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 1jlc_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKXXXX XXKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSIXXXXX XIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FRKQNPDIVI CQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLX 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 GIGGNEQ 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 0.000 177.367 177.300 0.111 0.000 1.155 1 P CA 0.000 63.152 63.100 0.086 0.000 0.800 1 P CB 0.000 31.751 31.700 0.085 0.000 0.726 2 I N 0.185 120.817 120.570 0.103 0.000 2.677 2 I HA 0.455 4.639 4.170 0.023 0.000 0.305 2 I C 0.564 176.757 176.117 0.126 0.000 0.988 2 I CA -0.303 61.066 61.300 0.114 0.000 1.260 2 I CB 1.672 39.729 38.000 0.096 0.000 1.410 2 I HN -0.005 nan 8.210 nan 0.000 0.523 3 S N 5.098 120.883 115.700 0.142 0.000 2.482 3 S HA 0.450 4.934 4.470 0.023 0.000 0.303 3 S C -2.058 172.656 174.600 0.191 0.000 1.091 3 S CA -0.897 57.417 58.200 0.191 0.000 1.057 3 S CB 1.909 65.218 63.200 0.182 0.000 1.031 3 S HN 0.496 nan 8.310 nan 0.000 0.485 4 P HA 0.296 nan 4.420 nan 0.000 0.243 4 P C -0.396 177.088 177.300 0.306 0.000 1.672 4 P CA -0.014 63.226 63.100 0.234 0.000 1.000 4 P CB -0.135 31.669 31.700 0.172 0.000 1.562 5 I N -0.323 120.378 120.570 0.217 0.000 2.385 5 I HA 0.234 4.418 4.170 0.023 0.000 0.294 5 I C 0.328 176.470 176.117 0.042 0.000 0.988 5 I CA -1.025 60.319 61.300 0.072 0.000 1.265 5 I CB 1.466 39.385 38.000 -0.136 0.000 1.388 5 I HN -0.142 nan 8.210 nan 0.000 0.480 6 E N 5.518 125.735 120.200 0.028 0.000 2.415 6 E HA 0.020 4.384 4.350 0.023 0.000 0.260 6 E C -0.210 176.393 176.600 0.004 0.000 1.016 6 E CA -0.253 56.161 56.400 0.024 0.000 0.924 6 E CB 0.556 30.269 29.700 0.022 0.000 0.961 6 E HN 0.681 nan 8.360 nan 0.000 0.459 7 T N 0.465 115.028 114.554 0.016 0.000 2.903 7 T HA 0.148 4.512 4.350 0.023 0.000 0.314 7 T C 0.511 175.217 174.700 0.009 0.000 1.078 7 T CA -0.657 61.450 62.100 0.012 0.000 1.114 7 T CB 0.882 69.764 68.868 0.023 0.000 0.987 7 T HN 0.275 nan 8.240 nan 0.000 0.548 8 V N -0.503 119.418 119.914 0.012 0.000 2.567 8 V HA 0.567 4.701 4.120 0.023 0.000 0.289 8 V C -2.362 173.748 176.094 0.026 0.000 1.049 8 V CA -2.605 59.707 62.300 0.020 0.000 0.969 8 V CB 0.624 32.469 31.823 0.037 0.000 0.995 8 V HN 0.866 nan 8.190 nan 0.000 0.471 9 P HA 0.250 nan 4.420 nan 0.000 0.274 9 P C -0.509 176.770 177.300 -0.035 0.000 1.291 9 P CA 0.069 63.168 63.100 -0.003 0.000 0.815 9 P CB 0.975 32.669 31.700 -0.009 0.000 0.897 10 V N 5.483 125.357 119.914 -0.067 0.000 2.472 10 V HA 0.368 4.502 4.120 0.023 0.000 0.290 10 V C 0.577 176.546 176.094 -0.210 0.000 1.037 10 V CA -0.325 61.860 62.300 -0.192 0.000 0.908 10 V CB 1.698 33.306 31.823 -0.360 0.000 0.985 10 V HN 0.423 nan 8.190 nan 0.000 0.454 11 K N 3.558 123.837 120.400 -0.201 0.000 2.395 11 K HA 0.585 4.919 4.320 0.023 0.000 0.247 11 K C -1.240 175.330 176.600 -0.051 0.000 0.973 11 K CA -0.903 55.333 56.287 -0.085 0.000 0.828 11 K CB 2.515 34.962 32.500 -0.088 0.000 1.272 11 K HN 0.286 nan 8.250 nan 0.000 0.439 12 L N 2.065 123.277 121.223 -0.018 0.000 2.371 12 L HA 0.235 4.589 4.340 0.023 0.000 0.272 12 L C 0.668 177.514 176.870 -0.040 0.000 1.124 12 L CA -0.079 54.752 54.840 -0.015 0.000 0.816 12 L CB 0.245 42.212 42.059 -0.153 0.000 1.129 12 L HN 0.451 nan 8.230 nan 0.000 0.448 13 K N 4.132 124.517 120.400 -0.025 0.000 2.543 13 K HA -0.038 4.296 4.320 0.023 0.000 0.279 13 K C -2.044 174.540 176.600 -0.027 0.000 1.001 13 K CA -0.851 55.415 56.287 -0.035 0.000 1.088 13 K CB -0.267 32.225 32.500 -0.014 0.000 0.863 13 K HN 0.429 nan 8.250 nan 0.000 0.488 14 P HA -0.115 nan 4.420 nan 0.000 0.266 14 P C 0.133 177.431 177.300 -0.003 0.000 1.193 14 P CA 0.381 63.470 63.100 -0.018 0.000 0.770 14 P CB 0.383 32.071 31.700 -0.021 0.000 0.836 15 G N 1.748 110.553 108.800 0.008 0.000 2.387 15 G HA2 -0.114 3.860 3.960 0.023 0.000 0.270 15 G HA3 -0.114 3.860 3.960 0.023 0.000 0.270 15 G C -0.361 174.553 174.900 0.024 0.000 0.957 15 G CA 0.291 45.402 45.100 0.018 0.000 1.352 15 G HN 0.663 nan 8.290 nan 0.000 0.457 16 M N -0.042 119.578 119.600 0.033 0.000 3.043 16 M HA 0.356 4.850 4.480 0.023 0.000 0.264 16 M C -1.955 174.382 176.300 0.061 0.000 0.969 16 M CA -0.814 54.512 55.300 0.044 0.000 0.785 16 M CB 1.807 34.426 32.600 0.031 0.000 1.634 16 M HN 0.377 nan 8.290 nan 0.000 0.560 17 D N -0.138 120.319 120.400 0.094 0.000 2.596 17 D HA 0.629 5.283 4.640 0.023 0.000 0.234 17 D C -0.361 176.040 176.300 0.169 0.000 1.181 17 D CA 0.241 54.337 54.000 0.161 0.000 0.856 17 D CB 2.144 43.088 40.800 0.240 0.000 1.498 17 D HN 0.778 nan 8.370 nan 0.000 0.446 18 G N 1.768 110.662 108.800 0.157 0.000 2.464 18 G HA2 0.213 4.187 3.960 0.023 0.000 0.231 18 G HA3 0.213 4.187 3.960 0.023 0.000 0.231 18 G C -2.171 172.914 174.900 0.308 0.000 1.267 18 G CA -0.506 44.548 45.100 -0.077 0.000 0.863 18 G HN 0.364 nan 8.290 nan 0.000 0.559 19 P HA 0.049 nan 4.420 nan 0.000 0.271 19 P C 0.197 177.656 177.300 0.266 0.000 1.212 19 P CA 0.527 63.765 63.100 0.231 0.000 0.788 19 P CB 0.345 32.151 31.700 0.176 0.000 0.865 20 K N -0.510 119.980 120.400 0.150 0.000 2.603 20 K HA 0.130 4.464 4.320 0.023 0.000 0.195 20 K C -0.368 176.265 176.600 0.055 0.000 1.213 20 K CA -0.089 56.254 56.287 0.094 0.000 1.084 20 K CB 0.236 32.780 32.500 0.074 0.000 0.981 20 K HN 0.263 nan 8.250 nan 0.000 0.577 21 V N -0.154 119.790 119.914 0.050 0.000 3.178 21 V HA 0.120 4.254 4.120 0.023 0.000 0.306 21 V C 0.374 176.474 176.094 0.011 0.000 1.107 21 V CA -0.420 61.889 62.300 0.015 0.000 1.195 21 V CB 0.744 32.561 31.823 -0.009 0.000 0.993 21 V HN 0.163 nan 8.190 nan 0.000 0.493 22 K N 1.891 122.289 120.400 -0.003 0.000 2.118 22 K HA 0.426 4.760 4.320 0.023 0.000 0.267 22 K C -0.115 176.499 176.600 0.023 0.000 0.991 22 K CA -0.694 55.604 56.287 0.018 0.000 0.916 22 K CB 1.220 33.736 32.500 0.026 0.000 1.041 22 K HN 1.009 nan 8.250 nan 0.000 0.455 23 Q N 3.163 123.011 119.800 0.080 0.000 2.267 23 Q HA 0.243 4.597 4.340 0.023 0.000 0.255 23 Q C -1.267 174.902 176.000 0.282 0.000 0.923 23 Q CA -0.576 55.325 55.803 0.164 0.000 0.925 23 Q CB 0.480 29.304 28.738 0.143 0.000 1.195 23 Q HN 0.424 nan 8.270 nan 0.000 0.417 24 W N 1.769 123.097 121.300 0.047 0.000 2.331 24 W HA 0.613 5.287 4.660 0.023 0.000 0.306 24 W C -2.763 173.777 176.519 0.034 0.000 1.162 24 W CA -3.468 53.901 57.345 0.039 0.000 1.232 24 W CB -0.820 28.666 29.460 0.042 0.000 1.235 24 W HN 0.533 nan 8.180 nan 0.000 0.479 25 P HA -0.046 nan 4.420 nan 0.000 0.267 25 P C -0.350 176.890 177.300 -0.101 0.000 1.175 25 P CA 0.782 63.894 63.100 0.019 0.000 0.763 25 P CB 0.520 32.234 31.700 0.023 0.000 0.795 26 L N 0.476 121.647 121.223 -0.086 0.000 2.327 26 L HA 0.438 4.792 4.340 0.023 0.000 0.258 26 L C 0.590 177.408 176.870 -0.086 0.000 1.024 26 L CA -1.017 53.745 54.840 -0.129 0.000 0.825 26 L CB 1.658 43.652 42.059 -0.108 0.000 1.386 26 L HN 0.203 nan 8.230 nan 0.000 0.417 27 T N -0.493 114.004 114.554 -0.095 0.000 2.788 27 T HA -0.086 4.278 4.350 0.023 0.000 0.333 27 T C 1.065 175.738 174.700 -0.045 0.000 1.090 27 T CA 0.079 62.139 62.100 -0.067 0.000 1.094 27 T CB 0.635 69.463 68.868 -0.067 0.000 0.999 27 T HN 0.769 nan 8.240 nan 0.000 0.549 28 E N 0.144 120.324 120.200 -0.033 0.000 2.285 28 E HA -0.113 4.251 4.350 0.023 0.000 0.194 28 E C 1.728 178.316 176.600 -0.020 0.000 0.997 28 E CA 0.480 56.867 56.400 -0.022 0.000 0.845 28 E CB 0.131 29.821 29.700 -0.017 0.000 0.782 28 E HN 0.514 nan 8.360 nan 0.000 0.491 29 E N 0.852 121.037 120.200 -0.025 0.000 2.208 29 E HA -0.103 4.261 4.350 0.023 0.000 0.193 29 E C 1.603 178.190 176.600 -0.022 0.000 0.988 29 E CA 0.696 57.083 56.400 -0.022 0.000 0.828 29 E CB 0.234 29.919 29.700 -0.024 0.000 0.763 29 E HN 0.249 nan 8.360 nan 0.000 0.478 30 K N -0.039 120.344 120.400 -0.029 0.000 2.262 30 K HA 0.036 4.370 4.320 0.023 0.000 0.200 30 K C 2.022 178.609 176.600 -0.021 0.000 1.049 30 K CA 0.069 56.340 56.287 -0.028 0.000 0.979 30 K CB 0.397 32.872 32.500 -0.042 0.000 0.773 30 K HN 0.067 nan 8.250 nan 0.000 0.474 31 I N 2.102 122.661 120.570 -0.018 0.000 2.110 31 I HA -0.218 3.966 4.170 0.023 0.000 0.236 31 I C 1.812 177.930 176.117 0.001 0.000 1.068 31 I CA 1.567 62.864 61.300 -0.006 0.000 1.333 31 I CB -0.901 37.097 38.000 -0.003 0.000 1.054 31 I HN 0.093 nan 8.210 nan 0.000 0.402 32 K N 0.888 121.287 120.400 -0.001 0.000 2.442 32 K HA -0.059 4.275 4.320 0.023 0.000 0.198 32 K C 1.962 178.562 176.600 0.001 0.000 1.044 32 K CA 1.050 57.338 56.287 0.003 0.000 0.948 32 K CB -0.051 32.449 32.500 0.000 0.000 0.762 32 K HN 0.321 nan 8.250 nan 0.000 0.472 33 A N 1.491 124.307 122.820 -0.006 0.000 1.844 33 A HA -0.004 4.330 4.320 0.023 0.000 0.212 33 A C 2.056 179.631 177.584 -0.016 0.000 1.221 33 A CA 0.544 52.574 52.037 -0.011 0.000 0.607 33 A CB -0.522 18.469 19.000 -0.014 0.000 0.878 33 A HN 0.116 nan 8.150 nan 0.000 0.451 34 L N -0.005 121.204 121.223 -0.024 0.000 2.127 34 L HA -0.166 4.188 4.340 0.023 0.000 0.211 34 L C 2.464 179.320 176.870 -0.023 0.000 1.089 34 L CA 0.735 55.547 54.840 -0.047 0.000 0.757 34 L CB -0.696 41.321 42.059 -0.069 0.000 0.899 34 L HN 0.232 nan 8.230 nan 0.000 0.434 35 V N 0.420 120.342 119.914 0.013 0.000 2.219 35 V HA -0.291 3.844 4.120 0.023 0.000 0.248 35 V C 2.492 178.617 176.094 0.050 0.000 1.053 35 V CA 2.270 64.602 62.300 0.053 0.000 1.009 35 V CB -0.553 31.297 31.823 0.045 0.000 0.636 35 V HN 0.610 nan 8.190 nan 0.000 0.445 36 E N -0.208 120.007 120.200 0.026 0.000 2.512 36 E HA -0.095 4.269 4.350 0.023 0.000 0.195 36 E C 1.637 178.242 176.600 0.008 0.000 1.083 36 E CA 0.715 57.128 56.400 0.021 0.000 0.873 36 E CB 0.108 29.816 29.700 0.013 0.000 0.897 36 E HN 0.716 nan 8.360 nan 0.000 0.514 37 I N -0.944 119.622 120.570 -0.008 0.000 3.445 37 I HA -0.065 4.119 4.170 0.023 0.000 0.288 37 I C 1.713 177.806 176.117 -0.039 0.000 1.198 37 I CA 0.135 61.419 61.300 -0.026 0.000 1.417 37 I CB 0.020 37.995 38.000 -0.042 0.000 1.205 37 I HN 0.078 nan 8.210 nan 0.000 0.448 38 C N 1.528 120.788 119.300 -0.066 0.000 2.429 38 C HA -0.162 4.312 4.460 0.023 0.000 0.277 38 C C 2.881 177.874 174.990 0.006 0.000 1.262 38 C CA 1.788 60.716 59.018 -0.150 0.000 1.733 38 C CB -1.463 26.058 27.740 -0.365 0.000 2.010 38 C HN 0.675 nan 8.230 nan 0.000 0.483 39 T N -0.078 114.525 114.554 0.082 0.000 2.802 39 T HA -0.279 4.085 4.350 0.023 0.000 0.269 39 T C 1.313 176.054 174.700 0.068 0.000 1.062 39 T CA 2.100 64.264 62.100 0.107 0.000 1.133 39 T CB -0.307 68.608 68.868 0.078 0.000 0.852 39 T HN 0.726 nan 8.240 nan 0.000 0.485 40 E N 1.094 121.314 120.200 0.034 0.000 2.011 40 E HA 0.070 4.434 4.350 0.023 0.000 0.191 40 E C 2.324 178.942 176.600 0.031 0.000 0.979 40 E CA 0.672 57.085 56.400 0.022 0.000 0.822 40 E CB -0.500 29.199 29.700 -0.001 0.000 0.782 40 E HN 0.383 nan 8.360 nan 0.000 0.459 41 M N 0.901 120.511 119.600 0.016 0.000 2.201 41 M HA -0.339 4.155 4.480 0.023 0.000 0.251 41 M C 2.151 178.493 176.300 0.070 0.000 1.090 41 M CA 2.415 57.738 55.300 0.039 0.000 1.063 41 M CB -0.612 32.005 32.600 0.028 0.000 1.360 41 M HN 0.350 nan 8.290 nan 0.000 0.401 42 E N 0.351 120.601 120.200 0.083 0.000 2.001 42 E HA -0.273 4.091 4.350 0.023 0.000 0.193 42 E C 1.915 178.564 176.600 0.081 0.000 0.994 42 E CA 1.523 57.991 56.400 0.112 0.000 0.815 42 E CB -0.685 29.122 29.700 0.177 0.000 0.770 42 E HN 0.472 nan 8.360 nan 0.000 0.453 43 K N 0.944 121.384 120.400 0.067 0.000 2.218 43 K HA -0.251 4.083 4.320 0.023 0.000 0.205 43 K C 1.729 178.359 176.600 0.050 0.000 1.046 43 K CA 1.698 58.016 56.287 0.051 0.000 0.933 43 K CB 0.042 32.566 32.500 0.041 0.000 0.728 43 K HN 0.142 nan 8.250 nan 0.000 0.454 44 E N -1.339 118.894 120.200 0.056 0.000 1.983 44 E HA -0.025 4.340 4.350 0.023 0.000 0.202 44 E C 1.454 178.097 176.600 0.071 0.000 0.944 44 E CA 1.828 58.263 56.400 0.058 0.000 0.903 44 E CB -0.087 29.648 29.700 0.058 0.000 0.843 44 E HN 0.376 nan 8.360 nan 0.000 0.542 45 G N -1.641 107.216 108.800 0.094 0.000 2.800 45 G HA2 0.060 4.034 3.960 0.023 0.000 0.180 45 G HA3 0.060 4.034 3.960 0.023 0.000 0.180 45 G C 0.995 175.982 174.900 0.144 0.000 1.297 45 G CA -0.028 45.138 45.100 0.109 0.000 0.884 45 G HN 0.018 nan 8.290 nan 0.000 0.869 46 K N -0.107 120.399 120.400 0.177 0.000 1.979 46 K HA 0.202 4.536 4.320 0.023 0.000 0.213 46 K C 0.429 177.130 176.600 0.169 0.000 1.036 46 K CA 0.696 57.136 56.287 0.255 0.000 0.954 46 K CB -0.116 32.586 32.500 0.337 0.000 0.743 46 K HN 0.168 nan 8.250 nan 0.000 0.443 47 I N -0.065 120.554 120.570 0.082 0.000 2.797 47 I HA 0.072 4.256 4.170 0.023 0.000 0.310 47 I C 0.603 176.750 176.117 0.050 0.000 0.990 47 I CA 0.260 61.548 61.300 -0.019 0.000 1.228 47 I CB 1.827 39.793 38.000 -0.057 0.000 1.406 47 I HN 0.111 nan 8.210 nan 0.000 0.534 48 S N 1.001 116.714 115.700 0.020 0.000 4.400 48 S HA 0.640 5.124 4.470 0.023 0.000 0.209 48 S C -0.462 174.156 174.600 0.028 0.000 1.056 48 S CA -0.569 57.641 58.200 0.016 0.000 1.814 48 S CB 0.903 64.086 63.200 -0.028 0.000 0.808 48 S HN 0.581 nan 8.310 nan 0.000 0.749 49 K N 0.479 120.832 120.400 -0.078 0.000 2.841 49 K HA 0.306 4.640 4.320 0.023 0.000 0.298 49 K C -2.062 174.438 176.600 -0.167 0.000 1.137 49 K CA -0.297 55.856 56.287 -0.222 0.000 0.937 49 K CB 0.296 32.620 32.500 -0.294 0.000 1.377 49 K HN 0.679 nan 8.250 nan 0.000 0.390 50 I N -0.917 119.547 120.570 -0.178 0.000 3.352 50 I HA 0.857 5.041 4.170 0.023 0.000 0.316 50 I C -0.228 175.819 176.117 -0.116 0.000 1.214 50 I CA -0.952 60.274 61.300 -0.123 0.000 0.934 50 I CB 1.851 39.791 38.000 -0.100 0.000 1.310 50 I HN 0.645 nan 8.210 nan 0.000 0.475 51 G N -0.126 108.620 108.800 -0.090 0.000 3.212 51 G HA2 0.549 4.524 3.960 0.023 0.000 0.188 51 G HA3 0.549 4.524 3.960 0.023 0.000 0.188 51 G C -2.342 172.513 174.900 -0.075 0.000 1.254 51 G CA -1.145 43.908 45.100 -0.078 0.000 0.957 51 G HN 0.463 nan 8.290 nan 0.000 0.596 52 P HA -0.112 nan 4.420 nan 0.000 0.220 52 P C 0.150 177.395 177.300 -0.093 0.000 1.144 52 P CA 1.033 64.090 63.100 -0.072 0.000 0.808 52 P CB 0.068 31.732 31.700 -0.059 0.000 0.763 53 E N -0.389 119.755 120.200 -0.093 0.000 2.313 53 E HA 0.235 4.599 4.350 0.023 0.000 0.272 53 E C 0.042 176.555 176.600 -0.144 0.000 1.038 53 E CA -0.724 55.611 56.400 -0.109 0.000 0.863 53 E CB -0.072 29.578 29.700 -0.083 0.000 1.060 53 E HN -0.045 nan 8.360 nan 0.000 0.402 54 N N 0.937 119.514 118.700 -0.204 0.000 2.648 54 N HA -0.118 4.636 4.740 0.023 0.000 0.265 54 N C -2.469 172.793 175.510 -0.413 0.000 1.100 54 N CA 0.301 53.173 53.050 -0.297 0.000 0.715 54 N CB -0.894 37.546 38.487 -0.079 0.000 0.881 54 N HN 0.401 nan 8.380 nan 0.000 0.548 55 P HA -0.003 nan 4.420 nan 0.000 0.231 55 P C -0.934 176.092 177.300 -0.457 0.000 1.756 55 P CA 0.320 63.182 63.100 -0.398 0.000 0.990 55 P CB -0.565 30.950 31.700 -0.308 0.000 1.973 56 Y N 0.054 120.330 120.300 -0.041 0.000 2.806 56 Y HA 0.242 4.806 4.550 0.024 0.000 0.364 56 Y C 1.220 177.128 175.900 0.013 0.000 1.101 56 Y CA -1.233 56.859 58.100 -0.012 0.000 1.256 56 Y CB -0.389 38.051 38.460 -0.032 0.000 1.363 56 Y HN 0.222 nan 8.280 nan 0.000 0.592 57 N N 1.159 119.929 118.700 0.118 0.000 2.407 57 N HA 0.084 4.838 4.740 0.023 0.000 0.250 57 N C -0.731 174.840 175.510 0.101 0.000 1.236 57 N CA 0.597 53.708 53.050 0.101 0.000 0.879 57 N CB 0.585 39.109 38.487 0.063 0.000 1.088 57 N HN 0.305 nan 8.380 nan 0.000 0.450 58 T N 4.098 118.704 114.554 0.086 0.000 2.991 58 T HA 0.309 4.673 4.350 0.023 0.000 0.303 58 T C -2.717 171.955 174.700 -0.046 0.000 1.015 58 T CA -0.938 61.163 62.100 0.000 0.000 1.007 58 T CB 1.953 70.782 68.868 -0.066 0.000 1.034 58 T HN 0.475 nan 8.240 nan 0.000 0.446 59 P HA 0.060 nan 4.420 nan 0.000 0.263 59 P C -0.547 176.650 177.300 -0.171 0.000 1.175 59 P CA -0.038 63.020 63.100 -0.070 0.000 0.761 59 P CB 0.556 32.204 31.700 -0.087 0.000 0.794 60 V N 4.312 124.171 119.914 -0.092 0.000 2.502 60 V HA 0.153 4.287 4.120 0.023 0.000 0.261 60 V C 0.391 176.419 176.094 -0.110 0.000 0.996 60 V CA -0.486 61.647 62.300 -0.279 0.000 1.095 60 V CB -0.990 30.586 31.823 -0.412 0.000 1.325 60 V HN 0.450 nan 8.190 nan 0.000 0.574 61 F N 0.488 120.520 119.950 0.137 0.000 2.373 61 F HA 0.882 5.423 4.527 0.023 0.000 0.302 61 F C 0.408 176.211 175.800 0.005 0.000 1.247 61 F CA -0.326 57.734 58.000 0.099 0.000 1.169 61 F CB 0.597 39.735 39.000 0.231 0.000 1.309 61 F HN 0.266 nan 8.300 nan 0.000 0.537 62 A N 1.203 124.242 122.820 0.365 0.000 2.486 62 A HA 0.751 5.085 4.320 0.023 0.000 0.300 62 A C -1.786 175.916 177.584 0.197 0.000 1.048 62 A CA -0.623 51.534 52.037 0.200 0.000 0.696 62 A CB 1.479 20.510 19.000 0.052 0.000 1.278 62 A HN 0.965 nan 8.150 nan 0.000 0.405 63 I N 0.345 121.011 120.570 0.161 0.000 2.722 63 I HA 0.517 4.701 4.170 0.023 0.000 0.295 63 I C -0.684 175.469 176.117 0.059 0.000 1.161 63 I CA -0.594 60.765 61.300 0.098 0.000 1.032 63 I CB 1.986 40.064 38.000 0.130 0.000 1.244 63 I HN 0.664 nan 8.210 nan 0.000 0.421 64 K N 4.681 125.098 120.400 0.028 0.000 2.090 64 K HA 0.374 4.708 4.320 0.023 0.000 0.250 64 K C -0.286 176.324 176.600 0.017 0.000 1.004 64 K CA -0.724 55.573 56.287 0.016 0.000 0.919 64 K CB 0.781 33.283 32.500 0.003 0.000 1.045 64 K HN 0.587 nan 8.250 nan 0.000 0.471 65 K N 1.979 122.384 120.400 0.009 0.000 3.001 65 K HA 0.125 4.459 4.320 0.023 0.000 0.257 65 K C -0.514 176.088 176.600 0.003 0.000 1.290 65 K CA -0.408 55.884 56.287 0.007 0.000 1.252 65 K CB 0.062 32.563 32.500 0.000 0.000 1.656 65 K HN 0.192 nan 8.250 nan 0.000 0.351 74 L N 0.223 121.378 121.223 -0.114 0.000 2.947 74 L HA 0.598 4.952 4.340 0.023 0.000 0.267 74 L C -1.687 175.018 176.870 -0.276 0.000 1.004 74 L CA -0.545 54.230 54.840 -0.109 0.000 0.937 74 L CB 1.835 43.833 42.059 -0.101 0.000 1.496 74 L HN 0.404 nan 8.230 nan 0.000 0.409 75 V N 0.271 120.069 119.914 -0.192 0.000 3.105 75 V HA 0.768 4.902 4.120 0.023 0.000 0.311 75 V C -1.698 174.247 176.094 -0.248 0.000 1.287 75 V CA -0.642 61.480 62.300 -0.298 0.000 1.066 75 V CB 2.174 33.928 31.823 -0.116 0.000 1.105 75 V HN 0.829 nan 8.190 nan 0.000 0.462 76 D N -1.225 118.998 120.400 -0.295 0.000 2.613 76 D HA 0.492 5.146 4.640 0.023 0.000 0.230 76 D C -0.864 175.367 176.300 -0.114 0.000 1.365 76 D CA -0.282 53.676 54.000 -0.070 0.000 0.976 76 D CB 1.170 41.939 40.800 -0.051 0.000 1.415 76 D HN 0.275 nan 8.370 nan 0.000 0.589 77 F N 2.072 122.095 119.950 0.121 0.000 2.678 77 F HA 0.324 4.865 4.527 0.023 0.000 0.305 77 F C 2.150 178.032 175.800 0.137 0.000 1.090 77 F CA -0.418 57.678 58.000 0.159 0.000 1.272 77 F CB 0.061 39.203 39.000 0.237 0.000 1.060 77 F HN 0.247 nan 8.300 nan 0.000 0.576 78 R N 0.582 121.236 120.500 0.257 0.000 2.279 78 R HA -0.281 4.073 4.340 0.023 0.000 0.264 78 R C 1.846 178.238 176.300 0.153 0.000 1.138 78 R CA 2.116 58.316 56.100 0.167 0.000 0.981 78 R CB -0.459 29.905 30.300 0.107 0.000 0.909 78 R HN 0.273 nan 8.270 nan 0.000 0.462 79 E N 0.496 120.785 120.200 0.148 0.000 2.016 79 E HA -0.124 4.240 4.350 0.023 0.000 0.190 79 E C 1.991 178.701 176.600 0.182 0.000 0.985 79 E CA 0.706 57.186 56.400 0.133 0.000 0.802 79 E CB -0.430 29.334 29.700 0.106 0.000 0.762 79 E HN 0.128 nan 8.360 nan 0.000 0.448 80 L N 2.464 123.842 121.223 0.257 0.000 1.976 80 L HA -0.291 4.063 4.340 0.023 0.000 0.223 80 L C 1.625 178.692 176.870 0.328 0.000 1.081 80 L CA 2.070 57.105 54.840 0.324 0.000 0.784 80 L CB -1.143 41.230 42.059 0.524 0.000 0.896 80 L HN 0.053 nan 8.230 nan 0.000 0.438 81 N N 0.229 119.130 118.700 0.335 0.000 2.049 81 N HA -0.281 4.473 4.740 0.023 0.000 0.198 81 N C 1.846 177.436 175.510 0.132 0.000 1.030 81 N CA 2.051 55.217 53.050 0.194 0.000 0.870 81 N CB -0.510 38.048 38.487 0.117 0.000 1.045 81 N HN 0.450 nan 8.380 nan 0.000 0.434 82 K N 0.477 120.949 120.400 0.120 0.000 2.059 82 K HA -0.102 4.232 4.320 0.023 0.000 0.212 82 K C 1.872 178.523 176.600 0.084 0.000 1.050 82 K CA 1.485 57.822 56.287 0.083 0.000 0.927 82 K CB -0.077 32.470 32.500 0.079 0.000 0.714 82 K HN 0.223 nan 8.250 nan 0.000 0.447 83 R N -0.057 120.512 120.500 0.114 0.000 2.299 83 R HA 0.045 4.399 4.340 0.023 0.000 0.197 83 R C 0.346 176.717 176.300 0.119 0.000 0.971 83 R CA 0.301 56.459 56.100 0.097 0.000 1.030 83 R CB 0.270 30.623 30.300 0.089 0.000 0.932 83 R HN 0.042 nan 8.270 nan 0.000 0.477 84 T N 1.745 116.411 114.554 0.186 0.000 2.904 84 T HA 0.063 4.427 4.350 0.023 0.000 0.290 84 T C 0.402 175.145 174.700 0.072 0.000 1.018 84 T CA -0.651 61.592 62.100 0.239 0.000 1.075 84 T CB 1.380 70.475 68.868 0.378 0.000 0.986 84 T HN 0.236 nan 8.240 nan 0.000 0.523 85 Q N 1.648 121.424 119.800 -0.041 0.000 2.870 85 Q HA 0.156 4.510 4.340 0.023 0.000 0.193 85 Q C -0.972 174.886 176.000 -0.236 0.000 1.148 85 Q CA -0.093 55.584 55.803 -0.210 0.000 1.212 85 Q CB 0.190 28.674 28.738 -0.423 0.000 1.290 85 Q HN 0.534 nan 8.270 nan 0.000 0.686 86 D N -0.944 119.270 120.400 -0.311 0.000 2.228 86 D HA 0.482 5.137 4.640 0.023 0.000 0.247 86 D C -1.093 174.978 176.300 -0.381 0.000 0.995 86 D CA -0.360 53.547 54.000 -0.156 0.000 0.903 86 D CB 0.895 41.660 40.800 -0.058 0.000 1.205 86 D HN 0.341 nan 8.370 nan 0.000 0.459 87 F N -0.641 119.269 119.950 -0.066 0.000 2.990 87 F HA 0.476 5.017 4.527 0.023 0.000 0.357 87 F C -0.286 175.603 175.800 0.149 0.000 1.395 87 F CA -1.021 56.973 58.000 -0.010 0.000 1.087 87 F CB 0.361 39.302 39.000 -0.099 0.000 1.655 87 F HN 0.236 nan 8.300 nan 0.000 0.456 88 W N 1.237 122.613 121.300 0.128 0.000 2.509 88 W HA 0.283 4.957 4.660 0.023 0.000 0.351 88 W C -0.223 176.300 176.519 0.006 0.000 1.107 88 W CA -0.705 56.658 57.345 0.031 0.000 1.264 88 W CB 1.063 30.530 29.460 0.011 0.000 1.312 88 W HN 0.294 nan 8.180 nan 0.000 0.608 89 E N 2.546 121.972 120.200 -1.290 0.000 2.481 89 E HA -0.045 4.319 4.350 0.023 0.000 0.240 89 E C -0.270 175.980 176.600 -0.582 0.000 1.193 89 E CA 0.407 56.180 56.400 -1.044 0.000 0.955 89 E CB 0.247 29.103 29.700 -1.407 0.000 1.006 89 E HN 0.135 nan 8.360 nan 0.000 0.483 90 V N 5.503 125.221 119.914 -0.327 0.000 2.326 90 V HA -0.007 4.127 4.120 0.023 0.000 0.249 90 V C 0.390 176.377 176.094 -0.178 0.000 1.114 90 V CA 0.170 62.350 62.300 -0.200 0.000 1.028 90 V CB -0.593 31.131 31.823 -0.165 0.000 1.170 90 V HN 0.764 nan 8.190 nan 0.000 0.494 91 Q N 2.549 122.259 119.800 -0.150 0.000 2.299 91 Q HA -0.107 4.248 4.340 0.023 0.000 0.279 91 Q C 0.668 176.607 176.000 -0.100 0.000 1.271 91 Q CA 0.052 55.797 55.803 -0.097 0.000 0.639 91 Q CB -0.789 27.891 28.738 -0.096 0.000 1.056 91 Q HN 0.771 nan 8.270 nan 0.000 0.367 92 L N -2.045 119.107 121.223 -0.119 0.000 2.740 92 L HA 0.235 4.589 4.340 0.023 0.000 0.242 92 L C 0.634 177.472 176.870 -0.054 0.000 1.175 92 L CA 2.348 57.122 54.840 -0.110 0.000 0.859 92 L CB -1.517 40.481 42.059 -0.102 0.000 0.992 92 L HN 0.551 nan 8.230 nan 0.000 0.454 93 G N -0.341 108.444 108.800 -0.024 0.000 2.318 93 G HA2 0.307 4.281 3.960 0.023 0.000 0.302 93 G HA3 0.307 4.281 3.960 0.023 0.000 0.302 93 G C -1.429 173.501 174.900 0.049 0.000 1.633 93 G CA -0.804 44.298 45.100 0.004 0.000 0.965 93 G HN 0.036 nan 8.290 nan 0.000 0.698 94 I N 1.728 122.337 120.570 0.064 0.000 2.396 94 I HA 0.400 4.584 4.170 0.023 0.000 0.292 94 I C -1.714 174.469 176.117 0.110 0.000 0.999 94 I CA -2.211 59.150 61.300 0.101 0.000 1.310 94 I CB 1.170 39.182 38.000 0.020 0.000 1.404 94 I HN 0.204 nan 8.210 nan 0.000 0.496 95 P HA -0.017 nan 4.420 nan 0.000 0.261 95 P C -0.617 176.828 177.300 0.243 0.000 1.203 95 P CA 0.238 63.434 63.100 0.160 0.000 0.767 95 P CB 0.059 31.854 31.700 0.158 0.000 0.785 96 H N 5.884 124.960 119.070 0.009 0.000 2.502 96 H HA 0.155 4.725 4.556 0.023 0.000 0.327 96 H C -1.604 173.642 175.328 -0.137 0.000 1.099 96 H CA -2.068 53.960 56.048 -0.034 0.000 1.323 96 H CB 1.164 30.829 29.762 -0.161 0.000 1.450 96 H HN 0.222 nan 8.280 nan 0.000 0.502 97 P HA -0.259 nan 4.420 nan 0.000 0.219 97 P C 1.212 178.404 177.300 -0.180 0.000 1.161 97 P CA 2.749 65.552 63.100 -0.495 0.000 0.909 97 P CB -0.138 30.950 31.700 -1.020 0.000 0.793 98 A N -0.827 121.929 122.820 -0.107 0.000 2.093 98 A HA -0.138 4.196 4.320 0.023 0.000 0.222 98 A C 2.301 180.101 177.584 0.359 0.000 1.162 98 A CA 2.030 54.174 52.037 0.179 0.000 0.655 98 A CB -1.674 17.484 19.000 0.262 0.000 0.805 98 A HN 0.362 nan 8.150 nan 0.000 0.461 99 G N -1.249 107.599 108.800 0.080 0.000 2.880 99 G HA2 0.347 4.321 3.960 0.023 0.000 0.209 99 G HA3 0.347 4.321 3.960 0.023 0.000 0.209 99 G C 0.562 175.610 174.900 0.247 0.000 1.157 99 G CA -0.223 44.885 45.100 0.012 0.000 0.779 99 G HN 0.409 nan 8.290 nan 0.000 0.539 100 L N 0.159 121.539 121.223 0.262 0.000 2.456 100 L HA 0.418 4.772 4.340 0.023 0.000 0.257 100 L C 0.116 177.154 176.870 0.279 0.000 1.162 100 L CA -0.487 54.458 54.840 0.176 0.000 0.808 100 L CB 1.073 43.123 42.059 -0.014 0.000 1.136 100 L HN -0.007 nan 8.230 nan 0.000 0.466 101 K N 0.975 121.410 120.400 0.057 0.000 2.208 101 K HA 0.385 4.719 4.320 0.023 0.000 0.247 101 K C -0.972 175.518 176.600 -0.184 0.000 0.953 101 K CA -1.034 55.285 56.287 0.055 0.000 0.837 101 K CB 1.731 34.245 32.500 0.023 0.000 1.131 101 K HN 0.419 nan 8.250 nan 0.000 0.431 102 K N 1.744 122.101 120.400 -0.072 0.000 2.295 102 K HA 0.231 4.565 4.320 0.023 0.000 0.270 102 K C -0.257 176.277 176.600 -0.111 0.000 1.011 102 K CA -0.497 55.694 56.287 -0.160 0.000 0.953 102 K CB 0.487 33.059 32.500 0.120 0.000 0.956 102 K HN 0.181 nan 8.250 nan 0.000 0.477 103 K N 1.965 122.291 120.400 -0.123 0.000 2.352 103 K HA 0.244 4.578 4.320 0.023 0.000 0.240 103 K C 0.458 177.037 176.600 -0.035 0.000 1.017 103 K CA -0.834 55.416 56.287 -0.062 0.000 0.851 103 K CB 1.648 34.111 32.500 -0.062 0.000 1.261 103 K HN 0.521 nan 8.250 nan 0.000 0.451 104 K N 0.303 120.687 120.400 -0.027 0.000 2.137 104 K HA 0.030 4.365 4.320 0.023 0.000 0.202 104 K C 0.270 176.820 176.600 -0.084 0.000 1.052 104 K CA 0.773 57.040 56.287 -0.033 0.000 0.961 104 K CB 0.277 32.767 32.500 -0.016 0.000 0.741 104 K HN 0.660 nan 8.250 nan 0.000 0.452 105 S N -0.130 115.472 115.700 -0.164 0.000 2.546 105 S HA 0.500 4.984 4.470 0.023 0.000 0.272 105 S C -0.751 173.660 174.600 -0.314 0.000 1.140 105 S CA -1.094 56.908 58.200 -0.331 0.000 0.920 105 S CB 2.232 65.055 63.200 -0.628 0.000 1.083 105 S HN -0.149 nan 8.310 nan 0.000 0.476 106 V N 2.182 122.034 119.914 -0.102 0.000 2.604 106 V HA 0.840 4.974 4.120 0.023 0.000 0.305 106 V C -0.406 175.816 176.094 0.214 0.000 1.043 106 V CA -0.413 61.944 62.300 0.096 0.000 0.888 106 V CB 1.912 33.842 31.823 0.178 0.000 0.995 106 V HN 1.147 nan 8.190 nan 0.000 0.429 107 T N 2.106 116.787 114.554 0.213 0.000 2.900 107 T HA 0.676 5.040 4.350 0.023 0.000 0.303 107 T C -0.899 173.808 174.700 0.011 0.000 1.142 107 T CA -0.710 61.505 62.100 0.192 0.000 1.007 107 T CB 2.039 71.048 68.868 0.235 0.000 1.156 107 T HN 0.764 nan 8.240 nan 0.000 0.490 108 V N 2.453 122.321 119.914 -0.077 0.000 2.588 108 V HA 0.764 4.898 4.120 0.023 0.000 0.304 108 V C -1.934 174.063 176.094 -0.162 0.000 1.042 108 V CA -1.077 61.055 62.300 -0.280 0.000 0.877 108 V CB 1.062 32.581 31.823 -0.507 0.000 0.996 108 V HN 0.747 nan 8.190 nan 0.000 0.425 109 L N 5.536 126.649 121.223 -0.184 0.000 2.276 109 L HA 0.537 4.891 4.340 0.023 0.000 0.286 109 L C -0.134 176.682 176.870 -0.090 0.000 1.024 109 L CA -0.171 54.615 54.840 -0.089 0.000 0.826 109 L CB 1.075 43.098 42.059 -0.059 0.000 1.211 109 L HN 0.796 nan 8.230 nan 0.000 0.422 110 D N 2.232 122.604 120.400 -0.048 0.000 2.338 110 D HA 0.187 4.841 4.640 0.023 0.000 0.255 110 D C 0.686 176.980 176.300 -0.012 0.000 1.237 110 D CA -0.328 53.651 54.000 -0.034 0.000 0.883 110 D CB 1.272 42.065 40.800 -0.012 0.000 1.087 110 D HN 0.362 nan 8.370 nan 0.000 0.485 111 V N 2.972 122.884 119.914 -0.004 0.000 3.189 111 V HA 0.430 4.565 4.120 0.023 0.000 0.366 111 V C 1.566 177.648 176.094 -0.020 0.000 1.313 111 V CA 0.136 62.454 62.300 0.030 0.000 1.302 111 V CB -0.433 31.462 31.823 0.122 0.000 1.260 111 V HN 0.614 nan 8.190 nan 0.000 0.484 112 G N 3.194 111.964 108.800 -0.050 0.000 3.982 112 G HA2 -0.432 3.542 3.960 0.023 0.000 0.261 112 G HA3 -0.432 3.542 3.960 0.023 0.000 0.261 112 G C 0.498 175.327 174.900 -0.118 0.000 0.858 112 G CA 1.468 46.515 45.100 -0.089 0.000 0.716 112 G HN 1.045 nan 8.290 nan 0.000 1.446 113 D N 1.011 121.382 120.400 -0.049 0.000 2.745 113 D HA 0.498 5.152 4.640 0.023 0.000 0.229 113 D C 1.134 177.496 176.300 0.103 0.000 1.088 113 D CA 0.843 54.858 54.000 0.025 0.000 1.054 113 D CB 0.176 40.980 40.800 0.006 0.000 1.132 113 D HN 0.463 nan 8.370 nan 0.000 0.464 114 A N 0.352 123.186 122.820 0.025 0.000 2.030 114 A HA -0.048 4.286 4.320 0.023 0.000 0.215 114 A C 1.384 179.124 177.584 0.260 0.000 1.164 114 A CA 0.220 52.351 52.037 0.157 0.000 0.697 114 A CB -0.573 18.527 19.000 0.166 0.000 0.827 114 A HN 0.361 nan 8.150 nan 0.000 0.457 115 Y N -0.338 119.886 120.300 -0.127 0.000 2.030 115 Y HA -0.208 4.356 4.550 0.023 0.000 0.274 115 Y C 2.009 177.900 175.900 -0.014 0.000 1.153 115 Y CA 1.181 59.210 58.100 -0.117 0.000 1.115 115 Y CB -1.373 36.959 38.460 -0.213 0.000 0.969 115 Y HN 0.379 nan 8.280 nan 0.000 0.488 116 F N -0.687 119.371 119.950 0.180 0.000 2.529 116 F HA -0.150 4.391 4.527 0.023 0.000 0.297 116 F C 2.327 178.201 175.800 0.123 0.000 1.114 116 F CA 1.217 59.293 58.000 0.128 0.000 1.467 116 F CB -0.497 38.571 39.000 0.114 0.000 1.096 116 F HN -0.094 nan 8.300 nan 0.000 0.586 117 S N -0.983 114.893 115.700 0.294 0.000 2.528 117 S HA 0.101 4.585 4.470 0.023 0.000 0.219 117 S C 0.628 175.340 174.600 0.186 0.000 0.985 117 S CA -0.018 58.317 58.200 0.226 0.000 0.914 117 S CB 0.105 63.434 63.200 0.215 0.000 0.776 117 S HN -0.096 nan 8.310 nan 0.000 0.526 118 V N 4.722 124.741 119.914 0.174 0.000 2.439 118 V HA 0.316 4.450 4.120 0.023 0.000 0.282 118 V C -2.280 173.852 176.094 0.063 0.000 1.039 118 V CA -2.397 59.971 62.300 0.114 0.000 0.913 118 V CB 0.942 32.834 31.823 0.116 0.000 0.983 118 V HN 0.115 nan 8.190 nan 0.000 0.460 119 P HA 0.131 nan 4.420 nan 0.000 0.271 119 P C -0.645 176.661 177.300 0.010 0.000 1.216 119 P CA -0.229 62.897 63.100 0.042 0.000 0.771 119 P CB 1.400 33.131 31.700 0.053 0.000 0.864 120 L N 3.059 124.278 121.223 -0.006 0.000 2.439 120 L HA 0.385 4.739 4.340 0.023 0.000 0.259 120 L C 0.273 177.147 176.870 0.008 0.000 1.129 120 L CA -0.266 54.549 54.840 -0.042 0.000 0.803 120 L CB 0.189 42.189 42.059 -0.099 0.000 1.161 120 L HN 0.309 nan 8.230 nan 0.000 0.462 121 D N 2.034 122.444 120.400 0.018 0.000 2.346 121 D HA -0.027 4.627 4.640 0.023 0.000 0.260 121 D C 0.919 177.294 176.300 0.124 0.000 1.252 121 D CA -0.061 53.980 54.000 0.069 0.000 0.895 121 D CB 0.933 41.771 40.800 0.064 0.000 1.097 121 D HN 0.654 nan 8.370 nan 0.000 0.489 122 E N 4.099 124.352 120.200 0.089 0.000 2.086 122 E HA -0.287 4.077 4.350 0.023 0.000 0.205 122 E C 0.593 177.259 176.600 0.110 0.000 1.027 122 E CA 1.464 57.913 56.400 0.082 0.000 0.830 122 E CB -0.440 29.296 29.700 0.059 0.000 0.751 122 E HN 0.598 nan 8.360 nan 0.000 0.456 123 D N -0.659 119.826 120.400 0.141 0.000 2.392 123 D HA -0.071 4.583 4.640 0.023 0.000 0.228 123 D C 1.370 177.855 176.300 0.310 0.000 1.003 123 D CA 0.568 54.674 54.000 0.176 0.000 0.917 123 D CB -0.271 40.630 40.800 0.168 0.000 0.890 123 D HN 0.209 nan 8.370 nan 0.000 0.532 124 F N 1.232 121.256 119.950 0.123 0.000 2.514 124 F HA 0.145 4.687 4.527 0.024 0.000 0.281 124 F C 2.112 177.983 175.800 0.118 0.000 1.060 124 F CA -0.067 58.050 58.000 0.196 0.000 1.397 124 F CB 0.206 39.225 39.000 0.031 0.000 1.129 124 F HN -0.321 nan 8.300 nan 0.000 0.620 125 R N 1.042 121.594 120.500 0.088 0.000 2.196 125 R HA -0.305 4.049 4.340 0.023 0.000 0.259 125 R C 1.899 178.124 176.300 -0.125 0.000 1.154 125 R CA 2.342 58.426 56.100 -0.026 0.000 0.976 125 R CB -0.859 29.445 30.300 0.007 0.000 0.888 125 R HN 0.317 nan 8.270 nan 0.000 0.453 126 K N 0.336 120.648 120.400 -0.146 0.000 2.044 126 K HA -0.243 4.091 4.320 0.023 0.000 0.224 126 K C 1.757 178.131 176.600 -0.376 0.000 1.056 126 K CA 2.313 58.441 56.287 -0.266 0.000 0.962 126 K CB -0.689 31.562 32.500 -0.416 0.000 0.730 126 K HN 0.294 nan 8.250 nan 0.000 0.453 127 Y N 1.643 121.637 120.300 -0.509 0.000 2.809 127 Y HA -0.091 4.473 4.550 0.024 0.000 0.329 127 Y C 0.504 176.159 175.900 -0.410 0.000 1.202 127 Y CA 0.422 58.058 58.100 -0.773 0.000 1.334 127 Y CB -1.059 36.734 38.460 -1.111 0.000 1.027 127 Y HN 0.114 nan 8.280 nan 0.000 0.512 128 T N -1.574 112.907 114.554 -0.122 0.000 2.864 128 T HA 0.864 5.228 4.350 0.023 0.000 0.299 128 T C -0.458 174.238 174.700 -0.008 0.000 1.011 128 T CA -0.700 61.437 62.100 0.061 0.000 0.975 128 T CB 1.478 70.452 68.868 0.177 0.000 0.962 128 T HN 0.173 nan 8.240 nan 0.000 0.448 129 A N 3.636 126.489 122.820 0.056 0.000 2.515 129 A HA 0.908 5.242 4.320 0.023 0.000 0.296 129 A C -1.062 176.664 177.584 0.238 0.000 1.094 129 A CA -1.104 50.949 52.037 0.027 0.000 0.718 129 A CB 1.438 20.492 19.000 0.091 0.000 1.307 129 A HN 0.801 nan 8.150 nan 0.000 0.408 130 F N -0.208 119.765 119.950 0.039 0.000 2.629 130 F HA 0.783 5.324 4.527 0.023 0.000 0.386 130 F C 0.272 176.107 175.800 0.059 0.000 1.135 130 F CA -0.778 57.250 58.000 0.048 0.000 1.116 130 F CB 2.546 41.627 39.000 0.136 0.000 1.426 130 F HN 0.482 nan 8.300 nan 0.000 0.501 131 T N 2.464 117.186 114.554 0.279 0.000 4.242 131 T HA 0.216 4.580 4.350 0.023 0.000 0.422 131 T C -1.313 173.450 174.700 0.105 0.000 1.136 131 T CA -0.557 61.636 62.100 0.156 0.000 1.071 131 T CB 0.782 69.716 68.868 0.109 0.000 1.260 131 T HN 0.224 nan 8.240 nan 0.000 0.453 132 I N 4.355 124.993 120.570 0.113 0.000 2.668 132 I HA 0.289 4.473 4.170 0.023 0.000 0.276 132 I C -2.247 173.907 176.117 0.061 0.000 1.139 132 I CA -2.622 58.725 61.300 0.079 0.000 1.133 132 I CB 0.785 38.848 38.000 0.106 0.000 1.327 132 I HN 0.316 nan 8.210 nan 0.000 0.520 133 P HA 0.041 nan 4.420 nan 0.000 0.261 133 P C 0.014 177.329 177.300 0.025 0.000 1.203 133 P CA 0.132 63.255 63.100 0.038 0.000 0.767 133 P CB 0.511 32.236 31.700 0.041 0.000 0.785 134 S N 4.832 120.544 115.700 0.021 0.000 3.900 134 S HA 0.191 4.675 4.470 0.023 0.000 0.248 134 S C 0.820 175.425 174.600 0.008 0.000 1.310 134 S CA -0.214 57.995 58.200 0.015 0.000 0.915 134 S CB -1.362 61.846 63.200 0.013 0.000 1.588 134 S HN 0.384 nan 8.310 nan 0.000 0.472 143 R N 1.618 122.026 120.500 -0.154 0.000 2.494 143 R HA 0.699 5.053 4.340 0.023 0.000 0.305 143 R C -1.715 174.486 176.300 -0.165 0.000 0.959 143 R CA -0.211 55.897 56.100 0.013 0.000 0.864 143 R CB 1.751 32.045 30.300 -0.009 0.000 1.159 143 R HN -0.064 nan 8.270 nan 0.000 0.446 144 Y N 0.802 121.119 120.300 0.028 0.000 2.773 144 Y HA 0.377 4.941 4.550 0.024 0.000 0.323 144 Y C 0.025 175.575 175.900 -0.583 0.000 1.183 144 Y CA -0.740 57.208 58.100 -0.253 0.000 1.144 144 Y CB 1.503 39.808 38.460 -0.258 0.000 1.340 144 Y HN 0.630 nan 8.280 nan 0.000 0.531 145 Q N -1.260 118.246 119.800 -0.490 0.000 2.893 145 Q HA 0.613 4.967 4.340 0.023 0.000 0.331 145 Q C -2.185 173.468 176.000 -0.578 0.000 0.893 145 Q CA -1.001 54.502 55.803 -0.499 0.000 0.783 145 Q CB 2.068 30.679 28.738 -0.212 0.000 1.440 145 Q HN 0.548 nan 8.270 nan 0.000 0.508 146 Y N -0.434 119.738 120.300 -0.212 0.000 2.598 146 Y HA 0.533 5.097 4.550 0.024 0.000 0.340 146 Y C 0.047 175.896 175.900 -0.085 0.000 1.038 146 Y CA -0.798 57.226 58.100 -0.128 0.000 1.100 146 Y CB 2.169 40.559 38.460 -0.116 0.000 1.281 146 Y HN 0.771 nan 8.280 nan 0.000 0.488 147 N N -0.017 118.804 118.700 0.201 0.000 2.081 147 N HA 0.158 4.913 4.740 0.023 0.000 0.230 147 N C -1.384 174.174 175.510 0.079 0.000 1.351 147 N CA 0.381 53.490 53.050 0.098 0.000 0.840 147 N CB 2.071 40.608 38.487 0.083 0.000 1.189 147 N HN 0.260 nan 8.380 nan 0.000 0.503 148 V N 1.088 121.047 119.914 0.075 0.000 3.188 148 V HA 0.394 4.528 4.120 0.023 0.000 0.305 148 V C -1.152 174.812 176.094 -0.217 0.000 1.232 148 V CA -0.829 61.467 62.300 -0.007 0.000 1.043 148 V CB 2.575 34.459 31.823 0.101 0.000 1.068 148 V HN -0.114 nan 8.190 nan 0.000 0.439 149 L N 6.608 127.688 121.223 -0.238 0.000 2.615 149 L HA 0.256 4.610 4.340 0.023 0.000 0.271 149 L C -2.127 174.343 176.870 -0.667 0.000 1.183 149 L CA -0.254 54.370 54.840 -0.361 0.000 0.933 149 L CB -0.272 41.630 42.059 -0.261 0.000 1.199 149 L HN 0.463 nan 8.230 nan 0.000 0.487 150 P HA 0.092 nan 4.420 nan 0.000 0.292 150 P C -0.829 176.125 177.300 -0.577 0.000 1.283 150 P CA -0.897 61.553 63.100 -1.084 0.000 0.835 150 P CB 1.178 31.998 31.700 -1.466 0.000 1.017 151 Q N 1.514 121.081 119.800 -0.387 0.000 2.262 151 Q HA 0.099 4.453 4.340 0.023 0.000 0.298 151 Q C 1.305 177.359 176.000 0.089 0.000 1.083 151 Q CA 2.172 58.030 55.803 0.090 0.000 0.962 151 Q CB -0.352 28.604 28.738 0.363 0.000 1.104 151 Q HN 0.947 nan 8.270 nan 0.000 0.376 152 G N 3.946 112.796 108.800 0.084 0.000 2.213 152 G HA2 -0.282 3.692 3.960 0.023 0.000 0.236 152 G HA3 -0.282 3.692 3.960 0.023 0.000 0.236 152 G C -0.365 174.522 174.900 -0.021 0.000 0.991 152 G CA 0.019 45.170 45.100 0.084 0.000 0.629 152 G HN 0.637 nan 8.290 nan 0.000 0.517 153 W N 2.784 123.822 121.300 -0.436 0.000 2.266 153 W HA 0.592 5.266 4.660 0.024 0.000 0.317 153 W C 1.428 177.743 176.519 -0.340 0.000 1.310 153 W CA -0.065 56.969 57.345 -0.519 0.000 1.207 153 W CB 0.808 29.817 29.460 -0.752 0.000 1.199 153 W HN 0.187 nan 8.180 nan 0.000 0.544 154 K N 2.982 122.801 120.400 -0.968 0.000 2.049 154 K HA -0.246 4.088 4.320 0.023 0.000 0.219 154 K C 1.799 177.639 176.600 -1.267 0.000 1.056 154 K CA 2.410 58.144 56.287 -0.921 0.000 0.946 154 K CB -0.773 31.318 32.500 -0.681 0.000 0.723 154 K HN 0.762 nan 8.250 nan 0.000 0.453 155 G N -0.771 106.654 108.800 -2.292 0.000 2.813 155 G HA2 -0.073 3.901 3.960 0.023 0.000 0.209 155 G HA3 -0.073 3.901 3.960 0.023 0.000 0.209 155 G C 1.237 175.413 174.900 -1.207 0.000 1.150 155 G CA 0.448 44.211 45.100 -2.228 0.000 0.785 155 G HN 0.307 nan 8.290 nan 0.000 0.535 156 S N 1.948 117.184 115.700 -0.773 0.000 2.368 156 S HA -0.139 4.345 4.470 0.023 0.000 0.226 156 S C 0.075 174.234 174.600 -0.734 0.000 1.044 156 S CA 1.756 59.614 58.200 -0.570 0.000 1.062 156 S CB -0.927 61.835 63.200 -0.731 0.000 0.931 156 S HN 0.340 nan 8.310 nan 0.000 0.440 157 P HA -0.037 nan 4.420 nan 0.000 0.210 157 P C 1.672 178.851 177.300 -0.201 0.000 1.189 157 P CA 1.559 64.466 63.100 -0.322 0.000 0.920 157 P CB -0.270 31.312 31.700 -0.196 0.000 0.782 158 A N -0.878 121.754 122.820 -0.313 0.000 1.958 158 A HA -0.247 4.087 4.320 0.023 0.000 0.221 158 A C 2.264 179.741 177.584 -0.179 0.000 1.178 158 A CA 1.986 53.884 52.037 -0.232 0.000 0.642 158 A CB -1.851 16.965 19.000 -0.307 0.000 0.816 158 A HN 0.138 nan 8.150 nan 0.000 0.453 159 I N -2.338 118.074 120.570 -0.263 0.000 2.193 159 I HA -0.150 4.035 4.170 0.023 0.000 0.240 159 I C 2.318 178.366 176.117 -0.116 0.000 1.084 159 I CA 1.425 62.630 61.300 -0.159 0.000 1.365 159 I CB -0.393 37.516 38.000 -0.151 0.000 1.064 159 I HN 0.471 nan 8.210 nan 0.000 0.410 160 F N 1.804 121.616 119.950 -0.229 0.000 2.120 160 F HA -0.346 4.195 4.527 0.023 0.000 0.300 160 F C 2.599 178.351 175.800 -0.080 0.000 1.095 160 F CA 2.250 60.164 58.000 -0.144 0.000 1.249 160 F CB -0.424 38.492 39.000 -0.141 0.000 0.995 160 F HN 0.065 nan 8.300 nan 0.000 0.480 161 Q N 0.296 120.001 119.800 -0.158 0.000 1.948 161 Q HA -0.262 4.092 4.340 0.023 0.000 0.205 161 Q C 2.527 178.366 176.000 -0.268 0.000 0.992 161 Q CA 2.801 58.480 55.803 -0.208 0.000 0.849 161 Q CB -0.762 27.964 28.738 -0.020 0.000 0.918 161 Q HN 0.480 nan 8.270 nan 0.000 0.421 162 S N -0.447 115.158 115.700 -0.159 0.000 2.378 162 S HA -0.276 4.208 4.470 0.023 0.000 0.229 162 S C 2.054 176.532 174.600 -0.203 0.000 1.052 162 S CA 2.117 60.239 58.200 -0.130 0.000 1.084 162 S CB -0.737 62.418 63.200 -0.076 0.000 0.950 162 S HN 0.567 nan 8.310 nan 0.000 0.440 163 S N 1.280 116.821 115.700 -0.265 0.000 2.359 163 S HA -0.180 4.304 4.470 0.023 0.000 0.223 163 S C 1.858 176.226 174.600 -0.388 0.000 1.039 163 S CA 1.877 59.890 58.200 -0.311 0.000 1.042 163 S CB -0.644 62.372 63.200 -0.306 0.000 0.915 163 S HN 0.645 nan 8.310 nan 0.000 0.439 164 M N 2.070 121.355 119.600 -0.526 0.000 2.082 164 M HA -0.145 4.349 4.480 0.023 0.000 0.258 164 M C 1.978 178.113 176.300 -0.276 0.000 1.069 164 M CA 1.834 56.855 55.300 -0.464 0.000 1.102 164 M CB -1.530 30.708 32.600 -0.604 0.000 1.336 164 M HN 0.252 nan 8.290 nan 0.000 0.404 165 T N 0.859 115.281 114.554 -0.220 0.000 2.665 165 T HA -0.210 4.154 4.350 0.023 0.000 0.268 165 T C 1.824 176.455 174.700 -0.114 0.000 1.035 165 T CA 1.985 64.011 62.100 -0.123 0.000 1.151 165 T CB -0.270 68.548 68.868 -0.083 0.000 0.862 165 T HN 0.468 nan 8.240 nan 0.000 0.438 166 K N 0.550 120.855 120.400 -0.158 0.000 1.985 166 K HA 0.038 4.372 4.320 0.023 0.000 0.210 166 K C 2.316 178.816 176.600 -0.167 0.000 1.047 166 K CA 1.244 57.442 56.287 -0.149 0.000 0.932 166 K CB -0.485 31.902 32.500 -0.189 0.000 0.716 166 K HN 0.290 nan 8.250 nan 0.000 0.439 167 I N 1.223 121.604 120.570 -0.315 0.000 2.229 167 I HA -0.329 3.855 4.170 0.023 0.000 0.250 167 I C 2.080 178.194 176.117 -0.006 0.000 1.096 167 I CA 1.197 62.274 61.300 -0.371 0.000 1.358 167 I CB -0.314 37.340 38.000 -0.576 0.000 1.047 167 I HN 0.127 nan 8.210 nan 0.000 0.422 168 L N 0.117 121.331 121.223 -0.016 0.000 2.209 168 L HA -0.096 4.258 4.340 0.023 0.000 0.207 168 L C 2.381 179.322 176.870 0.119 0.000 1.094 168 L CA 1.327 56.211 54.840 0.073 0.000 0.790 168 L CB -0.804 41.259 42.059 0.006 0.000 0.932 168 L HN 0.212 nan 8.230 nan 0.000 0.447 169 E N 0.512 120.752 120.200 0.066 0.000 2.113 169 E HA -0.273 4.091 4.350 0.023 0.000 0.210 169 E C -0.589 176.066 176.600 0.091 0.000 1.040 169 E CA 2.340 58.781 56.400 0.067 0.000 0.847 169 E CB -0.807 28.915 29.700 0.036 0.000 0.755 169 E HN 0.323 nan 8.360 nan 0.000 0.459 170 P HA -0.203 nan 4.420 nan 0.000 0.213 170 P C 1.621 178.953 177.300 0.054 0.000 1.170 170 P CA 1.411 64.564 63.100 0.088 0.000 0.898 170 P CB -0.491 31.291 31.700 0.137 0.000 0.787 171 F N 1.466 121.352 119.950 -0.107 0.000 2.043 171 F HA -0.245 4.296 4.527 0.023 0.000 0.297 171 F C 2.713 178.471 175.800 -0.070 0.000 1.118 171 F CA 2.009 59.914 58.000 -0.159 0.000 1.202 171 F CB -0.527 38.334 39.000 -0.232 0.000 0.965 171 F HN -0.275 nan 8.300 nan 0.000 0.482 172 R N -0.035 120.652 120.500 0.311 0.000 2.119 172 R HA -0.220 4.134 4.340 0.023 0.000 0.246 172 R C 2.267 178.604 176.300 0.061 0.000 1.146 172 R CA 1.624 57.843 56.100 0.199 0.000 0.962 172 R CB -0.487 29.895 30.300 0.138 0.000 0.863 172 R HN 0.133 nan 8.270 nan 0.000 0.442 173 K N 0.827 121.245 120.400 0.031 0.000 2.025 173 K HA -0.161 4.173 4.320 0.023 0.000 0.207 173 K C 2.058 178.624 176.600 -0.058 0.000 1.049 173 K CA 1.531 57.814 56.287 -0.006 0.000 0.933 173 K CB -0.133 32.368 32.500 0.002 0.000 0.714 173 K HN 0.012 nan 8.250 nan 0.000 0.438 174 Q N 0.981 120.710 119.800 -0.118 0.000 2.167 174 Q HA 0.004 4.358 4.340 0.023 0.000 0.202 174 Q C -0.082 175.779 176.000 -0.233 0.000 0.970 174 Q CA 1.289 56.982 55.803 -0.183 0.000 0.855 174 Q CB 0.164 28.753 28.738 -0.248 0.000 0.911 174 Q HN 0.191 nan 8.270 nan 0.000 0.438 175 N N 0.876 119.400 118.700 -0.294 0.000 2.886 175 N HA 0.161 4.915 4.740 0.023 0.000 0.285 175 N C -2.294 173.172 175.510 -0.073 0.000 1.706 175 N CA -0.960 51.942 53.050 -0.246 0.000 0.904 175 N CB 1.398 39.593 38.487 -0.485 0.000 1.224 175 N HN 0.262 nan 8.380 nan 0.000 0.488 176 P HA -0.137 nan 4.420 nan 0.000 0.219 176 P C 0.461 177.773 177.300 0.019 0.000 1.146 176 P CA 1.325 64.426 63.100 0.001 0.000 0.808 176 P CB 0.281 31.976 31.700 -0.009 0.000 0.779 177 D N -0.664 119.743 120.400 0.012 0.000 2.340 177 D HA 0.020 4.674 4.640 0.023 0.000 0.220 177 D C 0.723 177.053 176.300 0.050 0.000 1.039 177 D CA -0.074 53.941 54.000 0.026 0.000 0.866 177 D CB -0.750 40.060 40.800 0.016 0.000 0.913 177 D HN 0.256 nan 8.370 nan 0.000 0.523 178 I N 1.120 121.729 120.570 0.066 0.000 2.330 178 I HA 0.194 4.378 4.170 0.023 0.000 0.289 178 I C -0.525 175.658 176.117 0.111 0.000 1.001 178 I CA -1.122 60.241 61.300 0.106 0.000 1.193 178 I CB 2.144 40.239 38.000 0.158 0.000 1.345 178 I HN -0.278 nan 8.210 nan 0.000 0.461 179 V N 7.838 127.809 119.914 0.095 0.000 2.348 179 V HA 0.377 4.511 4.120 0.023 0.000 0.270 179 V C 0.296 176.439 176.094 0.082 0.000 1.037 179 V CA -0.287 62.061 62.300 0.080 0.000 0.872 179 V CB 0.910 32.766 31.823 0.055 0.000 1.002 179 V HN 0.487 nan 8.190 nan 0.000 0.464 180 I N 4.425 125.044 120.570 0.081 0.000 2.437 180 I HA 0.507 4.691 4.170 0.023 0.000 0.298 180 I C -0.107 176.066 176.117 0.093 0.000 0.984 180 I CA -0.280 61.062 61.300 0.070 0.000 1.214 180 I CB 1.698 39.716 38.000 0.030 0.000 1.365 180 I HN 0.646 nan 8.210 nan 0.000 0.469 181 C N 6.239 125.624 119.300 0.142 0.000 2.482 181 C HA 0.398 4.872 4.460 0.023 0.000 0.317 181 C C -0.463 174.696 174.990 0.280 0.000 1.197 181 C CA -0.314 58.821 59.018 0.195 0.000 1.432 181 C CB 1.338 29.195 27.740 0.195 0.000 2.062 181 C HN 0.865 nan 8.230 nan 0.000 0.471 182 Q N 3.365 123.311 119.800 0.243 0.000 2.256 182 Q HA 0.510 4.864 4.340 0.023 0.000 0.257 182 Q C -2.024 174.205 176.000 0.381 0.000 0.936 182 Q CA -0.426 55.532 55.803 0.259 0.000 0.903 182 Q CB 1.678 30.502 28.738 0.143 0.000 1.263 182 Q HN 0.863 nan 8.270 nan 0.000 0.440 183 Y N 5.244 125.716 120.300 0.287 0.000 2.298 183 Y HA 0.245 4.809 4.550 0.024 0.000 0.322 183 Y C -0.233 175.795 175.900 0.212 0.000 1.138 183 Y CA -0.365 57.901 58.100 0.276 0.000 1.127 183 Y CB 0.744 39.458 38.460 0.423 0.000 1.178 183 Y HN 1.021 nan 8.280 nan 0.000 0.428 184 M N 2.133 121.577 119.600 -0.259 0.000 7.319 184 M HA -0.357 4.137 4.480 0.023 0.000 0.311 184 M C 0.289 176.597 176.300 0.014 0.000 0.480 184 M CA 2.631 57.827 55.300 -0.173 0.000 1.311 184 M CB -0.732 31.747 32.600 -0.201 0.000 0.421 184 M HN 0.845 nan 8.290 nan 0.000 0.799 185 D N -0.032 120.327 120.400 -0.068 0.000 2.538 185 D HA 0.364 5.018 4.640 0.023 0.000 0.234 185 D C -0.834 175.472 176.300 0.009 0.000 1.191 185 D CA -0.130 53.803 54.000 -0.112 0.000 0.828 185 D CB -0.193 40.434 40.800 -0.288 0.000 0.981 185 D HN 0.329 nan 8.370 nan 0.000 0.490 186 D N -0.177 120.276 120.400 0.087 0.000 2.601 186 D HA 0.438 5.092 4.640 0.023 0.000 0.230 186 D C -1.321 174.936 176.300 -0.072 0.000 1.106 186 D CA -0.645 53.342 54.000 -0.021 0.000 0.873 186 D CB 1.887 42.665 40.800 -0.037 0.000 1.515 186 D HN -0.045 nan 8.370 nan 0.000 0.468 187 L N 1.991 123.042 121.223 -0.286 0.000 2.356 187 L HA 0.408 4.762 4.340 0.023 0.000 0.277 187 L C -1.375 175.214 176.870 -0.469 0.000 0.996 187 L CA -0.661 54.045 54.840 -0.223 0.000 0.822 187 L CB 1.034 43.026 42.059 -0.111 0.000 1.256 187 L HN 0.338 nan 8.230 nan 0.000 0.413 188 Y N 3.787 124.085 120.300 -0.004 0.000 2.402 188 Y HA 0.562 5.126 4.550 0.024 0.000 0.332 188 Y C -0.090 175.784 175.900 -0.044 0.000 0.960 188 Y CA -0.860 57.197 58.100 -0.071 0.000 1.228 188 Y CB 1.483 39.873 38.460 -0.116 0.000 1.120 188 Y HN 0.207 nan 8.280 nan 0.000 0.491 189 V N 3.164 123.115 119.914 0.062 0.000 2.398 189 V HA 0.857 4.991 4.120 0.023 0.000 0.286 189 V C 0.349 176.539 176.094 0.160 0.000 1.026 189 V CA -0.636 61.716 62.300 0.087 0.000 0.868 189 V CB 1.251 33.099 31.823 0.041 0.000 0.982 189 V HN 0.875 nan 8.190 nan 0.000 0.443 190 G N 2.649 111.539 108.800 0.151 0.000 2.658 190 G HA2 0.888 4.862 3.960 0.023 0.000 0.292 190 G HA3 0.888 4.862 3.960 0.023 0.000 0.292 190 G C -0.764 174.250 174.900 0.189 0.000 1.320 190 G CA -0.121 45.074 45.100 0.159 0.000 0.933 190 G HN 1.205 nan 8.290 nan 0.000 0.476 191 S N -1.275 114.524 115.700 0.165 0.000 2.645 191 S HA 0.371 4.855 4.470 0.023 0.000 0.268 191 S C -1.501 173.158 174.600 0.099 0.000 1.110 191 S CA -0.727 57.568 58.200 0.159 0.000 0.823 191 S CB 1.741 65.104 63.200 0.272 0.000 1.091 191 S HN 0.359 nan 8.310 nan 0.000 0.466 192 D N 0.979 121.426 120.400 0.077 0.000 2.525 192 D HA 0.321 4.975 4.640 0.023 0.000 0.229 192 D C -0.112 176.220 176.300 0.053 0.000 1.202 192 D CA 0.032 54.059 54.000 0.045 0.000 0.828 192 D CB 0.172 40.987 40.800 0.025 0.000 1.008 192 D HN 0.430 nan 8.370 nan 0.000 0.493 193 L N 1.060 122.339 121.223 0.093 0.000 2.375 193 L HA 0.187 4.541 4.340 0.023 0.000 0.271 193 L C 1.167 178.084 176.870 0.079 0.000 1.107 193 L CA -0.602 54.292 54.840 0.090 0.000 0.806 193 L CB 1.119 43.252 42.059 0.124 0.000 1.146 193 L HN -0.009 nan 8.230 nan 0.000 0.447 194 E N 2.726 122.960 120.200 0.056 0.000 2.438 194 E HA -0.021 4.343 4.350 0.023 0.000 0.261 194 E C 0.967 177.606 176.600 0.065 0.000 1.103 194 E CA -0.203 56.222 56.400 0.042 0.000 0.959 194 E CB 0.840 30.559 29.700 0.032 0.000 0.958 194 E HN 0.525 nan 8.360 nan 0.000 0.447 195 I N 2.570 123.167 120.570 0.044 0.000 2.148 195 I HA -0.366 3.818 4.170 0.023 0.000 0.229 195 I C 2.349 178.525 176.117 0.099 0.000 0.993 195 I CA 1.969 63.303 61.300 0.056 0.000 1.295 195 I CB -1.341 36.677 38.000 0.030 0.000 1.004 195 I HN 0.768 nan 8.210 nan 0.000 0.386 196 G N -0.244 108.598 108.800 0.069 0.000 2.503 196 G HA2 -0.302 3.672 3.960 0.023 0.000 0.221 196 G HA3 -0.302 3.672 3.960 0.023 0.000 0.221 196 G C 1.601 176.547 174.900 0.077 0.000 1.131 196 G CA 0.768 45.908 45.100 0.067 0.000 0.756 196 G HN 0.386 nan 8.290 nan 0.000 0.572 197 Q N 0.004 119.851 119.800 0.078 0.000 2.030 197 Q HA -0.172 4.183 4.340 0.023 0.000 0.204 197 Q C 2.213 178.271 176.000 0.097 0.000 0.986 197 Q CA 2.150 57.996 55.803 0.072 0.000 0.843 197 Q CB -0.694 28.083 28.738 0.066 0.000 0.904 197 Q HN 0.784 nan 8.270 nan 0.000 0.420 198 H N 0.186 119.279 119.070 0.038 0.000 2.290 198 H HA -0.071 4.500 4.556 0.024 0.000 0.298 198 H C 2.228 177.591 175.328 0.058 0.000 1.087 198 H CA 2.217 58.295 56.048 0.051 0.000 1.291 198 H CB 0.040 29.831 29.762 0.048 0.000 1.369 198 H HN 0.091 nan 8.280 nan 0.000 0.492 199 R N -0.406 120.208 120.500 0.191 0.000 2.113 199 R HA -0.170 4.184 4.340 0.023 0.000 0.244 199 R C 2.016 178.346 176.300 0.049 0.000 1.142 199 R CA 2.251 58.425 56.100 0.124 0.000 0.953 199 R CB -0.502 29.863 30.300 0.107 0.000 0.860 199 R HN 0.441 nan 8.270 nan 0.000 0.438 200 T N 1.315 115.896 114.554 0.045 0.000 2.684 200 T HA -0.131 4.234 4.350 0.023 0.000 0.267 200 T C 1.755 176.475 174.700 0.033 0.000 1.036 200 T CA 1.298 63.420 62.100 0.036 0.000 1.148 200 T CB -0.097 68.790 68.868 0.032 0.000 0.863 200 T HN 0.186 nan 8.240 nan 0.000 0.436 201 K N 0.698 121.105 120.400 0.011 0.000 2.148 201 K HA 0.059 4.393 4.320 0.023 0.000 0.204 201 K C 2.261 178.910 176.600 0.080 0.000 1.050 201 K CA 0.599 56.918 56.287 0.053 0.000 0.942 201 K CB -0.534 31.976 32.500 0.018 0.000 0.724 201 K HN 0.314 nan 8.250 nan 0.000 0.446 202 I N 1.130 121.674 120.570 -0.044 0.000 2.127 202 I HA -0.262 3.922 4.170 0.023 0.000 0.241 202 I C 2.354 178.482 176.117 0.019 0.000 1.075 202 I CA 1.462 62.734 61.300 -0.047 0.000 1.334 202 I CB -0.921 37.051 38.000 -0.046 0.000 1.040 202 I HN 0.205 nan 8.210 nan 0.000 0.405 203 E N 1.083 121.308 120.200 0.042 0.000 2.047 203 E HA -0.245 4.119 4.350 0.023 0.000 0.191 203 E C 2.161 178.816 176.600 0.092 0.000 0.987 203 E CA 1.489 57.923 56.400 0.057 0.000 0.799 203 E CB -0.230 29.501 29.700 0.052 0.000 0.752 203 E HN 0.395 nan 8.360 nan 0.000 0.449 204 E N -0.296 119.977 120.200 0.122 0.000 2.086 204 E HA -0.258 4.106 4.350 0.023 0.000 0.200 204 E C 2.063 178.836 176.600 0.288 0.000 1.012 204 E CA 1.548 58.063 56.400 0.191 0.000 0.812 204 E CB -0.245 29.572 29.700 0.196 0.000 0.743 204 E HN 0.322 nan 8.360 nan 0.000 0.453 205 L N 1.313 122.684 121.223 0.246 0.000 2.046 205 L HA -0.148 4.206 4.340 0.023 0.000 0.208 205 L C 2.518 179.377 176.870 -0.018 0.000 1.077 205 L CA 1.992 56.761 54.840 -0.118 0.000 0.747 205 L CB -0.605 41.151 42.059 -0.506 0.000 0.896 205 L HN 0.019 nan 8.230 nan 0.000 0.432 206 R N -0.853 119.658 120.500 0.018 0.000 2.081 206 R HA -0.157 4.197 4.340 0.023 0.000 0.235 206 R C 2.278 178.624 176.300 0.076 0.000 1.131 206 R CA 1.824 57.945 56.100 0.035 0.000 0.960 206 R CB -0.249 30.072 30.300 0.034 0.000 0.856 206 R HN 0.563 nan 8.270 nan 0.000 0.436 207 Q N -1.313 118.549 119.800 0.102 0.000 2.369 207 Q HA -0.162 4.192 4.340 0.023 0.000 0.206 207 Q C 1.501 177.584 176.000 0.139 0.000 0.963 207 Q CA 1.109 56.972 55.803 0.101 0.000 0.894 207 Q CB 0.108 28.900 28.738 0.090 0.000 0.965 207 Q HN 0.490 nan 8.270 nan 0.000 0.475 208 H N 0.374 119.503 119.070 0.097 0.000 2.343 208 H HA 0.018 4.588 4.556 0.023 0.000 0.303 208 H C 1.649 177.110 175.328 0.221 0.000 1.068 208 H CA 1.181 57.323 56.048 0.157 0.000 1.359 208 H CB 0.014 29.902 29.762 0.210 0.000 1.402 208 H HN 0.104 nan 8.280 nan 0.000 0.515 209 L N -0.339 120.950 121.223 0.109 0.000 2.275 209 L HA -0.088 4.266 4.340 0.023 0.000 0.215 209 L C 2.022 178.960 176.870 0.113 0.000 1.119 209 L CA 0.454 55.344 54.840 0.084 0.000 0.790 209 L CB -0.173 41.918 42.059 0.053 0.000 0.919 209 L HN 0.273 nan 8.230 nan 0.000 0.443 210 L N -0.274 120.995 121.223 0.078 0.000 2.341 210 L HA -0.038 4.316 4.340 0.023 0.000 0.214 210 L C 2.288 179.168 176.870 0.015 0.000 1.115 210 L CA 1.098 55.975 54.840 0.061 0.000 0.820 210 L CB -0.316 41.772 42.059 0.047 0.000 0.944 210 L HN 0.084 nan 8.230 nan 0.000 0.452 211 R N -1.599 118.863 120.500 -0.063 0.000 2.340 211 R HA -0.121 4.233 4.340 0.023 0.000 0.215 211 R C 0.121 176.138 176.300 -0.470 0.000 1.017 211 R CA 0.552 56.494 56.100 -0.263 0.000 1.111 211 R CB -0.253 29.846 30.300 -0.336 0.000 1.049 211 R HN 0.453 nan 8.270 nan 0.000 0.490 212 W N -1.931 119.319 121.300 -0.083 0.000 1.737 212 W HA 0.286 4.960 4.660 0.024 0.000 0.262 212 W C 1.026 177.532 176.519 -0.022 0.000 0.852 212 W CA -0.036 57.266 57.345 -0.072 0.000 1.462 212 W CB 1.228 30.610 29.460 -0.129 0.000 1.005 212 W HN 0.230 nan 8.180 nan 0.000 0.472 213 G N 1.011 109.920 108.800 0.181 0.000 2.267 213 G HA2 -0.338 3.636 3.960 0.023 0.000 0.257 213 G HA3 -0.338 3.636 3.960 0.023 0.000 0.257 213 G C 0.132 175.119 174.900 0.146 0.000 0.998 213 G CA 0.254 45.442 45.100 0.146 0.000 0.620 213 G HN 0.126 nan 8.290 nan 0.000 0.529 214 L N 2.539 123.859 121.223 0.161 0.000 2.312 214 L HA 0.446 4.800 4.340 0.023 0.000 0.287 214 L C 1.130 178.069 176.870 0.114 0.000 1.091 214 L CA 0.189 55.119 54.840 0.151 0.000 0.846 214 L CB 0.952 43.103 42.059 0.154 0.000 1.219 214 L HN 0.286 nan 8.230 nan 0.000 0.439 215 T N 1.835 116.448 114.554 0.099 0.000 2.897 215 T HA 0.520 4.884 4.350 0.023 0.000 0.294 215 T C 0.168 174.906 174.700 0.064 0.000 1.004 215 T CA -0.283 61.861 62.100 0.073 0.000 1.106 215 T CB 0.847 69.752 68.868 0.062 0.000 0.949 215 T HN 0.616 nan 8.240 nan 0.000 0.520 216 T N 3.804 118.391 114.554 0.054 0.000 2.887 216 T HA 0.665 5.029 4.350 0.023 0.000 0.292 216 T C -2.827 171.904 174.700 0.051 0.000 1.087 216 T CA -1.494 60.634 62.100 0.046 0.000 1.009 216 T CB 1.459 70.350 68.868 0.038 0.000 1.203 216 T HN 0.619 nan 8.240 nan 0.000 0.518 217 P HA 0.242 nan 4.420 nan 0.000 0.275 217 P C -0.810 176.546 177.300 0.094 0.000 1.227 217 P CA -0.223 62.928 63.100 0.085 0.000 0.781 217 P CB 0.678 32.430 31.700 0.087 0.000 0.906 218 D N 1.913 122.388 120.400 0.125 0.000 2.341 218 D HA 0.022 4.676 4.640 0.023 0.000 0.245 218 D C 1.201 177.533 176.300 0.053 0.000 1.106 218 D CA -0.219 53.828 54.000 0.080 0.000 0.905 218 D CB 1.138 41.981 40.800 0.072 0.000 1.202 218 D HN 0.104 nan 8.370 nan 0.000 0.426 219 K N 1.582 122.001 120.400 0.031 0.000 2.228 219 K HA -0.211 4.123 4.320 0.023 0.000 0.205 219 K C 1.691 178.283 176.600 -0.014 0.000 1.045 219 K CA 1.165 57.469 56.287 0.028 0.000 0.931 219 K CB -0.031 32.488 32.500 0.031 0.000 0.727 219 K HN 0.321 nan 8.250 nan 0.000 0.458 220 K N -0.483 119.860 120.400 -0.095 0.000 2.217 220 K HA -0.084 4.250 4.320 0.023 0.000 0.202 220 K C 0.244 176.666 176.600 -0.298 0.000 1.051 220 K CA 1.005 57.154 56.287 -0.231 0.000 0.952 220 K CB 0.178 32.459 32.500 -0.365 0.000 0.736 220 K HN 0.222 nan 8.250 nan 0.000 0.453 221 H N 0.716 119.807 119.070 0.034 0.000 2.507 221 H HA 0.277 4.847 4.556 0.023 0.000 0.271 221 H C -0.528 174.825 175.328 0.042 0.000 1.224 221 H CA -0.168 55.900 56.048 0.034 0.000 1.000 221 H CB 0.263 30.041 29.762 0.027 0.000 1.663 221 H HN 0.257 nan 8.280 nan 0.000 0.548 222 Q N 0.399 120.277 119.800 0.130 0.000 2.378 222 Q HA 0.430 4.784 4.340 0.023 0.000 0.276 222 Q C -0.182 175.899 176.000 0.135 0.000 1.083 222 Q CA -1.043 54.833 55.803 0.121 0.000 0.856 222 Q CB 2.567 31.368 28.738 0.105 0.000 1.383 222 Q HN 0.181 nan 8.270 nan 0.000 0.458 223 K N 1.387 121.893 120.400 0.177 0.000 2.174 223 K HA 0.258 4.592 4.320 0.023 0.000 0.275 223 K C -0.578 176.202 176.600 0.301 0.000 1.015 223 K CA -0.353 56.091 56.287 0.261 0.000 0.933 223 K CB 0.735 33.459 32.500 0.373 0.000 1.025 223 K HN 0.346 nan 8.250 nan 0.000 0.463 224 E N 2.672 122.931 120.200 0.098 0.000 2.210 224 E HA 0.299 4.663 4.350 0.023 0.000 0.266 224 E C -2.494 173.702 176.600 -0.674 0.000 0.883 224 E CA -2.395 53.907 56.400 -0.163 0.000 0.761 224 E CB 1.393 31.041 29.700 -0.087 0.000 1.156 224 E HN 0.323 nan 8.360 nan 0.000 0.412 225 P HA 0.029 nan 4.420 nan 0.000 0.269 225 P C -2.096 174.841 177.300 -0.605 0.000 1.211 225 P CA -0.521 61.903 63.100 -1.127 0.000 0.781 225 P CB -0.176 31.152 31.700 -0.620 0.000 0.877 226 P HA 0.223 nan 4.420 nan 0.000 0.275 226 P C -1.058 175.905 177.300 -0.561 0.000 1.266 226 P CA 0.175 62.837 63.100 -0.731 0.000 0.793 226 P CB 0.496 31.669 31.700 -0.879 0.000 1.074 227 F N -1.036 118.892 119.950 -0.037 0.000 2.546 227 F HA 0.388 4.929 4.527 0.023 0.000 0.320 227 F C 0.478 176.365 175.800 0.145 0.000 1.076 227 F CA -1.085 56.959 58.000 0.073 0.000 0.928 227 F CB 1.301 40.356 39.000 0.091 0.000 1.189 227 F HN 0.110 nan 8.300 nan 0.000 0.465 228 L N 0.665 122.125 121.223 0.396 0.000 2.349 228 L HA 0.485 4.839 4.340 0.023 0.000 0.275 228 L C -0.433 176.710 176.870 0.456 0.000 1.115 228 L CA -0.276 54.759 54.840 0.325 0.000 0.820 228 L CB 1.645 43.837 42.059 0.221 0.000 1.135 228 L HN 0.757 nan 8.230 nan 0.000 0.445 229 W N 3.498 124.861 121.300 0.105 0.000 4.007 229 W HA 0.392 5.066 4.660 0.023 0.000 0.565 229 W C 0.142 176.693 176.519 0.052 0.000 2.287 229 W CA -0.878 56.491 57.345 0.040 0.000 0.957 229 W CB 1.398 30.885 29.460 0.046 0.000 2.578 229 W HN 0.436 nan 8.180 nan 0.000 0.609 230 M N 2.733 122.311 119.600 -0.037 0.000 3.722 230 M HA 0.140 4.634 4.480 0.023 0.000 0.183 230 M C 0.756 177.191 176.300 0.225 0.000 1.485 230 M CA 1.395 56.678 55.300 -0.029 0.000 1.685 230 M CB -0.929 31.671 32.600 -0.000 0.000 1.198 230 M HN 0.692 nan 8.290 nan 0.000 0.494 231 G N -0.641 108.200 108.800 0.068 0.000 2.176 231 G HA2 -0.256 3.718 3.960 0.023 0.000 0.232 231 G HA3 -0.256 3.718 3.960 0.023 0.000 0.232 231 G C -0.318 174.464 174.900 -0.196 0.000 0.986 231 G CA -0.513 44.505 45.100 -0.136 0.000 0.643 231 G HN 0.502 nan 8.290 nan 0.000 0.522 232 Y N 0.327 120.747 120.300 0.200 0.000 2.453 232 Y HA 0.649 5.212 4.550 0.022 0.000 0.326 232 Y C 0.647 176.706 175.900 0.265 0.000 1.186 232 Y CA -0.744 57.498 58.100 0.238 0.000 1.200 232 Y CB 1.286 39.863 38.460 0.195 0.000 1.247 232 Y HN 0.134 nan 8.280 nan 0.000 0.482 233 E N 2.499 122.958 120.200 0.431 0.000 2.114 233 E HA 0.425 4.789 4.350 0.023 0.000 0.266 233 E C -1.702 175.178 176.600 0.466 0.000 0.896 233 E CA -0.373 56.245 56.400 0.363 0.000 0.750 233 E CB 0.570 30.460 29.700 0.316 0.000 1.121 233 E HN 0.545 nan 8.360 nan 0.000 0.413 234 L N 4.753 126.195 121.223 0.365 0.000 2.282 234 L HA 0.452 4.806 4.340 0.023 0.000 0.288 234 L C -0.547 176.457 176.870 0.223 0.000 1.033 234 L CA -0.713 54.363 54.840 0.393 0.000 0.807 234 L CB 0.902 43.147 42.059 0.310 0.000 1.209 234 L HN 0.607 nan 8.230 nan 0.000 0.423 235 H N 2.505 121.753 119.070 0.297 0.000 2.731 235 H HA 0.314 4.884 4.556 0.024 0.000 0.368 235 H C -1.897 173.598 175.328 0.279 0.000 1.168 235 H CA -1.914 54.257 56.048 0.206 0.000 1.181 235 H CB 1.290 31.135 29.762 0.138 0.000 1.743 235 H HN 0.262 nan 8.280 nan 0.000 0.547 236 P HA -0.107 nan 4.420 nan 0.000 0.229 236 P C 0.048 177.454 177.300 0.176 0.000 1.150 236 P CA 1.336 64.519 63.100 0.140 0.000 0.765 236 P CB 0.377 32.122 31.700 0.075 0.000 0.783 237 D N -2.639 117.973 120.400 0.353 0.000 2.410 237 D HA 0.046 4.700 4.640 0.023 0.000 0.275 237 D C 0.171 176.679 176.300 0.346 0.000 1.152 237 D CA 0.154 54.353 54.000 0.333 0.000 0.825 237 D CB 0.267 41.152 40.800 0.141 0.000 1.312 237 D HN 0.206 nan 8.370 nan 0.000 0.532 238 K N 0.047 120.642 120.400 0.325 0.000 2.546 238 K HA 0.535 4.869 4.320 0.023 0.000 0.264 238 K C -1.020 175.603 176.600 0.038 0.000 0.937 238 K CA -0.997 55.237 56.287 -0.088 0.000 0.833 238 K CB 1.911 34.293 32.500 -0.196 0.000 1.378 238 K HN 0.100 nan 8.250 nan 0.000 0.432 239 W N 0.515 121.741 121.300 -0.123 0.000 2.706 239 W HA 0.716 5.388 4.660 0.021 0.000 0.346 239 W C -1.498 175.110 176.519 0.147 0.000 1.071 239 W CA -0.982 56.403 57.345 0.067 0.000 1.206 239 W CB 1.598 31.008 29.460 -0.084 0.000 1.413 239 W HN 0.446 nan 8.180 nan 0.000 0.542 240 T N 1.614 116.514 114.554 0.575 0.000 2.921 240 T HA 0.222 4.586 4.350 0.023 0.000 0.297 240 T C -0.646 174.329 174.700 0.459 0.000 1.013 240 T CA -0.509 61.824 62.100 0.388 0.000 0.990 240 T CB 2.072 71.076 68.868 0.226 0.000 1.023 240 T HN 0.308 nan 8.240 nan 0.000 0.447 241 V N 4.935 125.079 119.914 0.383 0.000 2.420 241 V HA 0.028 4.163 4.120 0.023 0.000 0.274 241 V C 1.216 177.344 176.094 0.057 0.000 1.003 241 V CA 0.165 62.535 62.300 0.116 0.000 1.092 241 V CB 0.160 31.991 31.823 0.013 0.000 1.002 241 V HN 0.843 nan 8.190 nan 0.000 0.473 242 Q N 7.235 127.046 119.800 0.018 0.000 2.604 242 Q HA -0.054 4.300 4.340 0.023 0.000 0.307 242 Q C -2.003 174.006 176.000 0.015 0.000 1.208 242 Q CA -0.997 54.822 55.803 0.027 0.000 1.059 242 Q CB 0.158 28.882 28.738 -0.022 0.000 1.127 242 Q HN 0.532 nan 8.270 nan 0.000 0.425 243 P HA -0.094 nan 4.420 nan 0.000 0.267 243 P C -0.587 176.743 177.300 0.051 0.000 1.175 243 P CA 0.700 63.852 63.100 0.087 0.000 0.763 243 P CB 0.393 32.133 31.700 0.067 0.000 0.795 244 I N 1.302 121.916 120.570 0.074 0.000 2.802 244 I HA 0.532 4.716 4.170 0.023 0.000 0.298 244 I C -1.591 174.538 176.117 0.019 0.000 1.176 244 I CA -1.020 60.294 61.300 0.023 0.000 1.025 244 I CB 2.101 40.101 38.000 -0.000 0.000 1.243 244 I HN -0.040 nan 8.210 nan 0.000 0.424 245 V N 6.757 126.674 119.914 0.004 0.000 2.808 245 V HA 0.396 4.530 4.120 0.023 0.000 0.308 245 V C -0.194 175.910 176.094 0.017 0.000 1.099 245 V CA -0.675 61.629 62.300 0.005 0.000 0.920 245 V CB 1.917 33.741 31.823 0.002 0.000 1.014 245 V HN 0.581 nan 8.190 nan 0.000 0.425 246 L N 5.665 126.908 121.223 0.033 0.000 2.452 246 L HA 0.411 4.765 4.340 0.023 0.000 0.267 246 L C -1.888 175.032 176.870 0.083 0.000 1.188 246 L CA -1.327 53.556 54.840 0.071 0.000 0.821 246 L CB 0.131 42.245 42.059 0.090 0.000 1.102 246 L HN 0.426 nan 8.230 nan 0.000 0.470 247 P HA 0.126 nan 4.420 nan 0.000 0.277 247 P C -1.085 176.259 177.300 0.073 0.000 1.240 247 P CA -0.465 62.669 63.100 0.056 0.000 0.798 247 P CB 1.213 32.919 31.700 0.010 0.000 0.979 248 E N 1.798 121.997 120.200 -0.001 0.000 2.130 248 E HA 0.295 4.659 4.350 0.023 0.000 0.284 248 E C -0.679 175.826 176.600 -0.158 0.000 1.018 248 E CA -0.418 55.980 56.400 -0.004 0.000 0.817 248 E CB 0.395 30.091 29.700 -0.007 0.000 1.078 248 E HN 0.132 nan 8.360 nan 0.000 0.396 249 K N 2.918 123.139 120.400 -0.298 0.000 2.203 249 K HA 0.250 4.584 4.320 0.023 0.000 0.251 249 K C 0.097 176.406 176.600 -0.484 0.000 0.944 249 K CA -0.412 55.459 56.287 -0.693 0.000 0.829 249 K CB 1.067 32.422 32.500 -1.909 0.000 1.125 249 K HN 0.551 nan 8.250 nan 0.000 0.430 250 D N 0.320 120.487 120.400 -0.387 0.000 2.323 250 D HA -0.037 4.618 4.640 0.023 0.000 0.218 250 D C -0.363 175.819 176.300 -0.196 0.000 0.973 250 D CA 0.180 54.055 54.000 -0.209 0.000 0.890 250 D CB 0.189 40.903 40.800 -0.144 0.000 1.011 250 D HN 0.286 nan 8.370 nan 0.000 0.499 251 S N -0.603 114.926 115.700 -0.286 0.000 2.774 251 S HA 0.448 4.932 4.470 0.023 0.000 0.297 251 S C -1.335 173.150 174.600 -0.190 0.000 1.143 251 S CA -0.941 57.165 58.200 -0.156 0.000 1.090 251 S CB -0.034 63.113 63.200 -0.089 0.000 1.019 251 S HN 0.211 nan 8.310 nan 0.000 0.482 252 W N 3.111 124.410 121.300 -0.002 0.000 2.331 252 W HA 0.480 5.155 4.660 0.025 0.000 0.306 252 W C 1.137 177.656 176.519 -0.000 0.000 1.162 252 W CA -0.366 56.978 57.345 -0.001 0.000 1.232 252 W CB 1.668 31.128 29.460 -0.001 0.000 1.235 252 W HN 0.798 nan 8.180 nan 0.000 0.479 253 T N -0.641 114.093 114.554 0.301 0.000 2.936 253 T HA 0.303 4.667 4.350 0.023 0.000 0.282 253 T C 0.865 175.659 174.700 0.156 0.000 1.003 253 T CA -0.775 61.428 62.100 0.172 0.000 1.005 253 T CB 1.313 70.243 68.868 0.104 0.000 1.097 253 T HN 0.172 nan 8.240 nan 0.000 0.532 254 V N 1.845 121.815 119.914 0.093 0.000 2.214 254 V HA -0.189 3.945 4.120 0.023 0.000 0.247 254 V C 2.863 178.996 176.094 0.066 0.000 1.051 254 V CA 2.589 64.926 62.300 0.062 0.000 1.003 254 V CB -1.423 30.426 31.823 0.043 0.000 0.635 254 V HN 1.019 nan 8.190 nan 0.000 0.447 255 N N 0.234 118.973 118.700 0.065 0.000 2.091 255 N HA -0.224 4.531 4.740 0.023 0.000 0.193 255 N C 1.408 176.971 175.510 0.088 0.000 1.021 255 N CA 1.976 55.063 53.050 0.062 0.000 0.862 255 N CB -0.358 38.160 38.487 0.053 0.000 1.018 255 N HN 0.532 nan 8.380 nan 0.000 0.429 256 D N 0.032 120.515 120.400 0.139 0.000 2.103 256 D HA -0.159 4.495 4.640 0.023 0.000 0.190 256 D C 1.975 178.385 176.300 0.184 0.000 0.997 256 D CA 1.038 55.178 54.000 0.233 0.000 0.833 256 D CB -0.386 40.666 40.800 0.420 0.000 0.961 256 D HN 0.283 nan 8.370 nan 0.000 0.447 257 I N 1.004 121.631 120.570 0.095 0.000 2.127 257 I HA -0.252 3.932 4.170 0.023 0.000 0.241 257 I C 2.399 178.497 176.117 -0.031 0.000 1.075 257 I CA 1.183 62.441 61.300 -0.071 0.000 1.334 257 I CB -1.435 36.503 38.000 -0.103 0.000 1.040 257 I HN 0.158 nan 8.210 nan 0.000 0.405 258 Q N 0.862 120.666 119.800 0.007 0.000 2.062 258 Q HA -0.269 4.085 4.340 0.023 0.000 0.209 258 Q C 2.295 178.308 176.000 0.022 0.000 0.996 258 Q CA 2.186 57.997 55.803 0.013 0.000 0.859 258 Q CB -0.197 28.555 28.738 0.024 0.000 0.920 258 Q HN 0.537 nan 8.270 nan 0.000 0.415 259 K N 0.099 120.524 120.400 0.041 0.000 2.097 259 K HA -0.162 4.172 4.320 0.023 0.000 0.206 259 K C 2.085 178.712 176.600 0.045 0.000 1.049 259 K CA 0.936 57.251 56.287 0.047 0.000 0.933 259 K CB -0.191 32.346 32.500 0.061 0.000 0.717 259 K HN 0.103 nan 8.250 nan 0.000 0.442 260 L N 0.932 122.180 121.223 0.040 0.000 2.005 260 L HA -0.151 4.203 4.340 0.023 0.000 0.207 260 L C 2.012 178.881 176.870 -0.002 0.000 1.072 260 L CA 1.460 56.310 54.840 0.018 0.000 0.744 260 L CB -0.339 41.682 42.059 -0.062 0.000 0.895 260 L HN -0.125 nan 8.230 nan 0.000 0.433 261 V N 0.466 120.365 119.914 -0.024 0.000 2.469 261 V HA -0.244 3.890 4.120 0.023 0.000 0.251 261 V C 2.545 178.657 176.094 0.030 0.000 1.064 261 V CA 1.737 64.030 62.300 -0.012 0.000 1.066 261 V CB -1.749 30.060 31.823 -0.023 0.000 0.667 261 V HN 0.675 nan 8.190 nan 0.000 0.461 262 G N -0.463 108.361 108.800 0.040 0.000 2.434 262 G HA2 -0.275 3.699 3.960 0.023 0.000 0.214 262 G HA3 -0.275 3.699 3.960 0.023 0.000 0.214 262 G C 1.599 176.560 174.900 0.101 0.000 1.202 262 G CA 0.886 46.027 45.100 0.069 0.000 0.788 262 G HN 0.469 nan 8.290 nan 0.000 0.539 263 K N -0.335 120.109 120.400 0.072 0.000 2.152 263 K HA -0.005 4.329 4.320 0.023 0.000 0.206 263 K C 2.370 179.047 176.600 0.127 0.000 1.048 263 K CA 0.655 56.983 56.287 0.069 0.000 0.933 263 K CB -0.161 32.346 32.500 0.012 0.000 0.721 263 K HN 0.167 nan 8.250 nan 0.000 0.447 264 L N 1.276 122.558 121.223 0.098 0.000 2.093 264 L HA -0.155 4.199 4.340 0.023 0.000 0.208 264 L C 2.049 179.005 176.870 0.143 0.000 1.085 264 L CA 1.613 56.515 54.840 0.103 0.000 0.755 264 L CB -1.349 40.736 42.059 0.043 0.000 0.904 264 L HN 0.327 nan 8.230 nan 0.000 0.435 265 N N -0.776 118.005 118.700 0.135 0.000 2.120 265 N HA -0.264 4.490 4.740 0.023 0.000 0.188 265 N C 1.800 177.416 175.510 0.176 0.000 1.024 265 N CA 1.512 54.638 53.050 0.126 0.000 0.852 265 N CB -0.343 38.205 38.487 0.102 0.000 1.003 265 N HN 0.317 nan 8.380 nan 0.000 0.424 266 W N 1.247 122.564 121.300 0.029 0.000 2.318 266 W HA -0.244 4.431 4.660 0.024 0.000 0.313 266 W C 2.277 178.810 176.519 0.024 0.000 1.221 266 W CA 2.558 59.918 57.345 0.024 0.000 1.266 266 W CB -0.559 28.910 29.460 0.014 0.000 1.150 266 W HN 0.160 nan 8.180 nan 0.000 0.496 267 A N 0.252 123.421 122.820 0.582 0.000 1.908 267 A HA -0.305 4.029 4.320 0.023 0.000 0.218 267 A C 2.046 179.772 177.584 0.237 0.000 1.181 267 A CA 2.951 55.289 52.037 0.502 0.000 0.627 267 A CB -1.729 17.547 19.000 0.459 0.000 0.818 267 A HN 0.477 nan 8.150 nan 0.000 0.445 268 S N -0.652 115.141 115.700 0.155 0.000 2.441 268 S HA -0.295 4.189 4.470 0.023 0.000 0.242 268 S C 1.813 176.402 174.600 -0.019 0.000 1.018 268 S CA 1.633 59.879 58.200 0.077 0.000 0.988 268 S CB -0.525 62.703 63.200 0.047 0.000 0.778 268 S HN 0.613 nan 8.310 nan 0.000 0.498 269 Q N 1.067 120.797 119.800 -0.116 0.000 2.046 269 Q HA 0.110 4.465 4.340 0.023 0.000 0.200 269 Q C 2.421 178.282 176.000 -0.232 0.000 0.975 269 Q CA 1.536 57.199 55.803 -0.235 0.000 0.836 269 Q CB -0.406 28.114 28.738 -0.364 0.000 0.896 269 Q HN 0.682 nan 8.270 nan 0.000 0.428 270 I N -0.920 119.515 120.570 -0.225 0.000 2.277 270 I HA -0.184 4.001 4.170 0.023 0.000 0.243 270 I C 0.320 176.328 176.117 -0.181 0.000 1.094 270 I CA 0.780 61.928 61.300 -0.252 0.000 1.393 270 I CB -0.035 37.721 38.000 -0.407 0.000 1.078 270 I HN 0.038 nan 8.210 nan 0.000 0.417 271 Y N 2.790 123.096 120.300 0.009 0.000 2.921 271 Y HA 0.315 4.878 4.550 0.022 0.000 0.346 271 Y C -2.210 173.682 175.900 -0.014 0.000 1.182 271 Y CA -3.556 54.549 58.100 0.009 0.000 1.319 271 Y CB -0.624 37.854 38.460 0.031 0.000 1.403 271 Y HN 0.014 nan 8.280 nan 0.000 0.554 272 P HA 0.167 nan 4.420 nan 0.000 0.267 272 P C 0.873 178.198 177.300 0.042 0.000 1.209 272 P CA 0.968 64.087 63.100 0.031 0.000 0.763 272 P CB 1.522 33.209 31.700 -0.022 0.000 0.816 273 G N 3.262 112.081 108.800 0.030 0.000 2.977 273 G HA2 -0.119 3.855 3.960 0.023 0.000 0.211 273 G HA3 -0.119 3.855 3.960 0.023 0.000 0.211 273 G C 0.148 175.054 174.900 0.010 0.000 0.994 273 G CA -0.490 44.619 45.100 0.015 0.000 0.795 273 G HN 0.450 nan 8.290 nan 0.000 0.518 274 I N 1.653 122.241 120.570 0.029 0.000 2.692 274 I HA 0.293 4.477 4.170 0.023 0.000 0.284 274 I C 0.384 176.506 176.117 0.009 0.000 1.159 274 I CA 0.677 61.990 61.300 0.021 0.000 1.423 274 I CB 0.931 38.966 38.000 0.058 0.000 1.380 274 I HN 0.024 nan 8.210 nan 0.000 0.580 275 K N 4.179 124.577 120.400 -0.004 0.000 2.482 275 K HA 0.531 4.865 4.320 0.023 0.000 0.257 275 K C -0.298 176.291 176.600 -0.019 0.000 0.969 275 K CA -0.581 55.700 56.287 -0.012 0.000 0.842 275 K CB 2.673 35.161 32.500 -0.019 0.000 1.359 275 K HN 0.438 nan 8.250 nan 0.000 0.441 276 V N -2.043 117.858 119.914 -0.022 0.000 3.544 276 V HA 0.201 4.335 4.120 0.023 0.000 0.298 276 V C 1.311 177.384 176.094 -0.036 0.000 1.580 276 V CA -0.268 62.012 62.300 -0.033 0.000 1.122 276 V CB 0.315 32.125 31.823 -0.023 0.000 0.951 276 V HN 0.772 nan 8.190 nan 0.000 0.448 277 R N 0.639 121.121 120.500 -0.030 0.000 2.105 277 R HA -0.104 4.250 4.340 0.023 0.000 0.239 277 R C 2.014 178.292 176.300 -0.037 0.000 1.135 277 R CA 2.177 58.260 56.100 -0.030 0.000 0.967 277 R CB 0.049 30.333 30.300 -0.027 0.000 0.861 277 R HN 0.581 nan 8.270 nan 0.000 0.442 278 Q N -0.166 119.608 119.800 -0.043 0.000 2.451 278 Q HA 0.088 4.443 4.340 0.023 0.000 0.206 278 Q C 0.616 176.575 176.000 -0.069 0.000 0.947 278 Q CA 0.432 56.205 55.803 -0.050 0.000 0.937 278 Q CB 0.374 29.084 28.738 -0.047 0.000 1.025 278 Q HN 0.365 nan 8.270 nan 0.000 0.511 282 L N 2.299 123.490 121.223 -0.053 0.000 2.270 282 L HA -0.180 4.174 4.340 0.023 0.000 0.217 282 L C 2.032 178.883 176.870 -0.031 0.000 1.107 282 L CA 1.798 56.608 54.840 -0.050 0.000 0.772 282 L CB -1.086 40.922 42.059 -0.085 0.000 0.902 282 L HN 0.292 nan 8.230 nan 0.000 0.439 283 L N -1.008 120.198 121.223 -0.029 0.000 2.418 283 L HA -0.019 4.335 4.340 0.023 0.000 0.218 283 L C 1.144 178.009 176.870 -0.007 0.000 1.125 283 L CA -0.072 54.759 54.840 -0.015 0.000 0.835 283 L CB -0.312 41.739 42.059 -0.014 0.000 0.953 283 L HN 0.092 nan 8.230 nan 0.000 0.454 284 R N 1.319 121.813 120.500 -0.010 0.000 2.549 284 R HA 0.052 4.406 4.340 0.023 0.000 0.336 284 R C 1.219 177.518 176.300 -0.002 0.000 0.891 284 R CA 0.821 56.918 56.100 -0.006 0.000 1.102 284 R CB -0.372 29.923 30.300 -0.008 0.000 0.899 284 R HN 0.393 nan 8.270 nan 0.000 0.407 285 G N 2.013 110.813 108.800 0.001 0.000 2.179 285 G HA2 -0.352 3.622 3.960 0.023 0.000 0.260 285 G HA3 -0.352 3.622 3.960 0.023 0.000 0.260 285 G C 0.339 175.243 174.900 0.006 0.000 0.977 285 G CA 0.321 45.422 45.100 0.003 0.000 0.641 285 G HN 0.767 nan 8.290 nan 0.000 0.533 286 T N -0.452 114.106 114.554 0.007 0.000 2.819 286 T HA 0.271 4.635 4.350 0.023 0.000 0.282 286 T C 1.517 176.224 174.700 0.011 0.000 1.013 286 T CA 1.124 63.231 62.100 0.011 0.000 1.159 286 T CB 1.047 69.923 68.868 0.012 0.000 1.007 286 T HN 0.960 nan 8.240 nan 0.000 0.514 287 K N 2.324 122.732 120.400 0.013 0.000 2.166 287 K HA 0.456 4.790 4.320 0.023 0.000 0.201 287 K C 0.739 177.347 176.600 0.014 0.000 1.052 287 K CA 0.316 56.611 56.287 0.012 0.000 0.969 287 K CB 0.380 32.887 32.500 0.012 0.000 0.761 287 K HN 0.780 nan 8.250 nan 0.000 0.459 288 A N 0.315 123.144 122.820 0.016 0.000 2.572 288 A HA 0.431 4.765 4.320 0.023 0.000 0.295 288 A C -0.059 177.538 177.584 0.022 0.000 1.072 288 A CA -0.768 51.280 52.037 0.017 0.000 0.691 288 A CB 1.262 20.271 19.000 0.017 0.000 1.291 288 A HN 0.099 nan 8.150 nan 0.000 0.404 289 L N 1.148 122.384 121.223 0.022 0.000 2.131 289 L HA -0.067 4.287 4.340 0.023 0.000 0.210 289 L C 2.523 179.413 176.870 0.033 0.000 1.092 289 L CA 2.952 57.808 54.840 0.027 0.000 0.759 289 L CB -0.273 41.801 42.059 0.025 0.000 0.903 289 L HN 0.927 nan 8.230 nan 0.000 0.435 290 T N -3.560 111.011 114.554 0.028 0.000 3.194 290 T HA -0.006 4.358 4.350 0.023 0.000 0.251 290 T C 0.795 175.515 174.700 0.033 0.000 1.132 290 T CA -0.285 61.833 62.100 0.029 0.000 1.028 290 T CB -0.498 68.382 68.868 0.021 0.000 0.976 290 T HN 0.390 nan 8.240 nan 0.000 0.535 291 E N 1.071 121.292 120.200 0.035 0.000 2.404 291 E HA 0.256 4.620 4.350 0.023 0.000 0.261 291 E C -1.029 175.602 176.600 0.053 0.000 1.074 291 E CA -0.434 55.988 56.400 0.037 0.000 0.917 291 E CB 0.726 30.445 29.700 0.032 0.000 0.965 291 E HN 0.117 nan 8.360 nan 0.000 0.433 292 V N 5.827 125.772 119.914 0.053 0.000 2.357 292 V HA 0.322 4.456 4.120 0.023 0.000 0.284 292 V C 0.028 176.168 176.094 0.077 0.000 1.018 292 V CA -0.506 61.838 62.300 0.074 0.000 0.841 292 V CB 1.001 32.858 31.823 0.057 0.000 0.991 292 V HN 0.550 nan 8.190 nan 0.000 0.437 293 I N 6.708 127.340 120.570 0.104 0.000 2.392 293 I HA 0.428 4.612 4.170 0.023 0.000 0.295 293 I C -2.102 174.073 176.117 0.097 0.000 0.985 293 I CA -1.902 59.446 61.300 0.080 0.000 1.221 293 I CB 2.048 40.078 38.000 0.051 0.000 1.366 293 I HN 0.412 nan 8.210 nan 0.000 0.467 294 P HA 0.128 nan 4.420 nan 0.000 0.271 294 P C -1.041 176.290 177.300 0.052 0.000 1.233 294 P CA -0.335 62.804 63.100 0.064 0.000 0.789 294 P CB 0.573 32.296 31.700 0.039 0.000 0.951 295 L N 2.288 123.546 121.223 0.057 0.000 2.301 295 L HA 0.218 4.572 4.340 0.023 0.000 0.278 295 L C -0.134 176.739 176.870 0.006 0.000 1.022 295 L CA -0.129 54.725 54.840 0.024 0.000 0.854 295 L CB 0.431 42.532 42.059 0.071 0.000 1.226 295 L HN 0.453 nan 8.230 nan 0.000 0.429 296 T N 1.918 116.463 114.554 -0.015 0.000 2.906 296 T HA -0.114 4.250 4.350 0.023 0.000 0.329 296 T C 1.374 176.068 174.700 -0.010 0.000 1.091 296 T CA 0.127 62.220 62.100 -0.013 0.000 1.127 296 T CB 1.046 69.900 68.868 -0.023 0.000 1.035 296 T HN 0.611 nan 8.240 nan 0.000 0.547 297 E N 0.926 121.124 120.200 -0.004 0.000 2.077 297 E HA -0.192 4.172 4.350 0.023 0.000 0.193 297 E C 1.718 178.312 176.600 -0.010 0.000 0.989 297 E CA 1.250 57.649 56.400 -0.001 0.000 0.800 297 E CB 0.041 29.742 29.700 0.001 0.000 0.746 297 E HN 0.681 nan 8.360 nan 0.000 0.452 298 E N 0.359 120.550 120.200 -0.015 0.000 2.160 298 E HA -0.178 4.186 4.350 0.023 0.000 0.195 298 E C 1.778 178.358 176.600 -0.032 0.000 0.991 298 E CA 1.228 57.615 56.400 -0.021 0.000 0.810 298 E CB -0.231 29.456 29.700 -0.022 0.000 0.742 298 E HN 0.381 nan 8.360 nan 0.000 0.466 299 A N 1.046 123.842 122.820 -0.040 0.000 1.898 299 A HA -0.199 4.135 4.320 0.023 0.000 0.216 299 A C 1.967 179.512 177.584 -0.064 0.000 1.181 299 A CA 1.298 53.295 52.037 -0.067 0.000 0.620 299 A CB -0.263 18.687 19.000 -0.084 0.000 0.819 299 A HN 0.069 nan 8.150 nan 0.000 0.442 300 E N -0.226 119.955 120.200 -0.032 0.000 2.047 300 E HA -0.160 4.204 4.350 0.023 0.000 0.191 300 E C 2.068 178.662 176.600 -0.010 0.000 0.987 300 E CA 1.096 57.492 56.400 -0.008 0.000 0.799 300 E CB -0.615 29.096 29.700 0.017 0.000 0.752 300 E HN 0.650 nan 8.360 nan 0.000 0.449 301 L N 1.156 122.372 121.223 -0.012 0.000 2.187 301 L HA -0.211 4.143 4.340 0.023 0.000 0.213 301 L C 2.338 179.196 176.870 -0.021 0.000 1.100 301 L CA 1.457 56.289 54.840 -0.012 0.000 0.765 301 L CB -0.013 42.039 42.059 -0.012 0.000 0.904 301 L HN 0.127 nan 8.230 nan 0.000 0.437 302 E N -0.294 119.887 120.200 -0.032 0.000 2.033 302 E HA -0.185 4.179 4.350 0.023 0.000 0.189 302 E C 2.307 178.883 176.600 -0.040 0.000 0.979 302 E CA 0.725 57.102 56.400 -0.039 0.000 0.802 302 E CB -0.081 29.588 29.700 -0.051 0.000 0.763 302 E HN 0.526 nan 8.360 nan 0.000 0.449 303 L N 0.675 121.870 121.223 -0.047 0.000 1.990 303 L HA -0.281 4.073 4.340 0.023 0.000 0.213 303 L C 2.593 179.457 176.870 -0.010 0.000 1.072 303 L CA 1.565 56.384 54.840 -0.035 0.000 0.755 303 L CB -0.484 41.561 42.059 -0.023 0.000 0.889 303 L HN 0.262 nan 8.230 nan 0.000 0.432 304 A N -0.510 122.309 122.820 -0.002 0.000 1.851 304 A HA -0.322 4.012 4.320 0.023 0.000 0.216 304 A C 2.157 179.732 177.584 -0.016 0.000 1.195 304 A CA 2.122 54.159 52.037 0.000 0.000 0.622 304 A CB -0.794 18.208 19.000 0.004 0.000 0.831 304 A HN 0.522 nan 8.150 nan 0.000 0.444 305 E N -0.591 119.596 120.200 -0.021 0.000 2.209 305 E HA -0.219 4.145 4.350 0.023 0.000 0.196 305 E C 1.648 178.223 176.600 -0.041 0.000 0.993 305 E CA 1.198 57.581 56.400 -0.028 0.000 0.819 305 E CB -0.073 29.612 29.700 -0.025 0.000 0.745 305 E HN 0.564 nan 8.360 nan 0.000 0.477 306 N N 0.138 118.813 118.700 -0.041 0.000 2.207 306 N HA -0.088 4.666 4.740 0.023 0.000 0.182 306 N C 1.692 177.157 175.510 -0.075 0.000 1.020 306 N CA 0.705 53.722 53.050 -0.054 0.000 0.858 306 N CB -0.152 38.311 38.487 -0.039 0.000 0.991 306 N HN 0.047 nan 8.380 nan 0.000 0.427 307 R N 1.200 121.669 120.500 -0.051 0.000 2.096 307 R HA -0.006 4.348 4.340 0.023 0.000 0.235 307 R C 1.766 178.020 176.300 -0.077 0.000 1.127 307 R CA 0.996 57.064 56.100 -0.053 0.000 0.968 307 R CB 0.011 30.301 30.300 -0.017 0.000 0.861 307 R HN 0.129 nan 8.270 nan 0.000 0.440 308 E N 0.395 120.555 120.200 -0.066 0.000 2.038 308 E HA -0.212 4.152 4.350 0.023 0.000 0.195 308 E C 1.936 178.469 176.600 -0.111 0.000 1.000 308 E CA 1.248 57.607 56.400 -0.067 0.000 0.803 308 E CB -0.165 29.506 29.700 -0.048 0.000 0.750 308 E HN 0.277 nan 8.360 nan 0.000 0.448 309 I N 0.702 121.185 120.570 -0.144 0.000 2.099 309 I HA -0.262 3.922 4.170 0.023 0.000 0.239 309 I C 2.205 178.051 176.117 -0.452 0.000 1.066 309 I CA 0.927 62.085 61.300 -0.235 0.000 1.324 309 I CB -1.263 36.612 38.000 -0.210 0.000 1.037 309 I HN 0.107 nan 8.210 nan 0.000 0.401 310 L N 0.668 121.620 121.223 -0.451 0.000 2.784 310 L HA -0.099 4.255 4.340 0.023 0.000 0.247 310 L C 2.048 178.749 176.870 -0.282 0.000 1.162 310 L CA 1.129 55.644 54.840 -0.540 0.000 0.881 310 L CB -1.316 40.592 42.059 -0.251 0.000 1.032 310 L HN 0.221 nan 8.230 nan 0.000 0.446 311 K N 0.875 121.148 120.400 -0.212 0.000 2.015 311 K HA -0.037 4.298 4.320 0.023 0.000 0.215 311 K C 0.544 177.112 176.600 -0.053 0.000 1.027 311 K CA 0.337 56.568 56.287 -0.094 0.000 0.960 311 K CB -0.025 32.434 32.500 -0.068 0.000 0.798 311 K HN 0.394 nan 8.250 nan 0.000 0.447 312 E N 2.853 123.030 120.200 -0.037 0.000 2.406 312 E HA 0.051 4.415 4.350 0.023 0.000 0.247 312 E C -2.382 174.270 176.600 0.087 0.000 1.160 312 E CA -1.441 54.968 56.400 0.014 0.000 0.950 312 E CB 0.142 29.853 29.700 0.018 0.000 0.993 312 E HN 0.062 nan 8.360 nan 0.000 0.472 313 P HA -0.093 nan 4.420 nan 0.000 0.276 313 P C -0.768 176.514 177.300 -0.030 0.000 1.264 313 P CA -0.294 62.872 63.100 0.109 0.000 0.815 313 P CB 0.446 32.138 31.700 -0.014 0.000 1.121 314 V N 0.384 120.238 119.914 -0.100 0.000 2.448 314 V HA 0.275 4.409 4.120 0.023 0.000 0.295 314 V C -0.068 175.862 176.094 -0.274 0.000 1.025 314 V CA -0.575 61.642 62.300 -0.138 0.000 0.859 314 V CB 0.972 32.786 31.823 -0.014 0.000 0.988 314 V HN 0.487 nan 8.190 nan 0.000 0.431 315 H N 2.412 121.383 119.070 -0.166 0.000 2.472 315 H HA 0.824 5.394 4.556 0.023 0.000 0.335 315 H C 0.342 175.183 175.328 -0.812 0.000 1.136 315 H CA 0.074 55.875 56.048 -0.411 0.000 1.264 315 H CB 2.264 31.862 29.762 -0.274 0.000 1.486 315 H HN 0.914 nan 8.280 nan 0.000 0.517 316 G N 0.241 108.253 108.800 -1.314 0.000 2.682 316 G HA2 0.465 4.439 3.960 0.023 0.000 0.290 316 G HA3 0.465 4.439 3.960 0.023 0.000 0.290 316 G C -1.421 172.663 174.900 -1.361 0.000 1.425 316 G CA -0.340 43.679 45.100 -1.801 0.000 0.807 316 G HN 0.548 nan 8.290 nan 0.000 0.482 317 V N -1.099 118.429 119.914 -0.643 0.000 3.164 317 V HA 0.839 4.973 4.120 0.023 0.000 0.313 317 V C -1.016 175.091 176.094 0.021 0.000 1.188 317 V CA -0.928 61.193 62.300 -0.299 0.000 1.058 317 V CB 1.931 33.721 31.823 -0.054 0.000 1.110 317 V HN 0.680 nan 8.190 nan 0.000 0.453 318 Y N 0.530 121.017 120.300 0.311 0.000 2.518 318 Y HA 0.418 4.983 4.550 0.025 0.000 0.332 318 Y C -0.326 175.772 175.900 0.331 0.000 1.276 318 Y CA -0.235 58.075 58.100 0.351 0.000 1.418 318 Y CB 0.552 39.162 38.460 0.250 0.000 1.527 318 Y HN 0.619 nan 8.280 nan 0.000 0.549 319 Y N 1.529 122.074 120.300 0.409 0.000 2.365 319 Y HA 0.208 4.772 4.550 0.023 0.000 0.340 319 Y C -0.554 175.439 175.900 0.155 0.000 1.016 319 Y CA -0.837 57.410 58.100 0.246 0.000 1.196 319 Y CB 0.535 39.212 38.460 0.362 0.000 1.167 319 Y HN 0.512 nan 8.280 nan 0.000 0.509 320 D N 9.039 129.271 120.400 -0.281 0.000 2.412 320 D HA 0.266 4.920 4.640 0.023 0.000 0.224 320 D C -2.070 173.779 176.300 -0.750 0.000 1.093 320 D CA -2.758 51.014 54.000 -0.381 0.000 0.850 320 D CB 1.880 42.598 40.800 -0.136 0.000 1.046 320 D HN 0.345 nan 8.370 nan 0.000 0.507 321 P HA -0.194 nan 4.420 nan 0.000 0.217 321 P C 1.445 178.582 177.300 -0.271 0.000 1.151 321 P CA 0.985 63.710 63.100 -0.624 0.000 0.849 321 P CB 0.281 31.801 31.700 -0.300 0.000 0.787 322 S N -1.088 114.489 115.700 -0.205 0.000 2.359 322 S HA -0.120 4.364 4.470 0.023 0.000 0.224 322 S C 0.979 175.529 174.600 -0.083 0.000 1.035 322 S CA 1.090 59.225 58.200 -0.108 0.000 1.018 322 S CB -0.653 62.497 63.200 -0.084 0.000 0.876 322 S HN -0.043 nan 8.310 nan 0.000 0.448 323 K N 2.782 123.124 120.400 -0.096 0.000 2.098 323 K HA 0.250 4.584 4.320 0.023 0.000 0.257 323 K C -0.216 176.358 176.600 -0.045 0.000 0.999 323 K CA -0.598 55.654 56.287 -0.058 0.000 0.924 323 K CB 0.199 32.674 32.500 -0.041 0.000 1.028 323 K HN 0.493 nan 8.250 nan 0.000 0.466 324 D N 0.717 121.081 120.400 -0.061 0.000 2.354 324 D HA 0.191 4.845 4.640 0.023 0.000 0.247 324 D C -0.031 176.162 176.300 -0.178 0.000 1.138 324 D CA -0.503 53.443 54.000 -0.091 0.000 0.958 324 D CB 0.755 41.497 40.800 -0.097 0.000 1.144 324 D HN 0.243 nan 8.370 nan 0.000 0.458 325 L N 0.468 121.532 121.223 -0.264 0.000 2.275 325 L HA 0.299 4.653 4.340 0.023 0.000 0.288 325 L C -0.415 176.156 176.870 -0.499 0.000 1.046 325 L CA -0.803 53.767 54.840 -0.450 0.000 0.805 325 L CB 0.959 42.663 42.059 -0.592 0.000 1.193 325 L HN 0.213 nan 8.230 nan 0.000 0.426 326 I N 3.326 123.511 120.570 -0.642 0.000 2.406 326 I HA 0.529 4.714 4.170 0.023 0.000 0.290 326 I C 0.089 175.798 176.117 -0.680 0.000 0.999 326 I CA -0.478 60.400 61.300 -0.703 0.000 1.124 326 I CB 1.709 39.146 38.000 -0.937 0.000 1.289 326 I HN 0.543 nan 8.210 nan 0.000 0.441 327 A N 5.855 128.348 122.820 -0.545 0.000 2.343 327 A HA 0.701 5.035 4.320 0.023 0.000 0.316 327 A C -0.489 177.038 177.584 -0.095 0.000 1.104 327 A CA -0.550 51.286 52.037 -0.334 0.000 0.768 327 A CB 1.640 20.317 19.000 -0.538 0.000 1.213 327 A HN 0.767 nan 8.150 nan 0.000 0.456 328 E N 2.327 122.578 120.200 0.085 0.000 2.288 328 E HA 0.735 5.099 4.350 0.023 0.000 0.268 328 E C -1.500 175.208 176.600 0.181 0.000 0.885 328 E CA -0.545 55.943 56.400 0.146 0.000 0.767 328 E CB 1.473 31.270 29.700 0.161 0.000 1.220 328 E HN 0.627 nan 8.360 nan 0.000 0.427 329 I N 2.560 123.234 120.570 0.174 0.000 2.828 329 I HA 0.330 4.514 4.170 0.023 0.000 0.302 329 I C -0.755 175.480 176.117 0.197 0.000 1.101 329 I CA -0.966 60.453 61.300 0.198 0.000 1.031 329 I CB 2.002 40.106 38.000 0.174 0.000 1.231 329 I HN 0.464 nan 8.210 nan 0.000 0.427 330 Q N 3.557 123.492 119.800 0.225 0.000 2.389 330 Q HA 0.445 4.799 4.340 0.023 0.000 0.277 330 Q C -1.338 174.778 176.000 0.193 0.000 1.082 330 Q CA -1.090 54.822 55.803 0.182 0.000 0.810 330 Q CB 2.659 31.448 28.738 0.086 0.000 1.374 330 Q HN 0.488 nan 8.270 nan 0.000 0.422 331 K N 1.538 121.971 120.400 0.055 0.000 2.263 331 K HA 0.141 4.475 4.320 0.023 0.000 0.282 331 K C 0.688 177.156 176.600 -0.219 0.000 1.089 331 K CA 0.028 56.147 56.287 -0.280 0.000 0.907 331 K CB 0.676 32.892 32.500 -0.473 0.000 1.148 331 K HN 0.538 nan 8.250 nan 0.000 0.470 332 Q N 1.779 121.455 119.800 -0.206 0.000 2.500 332 Q HA -0.008 4.346 4.340 0.023 0.000 0.213 332 Q C 0.417 176.323 176.000 -0.156 0.000 0.974 332 Q CA 0.792 56.514 55.803 -0.134 0.000 0.918 332 Q CB 0.416 29.099 28.738 -0.092 0.000 0.980 332 Q HN 0.924 nan 8.270 nan 0.000 0.505 333 G N -0.384 108.266 108.800 -0.249 0.000 2.336 333 G HA2 -0.040 3.934 3.960 0.023 0.000 0.286 333 G HA3 -0.040 3.934 3.960 0.023 0.000 0.286 333 G C -1.770 172.952 174.900 -0.297 0.000 1.269 333 G CA -0.896 44.082 45.100 -0.203 0.000 0.873 333 G HN 0.052 nan 8.290 nan 0.000 0.494 334 Q N 0.383 120.054 119.800 -0.215 0.000 2.296 334 Q HA 0.428 4.782 4.340 0.023 0.000 0.263 334 Q C 1.285 177.147 176.000 -0.230 0.000 1.026 334 Q CA 1.135 56.806 55.803 -0.221 0.000 0.912 334 Q CB 0.311 28.956 28.738 -0.156 0.000 1.198 334 Q HN 2.148 nan 8.270 nan 0.000 0.407 335 G N 3.329 111.947 108.800 -0.302 0.000 2.184 335 G HA2 -0.310 3.664 3.960 0.023 0.000 0.264 335 G HA3 -0.310 3.664 3.960 0.023 0.000 0.264 335 G C -0.289 174.497 174.900 -0.190 0.000 0.975 335 G CA 0.651 45.687 45.100 -0.107 0.000 0.642 335 G HN 0.658 nan 8.290 nan 0.000 0.536 336 Q N -0.915 118.613 119.800 -0.454 0.000 2.322 336 Q HA 0.657 5.012 4.340 0.023 0.000 0.265 336 Q C -0.970 174.737 176.000 -0.488 0.000 0.985 336 Q CA -1.126 54.523 55.803 -0.257 0.000 0.849 336 Q CB 1.312 29.968 28.738 -0.138 0.000 1.274 336 Q HN 0.394 nan 8.270 nan 0.000 0.449 337 W N 1.254 122.593 121.300 0.065 0.000 2.761 337 W HA 0.539 5.213 4.660 0.024 0.000 0.340 337 W C -0.512 176.020 176.519 0.022 0.000 1.072 337 W CA -0.678 56.700 57.345 0.054 0.000 1.215 337 W CB 2.204 31.717 29.460 0.087 0.000 1.420 337 W HN 0.601 nan 8.180 nan 0.000 0.519 338 T N -0.010 114.674 114.554 0.217 0.000 2.824 338 T HA 0.711 5.075 4.350 0.023 0.000 0.282 338 T C -1.222 173.563 174.700 0.141 0.000 0.993 338 T CA -0.700 61.446 62.100 0.077 0.000 0.967 338 T CB 1.062 69.929 68.868 -0.001 0.000 0.960 338 T HN 0.433 nan 8.240 nan 0.000 0.441 339 Y N 0.884 121.158 120.300 -0.044 0.000 2.545 339 Y HA 0.776 5.339 4.550 0.021 0.000 0.348 339 Y C -1.028 174.855 175.900 -0.028 0.000 1.002 339 Y CA -1.263 56.822 58.100 -0.026 0.000 1.039 339 Y CB 1.972 40.400 38.460 -0.054 0.000 1.271 339 Y HN 0.784 nan 8.280 nan 0.000 0.467 340 Q N 3.917 123.830 119.800 0.189 0.000 2.268 340 Q HA 0.499 4.853 4.340 0.023 0.000 0.266 340 Q C -1.884 174.269 176.000 0.255 0.000 1.006 340 Q CA -0.592 55.288 55.803 0.128 0.000 0.824 340 Q CB 2.433 31.196 28.738 0.042 0.000 1.306 340 Q HN 0.952 nan 8.270 nan 0.000 0.424 341 I N 3.679 124.390 120.570 0.235 0.000 2.437 341 I HA 0.656 4.840 4.170 0.023 0.000 0.298 341 I C -0.583 175.610 176.117 0.126 0.000 0.984 341 I CA -0.939 60.402 61.300 0.068 0.000 1.214 341 I CB 0.994 39.014 38.000 0.034 0.000 1.365 341 I HN 0.782 nan 8.210 nan 0.000 0.469 342 Y N 2.451 122.689 120.300 -0.104 0.000 2.818 342 Y HA 0.392 4.955 4.550 0.022 0.000 0.341 342 Y C -0.591 175.252 175.900 -0.094 0.000 1.283 342 Y CA -0.884 57.179 58.100 -0.061 0.000 1.075 342 Y CB 0.845 39.293 38.460 -0.019 0.000 1.370 342 Y HN 0.478 nan 8.280 nan 0.000 0.448 343 Q N -0.551 119.333 119.800 0.140 0.000 2.586 343 Q HA 0.246 4.600 4.340 0.023 0.000 0.243 343 Q C -0.715 175.428 176.000 0.239 0.000 0.846 343 Q CA -0.059 55.770 55.803 0.045 0.000 0.959 343 Q CB 0.997 29.749 28.738 0.023 0.000 1.227 343 Q HN 0.541 nan 8.270 nan 0.000 0.611 344 E N 2.954 123.321 120.200 0.278 0.000 2.156 344 E HA 0.245 4.609 4.350 0.023 0.000 0.279 344 E C -2.483 174.255 176.600 0.230 0.000 0.965 344 E CA -2.323 54.203 56.400 0.211 0.000 0.789 344 E CB 1.190 30.958 29.700 0.113 0.000 1.098 344 E HN 0.080 nan 8.360 nan 0.000 0.397 345 P HA -0.104 nan 4.420 nan 0.000 0.258 345 P C -0.176 177.276 177.300 0.254 0.000 1.172 345 P CA 0.419 63.505 63.100 -0.025 0.000 0.762 345 P CB 0.059 31.876 31.700 0.195 0.000 0.764 346 F N 0.331 120.020 119.950 -0.434 0.000 2.517 346 F HA -0.201 4.338 4.527 0.021 0.000 0.434 346 F C 0.737 176.456 175.800 -0.135 0.000 0.564 346 F CA 1.024 58.881 58.000 -0.239 0.000 1.414 346 F CB -1.961 36.947 39.000 -0.152 0.000 2.009 346 F HN 0.290 nan 8.300 nan 0.000 0.274 347 K N 1.740 122.175 120.400 0.058 0.000 2.363 347 K HA 0.287 4.622 4.320 0.023 0.000 0.240 347 K C -0.110 176.575 176.600 0.141 0.000 1.169 347 K CA -0.155 56.179 56.287 0.079 0.000 1.131 347 K CB -0.110 32.444 32.500 0.091 0.000 1.771 347 K HN 0.054 nan 8.250 nan 0.000 0.380 348 N N 1.743 120.521 118.700 0.130 0.000 2.492 348 N HA 0.041 4.795 4.740 0.023 0.000 0.262 348 N C 0.729 176.471 175.510 0.387 0.000 1.202 348 N CA 0.135 53.329 53.050 0.240 0.000 0.926 348 N CB 0.828 39.433 38.487 0.196 0.000 1.078 348 N HN 0.293 nan 8.380 nan 0.000 0.454 349 L N 0.873 122.323 121.223 0.378 0.000 2.269 349 L HA 0.213 4.567 4.340 0.023 0.000 0.200 349 L C 0.919 178.003 176.870 0.357 0.000 1.069 349 L CA 0.730 55.834 54.840 0.441 0.000 0.804 349 L CB 0.100 42.377 42.059 0.363 0.000 0.987 349 L HN 0.437 nan 8.230 nan 0.000 0.468 350 K N -0.411 120.161 120.400 0.287 0.000 2.532 350 K HA 0.409 4.743 4.320 0.023 0.000 0.265 350 K C -1.232 175.411 176.600 0.072 0.000 0.948 350 K CA -0.419 55.959 56.287 0.152 0.000 0.842 350 K CB 2.406 35.009 32.500 0.172 0.000 1.392 350 K HN 0.008 nan 8.250 nan 0.000 0.436 351 T N -1.237 113.249 114.554 -0.112 0.000 2.883 351 T HA 0.898 5.262 4.350 0.023 0.000 0.296 351 T C -0.238 174.040 174.700 -0.703 0.000 1.117 351 T CA -0.616 61.265 62.100 -0.365 0.000 1.006 351 T CB 2.030 70.774 68.868 -0.206 0.000 1.191 351 T HN 0.745 nan 8.240 nan 0.000 0.508 352 G N 0.156 108.262 108.800 -1.156 0.000 2.495 352 G HA2 0.594 4.568 3.960 0.023 0.000 0.294 352 G HA3 0.594 4.568 3.960 0.023 0.000 0.294 352 G C -2.183 172.244 174.900 -0.789 0.000 1.397 352 G CA -0.932 43.539 45.100 -1.049 0.000 0.790 352 G HN 0.813 nan 8.290 nan 0.000 0.486 353 K N -0.471 119.668 120.400 -0.435 0.000 2.546 353 K HA 0.622 4.956 4.320 0.023 0.000 0.264 353 K C -1.965 174.607 176.600 -0.048 0.000 0.937 353 K CA -0.861 55.312 56.287 -0.190 0.000 0.833 353 K CB 2.162 34.604 32.500 -0.096 0.000 1.378 353 K HN 0.633 nan 8.250 nan 0.000 0.432 354 Y N 0.205 120.619 120.300 0.191 0.000 2.477 354 Y HA 0.586 5.151 4.550 0.024 0.000 0.347 354 Y C 0.025 176.031 175.900 0.175 0.000 0.981 354 Y CA -1.187 57.018 58.100 0.175 0.000 1.033 354 Y CB 2.695 41.274 38.460 0.198 0.000 1.245 354 Y HN 0.710 nan 8.280 nan 0.000 0.455 355 A N 2.871 125.853 122.820 0.270 0.000 2.676 355 A HA 0.259 4.594 4.320 0.023 0.000 0.258 355 A C -0.123 177.531 177.584 0.118 0.000 0.898 355 A CA -0.520 51.611 52.037 0.157 0.000 1.087 355 A CB 0.133 19.183 19.000 0.083 0.000 1.214 355 A HN 0.798 nan 8.150 nan 0.000 0.474 356 R N 0.074 120.661 120.500 0.145 0.000 2.697 356 R HA 0.240 4.594 4.340 0.023 0.000 0.265 356 R C 0.471 176.813 176.300 0.071 0.000 1.009 356 R CA 0.377 56.533 56.100 0.093 0.000 1.099 356 R CB 0.312 30.661 30.300 0.082 0.000 0.965 356 R HN 0.631 nan 8.270 nan 0.000 0.428 357 M N 2.048 121.676 119.600 0.047 0.000 2.237 357 M HA 0.377 4.871 4.480 0.023 0.000 0.209 357 M C -0.176 176.148 176.300 0.041 0.000 1.058 357 M CA 0.363 55.683 55.300 0.034 0.000 1.376 357 M CB 0.664 33.279 32.600 0.025 0.000 1.151 357 M HN 0.680 nan 8.290 nan 0.000 0.711 358 R N -1.827 118.695 120.500 0.037 0.000 3.034 358 R HA 0.667 5.022 4.340 0.023 0.000 0.264 358 R C -0.738 175.597 176.300 0.058 0.000 1.030 358 R CA -0.904 55.227 56.100 0.051 0.000 0.903 358 R CB 0.092 30.423 30.300 0.050 0.000 1.414 358 R HN 0.699 nan 8.270 nan 0.000 0.429 359 G N -0.704 108.146 108.800 0.082 0.000 2.990 359 G HA2 0.486 4.460 3.960 0.023 0.000 0.208 359 G HA3 0.486 4.460 3.960 0.023 0.000 0.208 359 G C 0.097 175.060 174.900 0.105 0.000 1.334 359 G CA -0.487 44.668 45.100 0.091 0.000 1.024 359 G HN 0.612 nan 8.290 nan 0.000 0.574 360 A N -0.572 122.323 122.820 0.126 0.000 2.292 360 A HA 0.220 4.554 4.320 0.023 0.000 0.205 360 A C 0.778 178.476 177.584 0.190 0.000 1.243 360 A CA 1.457 53.576 52.037 0.136 0.000 0.783 360 A CB -1.074 18.021 19.000 0.159 0.000 0.760 360 A HN 0.996 nan 8.150 nan 0.000 0.498 361 H N -1.989 117.120 119.070 0.066 0.000 3.120 361 H HA 0.379 4.950 4.556 0.025 0.000 0.314 361 H C -1.617 173.785 175.328 0.124 0.000 1.151 361 H CA 0.506 56.606 56.048 0.087 0.000 1.404 361 H CB 0.456 30.272 29.762 0.089 0.000 2.031 361 H HN 0.077 nan 8.280 nan 0.000 0.513 362 T N 3.509 117.694 114.554 -0.616 0.000 2.770 362 T HA 0.319 4.683 4.350 0.023 0.000 0.323 362 T C -1.353 173.159 174.700 -0.314 0.000 1.683 362 T CA -0.902 60.954 62.100 -0.407 0.000 1.024 362 T CB 1.479 70.294 68.868 -0.089 0.000 1.557 362 T HN 0.873 nan 8.240 nan 0.000 0.494 363 N N -0.921 117.689 118.700 -0.150 0.000 2.367 363 N HA 0.436 5.190 4.740 0.023 0.000 0.278 363 N C -0.185 175.300 175.510 -0.043 0.000 1.117 363 N CA -0.734 52.269 53.050 -0.079 0.000 0.867 363 N CB 1.055 39.511 38.487 -0.052 0.000 1.649 363 N HN 0.333 nan 8.380 nan 0.000 0.479 364 D N 0.626 121.064 120.400 0.063 0.000 2.154 364 D HA -0.183 4.471 4.640 0.023 0.000 0.190 364 D C 1.650 177.957 176.300 0.012 0.000 1.003 364 D CA 1.554 55.671 54.000 0.196 0.000 0.849 364 D CB -0.201 40.772 40.800 0.288 0.000 0.942 364 D HN 0.402 nan 8.370 nan 0.000 0.446 365 V N 0.808 120.570 119.914 -0.253 0.000 2.282 365 V HA -0.285 3.849 4.120 0.023 0.000 0.249 365 V C 2.460 178.148 176.094 -0.677 0.000 1.057 365 V CA 2.088 64.041 62.300 -0.578 0.000 1.032 365 V CB -0.473 30.668 31.823 -1.136 0.000 0.645 365 V HN 0.256 nan 8.190 nan 0.000 0.447 366 K N -0.693 119.314 120.400 -0.655 0.000 2.097 366 K HA -0.195 4.139 4.320 0.023 0.000 0.205 366 K C 2.257 178.688 176.600 -0.282 0.000 1.050 366 K CA 1.451 57.482 56.287 -0.428 0.000 0.938 366 K CB -0.126 32.267 32.500 -0.178 0.000 0.718 366 K HN 0.501 nan 8.250 nan 0.000 0.442 367 Q N 0.696 120.381 119.800 -0.193 0.000 2.084 367 Q HA -0.169 4.185 4.340 0.023 0.000 0.202 367 Q C 2.174 177.820 176.000 -0.591 0.000 0.978 367 Q CA 1.170 56.881 55.803 -0.152 0.000 0.844 367 Q CB -0.157 28.719 28.738 0.230 0.000 0.898 367 Q HN 0.395 nan 8.270 nan 0.000 0.426 368 L N 0.833 121.579 121.223 -0.796 0.000 2.012 368 L HA -0.211 4.143 4.340 0.023 0.000 0.210 368 L C 1.956 178.335 176.870 -0.819 0.000 1.073 368 L CA 1.988 56.102 54.840 -1.210 0.000 0.748 368 L CB -1.071 40.508 42.059 -0.799 0.000 0.891 368 L HN 0.249 nan 8.230 nan 0.000 0.431 369 T N 0.479 114.675 114.554 -0.597 0.000 2.653 369 T HA -0.238 4.126 4.350 0.023 0.000 0.268 369 T C 1.672 176.117 174.700 -0.426 0.000 1.035 369 T CA 2.055 63.866 62.100 -0.483 0.000 1.154 369 T CB -0.201 68.510 68.868 -0.262 0.000 0.862 369 T HN 0.517 nan 8.240 nan 0.000 0.441 370 E N 0.860 120.843 120.200 -0.363 0.000 2.150 370 E HA -0.044 4.320 4.350 0.023 0.000 0.193 370 E C 2.589 178.990 176.600 -0.332 0.000 0.985 370 E CA 0.888 57.115 56.400 -0.287 0.000 0.814 370 E CB -0.221 29.354 29.700 -0.209 0.000 0.752 370 E HN 0.509 nan 8.360 nan 0.000 0.466 371 A N 1.377 123.934 122.820 -0.438 0.000 1.858 371 A HA -0.153 4.181 4.320 0.023 0.000 0.216 371 A C 2.586 179.998 177.584 -0.286 0.000 1.190 371 A CA 1.299 53.154 52.037 -0.302 0.000 0.617 371 A CB -0.875 17.837 19.000 -0.482 0.000 0.827 371 A HN 0.108 nan 8.150 nan 0.000 0.443 372 V N 1.122 120.752 119.914 -0.472 0.000 2.278 372 V HA -0.392 3.742 4.120 0.023 0.000 0.251 372 V C 2.913 178.749 176.094 -0.429 0.000 1.062 372 V CA 2.722 64.655 62.300 -0.612 0.000 1.038 372 V CB -1.122 30.138 31.823 -0.938 0.000 0.646 372 V HN 0.919 nan 8.190 nan 0.000 0.447 373 Q N 1.171 120.760 119.800 -0.352 0.000 2.096 373 Q HA -0.243 4.111 4.340 0.023 0.000 0.204 373 Q C 1.946 177.854 176.000 -0.154 0.000 0.982 373 Q CA 2.188 57.857 55.803 -0.224 0.000 0.850 373 Q CB -0.572 28.058 28.738 -0.180 0.000 0.901 373 Q HN 0.604 nan 8.270 nan 0.000 0.422 374 K N 0.505 120.800 120.400 -0.175 0.000 1.991 374 K HA -0.095 4.239 4.320 0.023 0.000 0.212 374 K C 2.264 178.824 176.600 -0.066 0.000 1.049 374 K CA 1.824 58.021 56.287 -0.149 0.000 0.932 374 K CB -0.462 31.868 32.500 -0.283 0.000 0.717 374 K HN 0.245 nan 8.250 nan 0.000 0.441 375 I N 1.505 122.042 120.570 -0.054 0.000 2.145 375 I HA -0.353 3.831 4.170 0.023 0.000 0.244 375 I C 2.286 178.425 176.117 0.037 0.000 1.075 375 I CA 1.545 62.797 61.300 -0.080 0.000 1.332 375 I CB -0.860 37.099 38.000 -0.069 0.000 1.033 375 I HN 0.306 nan 8.210 nan 0.000 0.410 376 T N 0.442 115.054 114.554 0.097 0.000 2.555 376 T HA -0.234 4.130 4.350 0.023 0.000 0.264 376 T C 1.940 176.669 174.700 0.049 0.000 1.083 376 T CA 2.693 64.866 62.100 0.122 0.000 1.179 376 T CB -0.872 68.042 68.868 0.077 0.000 0.863 376 T HN 0.565 nan 8.240 nan 0.000 0.412 377 T N 1.038 115.595 114.554 0.005 0.000 2.699 377 T HA -0.205 4.159 4.350 0.023 0.000 0.268 377 T C 1.794 176.472 174.700 -0.037 0.000 1.036 377 T CA 1.730 63.822 62.100 -0.014 0.000 1.147 377 T CB -0.552 68.297 68.868 -0.033 0.000 0.862 377 T HN 0.504 nan 8.240 nan 0.000 0.446 378 E N 1.049 121.220 120.200 -0.049 0.000 2.058 378 E HA -0.160 4.205 4.350 0.023 0.000 0.194 378 E C 2.474 178.986 176.600 -0.145 0.000 0.997 378 E CA 1.476 57.817 56.400 -0.098 0.000 0.801 378 E CB -0.183 29.470 29.700 -0.078 0.000 0.746 378 E HN 0.592 nan 8.360 nan 0.000 0.450 379 S N 0.506 116.191 115.700 -0.025 0.000 2.356 379 S HA -0.183 4.301 4.470 0.023 0.000 0.223 379 S C 1.921 176.553 174.600 0.054 0.000 1.032 379 S CA 1.130 59.405 58.200 0.125 0.000 1.005 379 S CB -0.278 63.096 63.200 0.291 0.000 0.867 379 S HN 0.204 nan 8.310 nan 0.000 0.449 380 I N 1.425 122.017 120.570 0.037 0.000 2.399 380 I HA -0.150 4.035 4.170 0.023 0.000 0.254 380 I C 2.041 178.136 176.117 -0.037 0.000 1.146 380 I CA 0.901 62.215 61.300 0.024 0.000 1.412 380 I CB -0.505 37.510 38.000 0.025 0.000 1.076 380 I HN 0.120 nan 8.210 nan 0.000 0.432 381 V N -0.105 119.744 119.914 -0.108 0.000 2.446 381 V HA -0.131 4.003 4.120 0.023 0.000 0.244 381 V C 2.157 178.106 176.094 -0.242 0.000 1.039 381 V CA 1.456 63.673 62.300 -0.139 0.000 1.045 381 V CB -0.252 31.485 31.823 -0.144 0.000 0.681 381 V HN 0.309 nan 8.190 nan 0.000 0.459 382 I N -1.537 118.752 120.570 -0.467 0.000 2.500 382 I HA -0.111 4.073 4.170 0.023 0.000 0.252 382 I C 1.775 177.367 176.117 -0.875 0.000 1.142 382 I CA 1.322 62.108 61.300 -0.857 0.000 1.451 382 I CB -0.055 37.006 38.000 -1.565 0.000 1.093 382 I HN 0.418 nan 8.210 nan 0.000 0.430 383 W N -0.114 121.080 121.300 -0.176 0.000 2.324 383 W HA 0.367 5.041 4.660 0.023 0.000 0.316 383 W C 1.373 177.824 176.519 -0.113 0.000 0.927 383 W CA 0.384 57.579 57.345 -0.250 0.000 1.438 383 W CB -0.318 28.821 29.460 -0.536 0.000 1.085 383 W HN 0.217 nan 8.180 nan 0.000 0.532 384 G N 2.417 111.278 108.800 0.102 0.000 2.233 384 G HA2 -0.326 3.648 3.960 0.023 0.000 0.270 384 G HA3 -0.326 3.648 3.960 0.023 0.000 0.270 384 G C 0.148 175.110 174.900 0.103 0.000 1.011 384 G CA 0.983 46.136 45.100 0.089 0.000 0.762 384 G HN 0.253 nan 8.290 nan 0.000 0.511 385 K N -0.898 119.574 120.400 0.121 0.000 2.512 385 K HA 0.662 4.996 4.320 0.023 0.000 0.263 385 K C -0.305 176.337 176.600 0.069 0.000 0.966 385 K CA -0.273 56.063 56.287 0.080 0.000 0.851 385 K CB 1.946 34.476 32.500 0.050 0.000 1.395 385 K HN 0.284 nan 8.250 nan 0.000 0.440 386 T N -0.235 114.338 114.554 0.032 0.000 2.797 386 T HA 0.506 4.870 4.350 0.023 0.000 0.279 386 T C -2.407 172.221 174.700 -0.121 0.000 0.991 386 T CA -1.908 60.201 62.100 0.015 0.000 0.979 386 T CB 1.301 70.227 68.868 0.096 0.000 0.943 386 T HN 0.278 nan 8.240 nan 0.000 0.444 387 P HA 0.295 nan 4.420 nan 0.000 0.274 387 P C -0.807 176.128 177.300 -0.608 0.000 1.246 387 P CA -0.630 62.150 63.100 -0.532 0.000 0.795 387 P CB 0.645 31.908 31.700 -0.729 0.000 1.006 388 K N 1.325 121.449 120.400 -0.460 0.000 2.218 388 K HA 0.380 4.714 4.320 0.023 0.000 0.276 388 K C -0.101 176.261 176.600 -0.397 0.000 1.022 388 K CA -0.160 55.966 56.287 -0.269 0.000 0.946 388 K CB 0.077 32.473 32.500 -0.172 0.000 1.000 388 K HN 0.374 nan 8.250 nan 0.000 0.468 389 F N 1.263 121.176 119.950 -0.062 0.000 2.450 389 F HA 0.294 4.833 4.527 0.021 0.000 0.332 389 F C 0.805 176.637 175.800 0.054 0.000 1.093 389 F CA -0.710 57.270 58.000 -0.033 0.000 1.003 389 F CB 1.340 40.300 39.000 -0.067 0.000 1.151 389 F HN 0.016 nan 8.300 nan 0.000 0.474 390 K N 4.921 125.455 120.400 0.222 0.000 2.464 390 K HA 0.461 4.795 4.320 0.023 0.000 0.252 390 K C -1.159 175.576 176.600 0.224 0.000 1.000 390 K CA -0.194 56.212 56.287 0.198 0.000 0.951 390 K CB 1.187 33.755 32.500 0.114 0.000 1.183 390 K HN 0.581 nan 8.250 nan 0.000 0.445 391 L N 4.479 125.884 121.223 0.304 0.000 2.307 391 L HA 0.398 4.752 4.340 0.023 0.000 0.284 391 L C -1.697 175.352 176.870 0.299 0.000 1.023 391 L CA -2.049 52.899 54.840 0.179 0.000 0.810 391 L CB 1.819 43.797 42.059 -0.135 0.000 1.231 391 L HN 0.200 nan 8.230 nan 0.000 0.423 392 P HA 0.095 nan 4.420 nan 0.000 0.238 392 P C -0.490 177.009 177.300 0.331 0.000 1.714 392 P CA 0.611 63.910 63.100 0.332 0.000 0.908 392 P CB 0.131 31.964 31.700 0.223 0.000 1.893 393 I N -0.324 120.451 120.570 0.342 0.000 2.656 393 I HA 0.297 4.481 4.170 0.023 0.000 0.292 393 I C -0.781 175.209 176.117 -0.211 0.000 1.144 393 I CA -1.266 60.040 61.300 0.010 0.000 1.038 393 I CB 2.998 40.911 38.000 -0.144 0.000 1.244 393 I HN -0.218 nan 8.210 nan 0.000 0.420 394 Q N 5.051 124.555 119.800 -0.494 0.000 2.304 394 Q HA 0.163 4.517 4.340 0.023 0.000 0.260 394 Q C 0.787 176.810 176.000 0.038 0.000 0.965 394 Q CA -0.148 55.289 55.803 -0.609 0.000 0.898 394 Q CB 1.249 29.683 28.738 -0.508 0.000 1.196 394 Q HN 0.432 nan 8.270 nan 0.000 0.402 395 K N 2.563 123.068 120.400 0.175 0.000 2.127 395 K HA -0.246 4.088 4.320 0.023 0.000 0.208 395 K C 1.206 178.005 176.600 0.333 0.000 1.047 395 K CA 1.808 58.324 56.287 0.381 0.000 0.927 395 K CB 0.191 32.767 32.500 0.126 0.000 0.716 395 K HN 0.607 nan 8.250 nan 0.000 0.450 396 E N -0.372 119.917 120.200 0.148 0.000 2.072 396 E HA -0.093 4.271 4.350 0.023 0.000 0.191 396 E C 2.100 178.765 176.600 0.109 0.000 0.985 396 E CA 1.468 57.929 56.400 0.102 0.000 0.801 396 E CB -0.563 29.156 29.700 0.032 0.000 0.750 396 E HN 0.231 nan 8.360 nan 0.000 0.452 397 T N 0.892 115.500 114.554 0.090 0.000 2.622 397 T HA -0.217 4.147 4.350 0.023 0.000 0.266 397 T C 1.333 176.143 174.700 0.183 0.000 1.047 397 T CA 1.436 63.583 62.100 0.078 0.000 1.159 397 T CB -0.575 68.298 68.868 0.009 0.000 0.863 397 T HN 0.415 nan 8.240 nan 0.000 0.422 398 W N 2.024 123.406 121.300 0.137 0.000 2.315 398 W HA -0.251 4.420 4.660 0.019 0.000 0.323 398 W C 2.244 179.022 176.519 0.432 0.000 1.233 398 W CA 1.959 59.463 57.345 0.265 0.000 1.267 398 W CB -0.464 29.177 29.460 0.302 0.000 1.160 398 W HN 0.270 nan 8.180 nan 0.000 0.474 399 E N 0.232 120.604 120.200 0.288 0.000 2.035 399 E HA -0.304 4.060 4.350 0.023 0.000 0.204 399 E C 2.301 178.714 176.600 -0.312 0.000 1.025 399 E CA 3.568 59.992 56.400 0.040 0.000 0.835 399 E CB -0.885 28.903 29.700 0.147 0.000 0.764 399 E HN 0.308 nan 8.360 nan 0.000 0.457 400 T N -2.457 112.013 114.554 -0.140 0.000 2.929 400 T HA -0.170 4.195 4.350 0.023 0.000 0.271 400 T C 1.696 176.282 174.700 -0.190 0.000 1.085 400 T CA 1.179 63.176 62.100 -0.172 0.000 1.125 400 T CB -0.538 68.292 68.868 -0.064 0.000 0.874 400 T HN 0.418 nan 8.240 nan 0.000 0.494 401 W N 1.792 122.892 121.300 -0.335 0.000 2.484 401 W HA 0.117 4.795 4.660 0.029 0.000 0.320 401 W C 2.416 178.705 176.519 -0.384 0.000 1.159 401 W CA 1.155 58.310 57.345 -0.317 0.000 1.352 401 W CB -0.766 28.507 29.460 -0.312 0.000 1.185 401 W HN 0.347 nan 8.180 nan 0.000 0.470 402 W N 1.943 122.804 121.300 -0.733 0.000 2.325 402 W HA -0.267 4.405 4.660 0.021 0.000 0.299 402 W C 1.696 177.875 176.519 -0.566 0.000 1.215 402 W CA 2.576 59.355 57.345 -0.944 0.000 1.244 402 W CB -1.852 27.061 29.460 -0.913 0.000 1.140 402 W HN 0.135 nan 8.180 nan 0.000 0.523 403 T N -1.464 112.214 114.554 -1.461 0.000 2.977 403 T HA -0.226 4.138 4.350 0.023 0.000 0.271 403 T C 1.585 175.916 174.700 -0.615 0.000 1.105 403 T CA 1.780 63.069 62.100 -1.351 0.000 1.116 403 T CB -0.385 67.738 68.868 -1.242 0.000 0.878 403 T HN 0.494 nan 8.240 nan 0.000 0.509 404 E N -0.952 118.931 120.200 -0.529 0.000 2.372 404 E HA 0.131 4.496 4.350 0.023 0.000 0.201 404 E C -0.165 176.251 176.600 -0.307 0.000 0.938 404 E CA -0.587 55.604 56.400 -0.349 0.000 0.944 404 E CB 0.224 29.750 29.700 -0.291 0.000 0.937 404 E HN 0.561 nan 8.360 nan 0.000 0.495 405 Y N 1.634 121.540 120.300 -0.657 0.000 2.683 405 Y HA -0.189 4.376 4.550 0.025 0.000 0.340 405 Y C 1.242 176.913 175.900 -0.380 0.000 1.245 405 Y CA 0.289 58.004 58.100 -0.641 0.000 1.485 405 Y CB 0.409 38.175 38.460 -1.156 0.000 1.328 405 Y HN 0.194 nan 8.280 nan 0.000 0.603 406 W N 3.896 124.787 121.300 -0.682 0.000 2.467 406 W HA -0.015 4.659 4.660 0.023 0.000 0.275 406 W C -0.180 176.172 176.519 -0.279 0.000 1.239 406 W CA 0.483 57.562 57.345 -0.444 0.000 1.266 406 W CB -0.426 28.748 29.460 -0.476 0.000 1.112 406 W HN 0.554 nan 8.180 nan 0.000 0.576 407 Q N 1.419 120.231 119.800 -1.646 0.000 2.214 407 Q HA 0.516 4.870 4.340 0.023 0.000 0.251 407 Q C -0.320 175.469 176.000 -0.350 0.000 0.936 407 Q CA -0.434 54.635 55.803 -1.225 0.000 0.894 407 Q CB 1.771 29.588 28.738 -1.535 0.000 1.252 407 Q HN 0.047 nan 8.270 nan 0.000 0.448 408 A N 2.484 125.173 122.820 -0.218 0.000 2.451 408 A HA 0.368 4.703 4.320 0.023 0.000 0.266 408 A C -0.203 177.381 177.584 -0.001 0.000 1.119 408 A CA 0.217 52.217 52.037 -0.062 0.000 0.786 408 A CB 0.566 19.539 19.000 -0.045 0.000 1.061 408 A HN 0.642 nan 8.150 nan 0.000 0.503 409 T N 1.720 116.316 114.554 0.069 0.000 2.896 409 T HA 0.642 5.006 4.350 0.023 0.000 0.297 409 T C -1.640 173.215 174.700 0.259 0.000 1.108 409 T CA -0.323 61.881 62.100 0.172 0.000 1.004 409 T CB 0.868 69.903 68.868 0.278 0.000 1.159 409 T HN 0.989 nan 8.240 nan 0.000 0.499 410 W N 3.361 124.682 121.300 0.034 0.000 3.059 410 W HA 0.711 5.388 4.660 0.027 0.000 0.329 410 W C -2.567 173.822 176.519 -0.216 0.000 1.246 410 W CA -0.970 56.334 57.345 -0.069 0.000 1.190 410 W CB 0.973 30.354 29.460 -0.132 0.000 1.423 410 W HN 0.644 nan 8.180 nan 0.000 0.571 411 I N 4.873 124.661 120.570 -1.303 0.000 2.548 411 I HA 0.261 4.445 4.170 0.023 0.000 0.287 411 I C -2.096 172.980 176.117 -1.736 0.000 1.103 411 I CA -1.998 58.446 61.300 -1.427 0.000 1.049 411 I CB 2.095 39.252 38.000 -1.404 0.000 1.232 411 I HN 0.063 nan 8.210 nan 0.000 0.429 412 P HA -0.044 nan 4.420 nan 0.000 0.272 412 P C -0.332 176.796 177.300 -0.286 0.000 1.248 412 P CA -0.323 62.225 63.100 -0.919 0.000 0.799 412 P CB 0.423 31.924 31.700 -0.331 0.000 0.997 413 E N 1.324 121.501 120.200 -0.038 0.000 2.868 413 E HA -0.084 4.280 4.350 0.023 0.000 0.246 413 E C -0.704 175.972 176.600 0.128 0.000 0.962 413 E CA 0.181 56.592 56.400 0.018 0.000 0.955 413 E CB -0.035 29.677 29.700 0.021 0.000 0.903 413 E HN 0.325 nan 8.360 nan 0.000 0.524 414 W N 3.802 125.038 121.300 -0.107 0.000 2.992 414 W HA 0.652 5.322 4.660 0.017 0.000 0.342 414 W C -1.299 175.198 176.519 -0.038 0.000 1.176 414 W CA -1.151 56.157 57.345 -0.062 0.000 1.118 414 W CB 0.757 30.091 29.460 -0.209 0.000 1.457 414 W HN 0.527 nan 8.180 nan 0.000 0.573 415 E N 1.629 121.905 120.200 0.126 0.000 2.321 415 E HA 0.314 4.678 4.350 0.023 0.000 0.278 415 E C -1.728 175.047 176.600 0.291 0.000 0.902 415 E CA -0.711 55.637 56.400 -0.086 0.000 0.758 415 E CB 2.532 32.204 29.700 -0.046 0.000 1.213 415 E HN 0.257 nan 8.360 nan 0.000 0.426 416 F N 3.871 123.858 119.950 0.062 0.000 2.586 416 F HA 0.365 4.896 4.527 0.008 0.000 0.344 416 F C -0.919 174.974 175.800 0.154 0.000 1.188 416 F CA 0.081 58.242 58.000 0.268 0.000 1.359 416 F CB 0.918 40.036 39.000 0.198 0.000 1.129 416 F HN 0.188 nan 8.300 nan 0.000 0.609 417 V N 5.925 125.615 119.914 -0.374 0.000 2.653 417 V HA 0.117 4.251 4.120 0.023 0.000 0.298 417 V C -0.163 175.504 176.094 -0.711 0.000 1.097 417 V CA -1.093 60.901 62.300 -0.510 0.000 0.908 417 V CB 1.552 33.318 31.823 -0.095 0.000 1.024 417 V HN 0.774 nan 8.190 nan 0.000 0.435 418 N N 2.726 120.909 118.700 -0.863 0.000 3.105 418 N HA -0.010 4.744 4.740 0.023 0.000 0.309 418 N C 0.535 175.983 175.510 -0.102 0.000 1.291 418 N CA 0.215 53.025 53.050 -0.400 0.000 1.153 418 N CB 0.399 38.725 38.487 -0.268 0.000 1.447 418 N HN 0.688 nan 8.380 nan 0.000 0.555 419 T N 1.119 115.648 114.554 -0.043 0.000 3.629 419 T HA 0.281 4.645 4.350 0.023 0.000 0.317 419 T C -2.380 172.351 174.700 0.050 0.000 1.690 419 T CA -1.856 60.248 62.100 0.005 0.000 1.276 419 T CB 0.059 68.931 68.868 0.006 0.000 1.205 419 T HN 0.128 nan 8.240 nan 0.000 0.824 420 P HA 0.045 nan 4.420 nan 0.000 0.271 420 P C -2.387 174.939 177.300 0.043 0.000 1.197 420 P CA -0.708 62.430 63.100 0.062 0.000 0.777 420 P CB -0.028 31.703 31.700 0.051 0.000 0.827 421 P HA 0.141 nan 4.420 nan 0.000 0.275 421 P C -0.664 176.674 177.300 0.064 0.000 1.227 421 P CA 0.207 63.332 63.100 0.041 0.000 0.781 421 P CB 0.645 32.364 31.700 0.030 0.000 0.906 422 L N 2.428 123.690 121.223 0.064 0.000 2.399 422 L HA 0.340 4.694 4.340 0.023 0.000 0.266 422 L C 0.881 177.771 176.870 0.033 0.000 1.114 422 L CA -1.213 53.682 54.840 0.092 0.000 0.804 422 L CB 1.439 43.568 42.059 0.116 0.000 1.146 422 L HN 0.247 nan 8.230 nan 0.000 0.451 423 V N 0.899 120.850 119.914 0.062 0.000 2.461 423 V HA 0.489 4.623 4.120 0.023 0.000 0.275 423 V C -0.281 175.768 176.094 -0.074 0.000 1.047 423 V CA -0.371 61.957 62.300 0.047 0.000 0.955 423 V CB 0.874 32.787 31.823 0.149 0.000 0.988 423 V HN 0.917 nan 8.190 nan 0.000 0.471 424 K N 4.979 125.264 120.400 -0.193 0.000 2.399 424 K HA 0.744 5.078 4.320 0.023 0.000 0.260 424 K C -1.252 175.163 176.600 -0.309 0.000 1.049 424 K CA -1.159 54.962 56.287 -0.277 0.000 0.890 424 K CB 1.999 34.266 32.500 -0.387 0.000 1.430 424 K HN 0.574 nan 8.250 nan 0.000 0.459 425 L N 2.193 123.273 121.223 -0.240 0.000 2.261 425 L HA 0.261 4.615 4.340 0.023 0.000 0.289 425 L C -0.137 176.638 176.870 -0.158 0.000 1.059 425 L CA -0.662 54.096 54.840 -0.137 0.000 0.816 425 L CB 0.292 42.316 42.059 -0.058 0.000 1.191 425 L HN 0.702 nan 8.230 nan 0.000 0.431 426 W N 3.529 124.789 121.300 -0.067 0.000 2.611 426 W HA -0.040 4.637 4.660 0.028 0.000 0.251 426 W C 0.342 176.981 176.519 0.199 0.000 1.265 426 W CA 0.107 57.488 57.345 0.059 0.000 1.295 426 W CB -0.406 29.126 29.460 0.119 0.000 1.129 426 W HN 0.525 nan 8.180 nan 0.000 0.630 427 Y N -3.818 116.605 120.300 0.205 0.000 2.851 427 Y HA 0.498 5.062 4.550 0.022 0.000 0.359 427 Y C -1.264 174.708 175.900 0.119 0.000 1.231 427 Y CA -2.092 56.092 58.100 0.139 0.000 1.106 427 Y CB 0.433 38.977 38.460 0.140 0.000 1.409 427 Y HN -0.161 nan 8.280 nan 0.000 0.454 428 Q N 2.030 122.031 119.800 0.336 0.000 2.331 428 Q HA 0.464 4.818 4.340 0.023 0.000 0.249 428 Q C -1.718 174.422 176.000 0.234 0.000 0.913 428 Q CA -0.700 55.227 55.803 0.207 0.000 0.874 428 Q CB 2.663 31.463 28.738 0.104 0.000 1.384 428 Q HN 0.728 nan 8.270 nan 0.000 0.427 429 L N 2.218 123.581 121.223 0.234 0.000 2.461 429 L HA 0.105 4.459 4.340 0.023 0.000 0.272 429 L C 0.803 177.761 176.870 0.146 0.000 1.197 429 L CA -0.105 54.833 54.840 0.164 0.000 0.836 429 L CB 0.230 42.352 42.059 0.105 0.000 1.105 429 L HN 0.420 nan 8.230 nan 0.000 0.477 430 E N 2.070 122.383 120.200 0.187 0.000 2.418 430 E HA -0.022 4.342 4.350 0.023 0.000 0.261 430 E C 0.326 177.113 176.600 0.311 0.000 1.070 430 E CA 0.197 56.738 56.400 0.234 0.000 0.931 430 E CB 0.598 30.466 29.700 0.280 0.000 0.954 430 E HN 0.397 nan 8.360 nan 0.000 0.439 431 K N 0.753 121.283 120.400 0.217 0.000 2.379 431 K HA 0.035 4.369 4.320 0.023 0.000 0.194 431 K C 0.076 176.837 176.600 0.268 0.000 1.031 431 K CA 0.380 56.797 56.287 0.217 0.000 1.037 431 K CB 0.460 33.017 32.500 0.095 0.000 0.824 431 K HN 0.336 nan 8.250 nan 0.000 0.516 432 E N -0.704 119.532 120.200 0.061 0.000 2.433 432 E HA 0.272 4.636 4.350 0.023 0.000 0.278 432 E C -2.873 173.120 176.600 -1.011 0.000 0.976 432 E CA -2.447 53.711 56.400 -0.402 0.000 0.793 432 E CB 1.983 31.563 29.700 -0.200 0.000 1.311 432 E HN -0.272 nan 8.360 nan 0.000 0.460 433 P HA 0.087 nan 4.420 nan 0.000 0.267 433 P C -0.653 176.437 177.300 -0.350 0.000 1.200 433 P CA 0.348 62.912 63.100 -0.892 0.000 0.772 433 P CB 0.312 31.716 31.700 -0.493 0.000 0.855 434 I N 2.422 122.898 120.570 -0.158 0.000 2.337 434 I HA 0.074 4.258 4.170 0.023 0.000 0.291 434 I C 0.228 176.322 176.117 -0.037 0.000 1.046 434 I CA -0.701 60.565 61.300 -0.056 0.000 1.324 434 I CB 0.529 38.535 38.000 0.011 0.000 1.409 434 I HN 0.030 nan 8.210 nan 0.000 0.494 435 V N 5.640 125.531 119.914 -0.038 0.000 2.655 435 V HA 0.196 4.330 4.120 0.023 0.000 0.300 435 V C 1.202 177.296 176.094 -0.001 0.000 1.044 435 V CA -0.029 62.258 62.300 -0.021 0.000 1.095 435 V CB 0.583 32.392 31.823 -0.022 0.000 0.952 435 V HN 1.113 nan 8.190 nan 0.000 0.485 436 G N 3.187 111.991 108.800 0.008 0.000 2.367 436 G HA2 0.195 4.169 3.960 0.023 0.000 0.295 436 G HA3 0.195 4.169 3.960 0.023 0.000 0.295 436 G C -0.031 174.886 174.900 0.029 0.000 1.019 436 G CA 0.307 45.418 45.100 0.018 0.000 1.224 436 G HN 1.852 nan 8.290 nan 0.000 0.510 437 A N 0.165 123.011 122.820 0.043 0.000 2.547 437 A HA 0.805 5.139 4.320 0.023 0.000 0.297 437 A C -0.091 177.550 177.584 0.096 0.000 1.056 437 A CA 0.048 52.125 52.037 0.066 0.000 0.688 437 A CB 1.122 20.159 19.000 0.062 0.000 1.282 437 A HN 0.815 nan 8.150 nan 0.000 0.400 438 E N 0.281 120.563 120.200 0.136 0.000 2.436 438 E HA 0.318 4.682 4.350 0.023 0.000 0.262 438 E C -0.586 176.159 176.600 0.243 0.000 1.063 438 E CA 0.572 57.069 56.400 0.163 0.000 0.944 438 E CB 0.459 30.290 29.700 0.218 0.000 0.950 438 E HN 0.487 nan 8.360 nan 0.000 0.444 439 T N 4.400 119.072 114.554 0.198 0.000 2.934 439 T HA 0.311 4.675 4.350 0.023 0.000 0.328 439 T C -1.219 173.678 174.700 0.328 0.000 1.068 439 T CA -0.478 61.782 62.100 0.267 0.000 1.018 439 T CB -0.088 68.919 68.868 0.232 0.000 1.009 439 T HN 0.213 nan 8.240 nan 0.000 0.471 440 F N 2.138 122.135 119.950 0.078 0.000 2.404 440 F HA 0.405 4.947 4.527 0.025 0.000 0.345 440 F C 0.142 175.988 175.800 0.077 0.000 1.110 440 F CA -1.414 56.662 58.000 0.126 0.000 1.130 440 F CB 0.646 39.629 39.000 -0.029 0.000 1.129 440 F HN 0.501 nan 8.300 nan 0.000 0.500 441 Y N 3.036 123.477 120.300 0.236 0.000 2.888 441 Y HA 0.334 4.899 4.550 0.024 0.000 0.341 441 Y C 0.296 176.289 175.900 0.156 0.000 1.241 441 Y CA -1.140 57.044 58.100 0.140 0.000 1.440 441 Y CB -0.003 38.501 38.460 0.074 0.000 1.517 441 Y HN 0.381 nan 8.280 nan 0.000 0.518 442 V N -1.136 118.906 119.914 0.214 0.000 2.963 442 V HA 0.447 4.581 4.120 0.023 0.000 0.306 442 V C -0.168 176.004 176.094 0.130 0.000 1.077 442 V CA -0.123 62.296 62.300 0.198 0.000 1.124 442 V CB 1.679 33.584 31.823 0.136 0.000 0.987 442 V HN 0.488 nan 8.190 nan 0.000 0.487 443 D N 1.201 121.678 120.400 0.128 0.000 2.769 443 D HA 0.667 5.321 4.640 0.023 0.000 0.219 443 D C -0.485 175.870 176.300 0.092 0.000 1.245 443 D CA 0.511 54.564 54.000 0.088 0.000 0.801 443 D CB 1.812 42.657 40.800 0.075 0.000 1.598 443 D HN 1.160 nan 8.370 nan 0.000 0.485 444 G N 0.364 109.213 108.800 0.080 0.000 2.620 444 G HA2 0.870 4.844 3.960 0.023 0.000 0.301 444 G HA3 0.870 4.844 3.960 0.023 0.000 0.301 444 G C -1.492 173.452 174.900 0.075 0.000 1.347 444 G CA -0.349 44.800 45.100 0.082 0.000 0.971 444 G HN 0.667 nan 8.290 nan 0.000 0.488 445 A N -0.210 122.652 122.820 0.070 0.000 2.566 445 A HA 1.001 5.335 4.320 0.023 0.000 0.297 445 A C -0.610 177.006 177.584 0.053 0.000 1.059 445 A CA 0.053 52.130 52.037 0.067 0.000 0.691 445 A CB 1.466 20.514 19.000 0.079 0.000 1.282 445 A HN 2.403 nan 8.150 nan 0.000 0.401 446 A N 1.200 124.047 122.820 0.044 0.000 2.549 446 A HA 0.731 5.065 4.320 0.023 0.000 0.297 446 A C -0.667 176.932 177.584 0.026 0.000 1.061 446 A CA -0.492 51.565 52.037 0.033 0.000 0.690 446 A CB 1.035 20.053 19.000 0.030 0.000 1.287 446 A HN 1.014 nan 8.150 nan 0.000 0.402 447 N N 1.274 119.985 118.700 0.020 0.000 2.399 447 N HA 0.072 4.826 4.740 0.023 0.000 0.259 447 N C 1.157 176.673 175.510 0.009 0.000 1.160 447 N CA -0.820 52.238 53.050 0.014 0.000 0.946 447 N CB 0.447 38.940 38.487 0.010 0.000 1.156 447 N HN 0.584 nan 8.380 nan 0.000 0.489 448 R N 3.108 123.612 120.500 0.007 0.000 2.206 448 R HA -0.288 4.066 4.340 0.023 0.000 0.240 448 R C 1.267 177.567 176.300 -0.000 0.000 1.117 448 R CA 1.996 58.096 56.100 0.001 0.000 0.915 448 R CB -1.016 29.283 30.300 -0.001 0.000 0.888 448 R HN 0.742 nan 8.270 nan 0.000 0.432 449 E N -0.105 120.095 120.200 0.000 0.000 2.033 449 E HA -0.134 4.230 4.350 0.023 0.000 0.199 449 E C 0.898 177.499 176.600 0.002 0.000 1.011 449 E CA 1.387 57.787 56.400 -0.000 0.000 0.815 449 E CB -0.298 29.401 29.700 -0.000 0.000 0.755 449 E HN 0.305 nan 8.360 nan 0.000 0.451 450 T N 1.861 116.417 114.554 0.004 0.000 2.739 450 T HA 0.043 4.408 4.350 0.023 0.000 0.298 450 T C -0.151 174.553 174.700 0.007 0.000 0.929 450 T CA -0.823 61.280 62.100 0.005 0.000 1.014 450 T CB 0.341 69.213 68.868 0.006 0.000 0.914 450 T HN -0.186 nan 8.240 nan 0.000 0.509 451 K N 4.987 125.391 120.400 0.006 0.000 2.062 451 K HA 0.235 4.569 4.320 0.023 0.000 0.251 451 K C -0.373 176.234 176.600 0.012 0.000 1.113 451 K CA -0.064 56.228 56.287 0.008 0.000 1.096 451 K CB -0.893 31.611 32.500 0.007 0.000 1.099 451 K HN 0.651 nan 8.250 nan 0.000 0.350 452 L N -0.599 120.633 121.223 0.015 0.000 2.787 452 L HA 0.560 4.914 4.340 0.023 0.000 0.260 452 L C -0.838 176.044 176.870 0.021 0.000 0.921 452 L CA -0.054 54.797 54.840 0.018 0.000 0.984 452 L CB 1.721 43.789 42.059 0.014 0.000 1.519 452 L HN 0.512 nan 8.230 nan 0.000 0.452 453 G N 2.894 111.710 108.800 0.027 0.000 2.706 453 G HA2 0.714 4.688 3.960 0.023 0.000 0.307 453 G HA3 0.714 4.688 3.960 0.023 0.000 0.307 453 G C -1.856 173.066 174.900 0.035 0.000 1.307 453 G CA -0.757 44.361 45.100 0.031 0.000 0.790 453 G HN 0.588 nan 8.290 nan 0.000 0.503 454 K N -1.254 119.171 120.400 0.041 0.000 2.480 454 K HA 0.812 5.146 4.320 0.023 0.000 0.258 454 K C -1.270 175.365 176.600 0.057 0.000 0.990 454 K CA -0.803 55.511 56.287 0.043 0.000 0.857 454 K CB 2.811 35.331 32.500 0.033 0.000 1.384 454 K HN 1.141 nan 8.250 nan 0.000 0.446 455 A N 0.556 123.416 122.820 0.066 0.000 2.518 455 A HA 0.693 5.027 4.320 0.023 0.000 0.295 455 A C -0.943 176.702 177.584 0.102 0.000 1.052 455 A CA -0.218 51.871 52.037 0.088 0.000 0.824 455 A CB 1.444 20.504 19.000 0.101 0.000 1.325 455 A HN 0.795 nan 8.150 nan 0.000 0.394 456 G N 0.252 109.120 108.800 0.113 0.000 2.870 456 G HA2 0.870 4.844 3.960 0.023 0.000 0.299 456 G HA3 0.870 4.844 3.960 0.023 0.000 0.299 456 G C -1.126 173.913 174.900 0.231 0.000 1.324 456 G CA 0.066 45.239 45.100 0.122 0.000 0.808 456 G HN 1.974 nan 8.290 nan 0.000 0.535 457 Y N -2.635 117.731 120.300 0.110 0.000 2.689 457 Y HA 0.807 5.372 4.550 0.024 0.000 0.333 457 Y C -1.373 174.575 175.900 0.080 0.000 1.190 457 Y CA -1.726 56.466 58.100 0.153 0.000 1.063 457 Y CB 1.973 40.614 38.460 0.302 0.000 1.294 457 Y HN 1.042 nan 8.280 nan 0.000 0.466 458 V N 2.052 122.137 119.914 0.284 0.000 2.697 458 V HA 0.570 4.704 4.120 0.023 0.000 0.296 458 V C -0.780 175.369 176.094 0.092 0.000 1.140 458 V CA 0.404 62.750 62.300 0.077 0.000 0.921 458 V CB 1.305 33.123 31.823 -0.009 0.000 1.036 458 V HN 1.400 nan 8.190 nan 0.000 0.438 459 T N 3.011 117.521 114.554 -0.073 0.000 2.912 459 T HA 0.340 4.704 4.350 0.023 0.000 0.280 459 T C 1.342 176.000 174.700 -0.069 0.000 0.989 459 T CA 0.064 62.082 62.100 -0.137 0.000 0.995 459 T CB 1.298 69.873 68.868 -0.489 0.000 1.077 459 T HN 0.893 nan 8.240 nan 0.000 0.531 460 N N 1.506 120.200 118.700 -0.011 0.000 2.272 460 N HA -0.168 4.587 4.740 0.023 0.000 0.185 460 N C 1.298 176.783 175.510 -0.041 0.000 1.014 460 N CA 0.911 53.952 53.050 -0.016 0.000 0.870 460 N CB -0.480 38.030 38.487 0.039 0.000 0.975 460 N HN 0.663 nan 8.380 nan 0.000 0.433 461 R N 0.141 120.607 120.500 -0.057 0.000 2.346 461 R HA 0.137 4.491 4.340 0.023 0.000 0.225 461 R C 0.894 177.155 176.300 -0.065 0.000 0.987 461 R CA 0.401 56.468 56.100 -0.055 0.000 1.106 461 R CB -0.481 29.786 30.300 -0.055 0.000 1.090 461 R HN 0.415 nan 8.270 nan 0.000 0.502 462 G N 1.776 110.532 108.800 -0.074 0.000 2.200 462 G HA2 -0.405 3.569 3.960 0.023 0.000 0.267 462 G HA3 -0.405 3.569 3.960 0.023 0.000 0.267 462 G C 0.186 175.039 174.900 -0.078 0.000 0.993 462 G CA 0.618 45.673 45.100 -0.074 0.000 0.701 462 G HN 0.453 nan 8.290 nan 0.000 0.524 463 R N 0.103 120.550 120.500 -0.089 0.000 2.539 463 R HA 0.542 4.896 4.340 0.023 0.000 0.275 463 R C 0.201 176.436 176.300 -0.108 0.000 1.077 463 R CA 0.137 56.198 56.100 -0.064 0.000 1.097 463 R CB 0.313 30.595 30.300 -0.029 0.000 1.018 463 R HN 0.478 nan 8.270 nan 0.000 0.483 464 Q N 1.492 121.182 119.800 -0.185 0.000 2.565 464 Q HA 0.462 4.816 4.340 0.023 0.000 0.294 464 Q C -1.651 174.002 176.000 -0.579 0.000 1.005 464 Q CA -1.062 54.498 55.803 -0.404 0.000 0.771 464 Q CB 2.819 31.417 28.738 -0.234 0.000 1.486 464 Q HN 0.588 nan 8.270 nan 0.000 0.422 465 K N -0.056 119.907 120.400 -0.728 0.000 2.653 465 K HA 0.569 4.903 4.320 0.023 0.000 0.274 465 K C -2.228 174.189 176.600 -0.306 0.000 0.974 465 K CA -0.478 55.510 56.287 -0.498 0.000 0.868 465 K CB 1.758 33.955 32.500 -0.506 0.000 1.408 465 K HN 0.401 nan 8.250 nan 0.000 0.397 466 V N 2.426 122.265 119.914 -0.126 0.000 2.882 466 V HA 0.380 4.514 4.120 0.023 0.000 0.295 466 V C -1.208 174.882 176.094 -0.007 0.000 1.273 466 V CA -0.863 61.411 62.300 -0.044 0.000 0.949 466 V CB 1.995 33.792 31.823 -0.043 0.000 1.071 466 V HN 0.561 nan 8.190 nan 0.000 0.432 467 V N 2.317 122.245 119.914 0.024 0.000 2.769 467 V HA 0.605 4.739 4.120 0.023 0.000 0.312 467 V C 0.184 176.298 176.094 0.032 0.000 1.061 467 V CA -0.593 61.725 62.300 0.030 0.000 0.931 467 V CB 2.488 34.339 31.823 0.047 0.000 1.010 467 V HN 0.911 nan 8.190 nan 0.000 0.433 468 T N 5.234 119.804 114.554 0.026 0.000 2.856 468 T HA 0.595 4.959 4.350 0.023 0.000 0.292 468 T C -0.336 174.383 174.700 0.032 0.000 0.980 468 T CA -0.181 61.934 62.100 0.026 0.000 1.091 468 T CB 0.512 69.391 68.868 0.018 0.000 0.936 468 T HN 0.374 nan 8.240 nan 0.000 0.503 469 L N 3.382 124.625 121.223 0.033 0.000 2.345 469 L HA 0.315 4.669 4.340 0.023 0.000 0.274 469 L C 0.197 177.084 176.870 0.028 0.000 0.999 469 L CA -0.731 54.130 54.840 0.035 0.000 0.849 469 L CB 1.350 43.435 42.059 0.044 0.000 1.220 469 L HN 0.643 nan 8.230 nan 0.000 0.422 470 T N 1.802 116.370 114.554 0.025 0.000 2.737 470 T HA 0.148 4.512 4.350 0.023 0.000 0.296 470 T C -0.255 174.456 174.700 0.019 0.000 0.922 470 T CA 0.109 62.220 62.100 0.019 0.000 1.079 470 T CB 0.259 69.137 68.868 0.017 0.000 0.892 470 T HN 0.609 nan 8.240 nan 0.000 0.514 471 D N 1.696 122.106 120.400 0.016 0.000 4.288 471 D HA -0.148 4.506 4.640 0.023 0.000 0.248 471 D C -0.291 176.019 176.300 0.016 0.000 1.054 471 D CA 1.231 55.239 54.000 0.014 0.000 1.179 471 D CB -0.813 39.994 40.800 0.012 0.000 0.859 471 D HN 0.680 nan 8.370 nan 0.000 0.402 472 T N 0.516 115.079 114.554 0.015 0.000 2.693 472 T HA 0.784 5.149 4.350 0.023 0.000 0.304 472 T C -0.299 174.408 174.700 0.011 0.000 1.471 472 T CA 0.374 62.484 62.100 0.016 0.000 0.993 472 T CB 1.282 70.166 68.868 0.026 0.000 1.554 472 T HN 0.608 nan 8.240 nan 0.000 0.496 473 T N -0.459 114.100 114.554 0.008 0.000 2.718 473 T HA 0.439 4.803 4.350 0.023 0.000 0.267 473 T C 1.269 175.971 174.700 0.004 0.000 0.957 473 T CA 0.150 62.248 62.100 -0.003 0.000 1.025 473 T CB 0.868 69.722 68.868 -0.023 0.000 1.355 473 T HN 0.785 nan 8.240 nan 0.000 0.572 474 N N 0.316 119.010 118.700 -0.010 0.000 2.124 474 N HA -0.124 4.630 4.740 0.023 0.000 0.188 474 N C 1.923 177.441 175.510 0.013 0.000 1.045 474 N CA 0.887 53.940 53.050 0.005 0.000 0.846 474 N CB -0.533 37.951 38.487 -0.004 0.000 1.020 474 N HN 0.679 nan 8.380 nan 0.000 0.432 475 Q N 0.199 119.976 119.800 -0.038 0.000 2.135 475 Q HA -0.092 4.262 4.340 0.023 0.000 0.204 475 Q C 1.890 177.943 176.000 0.089 0.000 0.981 475 Q CA 1.351 57.154 55.803 0.001 0.000 0.856 475 Q CB -0.130 28.437 28.738 -0.285 0.000 0.902 475 Q HN 0.485 nan 8.270 nan 0.000 0.425 476 K N -0.035 120.391 120.400 0.044 0.000 2.063 476 K HA -0.165 4.169 4.320 0.023 0.000 0.208 476 K C 2.412 179.059 176.600 0.078 0.000 1.048 476 K CA 1.820 58.144 56.287 0.062 0.000 0.928 476 K CB -0.287 32.234 32.500 0.035 0.000 0.713 476 K HN 0.404 nan 8.250 nan 0.000 0.442 477 T N -0.701 113.895 114.554 0.071 0.000 2.668 477 T HA -0.140 4.224 4.350 0.023 0.000 0.262 477 T C 1.707 176.467 174.700 0.100 0.000 1.045 477 T CA 1.059 63.208 62.100 0.081 0.000 1.152 477 T CB -0.383 68.525 68.868 0.068 0.000 0.864 477 T HN 0.252 nan 8.240 nan 0.000 0.419 478 E N 1.641 121.903 120.200 0.104 0.000 2.045 478 E HA -0.157 4.207 4.350 0.023 0.000 0.212 478 E C 2.322 178.995 176.600 0.122 0.000 1.039 478 E CA 1.782 58.252 56.400 0.118 0.000 0.860 478 E CB -0.677 29.110 29.700 0.146 0.000 0.776 478 E HN 0.424 nan 8.360 nan 0.000 0.467 479 L N 0.712 122.019 121.223 0.140 0.000 2.064 479 L HA -0.315 4.039 4.340 0.023 0.000 0.216 479 L C 2.817 179.760 176.870 0.122 0.000 1.077 479 L CA 1.449 56.357 54.840 0.113 0.000 0.766 479 L CB -0.578 41.552 42.059 0.118 0.000 0.890 479 L HN 0.222 nan 8.230 nan 0.000 0.435 480 Q N 0.170 120.051 119.800 0.134 0.000 2.050 480 Q HA -0.178 4.176 4.340 0.023 0.000 0.202 480 Q C 2.215 178.322 176.000 0.179 0.000 0.980 480 Q CA 2.161 58.073 55.803 0.182 0.000 0.840 480 Q CB -0.417 28.412 28.738 0.151 0.000 0.898 480 Q HN 0.424 nan 8.270 nan 0.000 0.424 481 A N 0.772 123.676 122.820 0.140 0.000 1.881 481 A HA -0.261 4.073 4.320 0.023 0.000 0.219 481 A C 2.205 179.851 177.584 0.103 0.000 1.215 481 A CA 2.139 54.260 52.037 0.139 0.000 0.648 481 A CB -1.202 17.875 19.000 0.128 0.000 0.832 481 A HN 0.522 nan 8.150 nan 0.000 0.455 482 I N -2.014 118.603 120.570 0.078 0.000 2.194 482 I HA -0.313 3.871 4.170 0.023 0.000 0.246 482 I C 2.527 178.655 176.117 0.017 0.000 1.093 482 I CA 2.119 63.429 61.300 0.018 0.000 1.355 482 I CB -0.586 37.428 38.000 0.023 0.000 1.046 482 I HN 0.572 nan 8.210 nan 0.000 0.413 483 Y N 1.854 122.124 120.300 -0.051 0.000 2.114 483 Y HA -0.230 4.333 4.550 0.023 0.000 0.284 483 Y C 2.318 178.174 175.900 -0.075 0.000 1.143 483 Y CA 1.365 59.428 58.100 -0.062 0.000 1.135 483 Y CB -0.661 37.784 38.460 -0.024 0.000 0.980 483 Y HN 0.001 nan 8.280 nan 0.000 0.499 484 L N -0.151 120.973 121.223 -0.164 0.000 1.963 484 L HA -0.345 4.009 4.340 0.023 0.000 0.220 484 L C 2.813 179.492 176.870 -0.319 0.000 1.076 484 L CA 1.710 56.421 54.840 -0.214 0.000 0.772 484 L CB -1.339 40.768 42.059 0.079 0.000 0.892 484 L HN 0.338 nan 8.230 nan 0.000 0.435 485 A N 0.024 122.635 122.820 -0.349 0.000 1.929 485 A HA -0.291 4.043 4.320 0.023 0.000 0.221 485 A C 2.211 179.299 177.584 -0.826 0.000 1.211 485 A CA 2.372 53.941 52.037 -0.780 0.000 0.657 485 A CB -1.076 17.575 19.000 -0.582 0.000 0.827 485 A HN 0.434 nan 8.150 nan 0.000 0.462 486 L N -1.287 119.639 121.223 -0.495 0.000 2.017 486 L HA -0.256 4.098 4.340 0.023 0.000 0.208 486 L C 2.927 179.604 176.870 -0.322 0.000 1.073 486 L CA 1.713 56.332 54.840 -0.367 0.000 0.745 486 L CB -0.666 41.280 42.059 -0.189 0.000 0.894 486 L HN 0.519 nan 8.230 nan 0.000 0.432 487 Q N 0.495 120.068 119.800 -0.380 0.000 1.935 487 Q HA -0.213 4.141 4.340 0.023 0.000 0.212 487 Q C -0.004 175.885 176.000 -0.185 0.000 1.008 487 Q CA 1.834 57.449 55.803 -0.313 0.000 0.868 487 Q CB -0.421 28.071 28.738 -0.410 0.000 0.946 487 Q HN 0.587 nan 8.270 nan 0.000 0.418 488 D N -0.486 119.823 120.400 -0.152 0.000 2.441 488 D HA 0.128 4.782 4.640 0.023 0.000 0.221 488 D C 0.035 176.335 176.300 0.000 0.000 1.156 488 D CA 0.088 54.072 54.000 -0.027 0.000 0.896 488 D CB 1.125 41.971 40.800 0.077 0.000 1.028 488 D HN 0.201 nan 8.370 nan 0.000 0.509 489 S N 1.335 117.033 115.700 -0.004 0.000 3.324 489 S HA 0.476 4.960 4.470 0.023 0.000 0.229 489 S C 0.823 175.465 174.600 0.071 0.000 1.043 489 S CA 0.031 58.272 58.200 0.069 0.000 1.107 489 S CB -0.088 62.877 63.200 -0.391 0.000 1.057 489 S HN 1.297 nan 8.310 nan 0.000 0.418 490 G N 1.139 109.937 108.800 -0.002 0.000 2.515 490 G HA2 0.161 4.135 3.960 0.023 0.000 0.686 490 G HA3 0.161 4.135 3.960 0.023 0.000 0.686 490 G C -0.168 174.731 174.900 -0.003 0.000 1.274 490 G CA -0.413 44.697 45.100 0.016 0.000 0.874 490 G HN 0.695 nan 8.290 nan 0.000 0.631 491 L N 0.341 121.569 121.223 0.008 0.000 2.351 491 L HA 0.097 4.451 4.340 0.023 0.000 0.220 491 L C 1.484 178.360 176.870 0.011 0.000 1.127 491 L CA 1.841 56.686 54.840 0.007 0.000 0.786 491 L CB -0.350 41.720 42.059 0.017 0.000 0.914 491 L HN 0.623 nan 8.230 nan 0.000 0.443 492 E N -1.062 119.151 120.200 0.021 0.000 2.216 492 E HA 0.572 4.936 4.350 0.023 0.000 0.260 492 E C -1.285 175.339 176.600 0.040 0.000 0.880 492 E CA -0.338 56.081 56.400 0.031 0.000 0.765 492 E CB 2.308 32.031 29.700 0.039 0.000 1.174 492 E HN -0.214 nan 8.360 nan 0.000 0.417 493 V N 2.760 122.688 119.914 0.023 0.000 2.888 493 V HA 0.346 4.480 4.120 0.023 0.000 0.309 493 V C -0.640 175.487 176.094 0.054 0.000 1.114 493 V CA -1.131 61.182 62.300 0.020 0.000 0.940 493 V CB 2.311 34.044 31.823 -0.151 0.000 1.021 493 V HN 0.606 nan 8.190 nan 0.000 0.426 494 N N 3.815 122.586 118.700 0.117 0.000 2.408 494 N HA 0.665 5.419 4.740 0.023 0.000 0.280 494 N C -1.107 174.459 175.510 0.092 0.000 1.002 494 N CA -0.262 52.881 53.050 0.155 0.000 0.907 494 N CB 2.480 41.068 38.487 0.169 0.000 1.161 494 N HN 0.568 nan 8.380 nan 0.000 0.488 495 I N 1.953 122.532 120.570 0.015 0.000 2.468 495 I HA 0.183 4.368 4.170 0.023 0.000 0.284 495 I C 0.103 176.157 176.117 -0.105 0.000 1.038 495 I CA -1.095 60.172 61.300 -0.054 0.000 1.083 495 I CB 1.861 39.791 38.000 -0.116 0.000 1.223 495 I HN 0.155 nan 8.210 nan 0.000 0.443 496 V N 2.883 122.678 119.914 -0.199 0.000 2.644 496 V HA 0.853 4.987 4.120 0.023 0.000 0.295 496 V C -0.267 175.722 176.094 -0.175 0.000 1.053 496 V CA 0.189 62.332 62.300 -0.261 0.000 0.987 496 V CB 1.714 33.217 31.823 -0.534 0.000 1.006 496 V HN 0.835 nan 8.190 nan 0.000 0.472 497 T N 1.658 116.127 114.554 -0.141 0.000 2.802 497 T HA 0.432 4.796 4.350 0.023 0.000 0.311 497 T C -0.689 173.917 174.700 -0.156 0.000 1.405 497 T CA 0.185 62.239 62.100 -0.076 0.000 1.016 497 T CB 1.983 70.860 68.868 0.015 0.000 1.352 497 T HN 1.008 nan 8.240 nan 0.000 0.498 498 D N 0.808 121.141 120.400 -0.112 0.000 2.440 498 D HA 0.192 4.846 4.640 0.023 0.000 0.216 498 D C -0.040 176.443 176.300 0.306 0.000 1.150 498 D CA -0.299 53.578 54.000 -0.206 0.000 0.832 498 D CB 0.038 40.694 40.800 -0.240 0.000 0.992 498 D HN 0.265 nan 8.370 nan 0.000 0.502 499 S N 1.696 117.596 115.700 0.333 0.000 2.423 499 S HA 0.045 4.529 4.470 0.023 0.000 0.302 499 S C 1.325 176.082 174.600 0.262 0.000 1.143 499 S CA -0.482 57.894 58.200 0.294 0.000 1.080 499 S CB 1.584 64.902 63.200 0.196 0.000 1.081 499 S HN 0.121 nan 8.310 nan 0.000 0.522 500 Q N 2.034 121.951 119.800 0.195 0.000 2.014 500 Q HA -0.213 4.141 4.340 0.023 0.000 0.207 500 Q C 1.781 177.731 176.000 -0.084 0.000 0.993 500 Q CA 1.913 57.646 55.803 -0.117 0.000 0.850 500 Q CB -0.446 28.253 28.738 -0.065 0.000 0.916 500 Q HN 0.945 nan 8.270 nan 0.000 0.417 501 Y N 0.769 121.017 120.300 -0.087 0.000 2.097 501 Y HA -0.243 4.321 4.550 0.024 0.000 0.282 501 Y C 2.228 178.085 175.900 -0.071 0.000 1.152 501 Y CA 1.990 60.038 58.100 -0.087 0.000 1.136 501 Y CB -0.506 37.925 38.460 -0.047 0.000 0.975 501 Y HN 0.108 nan 8.280 nan 0.000 0.498 502 A N 0.856 123.603 122.820 -0.122 0.000 1.917 502 A HA -0.229 4.105 4.320 0.023 0.000 0.219 502 A C 2.197 179.660 177.584 -0.201 0.000 1.182 502 A CA 1.852 53.754 52.037 -0.224 0.000 0.633 502 A CB -1.384 17.612 19.000 -0.006 0.000 0.819 502 A HN 0.623 nan 8.150 nan 0.000 0.448 503 L N 0.016 121.160 121.223 -0.133 0.000 1.951 503 L HA -0.155 4.199 4.340 0.023 0.000 0.222 503 L C 2.516 179.258 176.870 -0.213 0.000 1.078 503 L CA 2.786 57.535 54.840 -0.152 0.000 0.778 503 L CB -1.352 40.562 42.059 -0.242 0.000 0.893 503 L HN 0.353 nan 8.230 nan 0.000 0.436 504 G N 0.138 108.767 108.800 -0.286 0.000 2.599 504 G HA2 -0.331 3.643 3.960 0.023 0.000 0.219 504 G HA3 -0.331 3.643 3.960 0.023 0.000 0.219 504 G C 1.557 176.286 174.900 -0.284 0.000 1.193 504 G CA 1.387 46.290 45.100 -0.327 0.000 0.778 504 G HN 0.441 nan 8.290 nan 0.000 0.589 505 I N 0.949 121.331 120.570 -0.313 0.000 2.109 505 I HA -0.251 3.933 4.170 0.023 0.000 0.233 505 I C 2.853 178.955 176.117 -0.024 0.000 1.005 505 I CA 1.601 62.775 61.300 -0.209 0.000 1.294 505 I CB -1.316 36.492 38.000 -0.320 0.000 1.005 505 I HN 0.108 nan 8.210 nan 0.000 0.392 506 I N 0.269 120.816 120.570 -0.038 0.000 2.127 506 I HA -0.314 3.870 4.170 0.023 0.000 0.241 506 I C 2.611 178.795 176.117 0.112 0.000 1.075 506 I CA 1.401 62.740 61.300 0.064 0.000 1.334 506 I CB -0.938 37.063 38.000 0.002 0.000 1.040 506 I HN 0.285 nan 8.210 nan 0.000 0.405 507 Q N 1.035 120.840 119.800 0.008 0.000 2.028 507 Q HA -0.264 4.090 4.340 0.023 0.000 0.215 507 Q C 1.746 177.797 176.000 0.085 0.000 1.041 507 Q CA 2.566 58.369 55.803 -0.001 0.000 0.897 507 Q CB -0.832 27.845 28.738 -0.102 0.000 1.017 507 Q HN 0.573 nan 8.270 nan 0.000 0.418 508 A N 0.110 122.982 122.820 0.086 0.000 2.088 508 A HA -0.020 4.314 4.320 0.023 0.000 0.218 508 A C -0.045 177.825 177.584 0.477 0.000 1.420 508 A CA 0.632 52.835 52.037 0.277 0.000 1.371 508 A CB -0.912 18.144 19.000 0.093 0.000 0.788 508 A HN 0.519 nan 8.150 nan 0.000 0.575 509 Q N -0.774 119.204 119.800 0.298 0.000 2.386 509 Q HA -0.154 4.200 4.340 0.023 0.000 0.361 509 Q C -2.209 173.878 176.000 0.145 0.000 1.325 509 Q CA 1.096 56.974 55.803 0.124 0.000 1.097 509 Q CB -1.236 27.449 28.738 -0.089 0.000 1.303 509 Q HN 0.611 nan 8.270 nan 0.000 0.377 510 P HA 0.029 nan 4.420 nan 0.000 0.275 510 P C -0.361 177.004 177.300 0.108 0.000 1.227 510 P CA 0.040 63.178 63.100 0.062 0.000 0.781 510 P CB 1.050 32.792 31.700 0.071 0.000 0.906 511 D N 0.473 120.865 120.400 -0.014 0.000 2.501 511 D HA 0.087 4.741 4.640 0.023 0.000 0.224 511 D C 0.021 176.224 176.300 -0.162 0.000 1.202 511 D CA -0.208 53.755 54.000 -0.061 0.000 0.829 511 D CB 0.091 40.815 40.800 -0.127 0.000 1.023 511 D HN 0.474 nan 8.370 nan 0.000 0.499 512 Q N -1.665 118.070 119.800 -0.107 0.000 2.507 512 Q HA 0.465 4.819 4.340 0.023 0.000 0.248 512 Q C -1.775 174.187 176.000 -0.063 0.000 0.941 512 Q CA -0.793 54.947 55.803 -0.105 0.000 1.003 512 Q CB 1.087 29.759 28.738 -0.110 0.000 1.517 512 Q HN -0.042 nan 8.270 nan 0.000 0.443 513 S N 0.390 116.061 115.700 -0.047 0.000 2.732 513 S HA 0.378 4.863 4.470 0.023 0.000 0.293 513 S C 0.083 174.674 174.600 -0.015 0.000 1.159 513 S CA 0.096 58.288 58.200 -0.015 0.000 0.847 513 S CB 1.699 64.899 63.200 -0.000 0.000 1.169 513 S HN 0.792 nan 8.310 nan 0.000 0.501 514 E N 0.136 120.340 120.200 0.006 0.000 2.216 514 E HA 0.197 4.561 4.350 0.023 0.000 0.192 514 E C 0.466 177.065 176.600 -0.002 0.000 0.973 514 E CA 0.149 56.552 56.400 0.005 0.000 0.851 514 E CB -0.063 29.650 29.700 0.023 0.000 0.804 514 E HN 0.253 nan 8.360 nan 0.000 0.477 515 S N 1.197 116.899 115.700 0.003 0.000 2.474 515 S HA 0.004 4.488 4.470 0.023 0.000 0.276 515 S C 0.964 175.540 174.600 -0.039 0.000 1.227 515 S CA -0.298 57.898 58.200 -0.006 0.000 1.050 515 S CB 0.928 64.137 63.200 0.016 0.000 0.939 515 S HN 0.422 nan 8.310 nan 0.000 0.490 516 E N 5.132 125.302 120.200 -0.050 0.000 2.051 516 E HA -0.200 4.164 4.350 0.023 0.000 0.192 516 E C 1.871 178.396 176.600 -0.126 0.000 0.991 516 E CA 1.123 57.476 56.400 -0.078 0.000 0.799 516 E CB -0.413 29.246 29.700 -0.068 0.000 0.748 516 E HN 0.575 nan 8.360 nan 0.000 0.449 517 L N 1.642 122.791 121.223 -0.123 0.000 1.997 517 L HA -0.210 4.144 4.340 0.023 0.000 0.216 517 L C 2.440 179.191 176.870 -0.199 0.000 1.074 517 L CA 1.704 56.431 54.840 -0.188 0.000 0.763 517 L CB -0.636 41.364 42.059 -0.098 0.000 0.890 517 L HN 0.157 nan 8.230 nan 0.000 0.434 518 V N 0.228 120.082 119.914 -0.100 0.000 2.287 518 V HA -0.356 3.779 4.120 0.023 0.000 0.248 518 V C 2.333 178.364 176.094 -0.105 0.000 1.053 518 V CA 2.303 64.558 62.300 -0.075 0.000 1.027 518 V CB -1.022 30.787 31.823 -0.022 0.000 0.646 518 V HN 0.583 nan 8.190 nan 0.000 0.447 519 N N -0.344 118.291 118.700 -0.109 0.000 2.104 519 N HA -0.234 4.520 4.740 0.023 0.000 0.190 519 N C 1.912 177.327 175.510 -0.158 0.000 1.024 519 N CA 1.313 54.293 53.050 -0.117 0.000 0.853 519 N CB -0.174 38.248 38.487 -0.108 0.000 1.008 519 N HN 0.524 nan 8.380 nan 0.000 0.424 520 Q N 1.206 120.855 119.800 -0.251 0.000 1.998 520 Q HA -0.192 4.162 4.340 0.023 0.000 0.209 520 Q C 2.296 178.140 176.000 -0.259 0.000 1.002 520 Q CA 1.373 56.938 55.803 -0.397 0.000 0.858 520 Q CB -0.744 27.430 28.738 -0.939 0.000 0.932 520 Q HN 0.527 nan 8.270 nan 0.000 0.416 521 I N 0.554 120.972 120.570 -0.253 0.000 2.208 521 I HA -0.294 3.890 4.170 0.023 0.000 0.245 521 I C 2.426 178.486 176.117 -0.095 0.000 1.097 521 I CA 1.077 62.338 61.300 -0.066 0.000 1.363 521 I CB -0.466 37.496 38.000 -0.064 0.000 1.051 521 I HN 0.149 nan 8.210 nan 0.000 0.413 522 I N 0.358 120.865 120.570 -0.105 0.000 2.208 522 I HA -0.265 3.919 4.170 0.023 0.000 0.245 522 I C 2.608 178.664 176.117 -0.102 0.000 1.097 522 I CA 1.242 62.483 61.300 -0.099 0.000 1.363 522 I CB -0.513 37.465 38.000 -0.037 0.000 1.051 522 I HN 0.261 nan 8.210 nan 0.000 0.413 523 E N 0.515 120.671 120.200 -0.074 0.000 2.031 523 E HA -0.263 4.101 4.350 0.023 0.000 0.193 523 E C 2.108 178.692 176.600 -0.026 0.000 0.994 523 E CA 1.272 57.648 56.400 -0.040 0.000 0.800 523 E CB -0.382 29.303 29.700 -0.024 0.000 0.752 523 E HN 0.387 nan 8.360 nan 0.000 0.447 524 Q N 0.734 120.529 119.800 -0.008 0.000 2.077 524 Q HA -0.109 4.245 4.340 0.023 0.000 0.206 524 Q C 2.363 178.306 176.000 -0.096 0.000 0.989 524 Q CA 1.221 57.016 55.803 -0.013 0.000 0.853 524 Q CB -0.472 28.297 28.738 0.050 0.000 0.907 524 Q HN 0.256 nan 8.270 nan 0.000 0.418 525 L N -0.580 120.524 121.223 -0.198 0.000 2.042 525 L HA -0.203 4.151 4.340 0.023 0.000 0.210 525 L C 2.269 178.972 176.870 -0.277 0.000 1.076 525 L CA 1.083 55.699 54.840 -0.373 0.000 0.749 525 L CB -0.440 41.125 42.059 -0.823 0.000 0.893 525 L HN 0.290 nan 8.230 nan 0.000 0.432 526 I N -0.347 120.132 120.570 -0.151 0.000 2.226 526 I HA -0.303 3.881 4.170 0.023 0.000 0.245 526 I C 2.468 178.629 176.117 0.073 0.000 1.100 526 I CA 1.388 62.739 61.300 0.085 0.000 1.374 526 I CB -0.284 37.824 38.000 0.181 0.000 1.057 526 I HN 0.223 nan 8.210 nan 0.000 0.413 527 K N 0.860 121.274 120.400 0.024 0.000 2.147 527 K HA -0.100 4.234 4.320 0.023 0.000 0.205 527 K C 0.644 177.253 176.600 0.015 0.000 1.049 527 K CA 0.891 57.194 56.287 0.027 0.000 0.936 527 K CB -0.085 32.422 32.500 0.011 0.000 0.722 527 K HN 0.326 nan 8.250 nan 0.000 0.446 528 K N 0.745 121.139 120.400 -0.011 0.000 2.168 528 K HA -0.021 4.313 4.320 0.023 0.000 0.258 528 K C 0.880 177.492 176.600 0.021 0.000 1.010 528 K CA -0.261 56.021 56.287 -0.009 0.000 0.929 528 K CB 0.901 33.376 32.500 -0.042 0.000 0.998 528 K HN -0.128 nan 8.250 nan 0.000 0.479 529 E N 1.628 121.842 120.200 0.023 0.000 2.028 529 E HA -0.044 4.320 4.350 0.023 0.000 0.190 529 E C -0.484 176.143 176.600 0.046 0.000 0.984 529 E CA 1.619 58.040 56.400 0.036 0.000 0.800 529 E CB 0.385 30.103 29.700 0.030 0.000 0.758 529 E HN 0.316 nan 8.360 nan 0.000 0.448 530 K N -0.573 119.851 120.400 0.040 0.000 2.553 530 K HA 0.464 4.798 4.320 0.023 0.000 0.250 530 K C -1.756 174.875 176.600 0.052 0.000 0.953 530 K CA -0.627 55.694 56.287 0.056 0.000 0.800 530 K CB 2.913 35.446 32.500 0.055 0.000 1.243 530 K HN -0.174 nan 8.250 nan 0.000 0.435 531 V N 3.339 123.294 119.914 0.068 0.000 2.577 531 V HA 0.316 4.450 4.120 0.023 0.000 0.303 531 V C -1.463 174.701 176.094 0.117 0.000 1.042 531 V CA -0.912 61.419 62.300 0.052 0.000 0.872 531 V CB 1.446 33.257 31.823 -0.020 0.000 0.998 531 V HN 0.685 nan 8.190 nan 0.000 0.423 532 Y N 5.371 125.665 120.300 -0.011 0.000 2.335 532 Y HA 0.712 5.276 4.550 0.023 0.000 0.338 532 Y C -0.860 175.031 175.900 -0.015 0.000 0.977 532 Y CA -0.817 57.283 58.100 -0.000 0.000 1.114 532 Y CB 1.563 40.025 38.460 0.003 0.000 1.182 532 Y HN 0.585 nan 8.280 nan 0.000 0.463 533 L N 6.072 126.962 121.223 -0.556 0.000 2.341 533 L HA 0.895 5.249 4.340 0.023 0.000 0.278 533 L C -1.186 175.339 176.870 -0.574 0.000 1.005 533 L CA -0.657 53.942 54.840 -0.401 0.000 0.818 533 L CB 1.224 43.148 42.059 -0.227 0.000 1.259 533 L HN 0.863 nan 8.230 nan 0.000 0.418 534 A N 4.185 126.831 122.820 -0.290 0.000 2.414 534 A HA 0.564 4.898 4.320 0.023 0.000 0.306 534 A C -2.072 175.499 177.584 -0.022 0.000 1.054 534 A CA -0.477 51.464 52.037 -0.160 0.000 0.724 534 A CB 1.367 20.349 19.000 -0.029 0.000 1.267 534 A HN 0.792 nan 8.150 nan 0.000 0.418 535 W N 2.241 123.468 121.300 -0.122 0.000 2.606 535 W HA 0.618 5.292 4.660 0.023 0.000 0.332 535 W C -1.130 175.355 176.519 -0.057 0.000 1.052 535 W CA -0.602 56.689 57.345 -0.089 0.000 1.223 535 W CB 1.711 31.119 29.460 -0.088 0.000 1.383 535 W HN 0.887 nan 8.180 nan 0.000 0.524 536 V N 7.087 126.171 119.914 -1.385 0.000 2.925 536 V HA 0.644 4.778 4.120 0.023 0.000 0.311 536 V C -2.570 172.441 176.094 -1.804 0.000 1.104 536 V CA -2.786 58.766 62.300 -1.247 0.000 0.954 536 V CB 2.168 33.662 31.823 -0.548 0.000 1.022 536 V HN 0.485 nan 8.190 nan 0.000 0.427 537 P HA 0.245 nan 4.420 nan 0.000 0.267 537 P C -0.691 176.394 177.300 -0.359 0.000 1.201 537 P CA 0.521 63.262 63.100 -0.599 0.000 0.775 537 P CB 0.437 32.009 31.700 -0.213 0.000 0.854 538 A N 2.384 125.114 122.820 -0.149 0.000 2.302 538 A HA 0.349 4.683 4.320 0.023 0.000 0.285 538 A C 0.288 177.792 177.584 -0.134 0.000 1.105 538 A CA -0.250 51.657 52.037 -0.216 0.000 0.816 538 A CB -0.377 18.506 19.000 -0.194 0.000 1.067 538 A HN 0.785 nan 8.150 nan 0.000 0.489 539 H N -1.250 117.815 119.070 -0.008 0.000 2.845 539 H HA -0.162 4.408 4.556 0.024 0.000 0.296 539 H C 0.567 175.891 175.328 -0.007 0.000 1.116 539 H CA 1.619 57.666 56.048 -0.001 0.000 1.162 539 H CB -1.159 28.609 29.762 0.011 0.000 1.338 539 H HN 0.663 nan 8.280 nan 0.000 0.370 540 K N -0.238 120.190 120.400 0.046 0.000 2.842 540 K HA 0.482 4.816 4.320 0.023 0.000 0.310 540 K C 1.872 178.484 176.600 0.021 0.000 0.992 540 K CA 0.466 56.770 56.287 0.029 0.000 1.207 540 K CB -0.028 32.469 32.500 -0.005 0.000 1.478 540 K HN 0.114 nan 8.250 nan 0.000 0.601 541 G N -0.167 108.637 108.800 0.007 0.000 2.939 541 G HA2 0.096 4.070 3.960 0.023 0.000 0.210 541 G HA3 0.096 4.070 3.960 0.023 0.000 0.210 541 G C -0.013 174.887 174.900 -0.001 0.000 1.160 541 G CA -0.153 44.951 45.100 0.005 0.000 0.770 541 G HN 0.386 nan 8.290 nan 0.000 0.543 542 I N 2.772 123.337 120.570 -0.008 0.000 2.978 542 I HA 0.043 4.228 4.170 0.023 0.000 0.293 542 I C 1.701 177.833 176.117 0.026 0.000 1.218 542 I CA 0.021 61.321 61.300 -0.000 0.000 1.393 542 I CB -0.329 37.650 38.000 -0.036 0.000 1.394 542 I HN 0.076 nan 8.210 nan 0.000 0.541 543 G N 4.383 113.194 108.800 0.019 0.000 2.818 543 G HA2 0.262 4.236 3.960 0.023 0.000 0.235 543 G HA3 0.262 4.236 3.960 0.023 0.000 0.235 543 G C 1.114 175.998 174.900 -0.027 0.000 1.244 543 G CA 0.001 45.078 45.100 -0.038 0.000 0.853 543 G HN 1.190 nan 8.290 nan 0.000 0.596 544 G N 0.967 109.636 108.800 -0.218 0.000 4.236 544 G HA2 -0.429 3.545 3.960 0.023 0.000 0.222 544 G HA3 -0.429 3.545 3.960 0.023 0.000 0.222 544 G C 1.447 176.418 174.900 0.119 0.000 1.354 544 G CA 1.131 46.116 45.100 -0.192 0.000 0.966 544 G HN 0.908 nan 8.290 nan 0.000 0.624 545 N N 2.049 120.862 118.700 0.188 0.000 2.571 545 N HA 0.180 4.934 4.740 0.023 0.000 0.189 545 N C 1.959 177.492 175.510 0.039 0.000 1.154 545 N CA 1.685 54.784 53.050 0.083 0.000 0.907 545 N CB -0.057 38.437 38.487 0.011 0.000 0.977 545 N HN 0.883 nan 8.380 nan 0.000 0.449 546 E N -1.639 118.577 120.200 0.026 0.000 2.256 546 E HA 0.049 4.413 4.350 0.023 0.000 0.198 546 E C 0.211 176.816 176.600 0.007 0.000 0.908 546 E CA 0.037 56.446 56.400 0.016 0.000 0.915 546 E CB 0.033 29.733 29.700 -0.001 0.000 0.890 546 E HN 0.030 nan 8.360 nan 0.000 0.484 547 Q N 0.000 119.791 119.800 -0.016 0.000 2.315 547 Q HA 0.000 4.354 4.340 0.023 0.000 0.214 547 Q CA 0.000 55.789 55.803 -0.024 0.000 1.022 547 Q CB 0.000 28.702 28.738 -0.059 0.000 1.108 547 Q HN 0.000 nan 8.270 nan 0.000 0.481