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 1n6q_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FKKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDICKL VGKLNWASQI YPGIKVRQLS KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN KGRQKVVPLT NTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DKSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LVSAGIRK 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 0.000 177.354 177.300 0.091 0.000 1.155 1 P CA 0.000 63.138 63.100 0.064 0.000 0.800 1 P CB 0.000 31.725 31.700 0.041 0.000 0.726 2 I N -0.076 120.544 120.570 0.083 0.000 2.707 2 I HA 0.460 4.630 4.170 -0.000 0.000 0.309 2 I C 0.344 176.530 176.117 0.115 0.000 1.001 2 I CA -0.445 60.921 61.300 0.110 0.000 1.129 2 I CB 1.405 39.461 38.000 0.093 0.000 1.308 2 I HN 0.244 nan 8.210 nan 0.000 0.466 3 S N 4.689 120.481 115.700 0.154 0.000 2.586 3 S HA 0.320 4.790 4.470 -0.000 0.000 0.274 3 S C -1.843 172.863 174.600 0.177 0.000 1.281 3 S CA -0.779 57.538 58.200 0.195 0.000 1.035 3 S CB 1.030 64.387 63.200 0.262 0.000 0.962 3 S HN 0.449 nan 8.310 nan 0.000 0.512 4 P HA 0.207 nan 4.420 nan 0.000 0.249 4 P C -0.319 177.157 177.300 0.294 0.000 1.229 4 P CA 0.111 63.274 63.100 0.105 0.000 0.788 4 P CB -0.140 31.473 31.700 -0.144 0.000 1.072 5 I N 0.206 121.050 120.570 0.457 0.000 2.710 5 I HA -0.011 4.159 4.170 -0.000 0.000 0.286 5 I C 1.130 177.366 176.117 0.197 0.000 1.181 5 I CA -0.215 61.311 61.300 0.377 0.000 1.430 5 I CB 0.092 38.192 38.000 0.165 0.000 1.367 5 I HN 0.009 nan 8.210 nan 0.000 0.577 6 E N 4.163 124.455 120.200 0.153 0.000 2.413 6 E HA -0.011 4.339 4.350 -0.000 0.000 0.263 6 E C -0.291 176.361 176.600 0.087 0.000 1.015 6 E CA -0.190 56.274 56.400 0.105 0.000 0.916 6 E CB 0.831 30.581 29.700 0.084 0.000 0.947 6 E HN 0.619 nan 8.360 nan 0.000 0.440 7 T N 2.891 117.497 114.554 0.086 0.000 2.869 7 T HA 0.220 4.570 4.350 -0.000 0.000 0.295 7 T C -0.510 174.238 174.700 0.081 0.000 0.987 7 T CA -0.790 61.365 62.100 0.091 0.000 1.109 7 T CB 0.551 69.476 68.868 0.096 0.000 0.932 7 T HN 0.268 nan 8.240 nan 0.000 0.518 8 V N 8.853 128.823 119.914 0.093 0.000 2.488 8 V HA 0.323 4.443 4.120 -0.000 0.000 0.277 8 V C -1.754 174.388 176.094 0.080 0.000 1.046 8 V CA -1.702 60.650 62.300 0.087 0.000 0.986 8 V CB 0.669 32.560 31.823 0.114 0.000 0.989 8 V HN 0.778 nan 8.190 nan 0.000 0.475 9 P HA 0.210 nan 4.420 nan 0.000 0.280 9 P C -0.591 176.682 177.300 -0.045 0.000 1.300 9 P CA 0.122 63.232 63.100 0.016 0.000 0.785 9 P CB 1.357 33.065 31.700 0.013 0.000 0.874 10 V N 2.710 122.561 119.914 -0.105 0.000 2.459 10 V HA 0.518 4.638 4.120 -0.000 0.000 0.295 10 V C -0.174 175.741 176.094 -0.298 0.000 1.029 10 V CA -0.699 61.428 62.300 -0.288 0.000 0.874 10 V CB 1.737 33.347 31.823 -0.354 0.000 0.985 10 V HN 0.304 nan 8.190 nan 0.000 0.438 11 K N 4.302 124.569 120.400 -0.223 0.000 2.416 11 K HA 0.702 5.022 4.320 -0.000 0.000 0.244 11 K C -0.875 175.710 176.600 -0.025 0.000 1.044 11 K CA -0.928 55.328 56.287 -0.052 0.000 0.972 11 K CB 1.603 34.078 32.500 -0.043 0.000 1.286 11 K HN 0.668 nan 8.250 nan 0.000 0.500 12 L N 1.380 122.631 121.223 0.047 0.000 2.344 12 L HA 0.335 4.675 4.340 -0.000 0.000 0.272 12 L C -0.005 176.857 176.870 -0.013 0.000 1.035 12 L CA -0.839 54.015 54.840 0.024 0.000 0.807 12 L CB 1.335 43.351 42.059 -0.071 0.000 1.237 12 L HN 0.422 nan 8.230 nan 0.000 0.442 13 K N 2.300 122.694 120.400 -0.010 0.000 2.504 13 K HA 0.017 4.337 4.320 -0.000 0.000 0.278 13 K C -2.243 174.352 176.600 -0.009 0.000 1.025 13 K CA -1.228 55.051 56.287 -0.014 0.000 1.093 13 K CB -0.107 32.394 32.500 0.001 0.000 0.873 13 K HN 0.239 nan 8.250 nan 0.000 0.483 14 P HA -0.184 nan 4.420 nan 0.000 0.257 14 P C 0.624 177.929 177.300 0.008 0.000 1.153 14 P CA 1.333 64.433 63.100 0.000 0.000 0.762 14 P CB 0.244 31.943 31.700 -0.002 0.000 0.743 15 G N 1.924 110.732 108.800 0.014 0.000 2.179 15 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.260 15 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.260 15 G C 0.268 175.180 174.900 0.021 0.000 0.977 15 G CA 0.184 45.296 45.100 0.020 0.000 0.641 15 G HN 0.448 nan 8.290 nan 0.000 0.533 16 M N -0.669 118.938 119.600 0.013 0.000 2.513 16 M HA 0.684 5.164 4.480 -0.000 0.000 0.250 16 M C 0.110 176.415 176.300 0.008 0.000 1.145 16 M CA -0.558 54.748 55.300 0.011 0.000 0.948 16 M CB 0.906 33.505 32.600 -0.001 0.000 1.405 16 M HN 0.123 nan 8.290 nan 0.000 0.546 17 D N -1.261 119.142 120.400 0.004 0.000 2.610 17 D HA 0.483 5.123 4.640 -0.000 0.000 0.271 17 D C -0.636 175.632 176.300 -0.054 0.000 1.174 17 D CA -0.194 53.821 54.000 0.024 0.000 0.949 17 D CB 1.438 42.330 40.800 0.153 0.000 1.430 17 D HN 0.654 nan 8.370 nan 0.000 0.467 18 G N 0.163 108.916 108.800 -0.078 0.000 2.750 18 G HA2 0.316 4.276 3.960 -0.000 0.000 0.250 18 G HA3 0.316 4.276 3.960 -0.000 0.000 0.250 18 G C -2.165 172.851 174.900 0.193 0.000 1.230 18 G CA -0.682 44.270 45.100 -0.246 0.000 0.883 18 G HN 0.442 nan 8.290 nan 0.000 0.573 19 P HA 0.296 nan 4.420 nan 0.000 0.287 19 P C -0.982 176.452 177.300 0.223 0.000 1.294 19 P CA -0.279 62.919 63.100 0.163 0.000 0.776 19 P CB 1.239 33.001 31.700 0.103 0.000 0.889 20 K N 2.602 123.080 120.400 0.129 0.000 2.724 20 K HA 0.346 4.666 4.320 -0.000 0.000 0.198 20 K C -0.660 175.941 176.600 0.002 0.000 1.099 20 K CA -0.512 55.806 56.287 0.053 0.000 1.025 20 K CB 0.931 33.434 32.500 0.004 0.000 1.509 20 K HN 0.247 nan 8.250 nan 0.000 0.564 21 V N 3.820 123.723 119.914 -0.018 0.000 2.394 21 V HA 0.158 4.278 4.120 -0.000 0.000 0.282 21 V C 0.226 176.234 176.094 -0.144 0.000 1.031 21 V CA -1.181 61.077 62.300 -0.070 0.000 0.881 21 V CB 1.085 32.861 31.823 -0.079 0.000 0.982 21 V HN 0.484 nan 8.190 nan 0.000 0.451 22 K N 3.504 123.818 120.400 -0.144 0.000 2.485 22 K HA 0.082 4.402 4.320 -0.000 0.000 0.277 22 K C -0.309 176.061 176.600 -0.382 0.000 0.990 22 K CA -0.254 55.922 56.287 -0.185 0.000 0.994 22 K CB 0.732 33.171 32.500 -0.101 0.000 0.906 22 K HN 0.677 nan 8.250 nan 0.000 0.488 23 Q N 3.423 123.005 119.800 -0.365 0.000 2.256 23 Q HA 0.222 4.562 4.340 -0.000 0.000 0.254 23 Q C -0.976 174.833 176.000 -0.317 0.000 0.916 23 Q CA -0.409 55.062 55.803 -0.555 0.000 0.932 23 Q CB 0.712 29.257 28.738 -0.322 0.000 1.207 23 Q HN 0.623 nan 8.270 nan 0.000 0.426 24 W N 3.516 124.772 121.300 -0.074 0.000 2.283 24 W HA 0.438 5.098 4.660 -0.000 0.000 0.341 24 W C -2.225 174.281 176.519 -0.021 0.000 1.206 24 W CA -2.199 55.117 57.345 -0.048 0.000 1.294 24 W CB -0.392 29.032 29.460 -0.060 0.000 1.154 24 W HN 0.514 nan 8.180 nan 0.000 0.613 25 P HA 0.215 nan 4.420 nan 0.000 0.271 25 P C -0.329 177.087 177.300 0.193 0.000 1.218 25 P CA 0.178 63.381 63.100 0.171 0.000 0.780 25 P CB 0.780 32.545 31.700 0.108 0.000 0.901 26 L N 0.349 121.668 121.223 0.159 0.000 2.257 26 L HA 0.591 4.931 4.340 -0.000 0.000 0.257 26 L C 0.658 177.590 176.870 0.103 0.000 1.033 26 L CA -0.979 53.958 54.840 0.161 0.000 0.835 26 L CB 1.806 43.990 42.059 0.209 0.000 1.398 26 L HN 0.297 nan 8.230 nan 0.000 0.429 27 T N -3.682 110.932 114.554 0.099 0.000 2.910 27 T HA 0.107 4.457 4.350 -0.000 0.000 0.293 27 T C 0.738 175.452 174.700 0.024 0.000 1.015 27 T CA -0.409 61.727 62.100 0.061 0.000 1.094 27 T CB 1.377 70.289 68.868 0.074 0.000 0.968 27 T HN 0.757 nan 8.240 nan 0.000 0.521 28 E N 0.406 120.607 120.200 0.002 0.000 2.209 28 E HA -0.198 4.152 4.350 -0.000 0.000 0.196 28 E C 1.876 178.432 176.600 -0.073 0.000 0.993 28 E CA 0.801 57.185 56.400 -0.027 0.000 0.819 28 E CB 0.063 29.750 29.700 -0.022 0.000 0.745 28 E HN 0.771 nan 8.360 nan 0.000 0.477 29 E N 0.841 120.999 120.200 -0.070 0.000 2.038 29 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 29 E C 1.798 178.195 176.600 -0.337 0.000 1.000 29 E CA 1.423 57.735 56.400 -0.146 0.000 0.803 29 E CB 0.113 29.797 29.700 -0.028 0.000 0.750 29 E HN 0.257 nan 8.360 nan 0.000 0.448 30 K N -0.136 120.151 120.400 -0.189 0.000 2.116 30 K HA 0.027 4.347 4.320 -0.000 0.000 0.203 30 K C 2.402 178.948 176.600 -0.090 0.000 1.052 30 K CA 0.719 56.905 56.287 -0.168 0.000 0.952 30 K CB -0.022 32.574 32.500 0.160 0.000 0.729 30 K HN 0.110 nan 8.250 nan 0.000 0.446 31 I N 1.552 122.103 120.570 -0.032 0.000 2.058 31 I HA -0.294 3.876 4.170 -0.000 0.000 0.235 31 I C 2.378 178.468 176.117 -0.045 0.000 1.053 31 I CA 1.198 62.495 61.300 -0.004 0.000 1.313 31 I CB -0.264 37.737 38.000 0.000 0.000 1.039 31 I HN 0.010 nan 8.210 nan 0.000 0.396 32 K N 1.456 121.806 120.400 -0.083 0.000 2.281 32 K HA -0.124 4.196 4.320 -0.000 0.000 0.203 32 K C 1.832 178.352 176.600 -0.133 0.000 1.046 32 K CA 1.433 57.666 56.287 -0.090 0.000 0.938 32 K CB -0.408 32.035 32.500 -0.094 0.000 0.737 32 K HN 0.380 nan 8.250 nan 0.000 0.458 33 A N 0.614 123.294 122.820 -0.234 0.000 1.835 33 A HA -0.117 4.203 4.320 -0.000 0.000 0.215 33 A C 2.163 179.685 177.584 -0.104 0.000 1.199 33 A CA 1.628 53.460 52.037 -0.341 0.000 0.615 33 A CB -0.838 17.709 19.000 -0.756 0.000 0.838 33 A HN 0.287 nan 8.150 nan 0.000 0.444 34 L N -0.053 121.164 121.223 -0.010 0.000 2.013 34 L HA -0.225 4.115 4.340 -0.000 0.000 0.212 34 L C 2.514 179.437 176.870 0.088 0.000 1.073 34 L CA 1.543 56.444 54.840 0.102 0.000 0.753 34 L CB -0.812 41.343 42.059 0.160 0.000 0.890 34 L HN 0.284 nan 8.230 nan 0.000 0.432 35 V N -0.412 119.533 119.914 0.052 0.000 2.527 35 V HA -0.317 3.803 4.120 -0.000 0.000 0.255 35 V C 2.346 178.467 176.094 0.045 0.000 1.081 35 V CA 1.807 64.141 62.300 0.057 0.000 1.092 35 V CB -0.669 31.164 31.823 0.017 0.000 0.673 35 V HN 0.481 nan 8.190 nan 0.000 0.470 36 E N 0.269 120.480 120.200 0.018 0.000 2.006 36 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 36 E C 2.192 178.811 176.600 0.031 0.000 0.993 36 E CA 1.796 58.205 56.400 0.015 0.000 0.808 36 E CB -0.228 29.471 29.700 -0.002 0.000 0.764 36 E HN 0.639 nan 8.360 nan 0.000 0.449 37 I N 0.766 121.367 120.570 0.052 0.000 2.151 37 I HA -0.353 3.817 4.170 -0.000 0.000 0.243 37 I C 2.648 178.773 176.117 0.013 0.000 1.080 37 I CA 0.893 62.228 61.300 0.059 0.000 1.339 37 I CB -0.827 37.238 38.000 0.108 0.000 1.039 37 I HN 0.219 nan 8.210 nan 0.000 0.409 38 C N 0.908 120.221 119.300 0.022 0.000 2.429 38 C HA -0.135 4.325 4.460 -0.000 0.000 0.277 38 C C 3.143 178.053 174.990 -0.134 0.000 1.262 38 C CA 1.683 60.647 59.018 -0.091 0.000 1.733 38 C CB -1.206 26.548 27.740 0.022 0.000 2.010 38 C HN 0.550 nan 8.230 nan 0.000 0.483 39 T N 0.397 114.949 114.554 -0.004 0.000 2.720 39 T HA -0.194 4.156 4.350 -0.000 0.000 0.268 39 T C 1.796 176.477 174.700 -0.032 0.000 1.037 39 T CA 1.700 63.808 62.100 0.012 0.000 1.144 39 T CB -0.312 68.575 68.868 0.031 0.000 0.864 39 T HN 0.475 nan 8.240 nan 0.000 0.444 40 E N 1.185 121.367 120.200 -0.030 0.000 2.031 40 E HA -0.045 4.305 4.350 -0.000 0.000 0.193 40 E C 2.173 178.728 176.600 -0.074 0.000 0.994 40 E CA 1.328 57.709 56.400 -0.031 0.000 0.800 40 E CB -0.427 29.270 29.700 -0.004 0.000 0.752 40 E HN 0.512 nan 8.360 nan 0.000 0.447 41 M N 0.088 119.611 119.600 -0.129 0.000 2.067 41 M HA -0.157 4.323 4.480 -0.000 0.000 0.260 41 M C 2.385 178.547 176.300 -0.229 0.000 1.069 41 M CA 1.770 56.939 55.300 -0.218 0.000 1.117 41 M CB -0.420 31.992 32.600 -0.313 0.000 1.334 41 M HN 0.130 nan 8.290 nan 0.000 0.407 42 E N 0.776 120.822 120.200 -0.257 0.000 2.097 42 E HA -0.283 4.067 4.350 -0.000 0.000 0.196 42 E C 1.950 178.492 176.600 -0.098 0.000 1.000 42 E CA 1.584 57.863 56.400 -0.202 0.000 0.804 42 E CB 0.006 29.619 29.700 -0.145 0.000 0.740 42 E HN 0.366 nan 8.360 nan 0.000 0.454 43 K N 0.398 120.756 120.400 -0.071 0.000 2.097 43 K HA -0.118 4.202 4.320 -0.000 0.000 0.205 43 K C 1.635 178.210 176.600 -0.041 0.000 1.050 43 K CA 1.254 57.518 56.287 -0.038 0.000 0.938 43 K CB 0.121 32.607 32.500 -0.022 0.000 0.718 43 K HN 0.094 nan 8.250 nan 0.000 0.442 44 E N -0.994 119.169 120.200 -0.062 0.000 2.511 44 E HA -0.013 4.337 4.350 -0.000 0.000 0.196 44 E C 0.804 177.369 176.600 -0.059 0.000 1.066 44 E CA 0.401 56.770 56.400 -0.052 0.000 0.871 44 E CB 0.246 29.910 29.700 -0.061 0.000 0.863 44 E HN 0.614 nan 8.360 nan 0.000 0.520 45 G N 1.735 110.491 108.800 -0.073 0.000 2.267 45 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.257 45 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.257 45 G C 1.155 175.999 174.900 -0.094 0.000 0.998 45 G CA 0.678 45.742 45.100 -0.060 0.000 0.620 45 G HN 0.147 nan 8.290 nan 0.000 0.529 46 K N 0.484 120.786 120.400 -0.164 0.000 2.173 46 K HA -0.039 4.281 4.320 -0.000 0.000 0.207 46 K C 1.694 178.138 176.600 -0.261 0.000 1.046 46 K CA 1.951 58.090 56.287 -0.247 0.000 0.929 46 K CB -0.458 31.728 32.500 -0.523 0.000 0.720 46 K HN 0.984 nan 8.250 nan 0.000 0.453 47 I N -4.676 115.720 120.570 -0.290 0.000 3.343 47 I HA 0.456 4.626 4.170 -0.000 0.000 0.315 47 I C -0.814 175.210 176.117 -0.155 0.000 1.153 47 I CA -1.072 60.053 61.300 -0.290 0.000 0.952 47 I CB 2.481 40.180 38.000 -0.502 0.000 1.287 47 I HN -0.325 nan 8.210 nan 0.000 0.472 48 S N 0.344 116.016 115.700 -0.046 0.000 2.550 48 S HA 0.382 4.852 4.470 -0.000 0.000 0.270 48 S C -1.163 173.582 174.600 0.242 0.000 1.145 48 S CA -0.820 57.422 58.200 0.069 0.000 0.852 48 S CB 2.004 65.226 63.200 0.038 0.000 1.119 48 S HN 0.644 nan 8.310 nan 0.000 0.465 49 K N 2.827 123.365 120.400 0.231 0.000 2.339 49 K HA 0.389 4.709 4.320 -0.000 0.000 0.286 49 K C -0.058 176.543 176.600 0.003 0.000 1.050 49 K CA -0.369 55.972 56.287 0.089 0.000 0.956 49 K CB 0.049 32.523 32.500 -0.042 0.000 0.990 49 K HN 0.626 nan 8.250 nan 0.000 0.475 50 I N 0.722 121.267 120.570 -0.040 0.000 2.797 50 I HA 0.502 4.672 4.170 -0.000 0.000 0.310 50 I C 0.685 176.762 176.117 -0.065 0.000 0.990 50 I CA -1.036 60.243 61.300 -0.036 0.000 1.228 50 I CB 1.171 39.161 38.000 -0.016 0.000 1.406 50 I HN 0.576 nan 8.210 nan 0.000 0.534 51 G N 1.590 110.362 108.800 -0.046 0.000 2.621 51 G HA2 0.380 4.340 3.960 -0.000 0.000 0.271 51 G HA3 0.380 4.340 3.960 -0.000 0.000 0.271 51 G C -1.517 173.346 174.900 -0.061 0.000 1.236 51 G CA -0.973 44.096 45.100 -0.052 0.000 0.958 51 G HN 0.689 nan 8.290 nan 0.000 0.512 52 P HA -0.023 nan 4.420 nan 0.000 0.227 52 P C 1.198 178.459 177.300 -0.064 0.000 1.161 52 P CA 0.761 63.821 63.100 -0.067 0.000 0.788 52 P CB 0.303 31.965 31.700 -0.063 0.000 0.822 53 E N -0.011 120.157 120.200 -0.053 0.000 2.516 53 E HA -0.086 4.264 4.350 -0.000 0.000 0.199 53 E C 0.330 176.890 176.600 -0.066 0.000 1.069 53 E CA 0.154 56.521 56.400 -0.054 0.000 0.876 53 E CB -0.899 28.779 29.700 -0.037 0.000 0.843 53 E HN 0.145 nan 8.360 nan 0.000 0.530 54 N N 2.522 121.187 118.700 -0.059 0.000 2.430 54 N HA 0.058 4.798 4.740 -0.000 0.000 0.265 54 N C -1.639 173.785 175.510 -0.143 0.000 1.100 54 N CA -1.371 51.650 53.050 -0.048 0.000 0.961 54 N CB 1.491 39.988 38.487 0.018 0.000 1.075 54 N HN -0.021 nan 8.380 nan 0.000 0.478 55 P HA 0.067 nan 4.420 nan 0.000 0.257 55 P C -0.475 176.566 177.300 -0.432 0.000 1.241 55 P CA 0.252 63.096 63.100 -0.427 0.000 0.816 55 P CB 0.229 31.602 31.700 -0.545 0.000 1.150 56 Y N 0.984 121.293 120.300 0.014 0.000 2.316 56 Y HA 0.493 5.043 4.550 -0.000 0.000 0.324 56 Y C 0.886 176.794 175.900 0.013 0.000 1.267 56 Y CA -0.266 57.855 58.100 0.035 0.000 1.311 56 Y CB 0.471 38.989 38.460 0.096 0.000 1.267 56 Y HN -0.110 nan 8.280 nan 0.000 0.516 57 N N -0.834 117.970 118.700 0.173 0.000 2.928 57 N HA 0.349 5.089 4.740 -0.000 0.000 0.247 57 N C -1.876 173.652 175.510 0.031 0.000 1.141 57 N CA -0.572 52.526 53.050 0.080 0.000 0.977 57 N CB 1.406 39.884 38.487 -0.014 0.000 1.663 57 N HN 0.720 nan 8.380 nan 0.000 0.509 58 T N 0.489 115.037 114.554 -0.010 0.000 2.886 58 T HA 0.651 5.001 4.350 -0.000 0.000 0.292 58 T C -2.920 171.636 174.700 -0.240 0.000 1.012 58 T CA -1.792 60.230 62.100 -0.130 0.000 0.982 58 T CB 1.964 70.724 68.868 -0.180 0.000 1.018 58 T HN 0.139 nan 8.240 nan 0.000 0.451 59 P HA 0.279 nan 4.420 nan 0.000 0.270 59 P C -0.830 176.190 177.300 -0.467 0.000 1.216 59 P CA -0.366 62.304 63.100 -0.716 0.000 0.788 59 P CB 0.487 31.519 31.700 -1.115 0.000 0.883 60 V N 3.465 123.119 119.914 -0.434 0.000 2.770 60 V HA 0.411 4.531 4.120 -0.000 0.000 0.280 60 V C -1.183 175.133 176.094 0.371 0.000 1.189 60 V CA -0.450 61.896 62.300 0.077 0.000 0.932 60 V CB -0.463 31.493 31.823 0.222 0.000 1.065 60 V HN 0.475 nan 8.190 nan 0.000 0.462 61 F N 4.599 124.784 119.950 0.391 0.000 2.544 61 F HA 1.041 5.568 4.527 -0.000 0.000 0.378 61 F C 0.310 176.289 175.800 0.299 0.000 1.112 61 F CA -0.760 57.504 58.000 0.440 0.000 1.115 61 F CB 1.445 40.738 39.000 0.488 0.000 1.436 61 F HN 0.719 nan 8.300 nan 0.000 0.496 62 A N 0.507 123.611 122.820 0.473 0.000 2.566 62 A HA 0.778 5.098 4.320 -0.000 0.000 0.292 62 A C -1.850 175.853 177.584 0.198 0.000 1.112 62 A CA -0.647 51.594 52.037 0.341 0.000 0.707 62 A CB 2.130 21.428 19.000 0.497 0.000 1.302 62 A HN 0.739 nan 8.150 nan 0.000 0.409 63 I N -0.358 120.237 120.570 0.040 0.000 3.095 63 I HA 0.611 4.781 4.170 -0.000 0.000 0.310 63 I C -1.165 174.559 176.117 -0.656 0.000 1.196 63 I CA -0.844 60.282 61.300 -0.289 0.000 0.985 63 I CB 2.357 40.203 38.000 -0.257 0.000 1.250 63 I HN 0.726 nan 8.210 nan 0.000 0.446 64 K N 3.230 123.083 120.400 -0.912 0.000 2.235 64 K HA 0.540 4.860 4.320 -0.000 0.000 0.266 64 K C -0.740 175.576 176.600 -0.474 0.000 0.980 64 K CA -0.822 54.859 56.287 -1.009 0.000 0.849 64 K CB 1.450 33.258 32.500 -1.153 0.000 1.098 64 K HN 0.297 nan 8.250 nan 0.000 0.445 65 K N 3.745 123.944 120.400 -0.336 0.000 2.307 65 K HA 0.051 4.371 4.320 -0.000 0.000 0.240 65 K C 0.319 176.830 176.600 -0.148 0.000 1.214 65 K CA -0.097 56.079 56.287 -0.186 0.000 1.149 65 K CB -0.209 32.223 32.500 -0.114 0.000 1.668 65 K HN 0.541 nan 8.250 nan 0.000 0.314 66 K N 0.939 121.245 120.400 -0.158 0.000 2.450 66 K HA -0.363 3.957 4.320 -0.000 0.000 0.211 66 K C 1.226 177.786 176.600 -0.066 0.000 0.957 66 K CA 2.584 58.806 56.287 -0.108 0.000 0.914 66 K CB -0.774 31.672 32.500 -0.091 0.000 1.105 66 K HN 0.786 nan 8.250 nan 0.000 0.505 67 D N -0.020 120.346 120.400 -0.057 0.000 2.108 67 D HA -0.131 4.509 4.640 -0.000 0.000 0.190 67 D C 1.792 178.080 176.300 -0.020 0.000 0.995 67 D CA 2.598 56.578 54.000 -0.033 0.000 0.834 67 D CB -0.182 40.600 40.800 -0.030 0.000 0.967 67 D HN 0.160 nan 8.370 nan 0.000 0.446 68 S N -1.917 113.770 115.700 -0.021 0.000 2.395 68 S HA -0.019 4.451 4.470 -0.000 0.000 0.225 68 S C 0.976 175.584 174.600 0.014 0.000 1.027 68 S CA 1.494 59.696 58.200 0.003 0.000 0.965 68 S CB -0.066 63.141 63.200 0.011 0.000 0.812 68 S HN 0.540 nan 8.310 nan 0.000 0.482 69 T N 0.684 115.224 114.554 -0.023 0.000 5.983 69 T HA -0.194 4.156 4.350 -0.000 0.000 0.274 69 T C 0.243 174.968 174.700 0.042 0.000 2.195 69 T CA 1.529 63.617 62.100 -0.019 0.000 3.709 69 T CB -1.499 67.402 68.868 0.055 0.000 0.873 69 T HN 0.756 nan 8.240 nan 0.000 1.045 70 K N 0.140 120.586 120.400 0.076 0.000 2.188 70 K HA 0.356 4.676 4.320 -0.000 0.000 0.246 70 K C -0.394 176.300 176.600 0.157 0.000 1.026 70 K CA -0.375 56.045 56.287 0.222 0.000 0.871 70 K CB 0.510 33.094 32.500 0.141 0.000 1.042 70 K HN 0.268 nan 8.250 nan 0.000 0.509 71 W N -0.580 120.739 121.300 0.032 0.000 2.799 71 W HA 0.542 5.202 4.660 -0.000 0.000 0.349 71 W C -0.385 176.162 176.519 0.047 0.000 1.100 71 W CA -0.754 56.613 57.345 0.037 0.000 1.174 71 W CB 1.709 31.196 29.460 0.045 0.000 1.427 71 W HN 0.479 nan 8.180 nan 0.000 0.547 72 R N 1.441 122.085 120.500 0.240 0.000 2.564 72 R HA 0.242 4.582 4.340 -0.000 0.000 0.284 72 R C -0.678 175.736 176.300 0.189 0.000 1.031 72 R CA -1.160 55.048 56.100 0.180 0.000 0.904 72 R CB 2.280 32.639 30.300 0.099 0.000 1.199 72 R HN 0.453 nan 8.270 nan 0.000 0.443 73 K N 3.149 123.673 120.400 0.206 0.000 2.447 73 K HA 0.064 4.384 4.320 -0.000 0.000 0.281 73 K C -1.024 175.688 176.600 0.186 0.000 1.031 73 K CA 0.056 56.474 56.287 0.217 0.000 1.019 73 K CB 0.449 33.075 32.500 0.210 0.000 0.918 73 K HN 0.252 nan 8.250 nan 0.000 0.476 74 L N 6.326 127.673 121.223 0.207 0.000 2.388 74 L HA 0.282 4.622 4.340 -0.000 0.000 0.267 74 L C -1.302 175.764 176.870 0.326 0.000 0.995 74 L CA -0.577 54.371 54.840 0.180 0.000 0.864 74 L CB 1.636 43.679 42.059 -0.027 0.000 1.216 74 L HN 0.365 nan 8.230 nan 0.000 0.430 75 V N 2.931 122.943 119.914 0.163 0.000 2.509 75 V HA 0.301 4.421 4.120 -0.000 0.000 0.284 75 V C -0.142 175.928 176.094 -0.039 0.000 1.047 75 V CA -0.624 61.641 62.300 -0.059 0.000 0.952 75 V CB 1.612 33.178 31.823 -0.428 0.000 0.988 75 V HN 0.640 nan 8.190 nan 0.000 0.469 76 D N 3.323 123.676 120.400 -0.078 0.000 2.500 76 D HA 0.226 4.866 4.640 -0.000 0.000 0.219 76 D C 0.222 176.445 176.300 -0.129 0.000 1.137 76 D CA -0.418 53.601 54.000 0.032 0.000 0.946 76 D CB 0.188 41.060 40.800 0.120 0.000 1.022 76 D HN 0.361 nan 8.370 nan 0.000 0.518 77 F N 1.941 121.946 119.950 0.092 0.000 2.716 77 F HA 0.188 4.715 4.527 -0.000 0.000 0.301 77 F C 2.150 178.013 175.800 0.105 0.000 1.210 77 F CA -0.121 57.928 58.000 0.081 0.000 1.422 77 F CB -0.112 38.943 39.000 0.092 0.000 1.073 77 F HN 0.266 nan 8.300 nan 0.000 0.525 78 R N 0.451 121.072 120.500 0.202 0.000 2.096 78 R HA -0.183 4.157 4.340 -0.000 0.000 0.240 78 R C 2.298 178.688 176.300 0.150 0.000 1.139 78 R CA 1.655 57.851 56.100 0.161 0.000 0.952 78 R CB -0.138 30.236 30.300 0.124 0.000 0.854 78 R HN 0.089 nan 8.270 nan 0.000 0.436 79 E N 0.229 120.507 120.200 0.129 0.000 2.072 79 E HA -0.153 4.197 4.350 -0.000 0.000 0.190 79 E C 2.030 178.716 176.600 0.143 0.000 0.982 79 E CA 0.780 57.247 56.400 0.111 0.000 0.803 79 E CB -0.219 29.526 29.700 0.076 0.000 0.755 79 E HN 0.354 nan 8.360 nan 0.000 0.453 80 L N 1.308 122.656 121.223 0.208 0.000 1.971 80 L HA -0.273 4.067 4.340 -0.000 0.000 0.215 80 L C 1.972 179.009 176.870 0.278 0.000 1.072 80 L CA 1.460 56.445 54.840 0.242 0.000 0.758 80 L CB -0.495 41.779 42.059 0.359 0.000 0.889 80 L HN 0.137 nan 8.230 nan 0.000 0.433 81 N N 0.194 119.083 118.700 0.314 0.000 2.182 81 N HA -0.247 4.493 4.740 -0.000 0.000 0.192 81 N C 1.625 177.223 175.510 0.146 0.000 1.007 81 N CA 1.383 54.569 53.050 0.227 0.000 0.873 81 N CB -0.246 38.342 38.487 0.167 0.000 0.998 81 N HN 0.360 nan 8.380 nan 0.000 0.436 82 K N 0.043 120.520 120.400 0.127 0.000 2.296 82 K HA 0.082 4.402 4.320 -0.000 0.000 0.200 82 K C 1.397 178.042 176.600 0.075 0.000 1.048 82 K CA 0.687 57.025 56.287 0.085 0.000 0.966 82 K CB 0.188 32.732 32.500 0.073 0.000 0.754 82 K HN 0.158 nan 8.250 nan 0.000 0.466 83 R N -0.427 120.127 120.500 0.091 0.000 2.404 83 R HA 0.105 4.445 4.340 -0.000 0.000 0.237 83 R C -0.077 176.274 176.300 0.084 0.000 0.907 83 R CA 0.043 56.177 56.100 0.056 0.000 1.063 83 R CB 0.947 31.253 30.300 0.010 0.000 1.134 83 R HN -0.088 nan 8.270 nan 0.000 0.529 84 T N 2.853 117.516 114.554 0.181 0.000 2.832 84 T HA 0.061 4.411 4.350 -0.000 0.000 0.296 84 T C 0.064 174.812 174.700 0.079 0.000 0.968 84 T CA -0.485 61.768 62.100 0.254 0.000 1.107 84 T CB 1.121 70.300 68.868 0.518 0.000 0.916 84 T HN 0.228 nan 8.240 nan 0.000 0.517 85 Q N 2.246 122.016 119.800 -0.049 0.000 2.523 85 Q HA 0.084 4.424 4.340 -0.000 0.000 0.283 85 Q C -0.702 175.162 176.000 -0.227 0.000 1.140 85 Q CA -0.106 55.594 55.803 -0.173 0.000 0.981 85 Q CB 0.084 28.637 28.738 -0.309 0.000 1.310 85 Q HN 0.589 nan 8.270 nan 0.000 0.483 86 D N 0.471 120.768 120.400 -0.170 0.000 2.168 86 D HA 0.417 5.057 4.640 -0.000 0.000 0.246 86 D C -0.923 175.315 176.300 -0.103 0.000 1.050 86 D CA -0.543 53.434 54.000 -0.039 0.000 0.857 86 D CB 0.479 41.287 40.800 0.012 0.000 1.169 86 D HN 0.471 nan 8.370 nan 0.000 0.453 87 F N -0.386 119.497 119.950 -0.112 0.000 2.450 87 F HA 0.329 4.856 4.527 -0.000 0.000 0.328 87 F C 0.552 176.325 175.800 -0.045 0.000 1.068 87 F CA -1.505 56.453 58.000 -0.071 0.000 1.007 87 F CB 1.310 40.230 39.000 -0.134 0.000 1.251 87 F HN 0.285 nan 8.300 nan 0.000 0.492 88 W N 3.765 125.141 121.300 0.126 0.000 2.367 88 W HA 0.209 4.869 4.660 -0.000 0.000 0.329 88 W C -0.615 175.931 176.519 0.046 0.000 1.066 88 W CA -0.713 56.664 57.345 0.055 0.000 1.435 88 W CB 0.470 29.944 29.460 0.023 0.000 1.296 88 W HN 0.561 nan 8.180 nan 0.000 0.401 89 E N 3.474 123.327 120.200 -0.579 0.000 2.465 89 E HA -0.059 4.291 4.350 -0.000 0.000 0.260 89 E C 0.811 177.235 176.600 -0.293 0.000 0.980 89 E CA 0.200 56.365 56.400 -0.393 0.000 0.927 89 E CB 2.023 31.484 29.700 -0.398 0.000 0.934 89 E HN 0.375 nan 8.360 nan 0.000 0.459 90 V N 2.379 122.245 119.914 -0.080 0.000 2.685 90 V HA -0.130 3.990 4.120 -0.000 0.000 0.244 90 V C 1.090 177.195 176.094 0.018 0.000 1.054 90 V CA 0.560 62.883 62.300 0.039 0.000 1.076 90 V CB -0.129 31.729 31.823 0.059 0.000 0.725 90 V HN 0.543 nan 8.190 nan 0.000 0.467 91 Q N 0.855 120.642 119.800 -0.022 0.000 2.256 91 Q HA 0.014 4.354 4.340 -0.000 0.000 0.281 91 Q C 0.650 176.661 176.000 0.020 0.000 1.162 91 Q CA 0.705 56.518 55.803 0.017 0.000 0.943 91 Q CB 0.266 29.003 28.738 -0.001 0.000 1.195 91 Q HN 0.481 nan 8.270 nan 0.000 0.403 92 L N 2.355 123.610 121.223 0.053 0.000 2.307 92 L HA 0.335 4.675 4.340 -0.000 0.000 0.211 92 L C 1.007 177.901 176.870 0.040 0.000 1.099 92 L CA 0.544 55.413 54.840 0.049 0.000 0.816 92 L CB 0.144 42.246 42.059 0.071 0.000 0.952 92 L HN 0.761 nan 8.230 nan 0.000 0.455 93 G N 0.020 108.852 108.800 0.053 0.000 2.556 93 G HA2 0.301 4.261 3.960 -0.000 0.000 0.294 93 G HA3 0.301 4.261 3.960 -0.000 0.000 0.294 93 G C -1.521 173.400 174.900 0.036 0.000 1.516 93 G CA -0.664 44.458 45.100 0.036 0.000 0.824 93 G HN -0.006 nan 8.290 nan 0.000 0.535 94 I N 1.219 121.783 120.570 -0.011 0.000 2.519 94 I HA 0.591 4.761 4.170 -0.000 0.000 0.287 94 I C -1.426 174.599 176.117 -0.153 0.000 1.047 94 I CA -1.633 59.581 61.300 -0.145 0.000 1.381 94 I CB 1.379 39.247 38.000 -0.220 0.000 1.417 94 I HN 0.363 nan 8.210 nan 0.000 0.540 95 P HA 0.147 nan 4.420 nan 0.000 0.275 95 P C -1.210 175.982 177.300 -0.180 0.000 1.270 95 P CA 0.109 63.145 63.100 -0.107 0.000 0.791 95 P CB 0.419 32.140 31.700 0.036 0.000 1.089 96 H N -0.401 118.504 119.070 -0.276 0.000 3.029 96 H HA 0.173 4.729 4.556 -0.000 0.000 0.358 96 H C -2.181 172.834 175.328 -0.521 0.000 1.129 96 H CA -1.592 54.203 56.048 -0.422 0.000 1.230 96 H CB 2.382 31.924 29.762 -0.367 0.000 1.827 96 H HN 0.122 nan 8.280 nan 0.000 0.530 97 P HA -0.107 nan 4.420 nan 0.000 0.219 97 P C 0.963 178.027 177.300 -0.393 0.000 1.146 97 P CA 1.430 64.057 63.100 -0.789 0.000 0.808 97 P CB 0.076 30.813 31.700 -1.605 0.000 0.779 98 A N 0.145 122.974 122.820 0.014 0.000 2.178 98 A HA 0.056 4.376 4.320 -0.000 0.000 0.218 98 A C 2.155 179.896 177.584 0.261 0.000 1.157 98 A CA 1.407 53.621 52.037 0.296 0.000 0.689 98 A CB -1.412 17.718 19.000 0.216 0.000 0.787 98 A HN 0.354 nan 8.150 nan 0.000 0.465 99 G N -0.797 107.944 108.800 -0.098 0.000 3.605 99 G HA2 0.473 4.433 3.960 -0.000 0.000 0.277 99 G HA3 0.473 4.433 3.960 -0.000 0.000 0.277 99 G C 0.093 174.955 174.900 -0.064 0.000 1.093 99 G CA -0.304 44.697 45.100 -0.164 0.000 0.821 99 G HN 0.322 nan 8.290 nan 0.000 0.532 100 L N 0.002 121.147 121.223 -0.130 0.000 2.334 100 L HA 0.569 4.909 4.340 -0.000 0.000 0.272 100 L C -0.238 176.585 176.870 -0.078 0.000 1.020 100 L CA -1.014 53.672 54.840 -0.257 0.000 0.812 100 L CB 2.068 43.691 42.059 -0.727 0.000 1.264 100 L HN -0.087 nan 8.230 nan 0.000 0.439 101 K N 1.273 121.659 120.400 -0.024 0.000 2.207 101 K HA 0.394 4.714 4.320 -0.000 0.000 0.255 101 K C -0.949 175.670 176.600 0.031 0.000 0.941 101 K CA -0.946 55.382 56.287 0.069 0.000 0.825 101 K CB 1.745 34.312 32.500 0.112 0.000 1.119 101 K HN 0.350 nan 8.250 nan 0.000 0.430 102 K N 2.779 123.276 120.400 0.162 0.000 2.402 102 K HA 0.009 4.329 4.320 -0.000 0.000 0.279 102 K C -0.234 176.448 176.600 0.136 0.000 1.082 102 K CA 0.353 56.782 56.287 0.236 0.000 1.080 102 K CB 0.190 32.865 32.500 0.292 0.000 0.899 102 K HN 0.128 nan 8.250 nan 0.000 0.469 103 K N 3.414 123.886 120.400 0.119 0.000 2.206 103 K HA 0.169 4.488 4.320 -0.000 0.000 0.264 103 K C 0.731 177.374 176.600 0.071 0.000 0.967 103 K CA -0.691 55.647 56.287 0.084 0.000 0.844 103 K CB 1.620 34.162 32.500 0.070 0.000 1.099 103 K HN 0.278 nan 8.250 nan 0.000 0.441 104 K N 1.171 121.603 120.400 0.052 0.000 1.986 104 K HA -0.111 4.209 4.320 -0.000 0.000 0.230 104 K C 0.401 176.993 176.600 -0.014 0.000 1.048 104 K CA 1.587 57.892 56.287 0.029 0.000 1.008 104 K CB -0.406 32.108 32.500 0.023 0.000 0.737 104 K HN 0.552 nan 8.250 nan 0.000 0.447 105 S N 0.021 115.662 115.700 -0.098 0.000 2.525 105 S HA 0.472 4.942 4.470 -0.000 0.000 0.290 105 S C -0.336 174.036 174.600 -0.380 0.000 1.152 105 S CA -0.890 57.109 58.200 -0.334 0.000 1.072 105 S CB 2.256 65.057 63.200 -0.664 0.000 1.027 105 S HN 0.058 nan 8.310 nan 0.000 0.500 106 V N 2.122 121.843 119.914 -0.322 0.000 2.971 106 V HA 0.695 4.815 4.120 -0.000 0.000 0.309 106 V C -0.391 175.479 176.094 -0.374 0.000 1.130 106 V CA -0.578 61.538 62.300 -0.306 0.000 0.964 106 V CB 2.555 34.221 31.823 -0.261 0.000 1.029 106 V HN 0.976 nan 8.190 nan 0.000 0.427 107 T N 2.207 116.467 114.554 -0.489 0.000 2.883 107 T HA 0.747 5.097 4.350 -0.000 0.000 0.301 107 T C -1.244 173.061 174.700 -0.659 0.000 1.158 107 T CA -0.576 61.249 62.100 -0.458 0.000 1.007 107 T CB 2.196 71.008 68.868 -0.093 0.000 1.186 107 T HN 0.401 nan 8.240 nan 0.000 0.499 108 V N 2.439 122.028 119.914 -0.543 0.000 2.709 108 V HA 0.652 4.772 4.120 -0.000 0.000 0.308 108 V C -0.894 175.041 176.094 -0.266 0.000 1.062 108 V CA -0.701 61.325 62.300 -0.457 0.000 0.901 108 V CB 1.702 33.120 31.823 -0.674 0.000 1.003 108 V HN 0.693 nan 8.190 nan 0.000 0.425 109 L N 3.102 124.243 121.223 -0.137 0.000 2.230 109 L HA 0.848 5.188 4.340 -0.000 0.000 0.255 109 L C -1.287 175.583 176.870 -0.000 0.000 1.039 109 L CA -0.724 54.086 54.840 -0.050 0.000 0.846 109 L CB 2.303 44.337 42.059 -0.041 0.000 1.419 109 L HN 0.526 nan 8.230 nan 0.000 0.435 110 D N -0.831 119.583 120.400 0.022 0.000 2.769 110 D HA 0.475 5.115 4.640 -0.000 0.000 0.219 110 D C -1.371 174.947 176.300 0.029 0.000 1.245 110 D CA -0.234 53.784 54.000 0.030 0.000 0.801 110 D CB 2.646 43.468 40.800 0.037 0.000 1.598 110 D HN 0.120 nan 8.370 nan 0.000 0.485 111 V N 0.717 120.646 119.914 0.024 0.000 2.743 111 V HA 0.830 4.950 4.120 -0.000 0.000 0.301 111 V C 0.962 177.058 176.094 0.003 0.000 1.057 111 V CA -0.651 61.673 62.300 0.039 0.000 1.006 111 V CB 1.669 33.551 31.823 0.099 0.000 1.024 111 V HN 0.626 nan 8.190 nan 0.000 0.473 112 G N 0.429 109.246 108.800 0.029 0.000 2.356 112 G HA2 0.543 4.503 3.960 -0.000 0.000 0.322 112 G HA3 0.543 4.503 3.960 -0.000 0.000 0.322 112 G C -0.211 174.710 174.900 0.035 0.000 1.125 112 G CA -0.174 44.938 45.100 0.019 0.000 0.885 112 G HN 0.810 nan 8.290 nan 0.000 0.467 113 D N 0.296 120.695 120.400 -0.001 0.000 3.076 113 D HA -0.281 4.359 4.640 -0.000 0.000 0.218 113 D C 1.912 178.222 176.300 0.016 0.000 1.156 113 D CA 1.268 55.296 54.000 0.045 0.000 0.921 113 D CB -1.195 39.724 40.800 0.199 0.000 1.113 113 D HN 0.768 nan 8.370 nan 0.000 0.418 114 A N 0.025 122.769 122.820 -0.126 0.000 1.883 114 A HA -0.359 3.961 4.320 -0.000 0.000 0.232 114 A C 1.888 179.405 177.584 -0.113 0.000 1.671 114 A CA 2.448 54.339 52.037 -0.242 0.000 0.748 114 A CB -1.113 17.305 19.000 -0.968 0.000 0.850 114 A HN 0.378 nan 8.150 nan 0.000 0.488 115 Y N -1.655 118.472 120.300 -0.289 0.000 2.145 115 Y HA -0.123 4.427 4.550 -0.000 0.000 0.286 115 Y C 2.170 178.206 175.900 0.226 0.000 1.145 115 Y CA 1.023 59.088 58.100 -0.058 0.000 1.148 115 Y CB -0.893 37.453 38.460 -0.190 0.000 0.981 115 Y HN 0.352 nan 8.280 nan 0.000 0.507 116 F N -0.864 119.229 119.950 0.238 0.000 2.722 116 F HA -0.068 4.459 4.527 -0.000 0.000 0.298 116 F C 1.990 177.897 175.800 0.177 0.000 1.175 116 F CA 0.515 58.630 58.000 0.192 0.000 1.462 116 F CB -0.921 38.165 39.000 0.143 0.000 1.111 116 F HN -0.073 nan 8.300 nan 0.000 0.592 117 S N -1.335 114.596 115.700 0.385 0.000 2.540 117 S HA 0.188 4.658 4.470 -0.000 0.000 0.222 117 S C 0.464 175.235 174.600 0.286 0.000 1.008 117 S CA -0.038 58.342 58.200 0.300 0.000 0.939 117 S CB 0.733 64.098 63.200 0.275 0.000 0.865 117 S HN -0.127 nan 8.310 nan 0.000 0.499 118 V N 3.999 124.115 119.914 0.337 0.000 2.370 118 V HA 0.366 4.486 4.120 -0.000 0.000 0.283 118 V C -2.641 173.598 176.094 0.241 0.000 1.023 118 V CA -2.347 60.118 62.300 0.276 0.000 0.857 118 V CB 1.212 33.223 31.823 0.313 0.000 0.985 118 V HN 0.035 nan 8.190 nan 0.000 0.443 119 P HA 0.053 nan 4.420 nan 0.000 0.264 119 P C -0.684 176.714 177.300 0.163 0.000 1.183 119 P CA -0.093 63.102 63.100 0.158 0.000 0.763 119 P CB 0.436 32.216 31.700 0.133 0.000 0.807 120 L N 3.647 124.959 121.223 0.149 0.000 2.289 120 L HA 0.306 4.646 4.340 -0.000 0.000 0.285 120 L C 0.227 177.176 176.870 0.131 0.000 1.049 120 L CA -0.523 54.401 54.840 0.141 0.000 0.804 120 L CB 0.332 42.447 42.059 0.092 0.000 1.195 120 L HN 0.322 nan 8.230 nan 0.000 0.428 121 D N 3.154 123.641 120.400 0.144 0.000 2.877 121 D HA -0.206 4.434 4.640 -0.000 0.000 0.220 121 D C 0.937 177.312 176.300 0.125 0.000 1.089 121 D CA 0.706 54.784 54.000 0.130 0.000 0.811 121 D CB 0.870 41.746 40.800 0.127 0.000 1.162 121 D HN 0.835 nan 8.370 nan 0.000 0.513 122 E N 3.300 123.555 120.200 0.092 0.000 2.035 122 E HA -0.264 4.086 4.350 -0.000 0.000 0.204 122 E C 0.821 177.458 176.600 0.060 0.000 1.025 122 E CA 2.327 58.766 56.400 0.066 0.000 0.835 122 E CB -0.218 29.513 29.700 0.051 0.000 0.764 122 E HN 0.636 nan 8.360 nan 0.000 0.457 123 D N -1.421 119.022 120.400 0.072 0.000 2.400 123 D HA -0.062 4.578 4.640 -0.000 0.000 0.242 123 D C 0.441 176.808 176.300 0.112 0.000 1.077 123 D CA 0.312 54.349 54.000 0.062 0.000 0.943 123 D CB -0.050 40.797 40.800 0.078 0.000 0.882 123 D HN 0.215 nan 8.370 nan 0.000 0.529 124 F N -0.241 119.667 119.950 -0.069 0.000 2.778 124 F HA 0.287 4.814 4.527 -0.000 0.000 0.314 124 F C 1.610 177.317 175.800 -0.155 0.000 1.073 124 F CA -0.229 57.740 58.000 -0.051 0.000 1.218 124 F CB 0.308 39.329 39.000 0.035 0.000 1.037 124 F HN -0.294 nan 8.300 nan 0.000 0.594 125 R N 1.436 121.878 120.500 -0.096 0.000 2.113 125 R HA -0.253 4.086 4.340 -0.000 0.000 0.244 125 R C 2.131 178.287 176.300 -0.241 0.000 1.142 125 R CA 2.439 58.457 56.100 -0.136 0.000 0.953 125 R CB -0.708 29.578 30.300 -0.024 0.000 0.860 125 R HN 0.365 nan 8.270 nan 0.000 0.438 126 K N -0.227 119.975 120.400 -0.330 0.000 2.242 126 K HA -0.239 4.081 4.320 -0.000 0.000 0.206 126 K C 1.329 177.696 176.600 -0.389 0.000 1.045 126 K CA 1.973 58.064 56.287 -0.327 0.000 0.930 126 K CB -0.444 31.811 32.500 -0.409 0.000 0.726 126 K HN 0.258 nan 8.250 nan 0.000 0.462 127 Y N 2.157 122.153 120.300 -0.506 0.000 2.420 127 Y HA -0.023 4.527 4.550 -0.000 0.000 0.292 127 Y C 2.243 177.951 175.900 -0.320 0.000 1.119 127 Y CA 1.057 58.771 58.100 -0.645 0.000 1.229 127 Y CB -0.564 37.279 38.460 -1.027 0.000 1.026 127 Y HN 0.290 nan 8.280 nan 0.000 0.554 128 T N -1.552 112.929 114.554 -0.122 0.000 3.317 128 T HA 0.434 4.784 4.350 -0.000 0.000 0.250 128 T C 0.764 175.679 174.700 0.357 0.000 1.106 128 T CA 0.049 62.241 62.100 0.152 0.000 0.986 128 T CB -0.906 68.017 68.868 0.090 0.000 1.010 128 T HN 0.208 nan 8.240 nan 0.000 0.560 129 A N 1.773 124.749 122.820 0.260 0.000 2.462 129 A HA 0.598 4.918 4.320 -0.000 0.000 0.243 129 A C -0.091 177.726 177.584 0.388 0.000 1.076 129 A CA -0.650 51.574 52.037 0.312 0.000 0.773 129 A CB -0.308 18.817 19.000 0.208 0.000 1.010 129 A HN 0.868 nan 8.150 nan 0.000 0.493 130 F N -0.796 119.195 119.950 0.069 0.000 2.668 130 F HA 0.742 5.269 4.527 -0.000 0.000 0.309 130 F C -0.485 175.317 175.800 0.003 0.000 1.117 130 F CA -0.802 57.200 58.000 0.004 0.000 0.951 130 F CB 1.339 40.340 39.000 0.001 0.000 1.323 130 F HN 0.413 nan 8.300 nan 0.000 0.451 131 T N 2.998 117.427 114.554 -0.209 0.000 2.885 131 T HA 0.537 4.887 4.350 -0.000 0.000 0.285 131 T C -1.036 173.535 174.700 -0.216 0.000 1.019 131 T CA -0.585 61.327 62.100 -0.313 0.000 1.010 131 T CB 1.896 70.649 68.868 -0.192 0.000 1.022 131 T HN 0.795 nan 8.240 nan 0.000 0.466 132 I N 4.523 124.961 120.570 -0.220 0.000 2.502 132 I HA 0.340 4.510 4.170 -0.000 0.000 0.276 132 I C -2.259 173.816 176.117 -0.071 0.000 1.057 132 I CA -2.822 58.440 61.300 -0.063 0.000 1.163 132 I CB 1.316 39.311 38.000 -0.008 0.000 1.288 132 I HN 0.368 nan 8.210 nan 0.000 0.479 133 P HA -0.057 nan 4.420 nan 0.000 0.268 133 P C -0.416 176.865 177.300 -0.031 0.000 1.189 133 P CA 0.226 63.304 63.100 -0.037 0.000 0.771 133 P CB 0.391 32.090 31.700 -0.001 0.000 0.822 134 S N 1.795 117.472 115.700 -0.039 0.000 2.562 134 S HA 0.173 4.643 4.470 -0.000 0.000 0.275 134 S C 1.622 176.211 174.600 -0.018 0.000 1.281 134 S CA -0.744 57.434 58.200 -0.035 0.000 1.045 134 S CB 0.514 63.688 63.200 -0.044 0.000 0.962 134 S HN 0.644 nan 8.310 nan 0.000 0.503 135 I N 2.129 122.690 120.570 -0.016 0.000 2.132 135 I HA -0.350 3.820 4.170 -0.000 0.000 0.238 135 I C 0.625 176.740 176.117 -0.003 0.000 1.012 135 I CA 2.103 63.398 61.300 -0.008 0.000 1.288 135 I CB -0.729 37.263 38.000 -0.014 0.000 0.997 135 I HN 0.962 nan 8.210 nan 0.000 0.402 136 N N 0.062 118.756 118.700 -0.009 0.000 2.643 136 N HA 0.080 4.820 4.740 -0.000 0.000 0.305 136 N C 0.157 175.661 175.510 -0.010 0.000 1.283 136 N CA -0.351 52.695 53.050 -0.007 0.000 0.946 136 N CB 0.123 38.605 38.487 -0.009 0.000 1.149 136 N HN 0.181 nan 8.380 nan 0.000 0.600 137 N N -0.360 118.334 118.700 -0.010 0.000 2.535 137 N HA -0.068 4.672 4.740 -0.000 0.000 0.203 137 N C -0.200 175.299 175.510 -0.020 0.000 1.301 137 N CA 0.051 53.093 53.050 -0.013 0.000 0.859 137 N CB -0.055 38.427 38.487 -0.009 0.000 1.055 137 N HN 0.447 nan 8.380 nan 0.000 0.457 138 E N -0.677 119.510 120.200 -0.023 0.000 2.855 138 E HA -0.012 4.338 4.350 -0.000 0.000 0.259 138 E C -0.270 176.309 176.600 -0.036 0.000 1.390 138 E CA -0.244 56.139 56.400 -0.028 0.000 1.069 138 E CB 0.476 30.159 29.700 -0.029 0.000 1.172 138 E HN 0.129 nan 8.360 nan 0.000 0.668 139 T N 1.900 116.430 114.554 -0.041 0.000 2.902 139 T HA -0.032 4.318 4.350 -0.000 0.000 0.317 139 T C -2.153 172.511 174.700 -0.060 0.000 1.064 139 T CA -0.955 61.115 62.100 -0.050 0.000 1.130 139 T CB 0.109 68.945 68.868 -0.053 0.000 1.073 139 T HN 0.295 nan 8.240 nan 0.000 0.524 140 P HA 0.039 nan 4.420 nan 0.000 0.269 140 P C 0.641 177.880 177.300 -0.102 0.000 1.200 140 P CA -0.109 62.940 63.100 -0.084 0.000 0.779 140 P CB 0.015 31.659 31.700 -0.093 0.000 0.841 141 G N 0.912 109.643 108.800 -0.114 0.000 2.479 141 G HA2 0.333 4.293 3.960 -0.000 0.000 0.275 141 G HA3 0.333 4.293 3.960 -0.000 0.000 0.275 141 G C -0.080 174.703 174.900 -0.195 0.000 1.421 141 G CA -0.785 44.234 45.100 -0.135 0.000 1.059 141 G HN 0.492 nan 8.290 nan 0.000 0.535 142 I N 0.766 121.181 120.570 -0.258 0.000 2.315 142 I HA 0.314 4.484 4.170 -0.000 0.000 0.291 142 I C 0.142 175.913 176.117 -0.576 0.000 1.006 142 I CA -0.763 60.293 61.300 -0.407 0.000 1.265 142 I CB 1.285 39.027 38.000 -0.430 0.000 1.387 142 I HN 0.107 nan 8.210 nan 0.000 0.475 143 R N 5.105 125.275 120.500 -0.549 0.000 2.459 143 R HA 0.543 4.883 4.340 -0.000 0.000 0.281 143 R C -1.238 174.671 176.300 -0.652 0.000 1.050 143 R CA -0.562 55.236 56.100 -0.504 0.000 1.055 143 R CB 1.121 31.252 30.300 -0.282 0.000 1.045 143 R HN 0.400 nan 8.270 nan 0.000 0.495 144 Y N -0.400 119.657 120.300 -0.406 0.000 2.571 144 Y HA 0.292 4.842 4.550 -0.000 0.000 0.341 144 Y C 0.080 175.991 175.900 0.019 0.000 1.076 144 Y CA -0.846 57.094 58.100 -0.266 0.000 1.029 144 Y CB 1.900 40.100 38.460 -0.433 0.000 1.308 144 Y HN 0.445 nan 8.280 nan 0.000 0.461 145 Q N 1.146 121.124 119.800 0.296 0.000 2.423 145 Q HA 0.477 4.817 4.340 -0.000 0.000 0.278 145 Q C -2.007 174.081 176.000 0.146 0.000 1.097 145 Q CA -0.831 55.118 55.803 0.243 0.000 0.809 145 Q CB 2.228 31.040 28.738 0.122 0.000 1.391 145 Q HN 0.740 nan 8.270 nan 0.000 0.428 146 Y N 2.059 122.420 120.300 0.102 0.000 2.299 146 Y HA 0.228 4.778 4.550 -0.000 0.000 0.326 146 Y C 0.844 176.739 175.900 -0.009 0.000 1.164 146 Y CA 0.310 58.424 58.100 0.022 0.000 1.234 146 Y CB 1.230 39.673 38.460 -0.029 0.000 1.219 146 Y HN 0.727 nan 8.280 nan 0.000 0.497 147 N N 0.842 119.621 118.700 0.132 0.000 2.397 147 N HA 0.048 4.788 4.740 -0.000 0.000 0.190 147 N C -0.016 175.577 175.510 0.138 0.000 1.099 147 N CA 0.542 53.650 53.050 0.096 0.000 0.876 147 N CB 0.628 39.135 38.487 0.034 0.000 1.143 147 N HN 0.418 nan 8.380 nan 0.000 0.468 148 V N -1.206 118.830 119.914 0.203 0.000 3.420 148 V HA 0.499 4.619 4.120 -0.000 0.000 0.295 148 V C 0.520 176.766 176.094 0.254 0.000 1.201 148 V CA -0.907 61.539 62.300 0.243 0.000 0.995 148 V CB 0.531 32.526 31.823 0.287 0.000 1.244 148 V HN -0.148 nan 8.190 nan 0.000 0.466 149 L N 2.169 123.567 121.223 0.293 0.000 2.342 149 L HA 0.371 4.710 4.340 -0.000 0.000 0.285 149 L C -2.318 174.574 176.870 0.037 0.000 1.095 149 L CA -1.360 53.588 54.840 0.180 0.000 0.843 149 L CB 0.784 42.997 42.059 0.258 0.000 1.201 149 L HN 0.496 nan 8.230 nan 0.000 0.445 150 P HA -0.014 nan 4.420 nan 0.000 0.265 150 P C -0.696 176.354 177.300 -0.417 0.000 1.222 150 P CA -0.153 62.547 63.100 -0.667 0.000 0.767 150 P CB 0.468 31.326 31.700 -1.404 0.000 0.801 151 Q N 3.143 122.817 119.800 -0.208 0.000 2.313 151 Q HA 0.347 4.686 4.340 -0.000 0.000 0.266 151 Q C 0.922 176.886 176.000 -0.060 0.000 0.989 151 Q CA 0.625 56.299 55.803 -0.216 0.000 0.890 151 Q CB -0.249 28.440 28.738 -0.081 0.000 1.200 151 Q HN 0.770 nan 8.270 nan 0.000 0.396 152 G N 3.238 111.990 108.800 -0.080 0.000 2.163 152 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.213 152 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.213 152 G C -0.939 174.012 174.900 0.085 0.000 0.991 152 G CA -0.062 45.076 45.100 0.063 0.000 0.653 152 G HN 0.679 nan 8.290 nan 0.000 0.518 153 W N 1.575 122.675 121.300 -0.334 0.000 2.551 153 W HA 0.696 5.356 4.660 -0.000 0.000 0.330 153 W C 1.041 177.393 176.519 -0.279 0.000 1.063 153 W CA -1.057 56.062 57.345 -0.376 0.000 1.222 153 W CB 1.172 30.242 29.460 -0.651 0.000 1.349 153 W HN -0.027 nan 8.180 nan 0.000 0.536 154 K N 2.501 122.434 120.400 -0.778 0.000 2.059 154 K HA -0.194 4.126 4.320 -0.000 0.000 0.212 154 K C 1.721 177.522 176.600 -1.331 0.000 1.050 154 K CA 2.354 58.147 56.287 -0.823 0.000 0.927 154 K CB -0.696 31.521 32.500 -0.473 0.000 0.714 154 K HN 0.828 nan 8.250 nan 0.000 0.447 155 G N 0.163 107.521 108.800 -2.402 0.000 2.434 155 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.214 155 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.214 155 G C 1.400 175.506 174.900 -1.323 0.000 1.202 155 G CA 1.075 44.723 45.100 -2.419 0.000 0.788 155 G HN 0.433 nan 8.290 nan 0.000 0.539 156 S N 1.595 116.759 115.700 -0.893 0.000 2.545 156 S HA -0.246 4.224 4.470 -0.000 0.000 0.311 156 S C 0.458 174.916 174.600 -0.237 0.000 1.239 156 S CA 2.667 60.623 58.200 -0.407 0.000 1.200 156 S CB -1.154 61.660 63.200 -0.644 0.000 1.217 156 S HN 0.354 nan 8.310 nan 0.000 0.441 157 P HA -0.008 nan 4.420 nan 0.000 0.211 157 P C 1.653 178.938 177.300 -0.025 0.000 1.179 157 P CA 1.880 64.994 63.100 0.025 0.000 0.910 157 P CB -0.364 31.252 31.700 -0.140 0.000 0.785 158 A N -0.792 121.875 122.820 -0.254 0.000 1.940 158 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 158 A C 2.264 179.781 177.584 -0.112 0.000 1.176 158 A CA 1.631 53.534 52.037 -0.223 0.000 0.631 158 A CB -1.713 17.053 19.000 -0.390 0.000 0.814 158 A HN 0.121 nan 8.150 nan 0.000 0.446 159 I N -2.197 118.299 120.570 -0.123 0.000 2.286 159 I HA -0.170 4.000 4.170 -0.000 0.000 0.245 159 I C 2.334 178.509 176.117 0.097 0.000 1.104 159 I CA 1.366 62.679 61.300 0.021 0.000 1.397 159 I CB -0.339 37.709 38.000 0.081 0.000 1.072 159 I HN 0.458 nan 8.210 nan 0.000 0.417 160 F N 1.773 121.766 119.950 0.072 0.000 2.234 160 F HA -0.201 4.326 4.527 -0.000 0.000 0.299 160 F C 2.516 178.302 175.800 -0.024 0.000 1.087 160 F CA 1.462 59.504 58.000 0.070 0.000 1.340 160 F CB -0.151 38.915 39.000 0.111 0.000 1.031 160 F HN 0.032 nan 8.300 nan 0.000 0.500 161 Q N -0.300 119.559 119.800 0.098 0.000 2.079 161 Q HA -0.158 4.182 4.340 -0.000 0.000 0.200 161 Q C 2.366 178.297 176.000 -0.115 0.000 0.974 161 Q CA 1.913 57.709 55.803 -0.011 0.000 0.840 161 Q CB -0.230 28.512 28.738 0.006 0.000 0.898 161 Q HN 0.350 nan 8.270 nan 0.000 0.430 162 S N 0.397 116.045 115.700 -0.088 0.000 2.368 162 S HA -0.106 4.364 4.470 -0.000 0.000 0.224 162 S C 2.129 176.631 174.600 -0.163 0.000 1.029 162 S CA 1.112 59.259 58.200 -0.088 0.000 0.988 162 S CB -0.163 63.016 63.200 -0.035 0.000 0.838 162 S HN 0.257 nan 8.310 nan 0.000 0.462 163 S N 1.818 117.391 115.700 -0.212 0.000 2.365 163 S HA -0.155 4.315 4.470 -0.000 0.000 0.225 163 S C 1.918 176.273 174.600 -0.408 0.000 1.039 163 S CA 1.687 59.713 58.200 -0.290 0.000 1.033 163 S CB -0.399 62.626 63.200 -0.292 0.000 0.887 163 S HN 0.434 nan 8.310 nan 0.000 0.447 164 M N 1.777 121.047 119.600 -0.551 0.000 2.213 164 M HA -0.056 4.424 4.480 -0.000 0.000 0.263 164 M C 1.937 178.070 176.300 -0.278 0.000 1.062 164 M CA 1.543 56.548 55.300 -0.490 0.000 1.105 164 M CB -1.175 31.107 32.600 -0.531 0.000 1.385 164 M HN 0.145 nan 8.290 nan 0.000 0.417 165 T N 0.493 114.918 114.554 -0.215 0.000 2.777 165 T HA -0.111 4.239 4.350 -0.000 0.000 0.266 165 T C 1.780 176.386 174.700 -0.156 0.000 1.040 165 T CA 1.563 63.578 62.100 -0.143 0.000 1.141 165 T CB -0.101 68.708 68.868 -0.097 0.000 0.868 165 T HN 0.447 nan 8.240 nan 0.000 0.444 166 K N 0.490 120.773 120.400 -0.194 0.000 2.148 166 K HA 0.105 4.425 4.320 -0.000 0.000 0.204 166 K C 2.119 178.543 176.600 -0.293 0.000 1.050 166 K CA 0.901 57.063 56.287 -0.208 0.000 0.942 166 K CB -0.175 32.196 32.500 -0.214 0.000 0.724 166 K HN 0.356 nan 8.250 nan 0.000 0.446 167 I N 0.904 121.239 120.570 -0.392 0.000 2.546 167 I HA -0.220 3.950 4.170 -0.000 0.000 0.255 167 I C 1.906 177.890 176.117 -0.221 0.000 1.163 167 I CA 1.027 62.027 61.300 -0.500 0.000 1.457 167 I CB -0.060 37.615 38.000 -0.542 0.000 1.092 167 I HN 0.126 nan 8.210 nan 0.000 0.434 168 L N 0.034 121.150 121.223 -0.179 0.000 2.307 168 L HA -0.074 4.266 4.340 -0.000 0.000 0.211 168 L C 2.380 179.212 176.870 -0.063 0.000 1.099 168 L CA 0.259 55.027 54.840 -0.120 0.000 0.816 168 L CB -0.383 41.621 42.059 -0.092 0.000 0.952 168 L HN 0.150 nan 8.230 nan 0.000 0.455 169 E N 1.609 121.761 120.200 -0.080 0.000 2.110 169 E HA -0.261 4.089 4.350 -0.000 0.000 0.225 169 E C -0.625 175.962 176.600 -0.022 0.000 1.063 169 E CA 2.758 59.126 56.400 -0.053 0.000 0.906 169 E CB -1.431 28.230 29.700 -0.065 0.000 0.795 169 E HN 0.274 nan 8.360 nan 0.000 0.479 170 P HA -0.176 nan 4.420 nan 0.000 0.211 170 P C 1.727 179.029 177.300 0.002 0.000 1.179 170 P CA 1.714 64.842 63.100 0.046 0.000 0.910 170 P CB -0.503 31.296 31.700 0.165 0.000 0.785 171 F N 1.504 121.343 119.950 -0.186 0.000 2.141 171 F HA -0.229 4.298 4.527 -0.000 0.000 0.300 171 F C 2.198 177.909 175.800 -0.149 0.000 1.079 171 F CA 1.968 59.827 58.000 -0.236 0.000 1.264 171 F CB -0.500 38.230 39.000 -0.450 0.000 1.011 171 F HN -0.175 nan 8.300 nan 0.000 0.487 172 K N 0.011 120.373 120.400 -0.063 0.000 2.057 172 K HA -0.196 4.124 4.320 -0.000 0.000 0.206 172 K C 2.175 178.668 176.600 -0.180 0.000 1.050 172 K CA 1.410 57.626 56.287 -0.117 0.000 0.935 172 K CB -0.274 32.204 32.500 -0.036 0.000 0.715 172 K HN 0.201 nan 8.250 nan 0.000 0.439 173 K N 0.715 121.036 120.400 -0.132 0.000 2.211 173 K HA -0.170 4.150 4.320 -0.000 0.000 0.204 173 K C 1.858 178.367 176.600 -0.153 0.000 1.047 173 K CA 1.207 57.426 56.287 -0.113 0.000 0.935 173 K CB 0.247 32.705 32.500 -0.069 0.000 0.728 173 K HN 0.048 nan 8.250 nan 0.000 0.452 174 Q N 0.075 119.735 119.800 -0.233 0.000 2.331 174 Q HA 0.021 4.361 4.340 -0.000 0.000 0.203 174 Q C -0.044 175.767 176.000 -0.315 0.000 0.944 174 Q CA 0.840 56.491 55.803 -0.255 0.000 0.892 174 Q CB 0.338 28.912 28.738 -0.273 0.000 0.983 174 Q HN 0.438 nan 8.270 nan 0.000 0.482 175 N N 1.305 119.755 118.700 -0.418 0.000 2.723 175 N HA 0.142 4.882 4.740 -0.000 0.000 0.290 175 N C -2.251 173.125 175.510 -0.223 0.000 1.882 175 N CA -0.900 51.942 53.050 -0.347 0.000 0.851 175 N CB 1.237 39.413 38.487 -0.518 0.000 1.234 175 N HN 0.008 nan 8.380 nan 0.000 0.491 176 P HA -0.072 nan 4.420 nan 0.000 0.234 176 P C -0.356 176.902 177.300 -0.070 0.000 1.162 176 P CA 1.081 64.121 63.100 -0.101 0.000 0.759 176 P CB 0.224 31.875 31.700 -0.082 0.000 0.813 177 D N -0.018 120.341 120.400 -0.068 0.000 2.894 177 D HA 0.339 4.979 4.640 -0.000 0.000 0.273 177 D C 0.041 176.328 176.300 -0.021 0.000 1.328 177 D CA 0.022 54.001 54.000 -0.035 0.000 0.845 177 D CB -0.060 40.724 40.800 -0.026 0.000 1.072 177 D HN 0.193 nan 8.370 nan 0.000 0.484 178 I N 0.245 120.800 120.570 -0.025 0.000 2.619 178 I HA 0.321 4.491 4.170 -0.000 0.000 0.292 178 I C -0.613 175.511 176.117 0.011 0.000 1.100 178 I CA -1.285 60.015 61.300 0.000 0.000 1.043 178 I CB 2.514 40.516 38.000 0.002 0.000 1.239 178 I HN -0.305 nan 8.210 nan 0.000 0.420 179 V N 6.316 126.256 119.914 0.042 0.000 2.394 179 V HA 0.442 4.562 4.120 -0.000 0.000 0.282 179 V C 0.017 176.162 176.094 0.084 0.000 1.031 179 V CA -0.376 61.955 62.300 0.051 0.000 0.881 179 V CB 1.365 33.274 31.823 0.143 0.000 0.982 179 V HN 0.456 nan 8.190 nan 0.000 0.451 180 I N 5.119 125.698 120.570 0.015 0.000 2.428 180 I HA 0.314 4.484 4.170 -0.000 0.000 0.279 180 I C -0.974 175.161 176.117 0.029 0.000 1.040 180 I CA -0.443 60.890 61.300 0.056 0.000 1.171 180 I CB 0.766 38.785 38.000 0.031 0.000 1.312 180 I HN 0.531 nan 8.210 nan 0.000 0.470 181 Y N 5.412 125.800 120.300 0.146 0.000 2.585 181 Y HA 0.138 4.688 4.550 -0.000 0.000 0.354 181 Y C 0.794 176.808 175.900 0.189 0.000 1.024 181 Y CA -0.233 57.936 58.100 0.115 0.000 1.321 181 Y CB 0.609 39.053 38.460 -0.026 0.000 1.151 181 Y HN 0.509 nan 8.280 nan 0.000 0.525 182 Q N 3.347 123.289 119.800 0.237 0.000 2.303 182 Q HA 0.301 4.641 4.340 -0.000 0.000 0.257 182 Q C -1.850 174.339 176.000 0.314 0.000 0.941 182 Q CA -0.857 55.082 55.803 0.227 0.000 0.931 182 Q CB 1.111 29.910 28.738 0.101 0.000 1.215 182 Q HN 0.621 nan 8.270 nan 0.000 0.437 183 Y N 5.921 126.310 120.300 0.148 0.000 2.526 183 Y HA 0.323 4.873 4.550 -0.000 0.000 0.328 183 Y C 0.187 176.116 175.900 0.048 0.000 0.995 183 Y CA -0.791 57.359 58.100 0.084 0.000 1.304 183 Y CB 0.886 39.373 38.460 0.044 0.000 1.096 183 Y HN 1.105 nan 8.280 nan 0.000 0.499 184 M N 2.238 121.706 119.600 -0.220 0.000 7.319 184 M HA -0.327 4.153 4.480 -0.000 0.000 0.227 184 M C 0.182 176.568 176.300 0.143 0.000 0.480 184 M CA 2.887 58.084 55.300 -0.172 0.000 1.311 184 M CB -1.131 31.195 32.600 -0.456 0.000 0.421 184 M HN 0.659 nan 8.290 nan 0.000 0.321 185 D N -0.647 119.767 120.400 0.024 0.000 2.556 185 D HA 0.215 4.855 4.640 -0.000 0.000 0.237 185 D C -0.392 175.954 176.300 0.078 0.000 1.296 185 D CA 0.147 54.236 54.000 0.150 0.000 0.807 185 D CB -0.320 40.463 40.800 -0.028 0.000 1.084 185 D HN 0.659 nan 8.370 nan 0.000 0.510 186 D N 1.532 121.987 120.400 0.092 0.000 2.380 186 D HA 0.207 4.847 4.640 -0.000 0.000 0.230 186 D C -0.456 175.972 176.300 0.214 0.000 1.154 186 D CA -0.282 53.804 54.000 0.143 0.000 0.859 186 D CB 0.977 41.884 40.800 0.177 0.000 1.045 186 D HN 0.168 nan 8.370 nan 0.000 0.495 187 L N 5.120 126.432 121.223 0.148 0.000 2.280 187 L HA 0.242 4.581 4.340 -0.000 0.000 0.287 187 L C -0.437 176.503 176.870 0.117 0.000 1.023 187 L CA -1.122 53.801 54.840 0.138 0.000 0.819 187 L CB 0.997 43.080 42.059 0.040 0.000 1.212 187 L HN 0.390 nan 8.230 nan 0.000 0.420 188 Y N 4.734 125.046 120.300 0.020 0.000 2.335 188 Y HA 0.601 5.151 4.550 -0.000 0.000 0.339 188 Y C -0.894 174.929 175.900 -0.129 0.000 0.987 188 Y CA -0.789 57.211 58.100 -0.166 0.000 1.140 188 Y CB 1.252 39.450 38.460 -0.437 0.000 1.173 188 Y HN 0.248 nan 8.280 nan 0.000 0.486 189 V N 5.968 125.527 119.914 -0.591 0.000 2.555 189 V HA 0.881 5.000 4.120 -0.000 0.000 0.302 189 V C 0.122 175.842 176.094 -0.623 0.000 1.038 189 V CA -0.322 61.732 62.300 -0.410 0.000 0.887 189 V CB 1.455 33.136 31.823 -0.235 0.000 0.991 189 V HN 1.043 nan 8.190 nan 0.000 0.434 190 G N 2.136 110.742 108.800 -0.324 0.000 2.706 190 G HA2 0.766 4.726 3.960 -0.000 0.000 0.297 190 G HA3 0.766 4.726 3.960 -0.000 0.000 0.297 190 G C -0.954 173.970 174.900 0.040 0.000 1.403 190 G CA -0.055 44.943 45.100 -0.170 0.000 0.954 190 G HN 1.141 nan 8.290 nan 0.000 0.500 191 S N -0.267 115.506 115.700 0.122 0.000 2.567 191 S HA 0.424 4.894 4.470 -0.000 0.000 0.270 191 S C -1.277 173.390 174.600 0.111 0.000 1.152 191 S CA -0.765 57.502 58.200 0.112 0.000 0.835 191 S CB 2.052 65.317 63.200 0.109 0.000 1.115 191 S HN 0.322 nan 8.310 nan 0.000 0.459 192 D N 1.632 122.079 120.400 0.078 0.000 2.676 192 D HA 0.305 4.945 4.640 -0.000 0.000 0.239 192 D C 0.285 176.623 176.300 0.064 0.000 1.213 192 D CA 0.172 54.208 54.000 0.061 0.000 0.835 192 D CB -0.254 40.573 40.800 0.045 0.000 1.009 192 D HN 0.415 nan 8.370 nan 0.000 0.479 193 L N 0.036 121.320 121.223 0.102 0.000 2.416 193 L HA 0.289 4.629 4.340 -0.000 0.000 0.263 193 L C 0.952 177.871 176.870 0.081 0.000 1.065 193 L CA -0.971 53.928 54.840 0.099 0.000 0.798 193 L CB 0.803 42.942 42.059 0.135 0.000 1.267 193 L HN -0.216 nan 8.230 nan 0.000 0.467 194 E N 0.954 121.197 120.200 0.071 0.000 2.289 194 E HA 0.107 4.457 4.350 -0.000 0.000 0.278 194 E C 1.140 177.780 176.600 0.067 0.000 1.032 194 E CA -0.368 56.063 56.400 0.051 0.000 0.854 194 E CB 1.272 30.997 29.700 0.042 0.000 1.046 194 E HN 0.396 nan 8.360 nan 0.000 0.409 195 I N 2.378 122.964 120.570 0.026 0.000 2.442 195 I HA -0.315 3.855 4.170 -0.000 0.000 0.261 195 I C 1.670 177.839 176.117 0.086 0.000 1.132 195 I CA 1.770 63.084 61.300 0.022 0.000 1.412 195 I CB -1.356 36.647 38.000 0.005 0.000 1.091 195 I HN 0.556 nan 8.210 nan 0.000 0.448 196 G N 0.318 109.165 108.800 0.078 0.000 2.572 196 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.214 196 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.214 196 G C 1.324 176.280 174.900 0.093 0.000 1.246 196 G CA 0.267 45.413 45.100 0.076 0.000 0.835 196 G HN 0.433 nan 8.290 nan 0.000 0.551 197 Q N -0.420 119.429 119.800 0.081 0.000 2.325 197 Q HA -0.225 4.115 4.340 -0.000 0.000 0.211 197 Q C 2.055 178.107 176.000 0.086 0.000 0.988 197 Q CA 1.631 57.476 55.803 0.070 0.000 0.887 197 Q CB -0.288 28.484 28.738 0.057 0.000 0.915 197 Q HN 0.764 nan 8.270 nan 0.000 0.440 198 H N 0.492 119.575 119.070 0.022 0.000 2.268 198 H HA -0.004 4.552 4.556 -0.000 0.000 0.304 198 H C 1.952 177.293 175.328 0.021 0.000 1.064 198 H CA 1.281 57.339 56.048 0.018 0.000 1.316 198 H CB 0.250 30.017 29.762 0.010 0.000 1.386 198 H HN -0.093 nan 8.280 nan 0.000 0.496 199 R N -0.109 120.507 120.500 0.193 0.000 2.133 199 R HA -0.104 4.236 4.340 -0.000 0.000 0.247 199 R C 2.350 178.678 176.300 0.046 0.000 1.151 199 R CA 1.843 58.010 56.100 0.111 0.000 0.971 199 R CB -1.078 29.285 30.300 0.105 0.000 0.866 199 R HN 0.420 nan 8.270 nan 0.000 0.447 200 T N 0.136 114.718 114.554 0.046 0.000 2.962 200 T HA -0.071 4.279 4.350 -0.000 0.000 0.270 200 T C 1.524 176.243 174.700 0.031 0.000 1.088 200 T CA 1.187 63.309 62.100 0.037 0.000 1.127 200 T CB -0.025 68.867 68.868 0.039 0.000 0.883 200 T HN 0.039 nan 8.240 nan 0.000 0.493 201 K N 0.778 121.178 120.400 0.000 0.000 2.108 201 K HA 0.261 4.581 4.320 -0.000 0.000 0.204 201 K C 2.055 178.647 176.600 -0.014 0.000 1.036 201 K CA 0.157 56.459 56.287 0.025 0.000 0.965 201 K CB -0.562 31.920 32.500 -0.030 0.000 0.804 201 K HN 0.045 nan 8.250 nan 0.000 0.454 202 I N 1.791 122.286 120.570 -0.125 0.000 2.113 202 I HA -0.325 3.845 4.170 -0.000 0.000 0.242 202 I C 2.120 178.190 176.117 -0.077 0.000 1.057 202 I CA 1.721 62.943 61.300 -0.131 0.000 1.314 202 I CB -0.880 37.071 38.000 -0.082 0.000 1.022 202 I HN 0.307 nan 8.210 nan 0.000 0.408 203 E N 1.022 121.208 120.200 -0.024 0.000 2.023 203 E HA -0.273 4.077 4.350 -0.000 0.000 0.196 203 E C 2.115 178.716 176.600 0.001 0.000 1.003 203 E CA 1.847 58.246 56.400 -0.002 0.000 0.809 203 E CB -0.427 29.285 29.700 0.021 0.000 0.755 203 E HN 0.443 nan 8.360 nan 0.000 0.449 204 E N -0.422 119.798 120.200 0.034 0.000 2.301 204 E HA -0.247 4.103 4.350 -0.000 0.000 0.202 204 E C 2.073 178.705 176.600 0.053 0.000 1.017 204 E CA 1.267 57.720 56.400 0.088 0.000 0.831 204 E CB -0.209 29.586 29.700 0.158 0.000 0.742 204 E HN 0.376 nan 8.360 nan 0.000 0.491 205 L N -0.200 120.944 121.223 -0.132 0.000 2.130 205 L HA 0.019 4.359 4.340 -0.000 0.000 0.200 205 L C 2.487 179.251 176.870 -0.178 0.000 1.075 205 L CA 0.669 55.241 54.840 -0.447 0.000 0.768 205 L CB -0.094 41.484 42.059 -0.800 0.000 0.933 205 L HN -0.068 nan 8.230 nan 0.000 0.451 206 R N -0.278 120.157 120.500 -0.108 0.000 2.117 206 R HA -0.227 4.113 4.340 -0.000 0.000 0.243 206 R C 2.153 178.466 176.300 0.021 0.000 1.143 206 R CA 2.188 58.268 56.100 -0.033 0.000 0.968 206 R CB -0.318 29.971 30.300 -0.018 0.000 0.863 206 R HN 0.569 nan 8.270 nan 0.000 0.444 207 Q N -1.148 118.672 119.800 0.033 0.000 2.378 207 Q HA -0.114 4.226 4.340 -0.000 0.000 0.205 207 Q C 1.767 177.819 176.000 0.086 0.000 0.954 207 Q CA 0.708 56.542 55.803 0.051 0.000 0.901 207 Q CB 0.045 28.812 28.738 0.048 0.000 0.981 207 Q HN 0.461 nan 8.270 nan 0.000 0.483 208 H N 0.713 119.795 119.070 0.020 0.000 2.465 208 H HA 0.080 4.636 4.556 -0.000 0.000 0.289 208 H C 1.625 177.069 175.328 0.194 0.000 1.022 208 H CA 0.753 56.860 56.048 0.098 0.000 1.340 208 H CB 0.331 30.137 29.762 0.074 0.000 1.437 208 H HN 0.226 nan 8.280 nan 0.000 0.539 209 L N 0.111 121.507 121.223 0.287 0.000 2.127 209 L HA -0.098 4.242 4.340 -0.000 0.000 0.203 209 L C 2.682 179.668 176.870 0.193 0.000 1.080 209 L CA 0.432 55.432 54.840 0.267 0.000 0.768 209 L CB -0.389 41.752 42.059 0.138 0.000 0.924 209 L HN 0.170 nan 8.230 nan 0.000 0.444 210 L N 1.190 122.479 121.223 0.109 0.000 2.043 210 L HA -0.245 4.095 4.340 -0.000 0.000 0.212 210 L C 2.981 179.871 176.870 0.033 0.000 1.075 210 L CA 2.449 57.330 54.840 0.068 0.000 0.752 210 L CB -0.892 41.191 42.059 0.040 0.000 0.891 210 L HN 0.188 nan 8.230 nan 0.000 0.432 211 R N -1.320 119.170 120.500 -0.017 0.000 2.193 211 R HA -0.182 4.158 4.340 -0.000 0.000 0.229 211 R C 1.683 177.832 176.300 -0.250 0.000 1.110 211 R CA 1.829 57.831 56.100 -0.163 0.000 0.988 211 R CB -2.050 28.096 30.300 -0.257 0.000 0.871 211 R HN 0.762 nan 8.270 nan 0.000 0.458 212 W N -1.614 119.639 121.300 -0.079 0.000 3.220 212 W HA 0.387 5.047 4.660 -0.000 0.000 0.328 212 W C 1.489 178.007 176.519 -0.002 0.000 1.205 212 W CA 0.525 57.840 57.345 -0.050 0.000 1.773 212 W CB 0.942 30.371 29.460 -0.052 0.000 1.086 212 W HN 0.531 nan 8.180 nan 0.000 0.622 213 G N -0.351 108.569 108.800 0.199 0.000 2.213 213 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.226 213 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.226 213 G C -0.123 174.878 174.900 0.169 0.000 0.992 213 G CA -0.462 44.738 45.100 0.167 0.000 0.632 213 G HN -0.042 nan 8.290 nan 0.000 0.511 214 L N 2.653 123.984 121.223 0.180 0.000 2.283 214 L HA 0.479 4.819 4.340 -0.000 0.000 0.287 214 L C 1.087 178.027 176.870 0.116 0.000 1.073 214 L CA 0.602 55.535 54.840 0.155 0.000 0.822 214 L CB 0.300 42.444 42.059 0.142 0.000 1.186 214 L HN 0.359 nan 8.230 nan 0.000 0.436 215 T N 0.858 115.475 114.554 0.105 0.000 2.761 215 T HA 0.268 4.618 4.350 -0.000 0.000 0.296 215 T C 0.628 175.368 174.700 0.066 0.000 0.934 215 T CA -0.470 61.678 62.100 0.079 0.000 1.091 215 T CB 0.221 69.135 68.868 0.077 0.000 0.896 215 T HN 0.652 nan 8.240 nan 0.000 0.515 216 T N 4.031 118.616 114.554 0.053 0.000 3.471 216 T HA 0.436 4.786 4.350 -0.000 0.000 0.355 216 T C -2.348 172.377 174.700 0.042 0.000 1.775 216 T CA -1.564 60.560 62.100 0.041 0.000 1.305 216 T CB -0.309 68.574 68.868 0.025 0.000 1.171 216 T HN 0.458 nan 8.240 nan 0.000 0.776 217 P HA -0.019 nan 4.420 nan 0.000 0.272 217 P C 0.203 177.536 177.300 0.054 0.000 1.225 217 P CA -0.098 63.031 63.100 0.048 0.000 0.800 217 P CB 0.430 32.158 31.700 0.047 0.000 0.894 218 D N 1.177 121.610 120.400 0.055 0.000 2.994 218 D HA 0.016 4.656 4.640 -0.000 0.000 0.240 218 D C 0.201 176.547 176.300 0.077 0.000 1.195 218 D CA 0.362 54.400 54.000 0.063 0.000 0.957 218 D CB -0.168 40.664 40.800 0.054 0.000 1.105 218 D HN 0.414 nan 8.370 nan 0.000 0.477 219 K N 0.329 120.786 120.400 0.094 0.000 3.165 219 K HA 0.186 4.506 4.320 -0.000 0.000 0.206 219 K C -0.437 176.278 176.600 0.193 0.000 1.123 219 K CA -0.791 55.573 56.287 0.128 0.000 0.978 219 K CB 0.207 32.767 32.500 0.101 0.000 0.749 219 K HN -0.142 nan 8.250 nan 0.000 0.454 220 K N 0.458 120.973 120.400 0.192 0.000 2.323 220 K HA 0.326 4.646 4.320 -0.000 0.000 0.259 220 K C -0.998 175.797 176.600 0.325 0.000 0.947 220 K CA -0.593 55.810 56.287 0.192 0.000 0.819 220 K CB 0.561 33.109 32.500 0.081 0.000 1.109 220 K HN 0.189 nan 8.250 nan 0.000 0.429 221 H N 2.257 121.415 119.070 0.147 0.000 2.690 221 H HA 0.175 4.731 4.556 -0.000 0.000 0.314 221 H C -0.614 174.891 175.328 0.295 0.000 1.069 221 H CA -1.004 55.211 56.048 0.279 0.000 1.436 221 H CB 0.941 31.029 29.762 0.543 0.000 1.462 221 H HN 0.680 nan 8.280 nan 0.000 0.511 222 Q N 1.831 121.872 119.800 0.401 0.000 2.337 222 Q HA 0.308 4.648 4.340 -0.000 0.000 0.270 222 Q C -0.665 175.507 176.000 0.287 0.000 1.043 222 Q CA -1.460 54.519 55.803 0.293 0.000 0.794 222 Q CB 2.299 31.138 28.738 0.169 0.000 1.281 222 Q HN 0.587 nan 8.270 nan 0.000 0.446 223 K N 0.964 121.546 120.400 0.304 0.000 3.078 223 K HA -0.264 4.056 4.320 -0.000 0.000 0.261 223 K C -0.508 176.109 176.600 0.029 0.000 0.947 223 K CA 1.341 57.721 56.287 0.154 0.000 0.702 223 K CB -1.167 31.380 32.500 0.078 0.000 1.318 223 K HN 0.756 nan 8.250 nan 0.000 0.473 224 E N -0.199 119.955 120.200 -0.078 0.000 2.869 224 E HA 0.078 4.428 4.350 -0.000 0.000 0.207 224 E C -2.322 173.862 176.600 -0.693 0.000 0.986 224 E CA -1.480 54.763 56.400 -0.262 0.000 1.131 224 E CB 0.591 30.287 29.700 -0.008 0.000 1.098 224 E HN 0.306 nan 8.360 nan 0.000 0.459 225 P HA 0.014 nan 4.420 nan 0.000 0.266 225 P C -2.557 174.525 177.300 -0.363 0.000 1.193 225 P CA -0.880 61.736 63.100 -0.808 0.000 0.770 225 P CB -0.070 31.363 31.700 -0.445 0.000 0.836 226 P HA 0.191 nan 4.420 nan 0.000 0.271 226 P C -0.543 176.648 177.300 -0.183 0.000 1.233 226 P CA 0.293 63.153 63.100 -0.400 0.000 0.764 226 P CB -0.102 31.388 31.700 -0.351 0.000 0.825 227 F N 2.775 122.784 119.950 0.098 0.000 2.467 227 F HA 0.173 4.700 4.527 -0.000 0.000 0.362 227 F C 0.968 176.973 175.800 0.343 0.000 1.090 227 F CA -0.614 57.572 58.000 0.311 0.000 1.202 227 F CB 0.461 39.622 39.000 0.268 0.000 1.113 227 F HN 0.063 nan 8.300 nan 0.000 0.541 228 L N 4.762 126.385 121.223 0.668 0.000 2.358 228 L HA 0.153 4.493 4.340 -0.000 0.000 0.274 228 L C -0.923 176.264 176.870 0.529 0.000 1.136 228 L CA -0.219 54.919 54.840 0.497 0.000 0.970 228 L CB -0.158 42.105 42.059 0.341 0.000 1.314 228 L HN 0.627 nan 8.230 nan 0.000 0.427 229 W N 5.754 127.210 121.300 0.260 0.000 2.587 229 W HA 0.440 5.100 4.660 -0.000 0.000 0.324 229 W C 0.375 176.993 176.519 0.166 0.000 1.040 229 W CA -0.861 56.578 57.345 0.156 0.000 1.222 229 W CB 1.185 30.695 29.460 0.083 0.000 1.381 229 W HN 0.262 nan 8.180 nan 0.000 0.483 230 M N 5.658 124.881 119.600 -0.627 0.000 2.436 230 M HA -0.238 4.242 4.480 -0.000 0.000 0.197 230 M C 1.092 177.257 176.300 -0.225 0.000 0.442 230 M CA 1.925 56.800 55.300 -0.708 0.000 0.473 230 M CB -2.304 29.321 32.600 -1.626 0.000 1.685 230 M HN 1.448 nan 8.290 nan 0.000 0.835 231 G N -1.962 106.781 108.800 -0.095 0.000 2.175 231 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.244 231 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.244 231 G C -0.241 174.604 174.900 -0.091 0.000 0.982 231 G CA 0.476 45.505 45.100 -0.118 0.000 0.641 231 G HN 0.558 nan 8.290 nan 0.000 0.527 232 Y N -0.103 120.260 120.300 0.106 0.000 2.675 232 Y HA 0.723 5.273 4.550 -0.000 0.000 0.328 232 Y C 0.594 176.658 175.900 0.274 0.000 1.092 232 Y CA -1.250 56.982 58.100 0.220 0.000 1.190 232 Y CB 1.122 39.692 38.460 0.183 0.000 1.350 232 Y HN 0.067 nan 8.280 nan 0.000 0.525 233 E N 1.596 122.101 120.200 0.508 0.000 2.279 233 E HA 0.369 4.719 4.350 -0.000 0.000 0.252 233 E C -1.629 175.167 176.600 0.327 0.000 0.894 233 E CA -0.369 56.226 56.400 0.326 0.000 0.785 233 E CB 1.380 31.200 29.700 0.198 0.000 1.237 233 E HN 0.398 nan 8.360 nan 0.000 0.418 234 L N 3.640 125.071 121.223 0.347 0.000 2.281 234 L HA 0.357 4.697 4.340 -0.000 0.000 0.285 234 L C -0.114 176.886 176.870 0.218 0.000 1.074 234 L CA -0.326 54.768 54.840 0.424 0.000 0.817 234 L CB 0.037 42.379 42.059 0.472 0.000 1.168 234 L HN 0.451 nan 8.230 nan 0.000 0.434 235 H N 3.437 122.721 119.070 0.358 0.000 2.472 235 H HA 0.229 4.785 4.556 -0.000 0.000 0.338 235 H C -1.634 173.808 175.328 0.190 0.000 1.133 235 H CA -1.398 54.758 56.048 0.180 0.000 1.216 235 H CB 1.527 31.334 29.762 0.076 0.000 1.497 235 H HN 0.315 nan 8.280 nan 0.000 0.500 236 P HA -0.281 nan 4.420 nan 0.000 0.219 236 P C 0.502 177.899 177.300 0.161 0.000 1.161 236 P CA 1.794 65.036 63.100 0.237 0.000 0.909 236 P CB 0.343 32.126 31.700 0.139 0.000 0.793 237 D N -2.216 118.195 120.400 0.019 0.000 2.338 237 D HA 0.096 4.736 4.640 -0.000 0.000 0.208 237 D C 1.158 177.256 176.300 -0.335 0.000 0.997 237 D CA 0.931 54.864 54.000 -0.112 0.000 0.880 237 D CB 0.320 41.077 40.800 -0.073 0.000 0.980 237 D HN 0.239 nan 8.370 nan 0.000 0.509 238 K N 0.788 121.019 120.400 -0.281 0.000 2.466 238 K HA 0.576 4.896 4.320 -0.000 0.000 0.277 238 K C -1.698 174.949 176.600 0.078 0.000 1.039 238 K CA -1.018 55.104 56.287 -0.275 0.000 0.904 238 K CB 1.574 33.977 32.500 -0.161 0.000 1.506 238 K HN 0.219 nan 8.250 nan 0.000 0.441 239 W N 0.558 121.917 121.300 0.098 0.000 2.936 239 W HA 0.723 5.383 4.660 -0.000 0.000 0.338 239 W C -0.675 176.026 176.519 0.303 0.000 1.121 239 W CA -0.445 57.083 57.345 0.305 0.000 1.209 239 W CB 1.035 30.727 29.460 0.386 0.000 1.420 239 W HN 0.916 nan 8.180 nan 0.000 0.516 240 T N 0.992 115.942 114.554 0.660 0.000 2.863 240 T HA 0.400 4.750 4.350 -0.000 0.000 0.285 240 T C -1.079 173.963 174.700 0.569 0.000 1.009 240 T CA -0.465 61.895 62.100 0.434 0.000 0.989 240 T CB 1.914 70.991 68.868 0.347 0.000 1.004 240 T HN 0.622 nan 8.240 nan 0.000 0.455 241 V N 5.949 126.088 119.914 0.376 0.000 2.455 241 V HA 0.362 4.482 4.120 -0.000 0.000 0.273 241 V C 0.529 176.742 176.094 0.198 0.000 1.045 241 V CA -0.275 62.171 62.300 0.244 0.000 0.976 241 V CB 0.369 32.190 31.823 -0.004 0.000 0.993 241 V HN 1.058 nan 8.190 nan 0.000 0.475 242 Q N 8.283 128.196 119.800 0.189 0.000 2.368 242 Q HA 0.066 4.406 4.340 -0.000 0.000 0.331 242 Q C -1.961 174.151 176.000 0.186 0.000 1.086 242 Q CA -0.674 55.234 55.803 0.176 0.000 1.031 242 Q CB 0.139 28.955 28.738 0.130 0.000 1.125 242 Q HN 0.670 nan 8.270 nan 0.000 0.389 243 P HA -0.181 nan 4.420 nan 0.000 0.261 243 P C -0.763 176.636 177.300 0.165 0.000 1.158 243 P CA 1.008 64.201 63.100 0.156 0.000 0.758 243 P CB 0.274 32.043 31.700 0.115 0.000 0.763 244 I N 4.243 124.930 120.570 0.194 0.000 2.355 244 I HA 0.240 4.410 4.170 -0.000 0.000 0.288 244 I C -0.434 175.762 176.117 0.131 0.000 0.999 244 I CA -1.176 60.244 61.300 0.200 0.000 1.163 244 I CB 1.376 39.556 38.000 0.301 0.000 1.316 244 I HN 0.051 nan 8.210 nan 0.000 0.454 245 V N 7.420 127.392 119.914 0.097 0.000 2.275 245 V HA 0.377 4.497 4.120 -0.000 0.000 0.272 245 V C 0.082 176.219 176.094 0.071 0.000 1.028 245 V CA -0.812 61.530 62.300 0.070 0.000 0.810 245 V CB 0.570 32.422 31.823 0.049 0.000 1.043 245 V HN 0.704 nan 8.190 nan 0.000 0.453 246 L N 2.737 124.010 121.223 0.083 0.000 2.380 246 L HA 0.672 5.012 4.340 -0.000 0.000 0.273 246 L C -2.243 174.698 176.870 0.119 0.000 1.138 246 L CA -1.521 53.383 54.840 0.107 0.000 0.832 246 L CB 0.164 42.292 42.059 0.114 0.000 1.124 246 L HN 0.312 nan 8.230 nan 0.000 0.454 247 P HA 0.056 nan 4.420 nan 0.000 0.263 247 P C -0.460 176.950 177.300 0.182 0.000 1.195 247 P CA 0.062 63.209 63.100 0.079 0.000 0.762 247 P CB 0.409 32.130 31.700 0.035 0.000 0.799 248 E N 1.947 122.193 120.200 0.075 0.000 2.585 248 E HA 0.138 4.488 4.350 -0.000 0.000 0.206 248 E C -0.346 176.232 176.600 -0.037 0.000 1.007 248 E CA -0.693 55.818 56.400 0.185 0.000 1.028 248 E CB 0.034 29.815 29.700 0.135 0.000 1.087 248 E HN 0.306 nan 8.360 nan 0.000 0.455 249 K N 1.904 122.011 120.400 -0.488 0.000 2.591 249 K HA -0.123 4.197 4.320 -0.000 0.000 0.280 249 K C 0.364 176.619 176.600 -0.575 0.000 0.964 249 K CA 0.823 56.719 56.287 -0.651 0.000 1.014 249 K CB 0.425 32.387 32.500 -0.896 0.000 0.877 249 K HN 0.259 nan 8.250 nan 0.000 0.502 250 D N 0.257 120.473 120.400 -0.308 0.000 2.097 250 D HA -0.138 4.502 4.640 -0.000 0.000 0.195 250 D C 0.111 176.352 176.300 -0.099 0.000 0.989 250 D CA 1.041 54.963 54.000 -0.130 0.000 0.827 250 D CB -0.001 40.749 40.800 -0.083 0.000 0.966 250 D HN 0.363 nan 8.370 nan 0.000 0.456 251 S N -0.901 114.686 115.700 -0.187 0.000 2.566 251 S HA 0.449 4.918 4.470 -0.000 0.000 0.324 251 S C -1.048 173.458 174.600 -0.157 0.000 1.081 251 S CA -1.048 57.113 58.200 -0.065 0.000 1.105 251 S CB 0.243 63.422 63.200 -0.036 0.000 0.981 251 S HN 0.198 nan 8.310 nan 0.000 0.464 252 W N 2.469 123.767 121.300 -0.005 0.000 2.272 252 W HA 0.506 5.166 4.660 -0.000 0.000 0.318 252 W C 1.111 177.628 176.519 -0.004 0.000 1.255 252 W CA -0.146 57.197 57.345 -0.004 0.000 1.200 252 W CB 1.069 30.526 29.460 -0.003 0.000 1.170 252 W HN 0.742 nan 8.180 nan 0.000 0.549 253 T N 0.418 115.076 114.554 0.174 0.000 2.932 253 T HA 0.258 4.608 4.350 -0.000 0.000 0.289 253 T C 0.621 175.403 174.700 0.137 0.000 1.039 253 T CA -0.682 61.484 62.100 0.110 0.000 1.024 253 T CB 1.709 70.600 68.868 0.037 0.000 1.090 253 T HN 0.383 nan 8.240 nan 0.000 0.496 254 V N 2.523 122.493 119.914 0.094 0.000 2.233 254 V HA -0.244 3.876 4.120 -0.000 0.000 0.252 254 V C 2.506 178.651 176.094 0.085 0.000 1.063 254 V CA 2.965 65.314 62.300 0.080 0.000 1.032 254 V CB -1.034 30.819 31.823 0.051 0.000 0.645 254 V HN 1.056 nan 8.190 nan 0.000 0.446 255 N N -0.331 118.408 118.700 0.066 0.000 2.166 255 N HA -0.188 4.552 4.740 -0.000 0.000 0.186 255 N C 1.631 177.190 175.510 0.082 0.000 1.019 255 N CA 2.008 55.092 53.050 0.057 0.000 0.856 255 N CB -0.491 38.015 38.487 0.031 0.000 0.993 255 N HN 0.657 nan 8.380 nan 0.000 0.426 256 D N 0.665 121.128 120.400 0.105 0.000 2.218 256 D HA -0.104 4.536 4.640 -0.000 0.000 0.204 256 D C 2.011 178.491 176.300 0.300 0.000 0.976 256 D CA 0.522 54.608 54.000 0.142 0.000 0.853 256 D CB 0.140 40.976 40.800 0.060 0.000 0.939 256 D HN 0.446 nan 8.370 nan 0.000 0.481 257 I N 0.866 121.609 120.570 0.287 0.000 2.179 257 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 257 I C 2.603 178.798 176.117 0.131 0.000 1.088 257 I CA 0.737 62.164 61.300 0.212 0.000 1.357 257 I CB -0.473 37.590 38.000 0.105 0.000 1.051 257 I HN 0.073 nan 8.210 nan 0.000 0.409 258 C N 0.616 119.975 119.300 0.099 0.000 2.403 258 C HA -0.198 4.262 4.460 -0.000 0.000 0.282 258 C C 2.692 177.726 174.990 0.074 0.000 1.297 258 C CA 0.920 59.979 59.018 0.069 0.000 1.785 258 C CB -1.180 26.591 27.740 0.051 0.000 1.963 258 C HN 0.434 nan 8.230 nan 0.000 0.507 259 K N -0.390 120.067 120.400 0.096 0.000 2.432 259 K HA 0.031 4.351 4.320 -0.000 0.000 0.196 259 K C 1.660 178.330 176.600 0.118 0.000 1.038 259 K CA 0.506 56.845 56.287 0.086 0.000 0.986 259 K CB 0.030 32.575 32.500 0.075 0.000 0.782 259 K HN 0.422 nan 8.250 nan 0.000 0.485 260 L N -0.973 120.339 121.223 0.148 0.000 2.433 260 L HA 0.061 4.401 4.340 -0.000 0.000 0.200 260 L C 1.784 178.698 176.870 0.074 0.000 1.059 260 L CA 0.386 55.307 54.840 0.136 0.000 0.835 260 L CB -0.096 42.064 42.059 0.168 0.000 1.076 260 L HN -0.073 nan 8.230 nan 0.000 0.481 261 V N 0.026 119.969 119.914 0.049 0.000 2.282 261 V HA -0.204 3.916 4.120 -0.000 0.000 0.249 261 V C 2.171 178.303 176.094 0.063 0.000 1.057 261 V CA 2.401 64.720 62.300 0.032 0.000 1.032 261 V CB -0.931 30.905 31.823 0.021 0.000 0.645 261 V HN 0.570 nan 8.190 nan 0.000 0.447 262 G N -0.669 108.174 108.800 0.073 0.000 2.552 262 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.216 262 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.216 262 G C 1.626 176.606 174.900 0.132 0.000 1.240 262 G CA 0.980 46.133 45.100 0.088 0.000 0.796 262 G HN 0.492 nan 8.290 nan 0.000 0.568 263 K N -0.073 120.404 120.400 0.128 0.000 2.144 263 K HA -0.125 4.195 4.320 -0.000 0.000 0.209 263 K C 2.590 179.327 176.600 0.229 0.000 1.047 263 K CA 1.182 57.582 56.287 0.189 0.000 0.927 263 K CB -0.385 32.203 32.500 0.147 0.000 0.716 263 K HN 0.313 nan 8.250 nan 0.000 0.454 264 L N 0.936 122.248 121.223 0.148 0.000 2.017 264 L HA -0.250 4.090 4.340 -0.000 0.000 0.208 264 L C 2.189 179.141 176.870 0.137 0.000 1.073 264 L CA 1.107 56.017 54.840 0.117 0.000 0.745 264 L CB -0.597 41.499 42.059 0.061 0.000 0.894 264 L HN 0.237 nan 8.230 nan 0.000 0.432 265 N N -0.171 118.616 118.700 0.145 0.000 2.007 265 N HA -0.304 4.436 4.740 -0.000 0.000 0.197 265 N C 1.571 177.195 175.510 0.191 0.000 1.050 265 N CA 1.896 55.037 53.050 0.151 0.000 0.856 265 N CB -0.698 37.883 38.487 0.157 0.000 1.050 265 N HN 0.531 nan 8.380 nan 0.000 0.423 266 W N 1.863 123.195 121.300 0.053 0.000 2.276 266 W HA -0.306 4.354 4.660 -0.000 0.000 0.307 266 W C 1.752 178.315 176.519 0.073 0.000 1.240 266 W CA 2.022 59.392 57.345 0.042 0.000 1.249 266 W CB -0.157 29.311 29.460 0.012 0.000 1.140 266 W HN 0.092 nan 8.180 nan 0.000 0.519 267 A N -0.183 122.628 122.820 -0.016 0.000 2.123 267 A HA -0.047 4.273 4.320 -0.000 0.000 0.214 267 A C 1.879 179.466 177.584 0.006 0.000 1.152 267 A CA 1.229 53.247 52.037 -0.032 0.000 0.728 267 A CB -0.840 18.327 19.000 0.278 0.000 0.814 267 A HN 0.240 nan 8.150 nan 0.000 0.464 268 S N 0.702 116.417 115.700 0.025 0.000 2.465 268 S HA -0.226 4.244 4.470 -0.000 0.000 0.241 268 S C 1.913 176.492 174.600 -0.035 0.000 1.000 268 S CA 1.455 59.664 58.200 0.016 0.000 0.964 268 S CB -0.361 62.861 63.200 0.036 0.000 0.763 268 S HN 0.922 nan 8.310 nan 0.000 0.512 269 Q N 0.020 119.784 119.800 -0.061 0.000 2.435 269 Q HA 0.167 4.507 4.340 -0.000 0.000 0.207 269 Q C 1.666 177.682 176.000 0.027 0.000 0.956 269 Q CA 0.783 56.589 55.803 0.005 0.000 0.917 269 Q CB -0.097 28.655 28.738 0.024 0.000 0.997 269 Q HN 0.569 nan 8.270 nan 0.000 0.497 270 I N -1.585 118.908 120.570 -0.128 0.000 4.193 270 I HA 0.190 4.360 4.170 -0.000 0.000 0.287 270 I C -0.704 175.234 176.117 -0.299 0.000 1.175 270 I CA -0.392 60.761 61.300 -0.245 0.000 1.320 270 I CB 0.751 38.473 38.000 -0.463 0.000 1.523 270 I HN -0.046 nan 8.210 nan 0.000 0.450 271 Y N 3.989 124.234 120.300 -0.092 0.000 2.436 271 Y HA 0.395 4.945 4.550 -0.000 0.000 0.336 271 Y C -2.102 173.746 175.900 -0.086 0.000 1.049 271 Y CA -2.910 55.136 58.100 -0.090 0.000 1.294 271 Y CB -0.689 37.728 38.460 -0.073 0.000 1.179 271 Y HN 0.085 nan 8.280 nan 0.000 0.520 272 P HA 0.029 nan 4.420 nan 0.000 0.265 272 P C 0.087 177.390 177.300 0.006 0.000 1.193 272 P CA 0.450 63.551 63.100 0.002 0.000 0.765 272 P CB 0.594 32.285 31.700 -0.015 0.000 0.823 273 G N 4.109 112.902 108.800 -0.013 0.000 2.381 273 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.206 273 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.206 273 G C 0.062 174.962 174.900 -0.000 0.000 0.274 273 G CA -0.353 44.745 45.100 -0.003 0.000 1.035 273 G HN 0.494 nan 8.290 nan 0.000 0.449 274 I N 3.013 123.587 120.570 0.007 0.000 3.137 274 I HA 0.120 4.290 4.170 -0.000 0.000 0.343 274 I C 0.980 177.098 176.117 0.001 0.000 1.394 274 I CA -0.759 60.544 61.300 0.005 0.000 0.952 274 I CB -0.003 38.015 38.000 0.029 0.000 1.921 274 I HN 0.476 nan 8.210 nan 0.000 0.530 275 K N 0.892 121.288 120.400 -0.008 0.000 2.472 275 K HA -0.005 4.315 4.320 -0.000 0.000 0.269 275 K C 0.791 177.379 176.600 -0.020 0.000 1.056 275 K CA 0.191 56.469 56.287 -0.014 0.000 1.158 275 K CB 1.030 33.512 32.500 -0.030 0.000 0.821 275 K HN 0.154 nan 8.250 nan 0.000 0.486 276 V N 2.362 122.268 119.914 -0.012 0.000 3.451 276 V HA -0.024 4.096 4.120 -0.000 0.000 0.288 276 V C 1.698 177.777 176.094 -0.025 0.000 1.502 276 V CA -0.020 62.267 62.300 -0.020 0.000 1.026 276 V CB 0.306 32.127 31.823 -0.003 0.000 0.840 276 V HN 0.717 nan 8.190 nan 0.000 0.437 277 R N 1.336 121.824 120.500 -0.020 0.000 2.226 277 R HA -0.185 4.155 4.340 -0.000 0.000 0.246 277 R C 1.841 178.121 176.300 -0.033 0.000 1.161 277 R CA 1.760 57.847 56.100 -0.023 0.000 0.997 277 R CB -0.274 30.012 30.300 -0.024 0.000 0.870 277 R HN 0.494 nan 8.270 nan 0.000 0.465 278 Q N 0.866 120.640 119.800 -0.044 0.000 1.615 278 Q HA -0.108 4.232 4.340 -0.000 0.000 0.457 278 Q C 2.177 178.139 176.000 -0.064 0.000 0.949 278 Q CA 1.692 57.462 55.803 -0.055 0.000 0.901 278 Q CB -1.012 27.687 28.738 -0.065 0.000 0.929 278 Q HN 0.550 nan 8.270 nan 0.000 0.395 279 L N -0.198 120.971 121.223 -0.089 0.000 2.563 279 L HA -0.141 4.199 4.340 -0.000 0.000 0.230 279 L C 2.264 179.087 176.870 -0.078 0.000 1.162 279 L CA 1.500 56.272 54.840 -0.114 0.000 0.812 279 L CB -0.636 41.315 42.059 -0.181 0.000 0.935 279 L HN 0.112 nan 8.230 nan 0.000 0.451 280 S N 0.810 116.479 115.700 -0.052 0.000 2.335 280 S HA -0.152 4.317 4.470 -0.000 0.000 0.216 280 S C 2.002 176.589 174.600 -0.022 0.000 1.032 280 S CA 0.975 59.157 58.200 -0.029 0.000 1.000 280 S CB -0.152 63.038 63.200 -0.017 0.000 0.928 280 S HN 0.392 nan 8.310 nan 0.000 0.434 281 K N 1.503 121.890 120.400 -0.022 0.000 2.374 281 K HA -0.099 4.221 4.320 -0.000 0.000 0.202 281 K C 1.874 178.465 176.600 -0.014 0.000 1.044 281 K CA 0.798 57.076 56.287 -0.016 0.000 0.933 281 K CB -0.994 31.495 32.500 -0.018 0.000 0.745 281 K HN 0.490 nan 8.250 nan 0.000 0.474 282 L N -0.163 121.046 121.223 -0.023 0.000 1.956 282 L HA -0.249 4.091 4.340 -0.000 0.000 0.216 282 L C 2.260 179.130 176.870 -0.000 0.000 1.073 282 L CA 1.515 56.345 54.840 -0.017 0.000 0.762 282 L CB -0.933 41.107 42.059 -0.032 0.000 0.889 282 L HN 0.124 nan 8.230 nan 0.000 0.433 283 L N 0.085 121.311 121.223 0.004 0.000 2.351 283 L HA -0.182 4.157 4.340 -0.000 0.000 0.220 283 L C 2.057 178.935 176.870 0.012 0.000 1.127 283 L CA 0.801 55.650 54.840 0.015 0.000 0.786 283 L CB -1.409 40.661 42.059 0.018 0.000 0.914 283 L HN 0.317 nan 8.230 nan 0.000 0.443 284 R N 1.011 121.515 120.500 0.007 0.000 2.973 284 R HA 0.400 4.740 4.340 -0.000 0.000 0.277 284 R C 1.226 177.532 176.300 0.010 0.000 1.000 284 R CA 0.456 56.560 56.100 0.007 0.000 1.175 284 R CB -1.361 28.941 30.300 0.003 0.000 1.113 284 R HN 0.505 nan 8.270 nan 0.000 0.495 285 G N -1.173 107.633 108.800 0.010 0.000 2.553 285 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.242 285 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.242 285 G C 0.161 175.069 174.900 0.013 0.000 1.277 285 G CA 0.379 45.486 45.100 0.011 0.000 0.910 285 G HN 1.580 nan 8.290 nan 0.000 0.576 286 T N 1.891 116.453 114.554 0.013 0.000 3.155 286 T HA 0.732 5.082 4.350 -0.000 0.000 0.384 286 T C 0.435 175.144 174.700 0.014 0.000 1.351 286 T CA 0.740 62.849 62.100 0.014 0.000 1.198 286 T CB 0.847 69.722 68.868 0.013 0.000 1.106 286 T HN 1.110 nan 8.240 nan 0.000 0.564 287 K N 1.128 121.538 120.400 0.016 0.000 2.156 287 K HA 0.957 5.277 4.320 -0.000 0.000 0.250 287 K C 0.485 177.096 176.600 0.018 0.000 0.955 287 K CA -0.540 55.758 56.287 0.018 0.000 0.855 287 K CB 0.818 33.330 32.500 0.021 0.000 1.101 287 K HN 0.691 nan 8.250 nan 0.000 0.434 288 A N 0.082 122.913 122.820 0.018 0.000 2.281 288 A HA 0.493 4.813 4.320 -0.000 0.000 0.271 288 A C 0.786 178.382 177.584 0.019 0.000 1.196 288 A CA 0.232 52.279 52.037 0.017 0.000 0.807 288 A CB 0.055 19.064 19.000 0.015 0.000 1.138 288 A HN 1.069 nan 8.150 nan 0.000 0.506 289 L N -1.364 119.869 121.223 0.016 0.000 2.808 289 L HA 0.249 4.589 4.340 -0.000 0.000 0.246 289 L C 1.038 177.918 176.870 0.016 0.000 1.153 289 L CA 1.604 56.455 54.840 0.018 0.000 0.956 289 L CB 0.093 42.160 42.059 0.014 0.000 1.270 289 L HN 0.774 nan 8.230 nan 0.000 0.528 290 T N -3.652 110.911 114.554 0.015 0.000 3.186 290 T HA 0.167 4.517 4.350 -0.000 0.000 0.292 290 T C 0.578 175.286 174.700 0.014 0.000 0.915 290 T CA -0.426 61.680 62.100 0.010 0.000 0.902 290 T CB 0.474 69.344 68.868 0.002 0.000 1.192 290 T HN 0.059 nan 8.240 nan 0.000 0.563 291 E N 2.194 122.405 120.200 0.020 0.000 2.465 291 E HA 0.228 4.578 4.350 -0.000 0.000 0.260 291 E C -0.169 176.451 176.600 0.033 0.000 0.980 291 E CA -0.100 56.314 56.400 0.023 0.000 0.927 291 E CB 0.718 30.432 29.700 0.023 0.000 0.934 291 E HN 0.097 nan 8.360 nan 0.000 0.459 292 V N 4.443 124.376 119.914 0.031 0.000 3.051 292 V HA 0.194 4.314 4.120 -0.000 0.000 0.306 292 V C 0.202 176.331 176.094 0.058 0.000 1.083 292 V CA -0.056 62.271 62.300 0.045 0.000 1.104 292 V CB 1.039 32.882 31.823 0.033 0.000 1.027 292 V HN 0.530 nan 8.190 nan 0.000 0.483 293 I N 3.854 124.476 120.570 0.086 0.000 2.722 293 I HA 0.528 4.698 4.170 -0.000 0.000 0.292 293 I C -2.654 173.520 176.117 0.095 0.000 1.267 293 I CA -2.060 59.287 61.300 0.079 0.000 1.036 293 I CB 2.771 40.815 38.000 0.074 0.000 1.281 293 I HN 0.496 nan 8.210 nan 0.000 0.423 294 P HA 0.154 nan 4.420 nan 0.000 0.276 294 P C -0.472 176.843 177.300 0.024 0.000 1.264 294 P CA -0.359 62.771 63.100 0.051 0.000 0.769 294 P CB 0.788 32.507 31.700 0.030 0.000 0.840 295 L N 4.396 125.634 121.223 0.025 0.000 2.505 295 L HA 0.052 4.392 4.340 -0.000 0.000 0.275 295 L C 0.700 177.539 176.870 -0.052 0.000 1.264 295 L CA 0.869 55.676 54.840 -0.055 0.000 1.148 295 L CB -1.385 40.618 42.059 -0.092 0.000 1.377 295 L HN 0.375 nan 8.230 nan 0.000 0.442 296 T N 1.827 116.351 114.554 -0.049 0.000 2.939 296 T HA -0.128 4.222 4.350 -0.000 0.000 0.312 296 T C 1.484 176.152 174.700 -0.054 0.000 1.064 296 T CA 0.154 62.229 62.100 -0.042 0.000 1.136 296 T CB 0.441 69.284 68.868 -0.041 0.000 1.035 296 T HN 0.591 nan 8.240 nan 0.000 0.538 297 E N 1.552 121.728 120.200 -0.041 0.000 2.204 297 E HA -0.160 4.190 4.350 -0.000 0.000 0.195 297 E C 1.977 178.546 176.600 -0.051 0.000 0.990 297 E CA 0.949 57.323 56.400 -0.043 0.000 0.821 297 E CB 0.152 29.833 29.700 -0.031 0.000 0.750 297 E HN 0.653 nan 8.360 nan 0.000 0.477 298 E N 0.072 120.243 120.200 -0.049 0.000 2.038 298 E HA -0.223 4.127 4.350 -0.000 0.000 0.195 298 E C 2.060 178.621 176.600 -0.066 0.000 1.000 298 E CA 1.119 57.488 56.400 -0.051 0.000 0.803 298 E CB -0.161 29.512 29.700 -0.046 0.000 0.750 298 E HN 0.239 nan 8.360 nan 0.000 0.448 299 A N 1.520 124.293 122.820 -0.079 0.000 2.015 299 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 299 A C 1.963 179.470 177.584 -0.129 0.000 1.163 299 A CA 1.010 52.981 52.037 -0.110 0.000 0.646 299 A CB -0.187 18.735 19.000 -0.131 0.000 0.806 299 A HN 0.072 nan 8.150 nan 0.000 0.448 300 E N -0.304 119.832 120.200 -0.107 0.000 2.072 300 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 300 E C 2.505 179.055 176.600 -0.083 0.000 0.985 300 E CA 1.434 57.774 56.400 -0.100 0.000 0.801 300 E CB -0.987 28.672 29.700 -0.068 0.000 0.750 300 E HN 0.578 nan 8.360 nan 0.000 0.452 301 L N 1.479 122.660 121.223 -0.070 0.000 2.012 301 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 301 L C 2.659 179.489 176.870 -0.067 0.000 1.073 301 L CA 3.323 58.127 54.840 -0.060 0.000 0.748 301 L CB -2.194 39.834 42.059 -0.053 0.000 0.891 301 L HN 0.359 nan 8.230 nan 0.000 0.431 302 E N -0.143 120.012 120.200 -0.076 0.000 2.012 302 E HA -0.252 4.098 4.350 -0.000 0.000 0.197 302 E C 2.269 178.817 176.600 -0.087 0.000 1.007 302 E CA 1.669 58.022 56.400 -0.078 0.000 0.816 302 E CB -1.055 28.594 29.700 -0.084 0.000 0.762 302 E HN 0.815 nan 8.360 nan 0.000 0.451 303 L N 0.787 121.940 121.223 -0.116 0.000 2.043 303 L HA -0.056 4.284 4.340 -0.000 0.000 0.212 303 L C 2.738 179.557 176.870 -0.085 0.000 1.075 303 L CA 2.642 57.408 54.840 -0.124 0.000 0.752 303 L CB -1.041 40.906 42.059 -0.187 0.000 0.891 303 L HN 0.451 nan 8.230 nan 0.000 0.432 304 A N -0.478 122.297 122.820 -0.075 0.000 1.842 304 A HA -0.289 4.031 4.320 -0.000 0.000 0.217 304 A C 2.106 179.656 177.584 -0.058 0.000 1.206 304 A CA 2.094 54.097 52.037 -0.056 0.000 0.630 304 A CB -0.964 18.006 19.000 -0.050 0.000 0.839 304 A HN 0.615 nan 8.150 nan 0.000 0.447 305 E N -0.052 120.113 120.200 -0.059 0.000 2.049 305 E HA -0.249 4.101 4.350 -0.000 0.000 0.198 305 E C 1.980 178.538 176.600 -0.069 0.000 1.007 305 E CA 1.602 57.966 56.400 -0.059 0.000 0.809 305 E CB -0.427 29.241 29.700 -0.054 0.000 0.749 305 E HN 0.751 nan 8.360 nan 0.000 0.450 306 N N 0.555 119.213 118.700 -0.070 0.000 2.013 306 N HA -0.168 4.572 4.740 -0.000 0.000 0.195 306 N C 1.889 177.339 175.510 -0.099 0.000 1.051 306 N CA 0.888 53.890 53.050 -0.079 0.000 0.851 306 N CB -0.161 38.287 38.487 -0.065 0.000 1.044 306 N HN 0.065 nan 8.380 nan 0.000 0.422 307 R N 1.020 121.473 120.500 -0.079 0.000 2.153 307 R HA -0.161 4.179 4.340 -0.000 0.000 0.252 307 R C 1.897 178.141 176.300 -0.093 0.000 1.158 307 R CA 1.041 57.098 56.100 -0.072 0.000 0.975 307 R CB -0.283 29.992 30.300 -0.041 0.000 0.871 307 R HN 0.387 nan 8.270 nan 0.000 0.450 308 E N 0.839 120.986 120.200 -0.088 0.000 2.017 308 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 308 E C 2.124 178.646 176.600 -0.129 0.000 0.997 308 E CA 1.209 57.556 56.400 -0.090 0.000 0.804 308 E CB -0.243 29.414 29.700 -0.072 0.000 0.757 308 E HN 0.328 nan 8.360 nan 0.000 0.448 309 I N 1.160 121.639 120.570 -0.152 0.000 2.118 309 I HA -0.307 3.863 4.170 -0.000 0.000 0.241 309 I C 2.483 178.360 176.117 -0.400 0.000 1.070 309 I CA 1.159 62.333 61.300 -0.211 0.000 1.327 309 I CB -0.742 37.151 38.000 -0.178 0.000 1.034 309 I HN 0.073 nan 8.210 nan 0.000 0.405 310 L N 0.996 121.927 121.223 -0.487 0.000 2.556 310 L HA -0.234 4.106 4.340 -0.000 0.000 0.230 310 L C 2.997 179.658 176.870 -0.349 0.000 1.163 310 L CA 1.383 55.839 54.840 -0.641 0.000 0.819 310 L CB -1.199 40.645 42.059 -0.357 0.000 0.939 310 L HN 0.381 nan 8.230 nan 0.000 0.452 311 K N 0.755 121.022 120.400 -0.222 0.000 2.044 311 K HA 0.084 4.403 4.320 -0.000 0.000 0.204 311 K C 1.251 177.800 176.600 -0.084 0.000 1.045 311 K CA 1.104 57.323 56.287 -0.114 0.000 0.951 311 K CB -1.011 31.439 32.500 -0.083 0.000 0.738 311 K HN 0.406 nan 8.250 nan 0.000 0.443 312 E N 3.394 123.540 120.200 -0.090 0.000 2.220 312 E HA 0.318 4.668 4.350 -0.000 0.000 0.272 312 E C -2.197 174.418 176.600 0.026 0.000 1.099 312 E CA -1.903 54.477 56.400 -0.034 0.000 0.907 312 E CB -0.593 29.085 29.700 -0.036 0.000 1.022 312 E HN 0.563 nan 8.360 nan 0.000 0.428 313 P HA 0.293 nan 4.420 nan 0.000 0.269 313 P C -0.091 177.298 177.300 0.149 0.000 1.215 313 P CA 0.101 63.283 63.100 0.137 0.000 0.780 313 P CB 1.188 32.941 31.700 0.090 0.000 0.898 314 V N -0.436 119.572 119.914 0.157 0.000 3.188 314 V HA 0.682 4.802 4.120 -0.000 0.000 0.305 314 V C -1.012 175.015 176.094 -0.112 0.000 1.232 314 V CA -0.810 61.487 62.300 -0.004 0.000 1.043 314 V CB 2.258 34.032 31.823 -0.082 0.000 1.068 314 V HN 0.893 nan 8.190 nan 0.000 0.439 315 H N 0.841 119.761 119.070 -0.250 0.000 2.894 315 H HA 0.887 5.443 4.556 -0.000 0.000 0.368 315 H C -0.304 174.679 175.328 -0.575 0.000 1.181 315 H CA -0.560 55.254 56.048 -0.390 0.000 1.146 315 H CB 1.950 31.545 29.762 -0.278 0.000 1.839 315 H HN 1.186 nan 8.280 nan 0.000 0.557 316 G N -0.145 108.072 108.800 -0.972 0.000 2.498 316 G HA2 0.484 4.444 3.960 -0.000 0.000 0.312 316 G HA3 0.484 4.444 3.960 -0.000 0.000 0.312 316 G C -1.106 173.433 174.900 -0.601 0.000 1.230 316 G CA -0.543 43.922 45.100 -1.058 0.000 0.968 316 G HN 0.542 nan 8.290 nan 0.000 0.481 317 V N -0.025 119.866 119.914 -0.038 0.000 3.177 317 V HA 0.657 4.777 4.120 -0.000 0.000 0.319 317 V C -0.707 175.727 176.094 0.566 0.000 1.125 317 V CA -1.155 61.235 62.300 0.150 0.000 1.029 317 V CB 1.599 33.490 31.823 0.115 0.000 1.119 317 V HN 0.671 nan 8.190 nan 0.000 0.452 318 Y N 1.363 121.877 120.300 0.357 0.000 2.326 318 Y HA 0.293 4.843 4.550 -0.000 0.000 0.324 318 Y C -0.456 175.625 175.900 0.302 0.000 1.291 318 Y CA -0.638 57.663 58.100 0.334 0.000 1.348 318 Y CB 1.061 39.663 38.460 0.237 0.000 1.294 318 Y HN 0.694 nan 8.280 nan 0.000 0.525 319 Y N 2.624 123.139 120.300 0.358 0.000 2.393 319 Y HA 0.084 4.634 4.550 -0.000 0.000 0.338 319 Y C -0.428 175.557 175.900 0.142 0.000 1.029 319 Y CA -0.954 57.283 58.100 0.228 0.000 1.239 319 Y CB 0.418 39.081 38.460 0.339 0.000 1.170 319 Y HN 0.449 nan 8.280 nan 0.000 0.515 320 D N 8.972 129.069 120.400 -0.506 0.000 2.329 320 D HA 0.250 4.890 4.640 -0.000 0.000 0.232 320 D C -2.092 173.635 176.300 -0.955 0.000 1.088 320 D CA -2.285 51.398 54.000 -0.529 0.000 0.835 320 D CB 2.046 42.701 40.800 -0.241 0.000 1.078 320 D HN 0.364 nan 8.370 nan 0.000 0.495 321 P HA -0.267 nan 4.420 nan 0.000 0.207 321 P C 1.565 178.700 177.300 -0.275 0.000 1.115 321 P CA 2.489 65.278 63.100 -0.518 0.000 0.956 321 P CB -0.018 31.578 31.700 -0.174 0.000 0.774 322 S N 0.107 115.702 115.700 -0.175 0.000 2.404 322 S HA -0.253 4.217 4.470 -0.000 0.000 0.230 322 S C 0.867 175.392 174.600 -0.125 0.000 1.046 322 S CA 1.432 59.565 58.200 -0.112 0.000 1.135 322 S CB -1.793 61.352 63.200 -0.091 0.000 1.056 322 S HN 0.147 nan 8.310 nan 0.000 0.426 323 K N 3.895 124.201 120.400 -0.156 0.000 2.161 323 K HA 0.027 4.347 4.320 -0.000 0.000 0.260 323 K C -0.205 176.296 176.600 -0.164 0.000 1.158 323 K CA 0.329 56.525 56.287 -0.152 0.000 1.172 323 K CB -0.749 31.658 32.500 -0.154 0.000 0.917 323 K HN 0.617 nan 8.250 nan 0.000 0.410 324 D N 1.339 121.658 120.400 -0.135 0.000 2.341 324 D HA -0.122 4.518 4.640 -0.000 0.000 0.233 324 D C 0.122 176.295 176.300 -0.210 0.000 1.270 324 D CA -0.219 53.701 54.000 -0.134 0.000 0.883 324 D CB 0.433 41.159 40.800 -0.123 0.000 1.207 324 D HN -0.018 nan 8.370 nan 0.000 0.471 325 L N -0.348 120.724 121.223 -0.251 0.000 2.399 325 L HA 0.474 4.814 4.340 -0.000 0.000 0.266 325 L C 0.035 176.642 176.870 -0.439 0.000 1.114 325 L CA -0.428 54.180 54.840 -0.387 0.000 0.804 325 L CB 0.699 42.463 42.059 -0.492 0.000 1.146 325 L HN 0.445 nan 8.230 nan 0.000 0.451 326 I N 1.706 121.958 120.570 -0.531 0.000 2.569 326 I HA 0.671 4.841 4.170 -0.000 0.000 0.290 326 I C -0.618 175.268 176.117 -0.385 0.000 1.088 326 I CA -0.688 60.264 61.300 -0.579 0.000 1.047 326 I CB 2.033 39.436 38.000 -0.995 0.000 1.237 326 I HN 0.600 nan 8.210 nan 0.000 0.421 327 A N 4.664 127.296 122.820 -0.313 0.000 2.343 327 A HA 0.699 5.018 4.320 -0.000 0.000 0.308 327 A C -0.931 176.784 177.584 0.217 0.000 1.092 327 A CA -0.468 51.540 52.037 -0.048 0.000 0.751 327 A CB 1.395 20.224 19.000 -0.285 0.000 1.203 327 A HN 0.760 nan 8.150 nan 0.000 0.452 328 E N 2.667 123.076 120.200 0.350 0.000 2.165 328 E HA 0.477 4.827 4.350 -0.000 0.000 0.266 328 E C -0.894 175.893 176.600 0.312 0.000 0.889 328 E CA -0.618 55.975 56.400 0.322 0.000 0.756 328 E CB 0.986 30.859 29.700 0.288 0.000 1.131 328 E HN 0.577 nan 8.360 nan 0.000 0.411 329 I N 3.467 124.198 120.570 0.268 0.000 2.440 329 I HA 0.234 4.404 4.170 -0.000 0.000 0.294 329 I C -0.004 176.277 176.117 0.274 0.000 0.995 329 I CA -0.613 60.856 61.300 0.281 0.000 1.306 329 I CB 1.206 39.306 38.000 0.168 0.000 1.407 329 I HN 0.499 nan 8.210 nan 0.000 0.501 330 Q N 4.375 124.371 119.800 0.328 0.000 2.375 330 Q HA 0.413 4.753 4.340 -0.000 0.000 0.271 330 Q C -0.511 175.634 176.000 0.242 0.000 1.074 330 Q CA -0.960 54.979 55.803 0.226 0.000 0.808 330 Q CB 2.837 31.662 28.738 0.144 0.000 1.327 330 Q HN 0.338 nan 8.270 nan 0.000 0.441 331 K N 2.053 122.488 120.400 0.059 0.000 2.174 331 K HA 0.312 4.632 4.320 -0.000 0.000 0.275 331 K C -0.389 176.070 176.600 -0.234 0.000 1.015 331 K CA -0.019 56.097 56.287 -0.284 0.000 0.933 331 K CB 0.968 33.300 32.500 -0.280 0.000 1.025 331 K HN 0.563 nan 8.250 nan 0.000 0.463 332 Q N 0.592 120.170 119.800 -0.369 0.000 3.353 332 Q HA 0.414 4.754 4.340 -0.000 0.000 0.302 332 Q C 0.209 176.072 176.000 -0.228 0.000 0.991 332 Q CA -0.876 54.800 55.803 -0.211 0.000 0.827 332 Q CB 0.118 28.777 28.738 -0.132 0.000 1.694 332 Q HN 0.819 nan 8.270 nan 0.000 0.458 333 G N 0.628 109.338 108.800 -0.151 0.000 2.794 333 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.249 333 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.249 333 G C -0.222 174.579 174.900 -0.164 0.000 1.236 333 G CA -0.074 44.950 45.100 -0.127 0.000 0.880 333 G HN 0.281 nan 8.290 nan 0.000 0.586 334 Q N -0.239 119.489 119.800 -0.120 0.000 2.263 334 Q HA 0.402 4.742 4.340 -0.000 0.000 0.289 334 Q C 1.333 177.279 176.000 -0.089 0.000 1.061 334 Q CA 1.773 57.512 55.803 -0.108 0.000 0.927 334 Q CB 0.584 29.280 28.738 -0.069 0.000 1.154 334 Q HN 1.317 nan 8.270 nan 0.000 0.378 335 G N 2.520 111.270 108.800 -0.083 0.000 2.383 335 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.229 335 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.229 335 G C -0.082 174.829 174.900 0.019 0.000 1.089 335 G CA 0.187 45.293 45.100 0.009 0.000 0.640 335 G HN 0.581 nan 8.290 nan 0.000 0.510 336 Q N -0.612 119.132 119.800 -0.092 0.000 2.354 336 Q HA 0.536 4.876 4.340 -0.000 0.000 0.244 336 Q C -0.687 175.237 176.000 -0.127 0.000 0.969 336 Q CA 0.096 55.885 55.803 -0.023 0.000 0.885 336 Q CB 0.777 29.490 28.738 -0.042 0.000 1.241 336 Q HN 0.505 nan 8.270 nan 0.000 0.461 337 W N -0.356 121.003 121.300 0.099 0.000 3.296 337 W HA 0.378 5.038 4.660 -0.000 0.000 0.314 337 W C -0.978 175.650 176.519 0.181 0.000 1.238 337 W CA -0.405 57.038 57.345 0.163 0.000 1.193 337 W CB 1.948 31.564 29.460 0.261 0.000 1.383 337 W HN 0.386 nan 8.180 nan 0.000 0.545 338 T N 1.741 116.546 114.554 0.419 0.000 2.916 338 T HA 0.725 5.075 4.350 -0.000 0.000 0.292 338 T C -1.641 173.260 174.700 0.335 0.000 1.055 338 T CA -0.772 61.477 62.100 0.249 0.000 1.009 338 T CB 1.829 70.759 68.868 0.103 0.000 1.118 338 T HN 0.307 nan 8.240 nan 0.000 0.497 339 Y N -0.655 119.750 120.300 0.175 0.000 2.521 339 Y HA 0.738 5.288 4.550 -0.000 0.000 0.332 339 Y C -1.669 174.315 175.900 0.141 0.000 1.121 339 Y CA -1.419 56.781 58.100 0.166 0.000 1.037 339 Y CB 1.091 39.661 38.460 0.183 0.000 1.330 339 Y HN 0.376 nan 8.280 nan 0.000 0.452 340 Q N 3.643 123.601 119.800 0.263 0.000 2.330 340 Q HA 0.629 4.969 4.340 -0.000 0.000 0.269 340 Q C -1.214 174.988 176.000 0.335 0.000 1.022 340 Q CA -0.595 55.317 55.803 0.181 0.000 0.796 340 Q CB 2.899 31.656 28.738 0.030 0.000 1.271 340 Q HN 0.799 nan 8.270 nan 0.000 0.450 341 I N 4.325 125.095 120.570 0.334 0.000 2.315 341 I HA 0.407 4.577 4.170 -0.000 0.000 0.291 341 I C -0.930 175.350 176.117 0.270 0.000 1.006 341 I CA -0.804 60.657 61.300 0.268 0.000 1.265 341 I CB 0.313 38.438 38.000 0.209 0.000 1.387 341 I HN 0.645 nan 8.210 nan 0.000 0.475 342 Y N 4.246 124.497 120.300 -0.082 0.000 2.715 342 Y HA 0.508 5.058 4.550 -0.000 0.000 0.331 342 Y C 0.056 175.874 175.900 -0.136 0.000 1.197 342 Y CA -1.257 56.793 58.100 -0.083 0.000 1.079 342 Y CB 0.738 39.165 38.460 -0.055 0.000 1.298 342 Y HN 0.578 nan 8.280 nan 0.000 0.477 343 Q N -0.826 118.898 119.800 -0.127 0.000 2.519 343 Q HA 0.356 4.696 4.340 -0.000 0.000 0.248 343 Q C -0.302 175.603 176.000 -0.157 0.000 0.804 343 Q CA -0.059 55.607 55.803 -0.229 0.000 0.979 343 Q CB 0.901 29.549 28.738 -0.150 0.000 1.282 343 Q HN 0.573 nan 8.270 nan 0.000 0.558 344 E N 1.414 121.607 120.200 -0.012 0.000 2.518 344 E HA 0.296 4.646 4.350 -0.000 0.000 0.248 344 E C -1.973 174.676 176.600 0.081 0.000 1.028 344 E CA -2.208 54.192 56.400 0.001 0.000 0.922 344 E CB 0.772 30.471 29.700 -0.002 0.000 1.299 344 E HN -0.068 nan 8.360 nan 0.000 0.457 345 P HA -0.212 nan 4.420 nan 0.000 0.224 345 P C 0.339 177.431 177.300 -0.346 0.000 0.880 345 P CA 1.696 64.695 63.100 -0.168 0.000 1.070 345 P CB -0.066 31.570 31.700 -0.106 0.000 0.652 346 F N -1.268 118.675 119.950 -0.012 0.000 2.850 346 F HA 0.282 4.809 4.527 -0.000 0.000 0.306 346 F C 0.870 176.618 175.800 -0.087 0.000 1.162 346 F CA -0.211 57.728 58.000 -0.102 0.000 1.327 346 F CB -0.061 38.883 39.000 -0.093 0.000 0.953 346 F HN -0.247 nan 8.300 nan 0.000 0.507 347 K N 1.135 121.592 120.400 0.095 0.000 2.211 347 K HA 0.281 4.601 4.320 -0.000 0.000 0.275 347 K C -0.270 176.367 176.600 0.062 0.000 1.024 347 K CA -0.387 55.937 56.287 0.063 0.000 0.887 347 K CB 0.890 33.438 32.500 0.081 0.000 1.084 347 K HN -0.015 nan 8.250 nan 0.000 0.463 348 N N 2.874 121.567 118.700 -0.012 0.000 2.479 348 N HA 0.216 4.956 4.740 -0.000 0.000 0.285 348 N C 1.121 176.688 175.510 0.095 0.000 1.075 348 N CA -0.225 52.844 53.050 0.033 0.000 0.967 348 N CB 1.412 39.871 38.487 -0.047 0.000 1.137 348 N HN 0.390 nan 8.380 nan 0.000 0.472 349 L N 1.343 122.688 121.223 0.202 0.000 2.084 349 L HA 0.117 4.457 4.340 -0.000 0.000 0.202 349 L C 0.912 178.039 176.870 0.428 0.000 1.074 349 L CA 1.038 56.075 54.840 0.329 0.000 0.757 349 L CB 0.125 42.360 42.059 0.293 0.000 0.918 349 L HN 0.504 nan 8.230 nan 0.000 0.444 350 K N -1.239 119.365 120.400 0.339 0.000 2.597 350 K HA 0.297 4.617 4.320 -0.000 0.000 0.282 350 K C -1.332 175.392 176.600 0.206 0.000 0.975 350 K CA -0.427 56.057 56.287 0.328 0.000 0.867 350 K CB 1.944 34.642 32.500 0.330 0.000 1.465 350 K HN 0.012 nan 8.250 nan 0.000 0.417 351 T N -1.254 113.359 114.554 0.098 0.000 2.864 351 T HA 0.922 5.272 4.350 -0.000 0.000 0.289 351 T C -0.004 174.544 174.700 -0.254 0.000 1.082 351 T CA -0.332 61.724 62.100 -0.074 0.000 1.009 351 T CB 2.009 70.821 68.868 -0.094 0.000 1.234 351 T HN 0.802 nan 8.240 nan 0.000 0.526 352 G N 0.105 108.471 108.800 -0.723 0.000 2.489 352 G HA2 0.631 4.591 3.960 -0.000 0.000 0.305 352 G HA3 0.631 4.591 3.960 -0.000 0.000 0.305 352 G C -2.186 172.316 174.900 -0.663 0.000 1.311 352 G CA -0.905 43.785 45.100 -0.682 0.000 0.813 352 G HN 1.017 nan 8.290 nan 0.000 0.480 353 K N -1.532 118.787 120.400 -0.134 0.000 2.527 353 K HA 0.740 5.060 4.320 -0.000 0.000 0.260 353 K C -1.925 174.916 176.600 0.401 0.000 0.937 353 K CA -1.037 55.343 56.287 0.156 0.000 0.826 353 K CB 2.037 34.596 32.500 0.098 0.000 1.359 353 K HN 0.920 nan 8.250 nan 0.000 0.434 354 Y N 0.865 121.365 120.300 0.334 0.000 2.406 354 Y HA 0.647 5.197 4.550 -0.000 0.000 0.340 354 Y C -0.773 175.310 175.900 0.304 0.000 0.975 354 Y CA -0.478 57.782 58.100 0.266 0.000 1.056 354 Y CB 2.293 40.867 38.460 0.191 0.000 1.210 354 Y HN 0.885 nan 8.280 nan 0.000 0.448 355 A N 5.453 128.002 122.820 -0.452 0.000 2.704 355 A HA 0.260 4.580 4.320 -0.000 0.000 0.260 355 A C 0.104 177.472 177.584 -0.359 0.000 1.144 355 A CA -0.540 51.340 52.037 -0.262 0.000 0.985 355 A CB 0.054 19.032 19.000 -0.036 0.000 1.256 355 A HN 0.666 nan 8.150 nan 0.000 0.598 356 R N 1.135 121.250 120.500 -0.642 0.000 2.399 356 R HA 0.225 4.564 4.340 -0.000 0.000 0.324 356 R C -0.032 176.180 176.300 -0.147 0.000 1.030 356 R CA 0.005 55.935 56.100 -0.284 0.000 0.984 356 R CB -0.006 30.203 30.300 -0.152 0.000 0.961 356 R HN 0.475 nan 8.270 nan 0.000 0.433 357 M N 6.040 125.623 119.600 -0.029 0.000 2.264 357 M HA 0.133 4.613 4.480 -0.000 0.000 0.340 357 M C -0.474 175.866 176.300 0.067 0.000 1.420 357 M CA -0.153 55.178 55.300 0.051 0.000 1.254 357 M CB 0.257 32.892 32.600 0.058 0.000 1.575 357 M HN 0.375 nan 8.290 nan 0.000 0.452 358 R N 4.164 124.724 120.500 0.100 0.000 2.248 358 R HA 0.517 4.857 4.340 -0.000 0.000 0.337 358 R C 0.185 176.537 176.300 0.086 0.000 1.085 358 R CA 0.179 56.335 56.100 0.094 0.000 0.934 358 R CB -0.052 30.317 30.300 0.115 0.000 1.034 358 R HN 0.984 nan 8.270 nan 0.000 0.465 359 G N 1.015 109.850 108.800 0.059 0.000 2.619 359 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.686 359 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.686 359 G C 0.460 175.370 174.900 0.017 0.000 1.256 359 G CA -0.368 44.754 45.100 0.036 0.000 0.826 359 G HN 0.511 nan 8.290 nan 0.000 0.619 360 A N 0.541 123.319 122.820 -0.069 0.000 1.832 360 A HA 0.225 4.545 4.320 -0.000 0.000 0.214 360 A C 1.076 178.696 177.584 0.060 0.000 1.200 360 A CA 2.035 54.016 52.037 -0.093 0.000 0.610 360 A CB -0.472 18.321 19.000 -0.344 0.000 0.842 360 A HN 1.251 nan 8.150 nan 0.000 0.444 361 H N -0.362 118.777 119.070 0.116 0.000 2.641 361 H HA 0.510 5.066 4.556 -0.000 0.000 0.295 361 H C 0.197 175.604 175.328 0.131 0.000 1.070 361 H CA 0.252 56.368 56.048 0.114 0.000 1.257 361 H CB 0.476 30.310 29.762 0.119 0.000 1.393 361 H HN 0.369 nan 8.280 nan 0.000 0.464 362 T N 1.893 116.581 114.554 0.223 0.000 2.708 362 T HA 0.479 4.829 4.350 -0.000 0.000 0.256 362 T C 0.110 174.911 174.700 0.169 0.000 0.946 362 T CA -0.230 61.985 62.100 0.191 0.000 1.039 362 T CB 1.342 70.315 68.868 0.175 0.000 1.557 362 T HN 0.789 nan 8.240 nan 0.000 0.576 363 N N -0.790 118.005 118.700 0.159 0.000 3.622 363 N HA 0.356 5.096 4.740 -0.000 0.000 0.352 363 N C -0.976 174.638 175.510 0.174 0.000 1.559 363 N CA -0.369 52.758 53.050 0.129 0.000 0.801 363 N CB -0.027 38.473 38.487 0.021 0.000 2.399 363 N HN 0.415 nan 8.380 nan 0.000 0.545 364 D N -1.339 119.149 120.400 0.148 0.000 2.441 364 D HA 0.244 4.884 4.640 -0.000 0.000 0.210 364 D C 1.344 177.762 176.300 0.198 0.000 1.102 364 D CA 0.315 54.468 54.000 0.254 0.000 0.840 364 D CB 0.747 41.722 40.800 0.292 0.000 0.990 364 D HN 0.346 nan 8.370 nan 0.000 0.505 365 V N -0.216 119.717 119.914 0.032 0.000 2.300 365 V HA -0.075 4.045 4.120 -0.000 0.000 0.241 365 V C 2.170 178.362 176.094 0.163 0.000 1.034 365 V CA 0.673 63.007 62.300 0.057 0.000 1.021 365 V CB -0.665 31.086 31.823 -0.119 0.000 0.662 365 V HN -0.046 nan 8.190 nan 0.000 0.458 366 K N 0.355 120.916 120.400 0.268 0.000 2.044 366 K HA -0.329 3.991 4.320 -0.000 0.000 0.224 366 K C 2.402 179.064 176.600 0.102 0.000 1.056 366 K CA 2.667 59.113 56.287 0.265 0.000 0.962 366 K CB -0.495 32.170 32.500 0.275 0.000 0.730 366 K HN 0.569 nan 8.250 nan 0.000 0.453 367 Q N 0.398 120.273 119.800 0.125 0.000 2.045 367 Q HA -0.223 4.117 4.340 -0.000 0.000 0.206 367 Q C 2.329 178.089 176.000 -0.400 0.000 0.991 367 Q CA 1.478 57.310 55.803 0.047 0.000 0.851 367 Q CB -0.507 28.473 28.738 0.403 0.000 0.911 367 Q HN 0.269 nan 8.270 nan 0.000 0.418 368 L N 0.998 121.922 121.223 -0.498 0.000 2.042 368 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 368 L C 2.240 178.763 176.870 -0.580 0.000 1.076 368 L CA 2.008 56.392 54.840 -0.761 0.000 0.749 368 L CB -0.974 40.817 42.059 -0.447 0.000 0.893 368 L HN 0.172 nan 8.230 nan 0.000 0.432 369 T N -0.172 114.172 114.554 -0.350 0.000 2.544 369 T HA -0.280 4.069 4.350 -0.000 0.000 0.264 369 T C 1.627 176.095 174.700 -0.386 0.000 1.096 369 T CA 2.119 64.022 62.100 -0.327 0.000 1.181 369 T CB -0.399 68.437 68.868 -0.054 0.000 0.864 369 T HN 0.507 nan 8.240 nan 0.000 0.415 370 E N 1.150 121.171 120.200 -0.299 0.000 2.147 370 E HA -0.177 4.173 4.350 -0.000 0.000 0.199 370 E C 2.483 178.662 176.600 -0.702 0.000 1.005 370 E CA 1.057 57.242 56.400 -0.357 0.000 0.810 370 E CB -0.325 29.281 29.700 -0.156 0.000 0.736 370 E HN 0.519 nan 8.360 nan 0.000 0.460 371 A N 1.091 123.411 122.820 -0.833 0.000 1.851 371 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 371 A C 2.593 179.744 177.584 -0.721 0.000 1.195 371 A CA 1.720 53.184 52.037 -0.956 0.000 0.622 371 A CB -0.928 17.556 19.000 -0.861 0.000 0.831 371 A HN 0.136 nan 8.150 nan 0.000 0.444 372 V N -0.302 119.184 119.914 -0.714 0.000 2.282 372 V HA -0.374 3.746 4.120 -0.000 0.000 0.249 372 V C 2.681 178.486 176.094 -0.482 0.000 1.057 372 V CA 2.488 64.306 62.300 -0.804 0.000 1.032 372 V CB -1.153 30.022 31.823 -1.079 0.000 0.645 372 V HN 0.648 nan 8.190 nan 0.000 0.447 373 Q N -0.161 119.393 119.800 -0.411 0.000 2.014 373 Q HA -0.286 4.054 4.340 -0.000 0.000 0.207 373 Q C 2.375 178.245 176.000 -0.217 0.000 0.993 373 Q CA 2.340 57.994 55.803 -0.247 0.000 0.850 373 Q CB -0.248 28.363 28.738 -0.212 0.000 0.916 373 Q HN 0.496 nan 8.270 nan 0.000 0.417 374 K N -0.042 120.165 120.400 -0.322 0.000 2.103 374 K HA -0.126 4.194 4.320 -0.000 0.000 0.207 374 K C 1.709 178.180 176.600 -0.215 0.000 1.048 374 K CA 1.025 57.152 56.287 -0.265 0.000 0.930 374 K CB -0.037 32.230 32.500 -0.387 0.000 0.716 374 K HN 0.179 nan 8.250 nan 0.000 0.444 375 I N 0.429 120.830 120.570 -0.281 0.000 2.315 375 I HA -0.227 3.943 4.170 -0.000 0.000 0.248 375 I C 1.940 178.049 176.117 -0.013 0.000 1.117 375 I CA 1.369 62.534 61.300 -0.225 0.000 1.404 375 I CB -1.407 36.482 38.000 -0.186 0.000 1.071 375 I HN 0.211 nan 8.210 nan 0.000 0.419 376 T N 0.976 115.567 114.554 0.062 0.000 2.569 376 T HA -0.180 4.170 4.350 -0.000 0.000 0.263 376 T C 1.966 176.691 174.700 0.042 0.000 1.074 376 T CA 2.551 64.708 62.100 0.096 0.000 1.176 376 T CB -0.386 68.545 68.868 0.105 0.000 0.863 376 T HN 0.311 nan 8.240 nan 0.000 0.410 377 T N 1.501 116.058 114.554 0.005 0.000 2.653 377 T HA -0.226 4.124 4.350 -0.000 0.000 0.267 377 T C 1.847 176.544 174.700 -0.006 0.000 1.037 377 T CA 1.953 64.050 62.100 -0.004 0.000 1.159 377 T CB -0.458 68.398 68.868 -0.019 0.000 0.859 377 T HN 0.574 nan 8.240 nan 0.000 0.449 378 E N 0.065 120.259 120.200 -0.010 0.000 2.333 378 E HA -0.109 4.241 4.350 -0.000 0.000 0.198 378 E C 1.966 178.545 176.600 -0.035 0.000 1.007 378 E CA 1.069 57.458 56.400 -0.018 0.000 0.845 378 E CB 0.026 29.731 29.700 0.008 0.000 0.766 378 E HN 0.421 nan 8.360 nan 0.000 0.507 379 S N 0.107 115.854 115.700 0.078 0.000 2.427 379 S HA 0.073 4.543 4.470 -0.000 0.000 0.224 379 S C 1.844 176.519 174.600 0.125 0.000 1.047 379 S CA 0.070 58.431 58.200 0.269 0.000 0.953 379 S CB -0.027 63.425 63.200 0.420 0.000 0.824 379 S HN 0.256 nan 8.310 nan 0.000 0.502 380 I N 1.838 122.447 120.570 0.064 0.000 2.236 380 I HA -0.195 3.975 4.170 -0.000 0.000 0.249 380 I C 1.910 178.002 176.117 -0.041 0.000 1.102 380 I CA 1.053 62.368 61.300 0.024 0.000 1.365 380 I CB -0.244 37.764 38.000 0.014 0.000 1.051 380 I HN 0.154 nan 8.210 nan 0.000 0.420 381 V N 0.561 120.421 119.914 -0.090 0.000 2.667 381 V HA -0.178 3.942 4.120 -0.000 0.000 0.252 381 V C 1.907 177.842 176.094 -0.265 0.000 1.065 381 V CA 1.469 63.687 62.300 -0.138 0.000 1.083 381 V CB -0.211 31.542 31.823 -0.118 0.000 0.692 381 V HN 0.378 nan 8.190 nan 0.000 0.468 382 I N -2.378 117.900 120.570 -0.487 0.000 4.035 382 I HA 0.060 4.230 4.170 -0.000 0.000 0.321 382 I C 1.476 177.002 176.117 -0.986 0.000 1.289 382 I CA 0.533 61.284 61.300 -0.915 0.000 1.236 382 I CB 0.230 37.202 38.000 -1.714 0.000 1.076 382 I HN 0.373 nan 8.210 nan 0.000 0.418 383 W N 0.431 121.584 121.300 -0.244 0.000 2.079 383 W HA 0.343 5.003 4.660 -0.000 0.000 0.285 383 W C 1.331 177.723 176.519 -0.212 0.000 0.891 383 W CA 0.299 57.416 57.345 -0.379 0.000 1.308 383 W CB -0.077 29.034 29.460 -0.581 0.000 1.047 383 W HN 0.191 nan 8.180 nan 0.000 0.522 384 G N 2.629 111.445 108.800 0.028 0.000 2.233 384 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.270 384 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.270 384 G C 0.168 175.099 174.900 0.053 0.000 1.011 384 G CA 1.345 46.461 45.100 0.026 0.000 0.762 384 G HN 0.203 nan 8.290 nan 0.000 0.511 385 K N -0.177 120.274 120.400 0.085 0.000 2.469 385 K HA 0.561 4.881 4.320 -0.000 0.000 0.254 385 K C -0.220 176.410 176.600 0.050 0.000 0.939 385 K CA -0.424 55.899 56.287 0.060 0.000 0.812 385 K CB 1.324 33.857 32.500 0.055 0.000 1.301 385 K HN 0.036 nan 8.250 nan 0.000 0.433 386 T N 4.155 118.722 114.554 0.021 0.000 2.909 386 T HA 0.366 4.716 4.350 -0.000 0.000 0.289 386 T C -2.192 172.453 174.700 -0.091 0.000 1.005 386 T CA -1.030 61.072 62.100 0.003 0.000 1.084 386 T CB 1.252 70.145 68.868 0.043 0.000 0.975 386 T HN 0.480 nan 8.240 nan 0.000 0.509 387 P HA 0.422 nan 4.420 nan 0.000 0.289 387 P C -1.061 175.943 177.300 -0.493 0.000 1.300 387 P CA -0.927 61.932 63.100 -0.402 0.000 0.828 387 P CB 1.315 32.685 31.700 -0.550 0.000 1.235 388 K N 0.278 120.395 120.400 -0.472 0.000 2.183 388 K HA 0.450 4.770 4.320 -0.000 0.000 0.274 388 K C -1.014 175.338 176.600 -0.413 0.000 1.009 388 K CA -0.474 55.620 56.287 -0.321 0.000 0.888 388 K CB 0.308 32.685 32.500 -0.205 0.000 1.078 388 K HN 0.221 nan 8.250 nan 0.000 0.459 389 F N 2.374 122.326 119.950 0.003 0.000 2.425 389 F HA 0.392 4.919 4.527 -0.000 0.000 0.331 389 F C 0.189 176.055 175.800 0.111 0.000 1.085 389 F CA -0.539 57.482 58.000 0.036 0.000 1.028 389 F CB 1.643 40.642 39.000 -0.003 0.000 1.177 389 F HN 0.262 nan 8.300 nan 0.000 0.487 390 K N 4.037 124.629 120.400 0.321 0.000 2.572 390 K HA 0.513 4.833 4.320 -0.000 0.000 0.244 390 K C -1.463 175.268 176.600 0.219 0.000 0.965 390 K CA -0.263 56.163 56.287 0.232 0.000 0.943 390 K CB 1.103 33.699 32.500 0.161 0.000 1.154 390 K HN 0.485 nan 8.250 nan 0.000 0.447 391 L N 3.888 125.267 121.223 0.259 0.000 2.322 391 L HA 0.469 4.808 4.340 -0.000 0.000 0.281 391 L C -2.341 174.622 176.870 0.154 0.000 1.014 391 L CA -2.505 52.413 54.840 0.131 0.000 0.815 391 L CB 1.780 43.765 42.059 -0.123 0.000 1.247 391 L HN 0.275 nan 8.230 nan 0.000 0.421 392 P HA 0.307 nan 4.420 nan 0.000 0.260 392 P C -0.647 176.883 177.300 0.384 0.000 1.651 392 P CA 0.216 63.417 63.100 0.168 0.000 1.139 392 P CB -0.010 31.768 31.700 0.130 0.000 1.756 393 I N 0.707 121.701 120.570 0.707 0.000 2.784 393 I HA 0.063 4.233 4.170 -0.000 0.000 0.279 393 I C -1.442 174.981 176.117 0.510 0.000 1.613 393 I CA -0.455 61.096 61.300 0.418 0.000 1.161 393 I CB 1.104 39.199 38.000 0.158 0.000 1.576 393 I HN 0.024 nan 8.210 nan 0.000 0.414 394 Q N 6.417 126.178 119.800 -0.064 0.000 2.373 394 Q HA 0.262 4.602 4.340 -0.000 0.000 0.255 394 Q C 0.855 176.986 176.000 0.218 0.000 0.980 394 Q CA -0.349 55.311 55.803 -0.240 0.000 0.882 394 Q CB 1.136 29.474 28.738 -0.666 0.000 1.249 394 Q HN 0.552 nan 8.270 nan 0.000 0.438 395 K N 1.511 122.051 120.400 0.233 0.000 2.077 395 K HA -0.315 4.005 4.320 -0.000 0.000 0.213 395 K C 1.561 178.335 176.600 0.290 0.000 1.051 395 K CA 1.879 58.354 56.287 0.314 0.000 0.929 395 K CB -0.035 32.508 32.500 0.071 0.000 0.715 395 K HN 0.591 nan 8.250 nan 0.000 0.451 396 E N 0.068 120.339 120.200 0.118 0.000 2.035 396 E HA -0.223 4.127 4.350 -0.000 0.000 0.204 396 E C 2.184 178.848 176.600 0.107 0.000 1.025 396 E CA 2.309 58.752 56.400 0.071 0.000 0.835 396 E CB -0.356 29.338 29.700 -0.011 0.000 0.764 396 E HN 0.476 nan 8.360 nan 0.000 0.457 397 T N 0.733 115.347 114.554 0.100 0.000 2.597 397 T HA -0.262 4.088 4.350 -0.000 0.000 0.267 397 T C 1.505 176.349 174.700 0.239 0.000 1.053 397 T CA 1.559 63.718 62.100 0.099 0.000 1.165 397 T CB -1.053 67.852 68.868 0.062 0.000 0.863 397 T HN 0.456 nan 8.240 nan 0.000 0.427 398 W N 2.351 123.768 121.300 0.194 0.000 2.311 398 W HA -0.240 4.419 4.660 -0.000 0.000 0.326 398 W C 2.180 178.974 176.519 0.459 0.000 1.239 398 W CA 1.784 59.326 57.345 0.330 0.000 1.258 398 W CB -0.379 29.294 29.460 0.355 0.000 1.165 398 W HN 0.405 nan 8.180 nan 0.000 0.466 399 E N -0.498 119.871 120.200 0.281 0.000 2.164 399 E HA -0.311 4.039 4.350 -0.000 0.000 0.206 399 E C 1.928 178.350 176.600 -0.296 0.000 1.032 399 E CA 2.875 59.310 56.400 0.059 0.000 0.832 399 E CB -0.630 29.142 29.700 0.120 0.000 0.742 399 E HN 0.301 nan 8.360 nan 0.000 0.460 400 T N 0.035 114.527 114.554 -0.105 0.000 2.812 400 T HA -0.172 4.178 4.350 -0.000 0.000 0.264 400 T C 1.198 175.874 174.700 -0.039 0.000 1.042 400 T CA 0.878 62.911 62.100 -0.111 0.000 1.140 400 T CB -0.425 68.424 68.868 -0.031 0.000 0.870 400 T HN 0.412 nan 8.240 nan 0.000 0.445 401 W N 1.754 122.910 121.300 -0.239 0.000 2.304 401 W HA -0.227 4.433 4.660 -0.000 0.000 0.328 401 W C 2.461 178.850 176.519 -0.216 0.000 1.242 401 W CA 1.220 58.439 57.345 -0.210 0.000 1.243 401 W CB -0.226 29.154 29.460 -0.133 0.000 1.170 401 W HN 0.436 nan 8.180 nan 0.000 0.460 402 W N 0.769 121.707 121.300 -0.604 0.000 2.374 402 W HA -0.166 4.494 4.660 -0.000 0.000 0.288 402 W C 1.900 178.212 176.519 -0.346 0.000 1.218 402 W CA 1.679 58.625 57.345 -0.666 0.000 1.245 402 W CB -1.987 27.007 29.460 -0.776 0.000 1.126 402 W HN -0.071 nan 8.180 nan 0.000 0.545 403 T N 0.770 114.871 114.554 -0.755 0.000 2.821 403 T HA -0.217 4.133 4.350 -0.000 0.000 0.267 403 T C 1.790 176.335 174.700 -0.258 0.000 1.046 403 T CA 2.121 63.830 62.100 -0.652 0.000 1.139 403 T CB -0.255 68.140 68.868 -0.787 0.000 0.871 403 T HN 0.311 nan 8.240 nan 0.000 0.454 404 E N -1.168 118.940 120.200 -0.153 0.000 2.072 404 E HA -0.040 4.310 4.350 -0.000 0.000 0.190 404 E C 0.099 176.744 176.600 0.075 0.000 0.982 404 E CA 0.125 56.526 56.400 0.002 0.000 0.803 404 E CB -0.017 29.740 29.700 0.095 0.000 0.755 404 E HN 0.437 nan 8.360 nan 0.000 0.453 405 Y N 0.295 120.430 120.300 -0.276 0.000 2.550 405 Y HA -0.132 4.418 4.550 -0.000 0.000 0.343 405 Y C 0.544 176.317 175.900 -0.212 0.000 1.245 405 Y CA -0.410 57.403 58.100 -0.477 0.000 1.462 405 Y CB 0.262 38.043 38.460 -1.131 0.000 1.340 405 Y HN 0.152 nan 8.280 nan 0.000 0.604 406 W N 1.015 122.399 121.300 0.139 0.000 3.211 406 W HA 0.353 5.013 4.660 -0.000 0.000 0.292 406 W C -0.208 176.149 176.519 -0.270 0.000 1.268 406 W CA -0.397 56.906 57.345 -0.071 0.000 1.702 406 W CB -0.147 29.311 29.460 -0.003 0.000 1.092 406 W HN 0.386 nan 8.180 nan 0.000 0.643 407 Q N 1.813 120.987 119.800 -1.044 0.000 2.245 407 Q HA 0.586 4.926 4.340 -0.000 0.000 0.256 407 Q C 0.039 175.689 176.000 -0.582 0.000 0.942 407 Q CA -0.438 54.833 55.803 -0.886 0.000 0.896 407 Q CB 1.654 29.534 28.738 -1.429 0.000 1.272 407 Q HN 0.192 nan 8.270 nan 0.000 0.442 408 A N 2.365 124.999 122.820 -0.309 0.000 2.407 408 A HA 0.615 4.935 4.320 -0.000 0.000 0.248 408 A C -0.443 177.042 177.584 -0.164 0.000 1.082 408 A CA 0.261 52.194 52.037 -0.172 0.000 0.785 408 A CB 0.301 19.241 19.000 -0.100 0.000 1.020 408 A HN 0.807 nan 8.150 nan 0.000 0.489 409 T N -0.492 114.028 114.554 -0.056 0.000 2.739 409 T HA 0.722 5.072 4.350 -0.000 0.000 0.303 409 T C -0.899 173.935 174.700 0.223 0.000 1.389 409 T CA -0.574 61.557 62.100 0.052 0.000 1.001 409 T CB 1.383 70.277 68.868 0.043 0.000 1.436 409 T HN 1.537 nan 8.240 nan 0.000 0.500 410 W N 0.229 121.575 121.300 0.077 0.000 3.073 410 W HA 0.561 5.221 4.660 -0.000 0.000 0.347 410 W C -3.009 173.469 176.519 -0.068 0.000 1.059 410 W CA -1.111 56.263 57.345 0.047 0.000 1.075 410 W CB 0.244 29.650 29.460 -0.090 0.000 1.467 410 W HN 0.854 nan 8.180 nan 0.000 0.555 411 I N 3.649 123.682 120.570 -0.894 0.000 2.827 411 I HA 0.319 4.489 4.170 -0.000 0.000 0.298 411 I C -2.051 173.456 176.117 -1.017 0.000 1.235 411 I CA -1.977 58.790 61.300 -0.889 0.000 1.021 411 I CB 2.736 39.988 38.000 -1.247 0.000 1.259 411 I HN 0.028 nan 8.210 nan 0.000 0.427 412 P HA 0.100 nan 4.420 nan 0.000 0.279 412 P C -0.634 176.722 177.300 0.094 0.000 1.282 412 P CA -0.386 62.700 63.100 -0.023 0.000 0.788 412 P CB 0.546 32.388 31.700 0.236 0.000 1.139 413 E N 1.054 121.325 120.200 0.118 0.000 2.966 413 E HA -0.063 4.287 4.350 -0.000 0.000 0.254 413 E C -0.838 175.896 176.600 0.225 0.000 0.923 413 E CA 0.323 56.776 56.400 0.089 0.000 0.960 413 E CB -0.065 29.660 29.700 0.042 0.000 0.901 413 E HN 0.360 nan 8.360 nan 0.000 0.525 414 W N 3.515 124.779 121.300 -0.060 0.000 3.248 414 W HA 0.499 5.159 4.660 -0.000 0.000 0.311 414 W C -1.254 175.259 176.519 -0.010 0.000 1.258 414 W CA -0.878 56.458 57.345 -0.015 0.000 1.191 414 W CB 0.570 30.004 29.460 -0.043 0.000 1.389 414 W HN 0.325 nan 8.180 nan 0.000 0.561 415 E N 1.408 121.614 120.200 0.011 0.000 2.281 415 E HA 0.542 4.892 4.350 -0.000 0.000 0.257 415 E C -1.541 175.177 176.600 0.196 0.000 0.971 415 E CA -1.257 55.068 56.400 -0.126 0.000 0.839 415 E CB 2.192 31.865 29.700 -0.046 0.000 1.238 415 E HN 0.350 nan 8.360 nan 0.000 0.412 416 F N 1.645 121.617 119.950 0.037 0.000 2.404 416 F HA 0.365 4.892 4.527 -0.000 0.000 0.354 416 F C -0.628 175.260 175.800 0.145 0.000 1.122 416 F CA -0.709 57.416 58.000 0.208 0.000 1.080 416 F CB 0.835 39.932 39.000 0.162 0.000 1.131 416 F HN 0.044 nan 8.300 nan 0.000 0.471 417 V N 7.101 126.580 119.914 -0.725 0.000 2.481 417 V HA 0.332 4.452 4.120 -0.000 0.000 0.286 417 V C -0.455 174.909 176.094 -1.216 0.000 1.042 417 V CA -0.615 61.299 62.300 -0.644 0.000 0.928 417 V CB 1.128 32.809 31.823 -0.237 0.000 0.986 417 V HN 0.802 nan 8.190 nan 0.000 0.462 418 N N 4.269 122.562 118.700 -0.679 0.000 2.719 418 N HA 0.268 5.008 4.740 -0.000 0.000 0.243 418 N C -0.549 174.895 175.510 -0.111 0.000 1.104 418 N CA 0.263 53.123 53.050 -0.317 0.000 0.981 418 N CB 0.603 39.130 38.487 0.065 0.000 1.290 418 N HN 0.811 nan 8.380 nan 0.000 0.513 419 T N 3.132 117.630 114.554 -0.093 0.000 3.305 419 T HA 0.301 4.651 4.350 -0.000 0.000 0.309 419 T C -2.853 171.865 174.700 0.030 0.000 0.889 419 T CA -1.143 60.948 62.100 -0.015 0.000 1.386 419 T CB 0.309 69.160 68.868 -0.029 0.000 0.929 419 T HN 0.118 nan 8.240 nan 0.000 0.538 420 P HA 0.166 nan 4.420 nan 0.000 0.270 420 P C -2.437 174.888 177.300 0.041 0.000 1.216 420 P CA -0.667 62.474 63.100 0.069 0.000 0.788 420 P CB 0.004 31.745 31.700 0.068 0.000 0.883 421 P HA 0.086 nan 4.420 nan 0.000 0.271 421 P C -0.465 176.877 177.300 0.070 0.000 1.220 421 P CA 0.454 63.582 63.100 0.047 0.000 0.768 421 P CB 0.490 32.205 31.700 0.024 0.000 0.848 422 L N 2.835 124.110 121.223 0.087 0.000 2.456 422 L HA 0.348 4.688 4.340 -0.000 0.000 0.257 422 L C 0.358 177.270 176.870 0.070 0.000 1.162 422 L CA -1.027 53.884 54.840 0.119 0.000 0.808 422 L CB 1.093 43.234 42.059 0.136 0.000 1.136 422 L HN 0.147 nan 8.230 nan 0.000 0.466 423 V N 0.932 120.904 119.914 0.098 0.000 2.417 423 V HA 0.749 4.869 4.120 -0.000 0.000 0.291 423 V C 0.118 176.178 176.094 -0.056 0.000 1.024 423 V CA -0.557 61.779 62.300 0.060 0.000 0.861 423 V CB 1.063 32.991 31.823 0.175 0.000 0.985 423 V HN 0.855 nan 8.190 nan 0.000 0.436 424 K N 4.226 124.491 120.400 -0.225 0.000 2.580 424 K HA 0.649 4.969 4.320 -0.000 0.000 0.258 424 K C -0.912 175.370 176.600 -0.531 0.000 0.936 424 K CA -0.784 55.306 56.287 -0.329 0.000 0.852 424 K CB 0.605 32.897 32.500 -0.347 0.000 1.329 424 K HN 0.660 nan 8.250 nan 0.000 0.430 425 L N 0.792 121.778 121.223 -0.395 0.000 2.536 425 L HA 0.133 4.473 4.340 -0.000 0.000 0.294 425 L C 1.034 177.675 176.870 -0.382 0.000 1.257 425 L CA 0.144 54.773 54.840 -0.353 0.000 0.850 425 L CB 0.323 42.150 42.059 -0.387 0.000 1.105 425 L HN 0.931 nan 8.230 nan 0.000 0.517 426 W N 0.008 121.265 121.300 -0.073 0.000 2.640 426 W HA 0.117 4.777 4.660 -0.000 0.000 0.271 426 W C 0.714 177.300 176.519 0.112 0.000 1.218 426 W CA -0.077 57.287 57.345 0.032 0.000 1.382 426 W CB -0.107 29.401 29.460 0.080 0.000 1.067 426 W HN 0.539 nan 8.180 nan 0.000 0.590 427 Y N -0.472 119.921 120.300 0.156 0.000 2.833 427 Y HA 0.753 5.303 4.550 -0.000 0.000 0.323 427 Y C -0.481 175.438 175.900 0.032 0.000 1.220 427 Y CA -2.266 55.886 58.100 0.087 0.000 1.174 427 Y CB 0.447 38.957 38.460 0.082 0.000 1.404 427 Y HN -0.124 nan 8.280 nan 0.000 0.607 428 Q N 1.148 121.095 119.800 0.246 0.000 2.597 428 Q HA 0.345 4.685 4.340 -0.000 0.000 0.227 428 Q C -1.939 174.155 176.000 0.157 0.000 0.803 428 Q CA -0.205 55.637 55.803 0.065 0.000 1.030 428 Q CB 0.859 29.611 28.738 0.024 0.000 1.559 428 Q HN 0.861 nan 8.270 nan 0.000 0.481 429 L N 1.302 122.615 121.223 0.149 0.000 2.371 429 L HA 0.219 4.559 4.340 -0.000 0.000 0.234 429 L C 0.618 177.558 176.870 0.117 0.000 1.230 429 L CA 0.082 55.008 54.840 0.144 0.000 0.825 429 L CB 0.246 42.364 42.059 0.098 0.000 1.157 429 L HN 0.603 nan 8.230 nan 0.000 0.565 430 E N -0.330 119.953 120.200 0.138 0.000 2.244 430 E HA 0.242 4.592 4.350 -0.000 0.000 0.266 430 E C 0.060 176.788 176.600 0.213 0.000 0.914 430 E CA -0.518 55.999 56.400 0.194 0.000 0.794 430 E CB 2.002 31.878 29.700 0.294 0.000 1.210 430 E HN 0.366 nan 8.360 nan 0.000 0.414 431 K N 0.564 121.080 120.400 0.193 0.000 2.137 431 K HA 0.057 4.377 4.320 -0.000 0.000 0.202 431 K C 0.219 177.012 176.600 0.323 0.000 1.052 431 K CA 0.694 57.086 56.287 0.176 0.000 0.961 431 K CB 0.412 32.974 32.500 0.103 0.000 0.741 431 K HN 0.294 nan 8.250 nan 0.000 0.452 432 E N 0.821 121.195 120.200 0.290 0.000 2.256 432 E HA 0.274 4.624 4.350 -0.000 0.000 0.267 432 E C -2.653 173.771 176.600 -0.294 0.000 0.892 432 E CA -2.865 53.612 56.400 0.128 0.000 0.775 432 E CB 1.260 30.976 29.700 0.026 0.000 1.207 432 E HN -0.077 nan 8.360 nan 0.000 0.420 433 P HA 0.071 nan 4.420 nan 0.000 0.265 433 P C -0.160 176.882 177.300 -0.430 0.000 1.193 433 P CA -0.282 62.168 63.100 -1.085 0.000 0.765 433 P CB 0.624 31.854 31.700 -0.785 0.000 0.823 434 I N 4.137 124.527 120.570 -0.300 0.000 2.488 434 I HA 0.149 4.319 4.170 -0.000 0.000 0.299 434 I C -0.595 175.451 176.117 -0.117 0.000 0.984 434 I CA -0.897 60.320 61.300 -0.138 0.000 1.250 434 I CB 1.486 39.450 38.000 -0.060 0.000 1.389 434 I HN 0.061 nan 8.210 nan 0.000 0.488 435 V N 6.859 126.724 119.914 -0.081 0.000 2.328 435 V HA 0.736 4.856 4.120 -0.000 0.000 0.278 435 V C 0.673 176.738 176.094 -0.048 0.000 1.021 435 V CA 0.210 62.470 62.300 -0.067 0.000 0.838 435 V CB 0.248 32.037 31.823 -0.057 0.000 0.999 435 V HN 1.038 nan 8.190 nan 0.000 0.447 436 G N 3.061 111.831 108.800 -0.050 0.000 2.363 436 G HA2 0.415 4.375 3.960 -0.000 0.000 0.213 436 G HA3 0.415 4.375 3.960 -0.000 0.000 0.213 436 G C -0.200 174.676 174.900 -0.039 0.000 1.028 436 G CA 0.245 45.322 45.100 -0.037 0.000 0.822 436 G HN 1.408 nan 8.290 nan 0.000 0.536 437 A N -0.107 122.678 122.820 -0.059 0.000 2.594 437 A HA 0.813 5.133 4.320 -0.000 0.000 0.295 437 A C -0.490 177.014 177.584 -0.133 0.000 1.071 437 A CA -0.647 51.347 52.037 -0.073 0.000 0.685 437 A CB 1.182 20.158 19.000 -0.040 0.000 1.285 437 A HN 0.263 nan 8.150 nan 0.000 0.405 438 E N 0.779 120.840 120.200 -0.232 0.000 2.366 438 E HA 0.410 4.760 4.350 -0.000 0.000 0.266 438 E C 0.010 176.374 176.600 -0.392 0.000 1.051 438 E CA -0.122 56.054 56.400 -0.372 0.000 0.884 438 E CB 0.809 30.103 29.700 -0.676 0.000 1.006 438 E HN 0.623 nan 8.360 nan 0.000 0.417 439 T N 0.152 114.555 114.554 -0.252 0.000 2.794 439 T HA 0.275 4.625 4.350 -0.000 0.000 0.304 439 T C -0.493 174.139 174.700 -0.114 0.000 0.973 439 T CA -0.719 61.288 62.100 -0.153 0.000 0.972 439 T CB -0.399 68.434 68.868 -0.057 0.000 0.952 439 T HN 0.169 nan 8.240 nan 0.000 0.509 440 F N 3.997 123.918 119.950 -0.048 0.000 2.462 440 F HA 0.299 4.826 4.527 -0.000 0.000 0.360 440 F C 0.124 175.930 175.800 0.011 0.000 1.134 440 F CA -1.158 56.822 58.000 -0.032 0.000 1.148 440 F CB 0.003 38.868 39.000 -0.226 0.000 1.147 440 F HN 0.552 nan 8.300 nan 0.000 0.550 441 Y N 3.428 123.859 120.300 0.217 0.000 2.452 441 Y HA 0.391 4.941 4.550 -0.000 0.000 0.348 441 Y C 0.424 176.448 175.900 0.207 0.000 0.985 441 Y CA -0.959 57.237 58.100 0.161 0.000 1.214 441 Y CB 0.099 38.624 38.460 0.108 0.000 1.136 441 Y HN 0.315 nan 8.280 nan 0.000 0.523 442 V N 0.233 120.295 119.914 0.248 0.000 3.211 442 V HA 0.830 4.950 4.120 -0.000 0.000 0.319 442 V C -0.351 175.839 176.094 0.159 0.000 1.096 442 V CA -0.722 61.709 62.300 0.219 0.000 1.029 442 V CB 1.965 33.877 31.823 0.149 0.000 1.137 442 V HN 0.662 nan 8.190 nan 0.000 0.453 443 D N -2.054 118.427 120.400 0.136 0.000 3.064 443 D HA 0.534 5.174 4.640 -0.000 0.000 0.288 443 D C -0.684 175.672 176.300 0.092 0.000 1.140 443 D CA 0.521 54.585 54.000 0.107 0.000 0.725 443 D CB 0.949 41.813 40.800 0.105 0.000 1.295 443 D HN 1.257 nan 8.370 nan 0.000 0.448 444 G N -0.635 108.217 108.800 0.087 0.000 2.646 444 G HA2 0.916 4.876 3.960 -0.000 0.000 0.291 444 G HA3 0.916 4.876 3.960 -0.000 0.000 0.291 444 G C -1.656 173.291 174.900 0.079 0.000 1.445 444 G CA 0.049 45.194 45.100 0.074 0.000 0.814 444 G HN 0.931 nan 8.290 nan 0.000 0.495 445 A N -1.067 121.792 122.820 0.066 0.000 2.609 445 A HA 1.116 5.436 4.320 -0.000 0.000 0.291 445 A C -0.549 177.068 177.584 0.054 0.000 1.096 445 A CA 0.113 52.191 52.037 0.068 0.000 0.684 445 A CB 1.412 20.451 19.000 0.064 0.000 1.282 445 A HN 2.598 nan 8.150 nan 0.000 0.412 446 A N 0.198 123.050 122.820 0.053 0.000 2.610 446 A HA 0.756 5.075 4.320 -0.000 0.000 0.291 446 A C -1.313 176.294 177.584 0.039 0.000 1.086 446 A CA -0.458 51.605 52.037 0.043 0.000 0.677 446 A CB 1.319 20.347 19.000 0.046 0.000 1.278 446 A HN 1.229 nan 8.150 nan 0.000 0.414 447 N N -0.156 118.562 118.700 0.031 0.000 2.479 447 N HA 0.387 5.127 4.740 -0.000 0.000 0.261 447 N C 0.943 176.468 175.510 0.025 0.000 0.979 447 N CA -0.605 52.461 53.050 0.027 0.000 0.930 447 N CB 0.960 39.459 38.487 0.020 0.000 1.172 447 N HN 0.592 nan 8.380 nan 0.000 0.499 448 R N 1.992 122.508 120.500 0.026 0.000 2.115 448 R HA -0.180 4.160 4.340 -0.000 0.000 0.239 448 R C 0.562 176.873 176.300 0.019 0.000 1.133 448 R CA 1.794 57.908 56.100 0.023 0.000 0.935 448 R CB -0.180 30.134 30.300 0.022 0.000 0.853 448 R HN 0.709 nan 8.270 nan 0.000 0.433 449 E N -0.245 119.965 120.200 0.018 0.000 2.492 449 E HA -0.157 4.193 4.350 -0.000 0.000 0.204 449 E C 1.175 177.783 176.600 0.014 0.000 1.073 449 E CA 1.406 57.815 56.400 0.015 0.000 0.887 449 E CB -0.015 29.693 29.700 0.014 0.000 0.813 449 E HN 0.597 nan 8.360 nan 0.000 0.562 450 T N -3.149 111.415 114.554 0.016 0.000 3.051 450 T HA 0.063 4.413 4.350 -0.000 0.000 0.254 450 T C 1.038 175.747 174.700 0.016 0.000 0.916 450 T CA 0.199 62.308 62.100 0.014 0.000 0.894 450 T CB 0.286 69.162 68.868 0.014 0.000 1.251 450 T HN 0.210 nan 8.240 nan 0.000 0.517 451 K N 0.812 121.223 120.400 0.019 0.000 3.548 451 K HA -0.183 4.137 4.320 -0.000 0.000 0.296 451 K C -0.376 176.237 176.600 0.022 0.000 1.324 451 K CA 1.309 57.609 56.287 0.021 0.000 0.976 451 K CB -2.804 29.707 32.500 0.018 0.000 1.294 451 K HN 0.580 nan 8.250 nan 0.000 0.464 452 L N -1.698 119.537 121.223 0.020 0.000 2.304 452 L HA 1.012 5.352 4.340 -0.000 0.000 0.268 452 L C 0.443 177.327 176.870 0.023 0.000 1.010 452 L CA 0.134 54.986 54.840 0.020 0.000 0.813 452 L CB 1.928 43.996 42.059 0.015 0.000 1.315 452 L HN 0.281 nan 8.230 nan 0.000 0.445 453 G N -0.440 108.373 108.800 0.022 0.000 2.328 453 G HA2 0.360 4.320 3.960 -0.000 0.000 0.299 453 G HA3 0.360 4.320 3.960 -0.000 0.000 0.299 453 G C -1.810 173.103 174.900 0.022 0.000 1.435 453 G CA -1.010 44.104 45.100 0.024 0.000 0.865 453 G HN 0.665 nan 8.290 nan 0.000 0.601 454 K N -0.769 119.642 120.400 0.020 0.000 2.280 454 K HA 0.915 5.235 4.320 -0.000 0.000 0.234 454 K C -0.337 176.276 176.600 0.021 0.000 1.028 454 K CA -0.401 55.894 56.287 0.013 0.000 0.882 454 K CB 2.296 34.796 32.500 0.000 0.000 1.194 454 K HN 1.287 nan 8.250 nan 0.000 0.458 455 A N 0.069 122.895 122.820 0.010 0.000 2.555 455 A HA 0.719 5.039 4.320 -0.000 0.000 0.297 455 A C -0.807 176.770 177.584 -0.012 0.000 1.060 455 A CA -0.053 51.997 52.037 0.021 0.000 0.710 455 A CB 1.623 20.649 19.000 0.045 0.000 1.282 455 A HN 0.777 nan 8.150 nan 0.000 0.399 456 G N 0.012 108.806 108.800 -0.010 0.000 2.474 456 G HA2 0.766 4.726 3.960 -0.000 0.000 0.234 456 G HA3 0.766 4.726 3.960 -0.000 0.000 0.234 456 G C -1.126 173.768 174.900 -0.009 0.000 1.204 456 G CA 0.527 45.555 45.100 -0.121 0.000 0.939 456 G HN 2.188 nan 8.290 nan 0.000 0.491 457 Y N -2.922 117.413 120.300 0.058 0.000 2.750 457 Y HA 0.756 5.306 4.550 -0.000 0.000 0.335 457 Y C -1.419 174.570 175.900 0.149 0.000 1.252 457 Y CA -1.520 56.654 58.100 0.123 0.000 1.064 457 Y CB 1.511 40.060 38.460 0.150 0.000 1.321 457 Y HN 0.606 nan 8.280 nan 0.000 0.451 458 V N 1.513 121.736 119.914 0.516 0.000 2.524 458 V HA 0.453 4.573 4.120 -0.000 0.000 0.297 458 V C -0.234 176.083 176.094 0.372 0.000 1.035 458 V CA -0.410 62.094 62.300 0.339 0.000 0.867 458 V CB 1.461 33.355 31.823 0.118 0.000 1.004 458 V HN 0.990 nan 8.190 nan 0.000 0.426 459 T N 2.525 117.264 114.554 0.307 0.000 2.881 459 T HA 0.206 4.556 4.350 -0.000 0.000 0.278 459 T C 1.449 176.152 174.700 0.005 0.000 0.982 459 T CA -0.078 62.061 62.100 0.066 0.000 0.989 459 T CB 0.846 69.591 68.868 -0.205 0.000 1.058 459 T HN 0.876 nan 8.240 nan 0.000 0.529 460 N N 1.990 120.669 118.700 -0.036 0.000 2.289 460 N HA -0.095 4.645 4.740 -0.000 0.000 0.184 460 N C 0.827 176.308 175.510 -0.048 0.000 1.016 460 N CA 1.183 54.211 53.050 -0.036 0.000 0.872 460 N CB -0.351 38.126 38.487 -0.016 0.000 0.973 460 N HN 0.582 nan 8.380 nan 0.000 0.433 461 K N -0.012 120.353 120.400 -0.058 0.000 2.745 461 K HA 0.240 4.560 4.320 -0.000 0.000 0.223 461 K C 0.783 177.378 176.600 -0.008 0.000 1.057 461 K CA 0.300 56.565 56.287 -0.037 0.000 1.217 461 K CB -0.304 32.168 32.500 -0.047 0.000 0.993 461 K HN 0.363 nan 8.250 nan 0.000 0.478 462 G N 2.035 110.833 108.800 -0.003 0.000 2.270 462 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.268 462 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.268 462 G C 0.490 175.424 174.900 0.055 0.000 0.982 462 G CA 0.859 45.968 45.100 0.014 0.000 0.628 462 G HN 0.496 nan 8.290 nan 0.000 0.544 463 R N 0.331 120.885 120.500 0.090 0.000 2.919 463 R HA 0.435 4.775 4.340 -0.000 0.000 0.271 463 R C 0.285 176.713 176.300 0.213 0.000 0.995 463 R CA 1.222 57.422 56.100 0.166 0.000 1.158 463 R CB 0.108 30.556 30.300 0.247 0.000 1.071 463 R HN 0.484 nan 8.270 nan 0.000 0.476 464 Q N -0.373 119.543 119.800 0.193 0.000 2.647 464 Q HA 0.351 4.691 4.340 -0.000 0.000 0.283 464 Q C -2.089 173.808 176.000 -0.173 0.000 0.943 464 Q CA -0.897 54.924 55.803 0.030 0.000 0.813 464 Q CB 1.605 30.340 28.738 -0.005 0.000 1.477 464 Q HN 0.531 nan 8.270 nan 0.000 0.393 465 K N 0.112 120.208 120.400 -0.506 0.000 2.572 465 K HA 0.690 5.010 4.320 -0.000 0.000 0.263 465 K C -2.253 174.083 176.600 -0.439 0.000 0.932 465 K CA -0.473 55.510 56.287 -0.505 0.000 0.838 465 K CB 1.943 34.013 32.500 -0.715 0.000 1.366 465 K HN 0.307 nan 8.250 nan 0.000 0.425 466 V N 4.537 124.311 119.914 -0.233 0.000 2.675 466 V HA 0.271 4.391 4.120 -0.000 0.000 0.266 466 V C -0.739 175.301 176.094 -0.090 0.000 0.974 466 V CA -0.594 61.616 62.300 -0.151 0.000 0.890 466 V CB 1.379 33.142 31.823 -0.100 0.000 1.055 466 V HN 0.693 nan 8.190 nan 0.000 0.477 467 V N 3.558 123.429 119.914 -0.073 0.000 2.607 467 V HA 0.752 4.872 4.120 -0.000 0.000 0.289 467 V C -2.227 173.857 176.094 -0.016 0.000 1.053 467 V CA -1.793 60.486 62.300 -0.035 0.000 0.996 467 V CB 1.433 33.245 31.823 -0.018 0.000 0.995 467 V HN 0.616 nan 8.190 nan 0.000 0.476 468 P HA 0.689 nan 4.420 nan 0.000 0.299 468 P C -1.542 175.764 177.300 0.009 0.000 1.323 468 P CA -0.646 62.454 63.100 0.000 0.000 0.896 468 P CB 2.117 33.816 31.700 -0.003 0.000 1.081 469 L N 1.686 122.918 121.223 0.015 0.000 2.354 469 L HA 0.735 5.075 4.340 -0.000 0.000 0.264 469 L C 0.537 177.419 176.870 0.020 0.000 1.008 469 L CA -0.477 54.375 54.840 0.020 0.000 0.819 469 L CB 1.707 43.782 42.059 0.028 0.000 1.339 469 L HN 0.370 nan 8.230 nan 0.000 0.420 470 T N -1.428 113.137 114.554 0.019 0.000 2.841 470 T HA 0.582 4.932 4.350 -0.000 0.000 0.283 470 T C -0.151 174.561 174.700 0.020 0.000 1.000 470 T CA -0.736 61.375 62.100 0.018 0.000 0.977 470 T CB 1.340 70.216 68.868 0.014 0.000 0.979 470 T HN 0.621 nan 8.240 nan 0.000 0.446 471 N N 1.291 120.003 118.700 0.021 0.000 2.643 471 N HA -0.152 4.588 4.740 -0.000 0.000 0.267 471 N C -0.618 174.909 175.510 0.027 0.000 1.158 471 N CA 1.412 54.476 53.050 0.022 0.000 0.684 471 N CB -1.218 37.281 38.487 0.019 0.000 0.879 471 N HN 1.401 nan 8.380 nan 0.000 0.553 472 T N -2.186 112.387 114.554 0.032 0.000 2.843 472 T HA 0.567 4.917 4.350 -0.000 0.000 0.337 472 T C -0.206 174.521 174.700 0.045 0.000 1.754 472 T CA -0.598 61.527 62.100 0.041 0.000 1.052 472 T CB 1.683 70.576 68.868 0.042 0.000 1.588 472 T HN 0.090 nan 8.240 nan 0.000 0.493 473 T N 0.766 115.354 114.554 0.056 0.000 2.841 473 T HA 0.437 4.787 4.350 -0.000 0.000 0.276 473 T C 1.271 176.017 174.700 0.076 0.000 1.003 473 T CA -0.804 61.330 62.100 0.058 0.000 0.995 473 T CB 0.963 69.862 68.868 0.051 0.000 1.260 473 T HN 0.662 nan 8.240 nan 0.000 0.581 474 N N 0.750 119.498 118.700 0.079 0.000 2.061 474 N HA -0.142 4.598 4.740 -0.000 0.000 0.193 474 N C 1.754 177.347 175.510 0.138 0.000 1.030 474 N CA 1.437 54.546 53.050 0.098 0.000 0.856 474 N CB -0.370 38.174 38.487 0.094 0.000 1.023 474 N HN 0.487 nan 8.380 nan 0.000 0.424 475 Q N 0.093 119.992 119.800 0.165 0.000 2.437 475 Q HA 0.070 4.410 4.340 -0.000 0.000 0.210 475 Q C 1.326 177.505 176.000 0.299 0.000 0.972 475 Q CA 0.788 56.780 55.803 0.315 0.000 0.903 475 Q CB 0.189 29.082 28.738 0.258 0.000 0.967 475 Q HN 0.284 nan 8.270 nan 0.000 0.486 476 K N -0.357 120.149 120.400 0.176 0.000 2.099 476 K HA 0.013 4.333 4.320 -0.000 0.000 0.203 476 K C 2.297 178.951 176.600 0.091 0.000 1.047 476 K CA 1.703 58.064 56.287 0.123 0.000 0.963 476 K CB -0.588 31.966 32.500 0.089 0.000 0.759 476 K HN 0.412 nan 8.250 nan 0.000 0.451 477 T N -0.293 114.316 114.554 0.091 0.000 2.701 477 T HA -0.138 4.212 4.350 -0.000 0.000 0.263 477 T C 1.988 176.738 174.700 0.084 0.000 1.040 477 T CA 1.368 63.515 62.100 0.078 0.000 1.147 477 T CB -0.254 68.658 68.868 0.074 0.000 0.865 477 T HN 0.128 nan 8.240 nan 0.000 0.426 478 E N 0.334 120.595 120.200 0.101 0.000 2.265 478 E HA -0.001 4.349 4.350 -0.000 0.000 0.196 478 E C 1.759 178.397 176.600 0.064 0.000 0.996 478 E CA 0.540 56.998 56.400 0.097 0.000 0.832 478 E CB -0.297 29.479 29.700 0.127 0.000 0.756 478 E HN 0.455 nan 8.360 nan 0.000 0.491 479 L N -0.071 121.180 121.223 0.046 0.000 2.529 479 L HA 0.067 4.407 4.340 -0.000 0.000 0.223 479 L C 1.788 178.668 176.870 0.016 0.000 1.113 479 L CA 0.763 55.591 54.840 -0.019 0.000 0.861 479 L CB 0.123 42.136 42.059 -0.077 0.000 1.012 479 L HN 0.030 nan 8.230 nan 0.000 0.461 480 Q N -0.213 119.620 119.800 0.054 0.000 2.033 480 Q HA 0.024 4.364 4.340 -0.000 0.000 0.196 480 Q C 2.242 178.316 176.000 0.123 0.000 0.970 480 Q CA 1.831 57.686 55.803 0.087 0.000 0.828 480 Q CB -0.354 28.430 28.738 0.077 0.000 0.895 480 Q HN 0.450 nan 8.270 nan 0.000 0.440 481 A N 1.140 124.020 122.820 0.101 0.000 1.870 481 A HA -0.277 4.042 4.320 -0.000 0.000 0.219 481 A C 2.116 179.764 177.584 0.108 0.000 1.224 481 A CA 2.194 54.301 52.037 0.117 0.000 0.650 481 A CB -1.383 17.687 19.000 0.117 0.000 0.836 481 A HN 0.528 nan 8.150 nan 0.000 0.454 482 I N -1.832 118.785 120.570 0.078 0.000 2.367 482 I HA -0.329 3.841 4.170 -0.000 0.000 0.256 482 I C 2.426 178.587 176.117 0.073 0.000 1.132 482 I CA 1.929 63.256 61.300 0.045 0.000 1.397 482 I CB -0.469 37.546 38.000 0.025 0.000 1.074 482 I HN 0.582 nan 8.210 nan 0.000 0.435 483 Y N 1.701 121.971 120.300 -0.050 0.000 2.133 483 Y HA -0.169 4.381 4.550 -0.000 0.000 0.287 483 Y C 2.222 178.078 175.900 -0.074 0.000 1.134 483 Y CA 1.290 59.351 58.100 -0.065 0.000 1.133 483 Y CB -0.583 37.848 38.460 -0.048 0.000 0.987 483 Y HN -0.013 nan 8.280 nan 0.000 0.502 484 L N 0.081 121.232 121.223 -0.119 0.000 1.924 484 L HA -0.294 4.046 4.340 -0.000 0.000 0.222 484 L C 2.743 179.410 176.870 -0.338 0.000 1.081 484 L CA 1.674 56.401 54.840 -0.188 0.000 0.780 484 L CB -1.591 40.540 42.059 0.120 0.000 0.891 484 L HN 0.193 nan 8.230 nan 0.000 0.434 485 A N -0.019 122.527 122.820 -0.456 0.000 2.082 485 A HA -0.229 4.091 4.320 -0.000 0.000 0.224 485 A C 1.954 179.180 177.584 -0.597 0.000 1.179 485 A CA 1.947 53.391 52.037 -0.987 0.000 0.670 485 A CB -1.113 17.431 19.000 -0.760 0.000 0.817 485 A HN 0.482 nan 8.150 nan 0.000 0.475 486 L N -1.763 119.250 121.223 -0.349 0.000 2.737 486 L HA 0.118 4.458 4.340 -0.000 0.000 0.236 486 L C 1.547 178.260 176.870 -0.262 0.000 1.219 486 L CA 0.057 54.760 54.840 -0.228 0.000 1.021 486 L CB -0.141 41.855 42.059 -0.106 0.000 1.291 486 L HN 0.514 nan 8.230 nan 0.000 0.470 487 Q N -1.427 118.182 119.800 -0.318 0.000 2.419 487 Q HA 0.062 4.402 4.340 -0.000 0.000 0.187 487 Q C -0.131 175.750 176.000 -0.198 0.000 0.686 487 Q CA -0.213 55.431 55.803 -0.265 0.000 0.897 487 Q CB 0.564 29.086 28.738 -0.360 0.000 1.263 487 Q HN 0.197 nan 8.270 nan 0.000 0.457 488 D N 1.572 121.820 120.400 -0.254 0.000 2.848 488 D HA 0.239 4.879 4.640 -0.000 0.000 0.232 488 D C -0.853 175.309 176.300 -0.230 0.000 1.107 488 D CA 0.481 54.367 54.000 -0.190 0.000 1.020 488 D CB 0.322 41.032 40.800 -0.150 0.000 1.148 488 D HN -0.070 nan 8.370 nan 0.000 0.453 489 S N -1.347 114.314 115.700 -0.065 0.000 2.597 489 S HA 0.553 5.023 4.470 -0.000 0.000 0.274 489 S C 0.700 175.338 174.600 0.062 0.000 1.132 489 S CA -0.563 57.710 58.200 0.122 0.000 0.835 489 S CB 0.761 64.046 63.200 0.141 0.000 1.092 489 S HN 0.240 nan 8.310 nan 0.000 0.457 490 G N 1.077 109.928 108.800 0.085 0.000 2.519 490 G HA2 0.235 4.195 3.960 -0.000 0.000 0.161 490 G HA3 0.235 4.195 3.960 -0.000 0.000 0.161 490 G C 0.453 175.369 174.900 0.027 0.000 1.671 490 G CA 0.454 45.579 45.100 0.042 0.000 1.028 490 G HN 0.593 nan 8.290 nan 0.000 0.486 491 L N -0.365 120.873 121.223 0.025 0.000 2.858 491 L HA 0.424 4.764 4.340 -0.000 0.000 0.251 491 L C 0.315 177.203 176.870 0.030 0.000 1.149 491 L CA 0.304 55.158 54.840 0.023 0.000 0.955 491 L CB 0.303 42.374 42.059 0.020 0.000 1.289 491 L HN 0.410 nan 8.230 nan 0.000 0.542 492 E N -0.925 119.295 120.200 0.034 0.000 2.292 492 E HA 0.647 4.997 4.350 -0.000 0.000 0.272 492 E C -1.658 174.970 176.600 0.046 0.000 0.881 492 E CA -0.371 56.050 56.400 0.036 0.000 0.754 492 E CB 3.283 32.994 29.700 0.018 0.000 1.201 492 E HN -0.199 nan 8.360 nan 0.000 0.425 493 V N 2.466 122.417 119.914 0.062 0.000 3.236 493 V HA 0.345 4.465 4.120 -0.000 0.000 0.287 493 V C -1.972 174.180 176.094 0.098 0.000 1.491 493 V CA -0.629 61.720 62.300 0.082 0.000 1.037 493 V CB 2.493 34.420 31.823 0.174 0.000 1.160 493 V HN 0.763 nan 8.190 nan 0.000 0.453 494 N N 4.785 123.530 118.700 0.075 0.000 2.392 494 N HA 0.708 5.448 4.740 -0.000 0.000 0.283 494 N C -1.182 174.390 175.510 0.103 0.000 1.003 494 N CA -0.599 52.516 53.050 0.109 0.000 0.892 494 N CB 1.867 40.344 38.487 -0.016 0.000 1.193 494 N HN 0.539 nan 8.380 nan 0.000 0.487 495 I N 1.610 122.252 120.570 0.119 0.000 2.530 495 I HA 0.474 4.644 4.170 -0.000 0.000 0.297 495 I C -0.534 175.575 176.117 -0.013 0.000 1.011 495 I CA -1.136 60.202 61.300 0.063 0.000 1.107 495 I CB 2.136 40.171 38.000 0.058 0.000 1.285 495 I HN 0.087 nan 8.210 nan 0.000 0.436 496 V N 4.206 124.064 119.914 -0.093 0.000 2.483 496 V HA 0.490 4.610 4.120 -0.000 0.000 0.297 496 V C -0.052 176.011 176.094 -0.051 0.000 1.027 496 V CA -0.219 61.996 62.300 -0.141 0.000 0.855 496 V CB 1.982 33.553 31.823 -0.421 0.000 0.995 496 V HN 0.912 nan 8.190 nan 0.000 0.424 497 T N 2.037 116.575 114.554 -0.027 0.000 2.807 497 T HA 0.491 4.841 4.350 -0.000 0.000 0.277 497 T C 0.056 174.675 174.700 -0.136 0.000 1.006 497 T CA -0.376 61.722 62.100 -0.004 0.000 1.006 497 T CB 1.861 70.774 68.868 0.075 0.000 1.274 497 T HN 0.771 nan 8.240 nan 0.000 0.569 498 D N -1.111 119.235 120.400 -0.091 0.000 2.525 498 D HA 0.049 4.689 4.640 -0.000 0.000 0.231 498 D C 0.414 176.858 176.300 0.241 0.000 1.216 498 D CA -0.174 53.667 54.000 -0.265 0.000 0.813 498 D CB -0.153 40.503 40.800 -0.240 0.000 1.108 498 D HN 0.445 nan 8.370 nan 0.000 0.524 499 S N 0.689 116.557 115.700 0.280 0.000 2.399 499 S HA 0.213 4.683 4.470 -0.000 0.000 0.301 499 S C 0.855 175.661 174.600 0.343 0.000 1.093 499 S CA -0.403 57.988 58.200 0.318 0.000 1.077 499 S CB 1.823 65.156 63.200 0.222 0.000 0.980 499 S HN -0.178 nan 8.310 nan 0.000 0.494 500 Q N 2.629 122.610 119.800 0.302 0.000 2.124 500 Q HA -0.081 4.259 4.340 -0.000 0.000 0.202 500 Q C 1.414 177.487 176.000 0.121 0.000 0.977 500 Q CA 1.726 57.545 55.803 0.026 0.000 0.850 500 Q CB -0.725 27.925 28.738 -0.146 0.000 0.901 500 Q HN 0.907 nan 8.270 nan 0.000 0.429 501 Y N 1.349 121.688 120.300 0.065 0.000 1.993 501 Y HA -0.346 4.204 4.550 -0.000 0.000 0.267 501 Y C 2.282 178.243 175.900 0.102 0.000 1.155 501 Y CA 1.737 59.886 58.100 0.082 0.000 1.105 501 Y CB -1.126 37.389 38.460 0.091 0.000 0.960 501 Y HN 0.085 nan 8.280 nan 0.000 0.486 502 A N 0.250 122.902 122.820 -0.281 0.000 1.940 502 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 502 A C 2.267 179.781 177.584 -0.115 0.000 1.176 502 A CA 1.808 53.636 52.037 -0.349 0.000 0.631 502 A CB -1.292 17.603 19.000 -0.174 0.000 0.814 502 A HN 0.580 nan 8.150 nan 0.000 0.446 503 L N 0.204 121.427 121.223 0.001 0.000 1.994 503 L HA -0.032 4.308 4.340 -0.000 0.000 0.208 503 L C 2.373 179.247 176.870 0.007 0.000 1.071 503 L CA 2.472 57.327 54.840 0.024 0.000 0.745 503 L CB -1.535 40.564 42.059 0.067 0.000 0.892 503 L HN 0.312 nan 8.230 nan 0.000 0.431 504 G N 0.209 109.010 108.800 0.002 0.000 2.587 504 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.217 504 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.217 504 G C 1.672 176.679 174.900 0.177 0.000 1.240 504 G CA 1.488 46.613 45.100 0.042 0.000 0.794 504 G HN 0.516 nan 8.290 nan 0.000 0.580 505 I N 0.900 121.570 120.570 0.167 0.000 2.188 505 I HA -0.331 3.839 4.170 -0.000 0.000 0.246 505 I C 2.672 178.906 176.117 0.194 0.000 1.033 505 I CA 1.407 62.829 61.300 0.204 0.000 1.307 505 I CB -0.513 37.505 38.000 0.031 0.000 1.005 505 I HN 0.166 nan 8.210 nan 0.000 0.421 506 I N 0.343 120.991 120.570 0.129 0.000 2.133 506 I HA -0.251 3.919 4.170 -0.000 0.000 0.238 506 I C 2.637 178.897 176.117 0.238 0.000 1.074 506 I CA 1.618 63.026 61.300 0.179 0.000 1.342 506 I CB -1.457 36.614 38.000 0.118 0.000 1.053 506 I HN 0.380 nan 8.210 nan 0.000 0.404 507 Q N 0.989 120.913 119.800 0.207 0.000 2.197 507 Q HA -0.227 4.113 4.340 -0.000 0.000 0.211 507 Q C 2.194 178.381 176.000 0.311 0.000 0.993 507 Q CA 2.099 58.047 55.803 0.243 0.000 0.883 507 Q CB -0.463 28.396 28.738 0.202 0.000 0.916 507 Q HN 0.588 nan 8.270 nan 0.000 0.418 508 A N 0.596 123.654 122.820 0.397 0.000 2.234 508 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 508 A C 0.459 178.048 177.584 0.009 0.000 1.167 508 A CA 0.960 53.117 52.037 0.199 0.000 0.698 508 A CB -0.340 18.847 19.000 0.311 0.000 0.779 508 A HN 0.496 nan 8.150 nan 0.000 0.475 509 Q N -1.960 117.819 119.800 -0.036 0.000 2.463 509 Q HA -0.131 4.209 4.340 -0.000 0.000 0.299 509 Q C -2.215 173.685 176.000 -0.167 0.000 1.353 509 Q CA 0.355 55.939 55.803 -0.365 0.000 0.828 509 Q CB -1.856 26.537 28.738 -0.575 0.000 1.157 509 Q HN 0.600 nan 8.270 nan 0.000 0.436 510 P HA -0.077 nan 4.420 nan 0.000 0.269 510 P C 0.181 177.616 177.300 0.225 0.000 1.211 510 P CA 0.884 64.087 63.100 0.172 0.000 0.781 510 P CB 0.521 32.341 31.700 0.200 0.000 0.877 511 D N -0.643 119.856 120.400 0.165 0.000 2.615 511 D HA 0.210 4.850 4.640 -0.000 0.000 0.274 511 D C -0.293 176.045 176.300 0.062 0.000 1.512 511 D CA -0.312 53.784 54.000 0.160 0.000 0.803 511 D CB 0.033 40.981 40.800 0.247 0.000 1.182 511 D HN 0.230 nan 8.370 nan 0.000 0.473 512 K N -0.913 119.531 120.400 0.072 0.000 2.801 512 K HA 0.550 4.870 4.320 -0.000 0.000 0.287 512 K C -2.048 174.602 176.600 0.083 0.000 1.084 512 K CA -0.147 56.166 56.287 0.043 0.000 0.901 512 K CB 0.968 33.496 32.500 0.047 0.000 1.405 512 K HN -0.037 nan 8.250 nan 0.000 0.378 513 S N 1.128 116.867 115.700 0.065 0.000 2.800 513 S HA 0.481 4.951 4.470 -0.000 0.000 0.293 513 S C -0.426 174.230 174.600 0.093 0.000 1.209 513 S CA 0.018 58.293 58.200 0.125 0.000 0.884 513 S CB 1.220 64.489 63.200 0.115 0.000 1.244 513 S HN 0.620 nan 8.310 nan 0.000 0.540 514 E N 1.072 121.351 120.200 0.132 0.000 2.110 514 E HA 0.256 4.606 4.350 -0.000 0.000 0.193 514 E C 0.417 177.048 176.600 0.052 0.000 0.950 514 E CA 0.761 57.212 56.400 0.084 0.000 0.840 514 E CB 0.119 29.878 29.700 0.098 0.000 0.809 514 E HN 0.594 nan 8.360 nan 0.000 0.465 515 S N 0.794 116.531 115.700 0.063 0.000 2.565 515 S HA 0.125 4.595 4.470 -0.000 0.000 0.276 515 S C 0.851 175.423 174.600 -0.046 0.000 1.326 515 S CA -0.617 57.590 58.200 0.013 0.000 1.045 515 S CB 1.198 64.413 63.200 0.026 0.000 0.918 515 S HN 0.022 nan 8.310 nan 0.000 0.505 516 E N 1.412 121.574 120.200 -0.064 0.000 2.072 516 E HA -0.098 4.252 4.350 -0.000 0.000 0.191 516 E C 1.918 178.408 176.600 -0.183 0.000 0.985 516 E CA 0.514 56.851 56.400 -0.104 0.000 0.801 516 E CB -0.467 29.180 29.700 -0.088 0.000 0.750 516 E HN 0.672 nan 8.360 nan 0.000 0.452 517 L N 1.200 122.304 121.223 -0.197 0.000 1.997 517 L HA -0.203 4.137 4.340 -0.000 0.000 0.227 517 L C 2.035 178.702 176.870 -0.339 0.000 1.087 517 L CA 1.911 56.567 54.840 -0.307 0.000 0.797 517 L CB -1.084 40.859 42.059 -0.194 0.000 0.902 517 L HN -0.018 nan 8.230 nan 0.000 0.441 518 V N 0.569 120.334 119.914 -0.249 0.000 3.541 518 V HA -0.096 4.024 4.120 -0.000 0.000 0.272 518 V C 2.058 178.031 176.094 -0.200 0.000 1.215 518 V CA 0.899 63.044 62.300 -0.258 0.000 1.176 518 V CB -0.940 30.661 31.823 -0.369 0.000 0.854 518 V HN 0.500 nan 8.190 nan 0.000 0.496 519 N N -0.097 118.492 118.700 -0.185 0.000 2.454 519 N HA 0.008 4.748 4.740 -0.000 0.000 0.177 519 N C 1.795 177.209 175.510 -0.160 0.000 1.049 519 N CA 0.570 53.537 53.050 -0.138 0.000 0.887 519 N CB 0.498 38.920 38.487 -0.108 0.000 1.095 519 N HN 0.549 nan 8.380 nan 0.000 0.446 520 Q N 0.257 119.918 119.800 -0.231 0.000 2.204 520 Q HA 0.210 4.550 4.340 -0.000 0.000 0.198 520 Q C 1.964 177.852 176.000 -0.187 0.000 0.946 520 Q CA 0.484 56.152 55.803 -0.226 0.000 0.859 520 Q CB 0.448 28.954 28.738 -0.386 0.000 0.946 520 Q HN 0.283 nan 8.270 nan 0.000 0.474 521 I N 0.743 121.132 120.570 -0.301 0.000 2.567 521 I HA -0.252 3.918 4.170 -0.000 0.000 0.257 521 I C 1.966 177.994 176.117 -0.148 0.000 1.184 521 I CA 1.091 62.312 61.300 -0.131 0.000 1.451 521 I CB -0.165 37.740 38.000 -0.158 0.000 1.089 521 I HN 0.280 nan 8.210 nan 0.000 0.441 522 I N 0.278 120.742 120.570 -0.175 0.000 2.277 522 I HA -0.230 3.940 4.170 -0.000 0.000 0.243 522 I C 2.549 178.546 176.117 -0.201 0.000 1.094 522 I CA 0.999 62.169 61.300 -0.217 0.000 1.393 522 I CB -0.286 37.648 38.000 -0.110 0.000 1.078 522 I HN 0.124 nan 8.210 nan 0.000 0.417 523 E N 1.276 121.402 120.200 -0.122 0.000 2.097 523 E HA -0.303 4.047 4.350 -0.000 0.000 0.196 523 E C 2.292 178.856 176.600 -0.061 0.000 1.000 523 E CA 2.359 58.709 56.400 -0.084 0.000 0.804 523 E CB -0.432 29.237 29.700 -0.051 0.000 0.740 523 E HN 0.505 nan 8.360 nan 0.000 0.454 524 Q N -0.250 119.533 119.800 -0.027 0.000 2.124 524 Q HA -0.103 4.237 4.340 -0.000 0.000 0.202 524 Q C 2.210 178.155 176.000 -0.091 0.000 0.977 524 Q CA 1.717 57.502 55.803 -0.029 0.000 0.850 524 Q CB -0.738 28.009 28.738 0.015 0.000 0.901 524 Q HN 0.268 nan 8.270 nan 0.000 0.429 525 L N 0.108 121.210 121.223 -0.201 0.000 2.056 525 L HA 0.032 4.372 4.340 -0.000 0.000 0.207 525 L C 2.467 179.259 176.870 -0.130 0.000 1.078 525 L CA 1.635 56.297 54.840 -0.297 0.000 0.749 525 L CB -0.786 40.746 42.059 -0.879 0.000 0.901 525 L HN 0.621 nan 8.230 nan 0.000 0.433 526 I N -0.955 119.565 120.570 -0.085 0.000 2.493 526 I HA -0.296 3.874 4.170 -0.000 0.000 0.254 526 I C 2.573 178.725 176.117 0.058 0.000 1.160 526 I CA 1.216 62.562 61.300 0.076 0.000 1.445 526 I CB -0.026 38.021 38.000 0.078 0.000 1.086 526 I HN 0.299 nan 8.210 nan 0.000 0.433 527 K N 1.112 121.516 120.400 0.007 0.000 2.007 527 K HA -0.074 4.246 4.320 -0.000 0.000 0.206 527 K C 0.687 177.298 176.600 0.018 0.000 1.047 527 K CA 0.668 56.961 56.287 0.011 0.000 0.937 527 K CB 0.105 32.600 32.500 -0.009 0.000 0.718 527 K HN 0.215 nan 8.250 nan 0.000 0.438 528 K N 0.802 121.206 120.400 0.007 0.000 2.286 528 K HA -0.079 4.241 4.320 -0.000 0.000 0.256 528 K C 0.814 177.438 176.600 0.040 0.000 0.999 528 K CA 0.304 56.602 56.287 0.017 0.000 0.908 528 K CB 0.657 33.162 32.500 0.009 0.000 0.981 528 K HN 0.183 nan 8.250 nan 0.000 0.500 529 E N 0.570 120.795 120.200 0.041 0.000 2.389 529 E HA 0.017 4.367 4.350 -0.000 0.000 0.199 529 E C -0.568 176.066 176.600 0.057 0.000 0.978 529 E CA 0.518 56.947 56.400 0.048 0.000 0.912 529 E CB 0.553 30.275 29.700 0.036 0.000 0.907 529 E HN 0.251 nan 8.360 nan 0.000 0.494 530 K N 0.392 120.827 120.400 0.058 0.000 2.589 530 K HA 0.339 4.659 4.320 -0.000 0.000 0.253 530 K C -1.755 174.896 176.600 0.085 0.000 0.974 530 K CA -0.450 55.880 56.287 0.072 0.000 0.835 530 K CB 2.593 35.127 32.500 0.056 0.000 1.272 530 K HN -0.162 nan 8.250 nan 0.000 0.444 531 V N 2.570 122.553 119.914 0.116 0.000 3.007 531 V HA 0.550 4.670 4.120 -0.000 0.000 0.311 531 V C -1.473 174.746 176.094 0.207 0.000 1.120 531 V CA -1.009 61.372 62.300 0.135 0.000 0.980 531 V CB 2.204 34.086 31.823 0.098 0.000 1.033 531 V HN 0.801 nan 8.190 nan 0.000 0.429 532 Y N 3.374 123.699 120.300 0.041 0.000 2.442 532 Y HA 0.753 5.302 4.550 -0.000 0.000 0.330 532 Y C -2.145 173.772 175.900 0.029 0.000 1.100 532 Y CA -0.853 57.270 58.100 0.039 0.000 1.034 532 Y CB 1.549 40.022 38.460 0.023 0.000 1.285 532 Y HN 0.527 nan 8.280 nan 0.000 0.440 533 L N 5.753 126.779 121.223 -0.329 0.000 2.346 533 L HA 0.984 5.324 4.340 -0.000 0.000 0.274 533 L C -0.335 176.300 176.870 -0.393 0.000 1.007 533 L CA -0.613 54.108 54.840 -0.198 0.000 0.818 533 L CB 1.825 43.836 42.059 -0.080 0.000 1.284 533 L HN 0.769 nan 8.230 nan 0.000 0.424 534 A N 0.937 123.690 122.820 -0.111 0.000 2.435 534 A HA 0.845 5.165 4.320 -0.000 0.000 0.296 534 A C -2.121 175.520 177.584 0.095 0.000 1.147 534 A CA -0.520 51.505 52.037 -0.020 0.000 0.775 534 A CB 1.299 20.384 19.000 0.143 0.000 1.340 534 A HN 0.720 nan 8.150 nan 0.000 0.427 535 W N 0.338 121.607 121.300 -0.051 0.000 2.844 535 W HA 0.660 5.320 4.660 -0.000 0.000 0.340 535 W C -1.829 174.687 176.519 -0.004 0.000 1.093 535 W CA -0.422 56.904 57.345 -0.033 0.000 1.212 535 W CB 1.895 31.326 29.460 -0.049 0.000 1.422 535 W HN 0.570 nan 8.180 nan 0.000 0.515 536 V N 5.993 125.235 119.914 -1.119 0.000 2.851 536 V HA 0.368 4.487 4.120 -0.000 0.000 0.307 536 V C -2.041 173.120 176.094 -1.556 0.000 1.129 536 V CA -1.900 59.768 62.300 -1.054 0.000 0.932 536 V CB 3.029 34.607 31.823 -0.408 0.000 1.024 536 V HN 0.415 nan 8.190 nan 0.000 0.426 537 P HA 0.133 nan 4.420 nan 0.000 0.262 537 P C 0.116 177.225 177.300 -0.319 0.000 1.455 537 P CA 0.292 63.024 63.100 -0.613 0.000 1.217 537 P CB 0.282 31.889 31.700 -0.154 0.000 1.625 538 A N 3.557 126.181 122.820 -0.327 0.000 2.614 538 A HA -0.111 4.209 4.320 -0.000 0.000 0.231 538 A C 0.803 178.351 177.584 -0.061 0.000 1.076 538 A CA 0.551 52.488 52.037 -0.167 0.000 0.767 538 A CB -1.164 17.709 19.000 -0.212 0.000 1.012 538 A HN 0.765 nan 8.150 nan 0.000 0.512 539 H N -0.873 118.181 119.070 -0.027 0.000 2.862 539 H HA -0.238 4.318 4.556 -0.000 0.000 0.290 539 H C 1.123 176.446 175.328 -0.008 0.000 1.211 539 H CA 0.875 56.919 56.048 -0.008 0.000 1.140 539 H CB -2.002 27.765 29.762 0.009 0.000 1.341 539 H HN 0.939 nan 8.280 nan 0.000 0.392 540 K N 0.260 120.710 120.400 0.084 0.000 2.435 540 K HA 0.490 4.810 4.320 -0.000 0.000 0.199 540 K C 1.839 178.455 176.600 0.027 0.000 1.153 540 K CA 1.187 57.497 56.287 0.040 0.000 0.974 540 K CB 0.749 33.249 32.500 -0.000 0.000 0.997 540 K HN 0.761 nan 8.250 nan 0.000 0.547 541 G N -0.092 108.722 108.800 0.024 0.000 2.316 541 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.203 541 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.203 541 G C 0.014 174.918 174.900 0.006 0.000 0.999 541 G CA -0.173 44.934 45.100 0.013 0.000 0.649 541 G HN 0.380 nan 8.290 nan 0.000 0.489 542 I N 3.552 124.125 120.570 0.004 0.000 3.022 542 I HA 0.257 4.427 4.170 -0.000 0.000 0.290 542 I C 2.141 178.267 176.117 0.015 0.000 1.212 542 I CA 1.036 62.342 61.300 0.010 0.000 1.377 542 I CB -0.254 37.745 38.000 -0.002 0.000 1.417 542 I HN 0.369 nan 8.210 nan 0.000 0.540 543 G N 5.673 114.473 108.800 -0.000 0.000 2.896 543 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.225 543 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.225 543 G C 1.590 176.428 174.900 -0.104 0.000 1.265 543 G CA 1.024 46.098 45.100 -0.044 0.000 0.778 543 G HN 0.881 nan 8.290 nan 0.000 0.714 544 G N 0.072 108.749 108.800 -0.204 0.000 2.773 544 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.224 544 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.224 544 G C 1.576 176.351 174.900 -0.209 0.000 1.078 544 G CA 1.604 46.240 45.100 -0.773 0.000 0.724 544 G HN 0.620 nan 8.290 nan 0.000 0.620 545 N N -0.440 118.296 118.700 0.061 0.000 2.244 545 N HA -0.033 4.707 4.740 -0.000 0.000 0.189 545 N C 2.008 177.540 175.510 0.036 0.000 1.047 545 N CA 0.578 53.688 53.050 0.100 0.000 0.870 545 N CB 0.053 38.585 38.487 0.076 0.000 1.041 545 N HN 0.350 nan 8.380 nan 0.000 0.448 546 E N 0.695 120.902 120.200 0.012 0.000 2.217 546 E HA -0.358 3.992 4.350 -0.000 0.000 0.219 546 E C 1.919 178.513 176.600 -0.009 0.000 1.070 546 E CA 1.693 58.093 56.400 -0.000 0.000 0.889 546 E CB -0.158 29.533 29.700 -0.015 0.000 0.768 546 E HN 0.316 nan 8.360 nan 0.000 0.465 547 Q N -0.127 119.653 119.800 -0.033 0.000 1.935 547 Q HA -0.200 4.140 4.340 -0.000 0.000 0.212 547 Q C 2.410 178.411 176.000 0.002 0.000 1.008 547 Q CA 2.204 57.987 55.803 -0.033 0.000 0.868 547 Q CB -0.612 28.081 28.738 -0.075 0.000 0.946 547 Q HN 0.333 nan 8.270 nan 0.000 0.418 548 V N 0.131 120.066 119.914 0.034 0.000 2.392 548 V HA -0.278 3.842 4.120 -0.000 0.000 0.249 548 V C 1.813 177.937 176.094 0.050 0.000 1.059 548 V CA 2.054 64.393 62.300 0.065 0.000 1.051 548 V CB -0.968 30.934 31.823 0.132 0.000 0.658 548 V HN 0.337 nan 8.190 nan 0.000 0.455 549 D N 0.756 121.186 120.400 0.049 0.000 2.106 549 D HA -0.240 4.400 4.640 -0.000 0.000 0.194 549 D C 2.140 178.449 176.300 0.015 0.000 0.988 549 D CA 1.900 55.926 54.000 0.043 0.000 0.845 549 D CB -0.242 40.584 40.800 0.043 0.000 0.990 549 D HN 0.281 nan 8.370 nan 0.000 0.448 550 K N -0.363 120.036 120.400 -0.002 0.000 2.089 550 K HA -0.170 4.150 4.320 -0.000 0.000 0.210 550 K C 2.083 178.678 176.600 -0.008 0.000 1.048 550 K CA 0.949 57.228 56.287 -0.013 0.000 0.926 550 K CB -0.798 31.692 32.500 -0.017 0.000 0.714 550 K HN 0.199 nan 8.250 nan 0.000 0.448 551 L N -0.368 120.852 121.223 -0.005 0.000 2.127 551 L HA -0.111 4.229 4.340 -0.000 0.000 0.211 551 L C 1.376 178.240 176.870 -0.009 0.000 1.089 551 L CA 1.464 56.298 54.840 -0.010 0.000 0.757 551 L CB 0.070 42.122 42.059 -0.012 0.000 0.899 551 L HN 0.064 nan 8.230 nan 0.000 0.434 552 V N -2.663 117.253 119.914 0.003 0.000 3.578 552 V HA 0.160 4.280 4.120 -0.000 0.000 0.290 552 V C 1.591 177.692 176.094 0.012 0.000 1.376 552 V CA 0.596 62.901 62.300 0.009 0.000 1.083 552 V CB 0.197 32.034 31.823 0.024 0.000 0.911 552 V HN 0.260 nan 8.190 nan 0.000 0.433 553 S N 1.673 117.375 115.700 0.004 0.000 2.679 553 S HA 0.321 4.791 4.470 -0.000 0.000 0.233 553 S C 1.284 175.880 174.600 -0.006 0.000 0.951 553 S CA 0.383 58.582 58.200 -0.002 0.000 0.973 553 S CB -0.072 63.117 63.200 -0.019 0.000 0.778 553 S HN 0.543 nan 8.310 nan 0.000 0.477 554 A N 1.852 124.670 122.820 -0.004 0.000 3.026 554 A HA 0.551 4.871 4.320 -0.000 0.000 0.272 554 A C 0.953 178.537 177.584 -0.001 0.000 1.782 554 A CA 0.033 52.066 52.037 -0.005 0.000 1.451 554 A CB -1.069 17.927 19.000 -0.007 0.000 1.081 554 A HN 0.567 nan 8.150 nan 0.000 0.611 555 G N 0.514 109.313 108.800 -0.001 0.000 2.329 555 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.234 555 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.234 555 G C 0.130 175.032 174.900 0.005 0.000 2.693 555 G CA -0.063 45.039 45.100 0.003 0.000 1.036 555 G HN 0.644 nan 8.290 nan 0.000 0.602 556 I N -0.545 120.024 120.570 -0.001 0.000 3.603 556 I HA 0.538 4.708 4.170 -0.000 0.000 0.297 556 I C 1.179 177.297 176.117 0.002 0.000 1.269 556 I CA 1.273 62.571 61.300 -0.004 0.000 1.361 556 I CB 0.038 38.026 38.000 -0.021 0.000 1.063 556 I HN 0.765 nan 8.210 nan 0.000 0.448 557 R N 0.446 120.948 120.500 0.003 0.000 2.835 557 R HA 0.640 4.980 4.340 -0.000 0.000 0.271 557 R C 0.155 176.459 176.300 0.006 0.000 1.013 557 R CA 0.165 56.269 56.100 0.006 0.000 0.876 557 R CB -0.164 30.138 30.300 0.003 0.000 1.348 557 R HN 0.201 nan 8.270 nan 0.000 0.453 558 K N 0.000 120.404 120.400 0.007 0.000 2.780 558 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 558 K CA 0.000 56.291 56.287 0.007 0.000 0.838 558 K CB 0.000 32.503 32.500 0.005 0.000 1.064 558 K HN 0.000 nan 8.250 nan 0.000 0.543