.278 538 A C 0.541 177.959 177.584 -0.277 0.000 1.107 538 A CA -0.416 51.393 52.037 -0.380 0.000 0.828 538 A CB -0.628 18.037 19.000 -0.559 0.000 1.111 538 A HN 0.770 nan 8.150 nan 0.000 0.498 539 H N -0.739 118.311 119.070 -0.034 0.000 2.484 539 H HA -0.111 4.446 4.556 0.001 0.000 0.321 539 H C -0.185 175.127 175.328 -0.027 0.000 1.065 539 H CA 1.219 57.254 56.048 -0.022 0.000 1.118 539 H CB -1.016 28.743 29.762 -0.005 0.000 1.511 539 H HN 0.558 nan 8.280 nan 0.000 0.403 540 K N -0.401 120.002 120.400 0.005 0.000 2.536 540 K HA 0.204 4.524 4.320 0.001 0.000 0.203 540 K C 1.459 178.043 176.600 -0.026 0.000 1.063 540 K CA 0.376 56.659 56.287 -0.006 0.000 1.063 540 K CB 0.899 33.379 32.500 -0.033 0.000 0.843 540 K HN 0.555 nan 8.250 nan 0.000 0.521 541 G N 2.002 110.785 108.800 -0.028 0.000 2.166 541 G HA2 -0.227 3.733 3.960 0.001 0.000 0.260 541 G HA3 -0.227 3.733 3.960 0.001 0.000 0.260 541 G C 0.337 175.198 174.900 -0.065 0.000 0.986 541 G CA -0.013 45.063 45.100 -0.039 0.000 0.683 541 G HN 0.269 nan 8.290 nan 0.000 0.527 542 I N 2.538 123.057 120.570 -0.084 0.000 2.397 542 I HA 0.206 4.376 4.170 0.001 0.000 0.291 542 I C 1.738 177.771 176.117 -0.138 0.000 1.125 542 I CA 0.032 61.274 61.300 -0.097 0.000 1.961 542 I CB -1.196 36.743 38.000 -0.101 0.000 1.508 542 I HN 0.202 nan 8.210 nan 0.000 0.886 543 G N 2.649 111.354 108.800 -0.158 0.000 2.568 543 G HA2 0.131 4.091 3.960 0.001 0.000 0.231 543 G HA3 0.131 4.091 3.960 0.001 0.000 0.231 543 G C 1.030 175.668 174.900 -0.438 0.000 1.261 543 G CA -0.099 44.847 45.100 -0.257 0.000 0.855 543 G HN 0.685 nan 8.290 nan 0.000 0.576 544 G N -0.040 108.179 108.800 -0.968 0.000 3.279 544 G HA2 -0.077 3.883 3.960 0.001 0.000 0.230 544 G HA3 -0.077 3.883 3.960 0.001 0.000 0.230 544 G C 1.160 175.791 174.900 -0.448 0.000 1.230 544 G CA 0.274 44.918 45.100 -0.759 0.000 0.891 544 G HN 0.718 nan 8.290 nan 0.000 0.518 545 N N 0.456 118.990 118.700 -0.276 0.000 2.188 545 N HA -0.118 4.622 4.740 0.001 0.000 0.184 545 N C 1.836 177.289 175.510 -0.097 0.000 1.018 545 N CA 0.611 53.611 53.050 -0.084 0.000 0.858 545 N CB -0.056 38.382 38.487 -0.081 0.000 0.989 545 N HN 0.232 nan 8.380 nan 0.000 0.426 546 E N 0.727 120.854 120.200 -0.121 0.000 2.108 546 E HA -0.252 4.099 4.350 0.001 0.000 0.203 546 E C 1.772 178.332 176.600 -0.067 0.000 1.022 546 E CA 1.671 58.020 56.400 -0.084 0.000 0.823 546 E CB -0.003 29.641 29.700 -0.093 0.000 0.744 546 E HN 0.445 nan 8.360 nan 0.000 0.456 547 Q N -0.316 119.429 119.800 -0.091 0.000 2.062 547 Q HA -0.019 4.322 4.340 0.001 0.000 0.196 547 Q C 2.087 178.070 176.000 -0.028 0.000 0.967 547 Q CA 0.660 56.425 55.803 -0.065 0.000 0.832 547 Q CB -0.343 28.341 28.738 -0.090 0.000 0.899 547 Q HN 0.170 nan 8.270 nan 0.000 0.442 548 V N 0.807 120.717 119.914 -0.008 0.000 2.719 548 V HA -0.146 3.974 4.120 0.001 0.000 0.252 548 V C 1.678 177.783 176.094 0.019 0.000 1.065 548 V CA 1.704 64.022 62.300 0.029 0.000 1.086 548 V CB -0.126 31.755 31.823 0.097 0.000 0.700 548 V HN 0.428 nan 8.190 nan 0.000 0.467 549 D N -0.162 120.242 120.400 0.006 0.000 2.144 549 D HA -0.211 4.429 4.640 0.001 0.000 0.200 549 D C 2.082 178.394 176.300 0.019 0.000 0.978 549 D CA 1.238 55.244 54.000 0.011 0.000 0.833 549 D CB 0.108 40.903 40.800 -0.008 0.000 0.961 549 D HN 0.449 nan 8.370 nan 0.000 0.470 550 K N -0.411 119.993 120.400 0.006 0.000 2.211 550 K HA -0.097 4.223 4.320 0.001 0.000 0.203 550 K C 2.074 178.674 176.600 0.000 0.000 1.050 550 K CA 0.391 56.681 56.287 0.004 0.000 0.945 550 K CB 0.159 32.654 32.500 -0.008 0.000 0.732 550 K HN 0.082 nan 8.250 nan 0.000 0.451 551 L N -0.209 121.012 121.223 -0.003 0.000 2.131 551 L HA -0.100 4.240 4.340 0.001 0.000 0.206 551 L C 1.984 178.850 176.870 -0.007 0.000 1.087 551 L CA 1.140 55.973 54.840 -0.011 0.000 0.767 551 L CB -0.282 41.763 42.059 -0.023 0.000 0.917 551 L HN 0.044 nan 8.230 nan 0.000 0.441 552 V N -5.591 114.326 119.914 0.005 0.000 3.649 552 V HA 0.174 4.295 4.120 0.001 0.000 0.275 552 V C 0.949 177.055 176.094 0.019 0.000 1.281 552 V CA 0.142 62.448 62.300 0.011 0.000 1.143 552 V CB -0.229 31.608 31.823 0.022 0.000 0.892 552 V HN 0.244 nan 8.190 nan 0.000 0.441 553 S N 1.863 117.575 115.700 0.021 0.000 3.681 553 S HA 0.702 5.172 4.470 0.001 0.000 0.203 553 S C 1.034 175.641 174.600 0.012 0.000 1.408 553 S CA 0.363 58.577 58.200 0.023 0.000 0.942 553 S CB 0.680 63.900 63.200 0.032 0.000 1.437 553 S HN 0.792 nan 8.310 nan 0.000 0.482 554 A N 1.348 124.173 122.820 0.008 0.000 2.387 554 A HA 0.598 4.918 4.320 0.001 0.000 0.234 554 A C 1.042 178.630 177.584 0.005 0.000 1.253 554 A CA -0.150 51.889 52.037 0.004 0.000 0.894 554 A CB 0.150 19.150 19.000 0.000 0.000 0.963 554 A HN 0.627 nan 8.150 nan 0.000 0.508 555 G N 0.000 108.806 108.800 0.009 0.000 5.446 555 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 555 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 555 G CA 0.000 45.105 45.100 0.009 0.000 0.502 555 G HN 0.000 nan 8.290 nan 0.000 0.925