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 1siu_1_A DATA FIRST_RESID 4 DATA SEQUENCE TAYTPLDVAQ AYQFPEGLDG QGQCIAIIEL GGGYDEASLA QYFASLGVPA DATA SEQUENCE PQVVSVSVDG ASNQPTGDPS GPDGHVELDI EVAGALAPGA KFAVYFAPNT DATA SEQUENCE DAGFLDAITT AIHDPTLKPS VVSISWGGPE DSWTSAAIAA MNRAFLDAAA DATA SEQUENCE LGVTVLAAAG DSGSTDGEQD GLYHVDFPAA SPYVLACGGT RLVASGGRIA DATA SEQUENCE QETVWNDGPD GGATGGGVSR IFPLPAWQEH ANVPPSANPG ASSGRGVPDL DATA SEQUENCE AGNADPATGY EVVIDGEATV IGGTSAVAPL FAALVARINQ KLGKAVGYLN DATA SEQUENCE PTLYQLPADV FHDITEGNND IANRAQIYQA GPGWDPCTGL GSPIGVRLLQ DATA SEQUENCE ALLPS 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.543 174.700 -0.261 0.000 1.109 4 T CA 0.000 61.964 62.100 -0.226 0.000 1.349 4 T CB 0.000 68.681 68.868 -0.312 0.000 0.612 5 A N -0.301 122.242 122.820 -0.461 0.000 2.517 5 A HA 0.680 5.001 4.320 0.002 0.000 0.296 5 A C -2.623 174.616 177.584 -0.576 0.000 0.983 5 A CA -1.008 50.804 52.037 -0.375 0.000 0.634 5 A CB 0.347 19.231 19.000 -0.194 0.000 1.341 5 A HN 0.929 nan 8.150 nan 0.000 0.438 6 Y N -0.812 119.357 120.300 -0.218 0.000 2.609 6 Y HA 0.660 5.213 4.550 0.005 0.000 0.336 6 Y C 0.828 176.643 175.900 -0.141 0.000 1.129 6 Y CA 0.009 57.986 58.100 -0.205 0.000 1.040 6 Y CB 1.848 40.129 38.460 -0.299 0.000 1.310 6 Y HN 1.073 nan 8.280 nan 0.000 0.460 7 T N -2.317 112.290 114.554 0.088 0.000 2.847 7 T HA 0.311 4.662 4.350 0.002 0.000 0.279 7 T C -2.266 172.496 174.700 0.104 0.000 0.984 7 T CA -1.975 60.182 62.100 0.095 0.000 0.988 7 T CB 1.516 70.408 68.868 0.041 0.000 1.040 7 T HN 0.319 nan 8.240 nan 0.000 0.528 8 P HA 0.004 nan 4.420 nan 0.000 0.218 8 P C 1.493 178.774 177.300 -0.032 0.000 1.148 8 P CA 0.589 63.777 63.100 0.146 0.000 0.822 8 P CB -0.079 31.715 31.700 0.156 0.000 0.784 9 L N -0.519 120.686 121.223 -0.030 0.000 2.141 9 L HA -0.162 4.179 4.340 0.002 0.000 0.209 9 L C 1.865 178.649 176.870 -0.143 0.000 1.094 9 L CA 1.703 56.486 54.840 -0.095 0.000 0.763 9 L CB -1.090 40.937 42.059 -0.052 0.000 0.908 9 L HN -0.050 nan 8.230 nan 0.000 0.437 10 D N -0.829 119.509 120.400 -0.103 0.000 2.144 10 D HA -0.142 4.499 4.640 0.002 0.000 0.199 10 D C 2.343 178.446 176.300 -0.329 0.000 0.984 10 D CA 1.212 55.135 54.000 -0.130 0.000 0.834 10 D CB -0.110 40.715 40.800 0.041 0.000 0.955 10 D HN 0.176 nan 8.370 nan 0.000 0.465 11 V N 1.553 121.217 119.914 -0.417 0.000 2.358 11 V HA -0.190 3.931 4.120 0.002 0.000 0.246 11 V C 2.594 178.260 176.094 -0.713 0.000 1.047 11 V CA 1.658 63.560 62.300 -0.663 0.000 1.035 11 V CB -0.749 30.785 31.823 -0.483 0.000 0.658 11 V HN 0.165 nan 8.190 nan 0.000 0.452 12 A N -0.945 121.479 122.820 -0.660 0.000 1.902 12 A HA -0.290 4.031 4.320 0.002 0.000 0.217 12 A C 2.192 179.515 177.584 -0.436 0.000 1.181 12 A CA 1.981 53.394 52.037 -1.041 0.000 0.623 12 A CB -0.489 17.854 19.000 -1.094 0.000 0.818 12 A HN 0.586 nan 8.150 nan 0.000 0.443 13 Q N -1.010 118.614 119.800 -0.293 0.000 2.172 13 Q HA -0.007 4.334 4.340 0.002 0.000 0.200 13 Q C 2.329 178.264 176.000 -0.109 0.000 0.964 13 Q CA 0.972 56.697 55.803 -0.131 0.000 0.855 13 Q CB -0.288 28.391 28.738 -0.100 0.000 0.918 13 Q HN 0.700 nan 8.270 nan 0.000 0.444 14 A N 0.015 122.695 122.820 -0.233 0.000 1.902 14 A HA -0.163 4.158 4.320 0.002 0.000 0.217 14 A C 1.032 178.638 177.584 0.037 0.000 1.181 14 A CA 1.098 53.010 52.037 -0.208 0.000 0.623 14 A CB -0.458 18.264 19.000 -0.463 0.000 0.818 14 A HN 0.381 nan 8.150 nan 0.000 0.443 15 Y N 0.172 120.479 120.300 0.011 0.000 2.470 15 Y HA 0.205 4.749 4.550 -0.011 0.000 0.302 15 Y C 0.635 176.671 175.900 0.227 0.000 1.194 15 Y CA -0.232 57.967 58.100 0.166 0.000 1.271 15 Y CB -1.302 37.409 38.460 0.419 0.000 1.092 15 Y HN 0.516 nan 8.280 nan 0.000 0.513 16 Q N -0.530 119.430 119.800 0.267 0.000 2.435 16 Q HA -0.235 4.106 4.340 0.002 0.000 0.312 16 Q C -0.777 175.397 176.000 0.291 0.000 1.333 16 Q CA 0.158 56.082 55.803 0.202 0.000 0.883 16 Q CB -1.705 27.105 28.738 0.120 0.000 1.170 16 Q HN 0.199 nan 8.270 nan 0.000 0.443 17 F N 1.303 121.289 119.950 0.060 0.000 2.553 17 F HA 0.122 4.640 4.527 -0.015 0.000 0.356 17 F C -1.243 174.570 175.800 0.022 0.000 1.142 17 F CA -1.889 56.142 58.000 0.050 0.000 1.322 17 F CB -0.264 38.780 39.000 0.073 0.000 1.126 17 F HN 0.063 nan 8.300 nan 0.000 0.599 18 P HA 0.159 nan 4.420 nan 0.000 0.280 18 P C -0.750 176.600 177.300 0.084 0.000 1.244 18 P CA -0.317 62.825 63.100 0.070 0.000 0.784 18 P CB 0.773 32.479 31.700 0.010 0.000 0.913 19 E N 0.988 121.225 120.200 0.061 0.000 2.405 19 E HA 0.404 4.755 4.350 0.002 0.000 0.253 19 E C 1.343 177.965 176.600 0.036 0.000 1.257 19 E CA 0.244 56.675 56.400 0.052 0.000 0.960 19 E CB -0.281 29.441 29.700 0.037 0.000 1.077 19 E HN 0.683 nan 8.360 nan 0.000 0.512 20 G N -0.432 108.386 108.800 0.030 0.000 2.189 20 G HA2 -0.293 3.668 3.960 0.002 0.000 0.267 20 G HA3 -0.293 3.668 3.960 0.002 0.000 0.267 20 G C -0.137 174.776 174.900 0.021 0.000 0.975 20 G CA 0.447 45.559 45.100 0.020 0.000 0.644 20 G HN 0.216 nan 8.290 nan 0.000 0.537 21 L N 0.846 122.088 121.223 0.033 0.000 2.356 21 L HA 0.529 4.870 4.340 0.002 0.000 0.277 21 L C 0.360 177.258 176.870 0.046 0.000 0.996 21 L CA -0.421 54.437 54.840 0.031 0.000 0.822 21 L CB 1.827 43.901 42.059 0.025 0.000 1.256 21 L HN 0.197 nan 8.230 nan 0.000 0.413 22 D N 0.588 121.008 120.400 0.033 0.000 2.433 22 D HA 0.149 4.790 4.640 0.002 0.000 0.211 22 D C 1.173 177.495 176.300 0.037 0.000 1.114 22 D CA 0.494 54.518 54.000 0.040 0.000 0.837 22 D CB 1.023 41.838 40.800 0.024 0.000 0.984 22 D HN 0.683 nan 8.370 nan 0.000 0.505 23 G N 0.950 109.761 108.800 0.020 0.000 2.175 23 G HA2 -0.323 3.638 3.960 0.002 0.000 0.244 23 G HA3 -0.323 3.638 3.960 0.002 0.000 0.244 23 G C 0.191 175.071 174.900 -0.032 0.000 0.982 23 G CA 0.284 45.380 45.100 -0.006 0.000 0.641 23 G HN 0.743 nan 8.290 nan 0.000 0.527 24 Q N -0.216 119.574 119.800 -0.018 0.000 2.333 24 Q HA 0.411 4.752 4.340 0.002 0.000 0.299 24 Q C 1.455 177.437 176.000 -0.030 0.000 1.067 24 Q CA 1.591 57.381 55.803 -0.023 0.000 0.943 24 Q CB 0.739 29.471 28.738 -0.010 0.000 1.233 24 Q HN 1.914 nan 8.270 nan 0.000 0.401 25 G N 1.440 110.220 108.800 -0.033 0.000 2.179 25 G HA2 -0.223 3.739 3.960 0.002 0.000 0.260 25 G HA3 -0.223 3.739 3.960 0.002 0.000 0.260 25 G C -0.384 174.489 174.900 -0.044 0.000 0.977 25 G CA 0.283 45.364 45.100 -0.031 0.000 0.641 25 G HN 0.646 nan 8.290 nan 0.000 0.533 26 Q N -0.306 119.453 119.800 -0.068 0.000 2.333 26 Q HA 0.569 4.911 4.340 0.002 0.000 0.267 26 Q C -0.286 175.629 176.000 -0.142 0.000 1.012 26 Q CA -0.417 55.333 55.803 -0.089 0.000 0.824 26 Q CB 2.093 30.777 28.738 -0.089 0.000 1.290 26 Q HN 0.573 nan 8.270 nan 0.000 0.449 27 C N 4.243 123.471 119.300 -0.121 0.000 2.382 27 C HA 0.722 5.183 4.460 0.002 0.000 0.327 27 C C -0.332 174.551 174.990 -0.178 0.000 1.250 27 C CA -0.490 58.431 59.018 -0.162 0.000 1.707 27 C CB -0.183 27.513 27.740 -0.074 0.000 2.272 27 C HN 0.820 nan 8.230 nan 0.000 0.506 28 I N 5.370 125.747 120.570 -0.321 0.000 2.378 28 I HA 0.533 4.705 4.170 0.002 0.000 0.291 28 I C 0.617 176.720 176.117 -0.024 0.000 0.992 28 I CA -0.080 61.093 61.300 -0.213 0.000 1.154 28 I CB 1.626 39.410 38.000 -0.360 0.000 1.315 28 I HN 0.878 nan 8.210 nan 0.000 0.448 29 A N 7.788 130.661 122.820 0.089 0.000 2.295 29 A HA 0.861 5.183 4.320 0.002 0.000 0.318 29 A C -0.551 177.171 177.584 0.230 0.000 1.134 29 A CA -0.442 51.730 52.037 0.226 0.000 0.827 29 A CB 0.768 19.924 19.000 0.260 0.000 1.136 29 A HN 0.666 nan 8.150 nan 0.000 0.493 30 I N 2.294 123.029 120.570 0.275 0.000 2.533 30 I HA 0.263 4.434 4.170 0.002 0.000 0.290 30 I C -1.086 175.153 176.117 0.204 0.000 1.056 30 I CA -0.713 60.715 61.300 0.214 0.000 1.057 30 I CB 1.894 39.995 38.000 0.169 0.000 1.240 30 I HN 0.367 nan 8.210 nan 0.000 0.423 31 I N 5.426 126.131 120.570 0.226 0.000 2.342 31 I HA 0.347 4.518 4.170 0.002 0.000 0.291 31 I C 0.085 176.271 176.117 0.114 0.000 1.010 31 I CA -0.437 60.982 61.300 0.197 0.000 1.308 31 I CB 0.767 38.970 38.000 0.339 0.000 1.400 31 I HN 0.475 nan 8.210 nan 0.000 0.488 32 E N 6.825 126.925 120.200 -0.167 0.000 2.256 32 E HA 0.365 4.716 4.350 0.002 0.000 0.268 32 E C -0.337 175.954 176.600 -0.516 0.000 0.877 32 E CA -0.497 55.741 56.400 -0.270 0.000 0.757 32 E CB 2.782 32.232 29.700 -0.415 0.000 1.183 32 E HN 0.440 nan 8.360 nan 0.000 0.418 33 L N 1.939 122.472 121.223 -1.151 0.000 3.034 33 L HA 0.418 4.759 4.340 0.002 0.000 0.245 33 L C 0.618 177.116 176.870 -0.619 0.000 1.295 33 L CA -0.173 53.992 54.840 -1.126 0.000 1.068 33 L CB -0.169 40.672 42.059 -2.031 0.000 1.426 33 L HN 0.730 nan 8.230 nan 0.000 0.531 34 G N -1.543 107.160 108.800 -0.162 0.000 2.325 34 G HA2 0.301 4.262 3.960 0.002 0.000 0.285 34 G HA3 0.301 4.262 3.960 0.002 0.000 0.285 34 G C -0.027 174.992 174.900 0.198 0.000 1.303 34 G CA -0.196 44.919 45.100 0.025 0.000 0.970 34 G HN 0.502 nan 8.290 nan 0.000 0.490 35 G N -1.214 107.666 108.800 0.133 0.000 2.578 35 G HA2 0.488 4.449 3.960 0.002 0.000 0.275 35 G HA3 0.488 4.449 3.960 0.002 0.000 0.275 35 G C 1.200 176.166 174.900 0.111 0.000 1.271 35 G CA 1.314 46.502 45.100 0.147 0.000 0.941 35 G HN 2.967 nan 8.290 nan 0.000 0.564 36 G N -2.703 106.197 108.800 0.167 0.000 2.368 36 G HA2 0.778 4.739 3.960 0.002 0.000 0.293 36 G HA3 0.778 4.739 3.960 0.002 0.000 0.293 36 G C -1.003 174.005 174.900 0.180 0.000 1.467 36 G CA 0.220 45.369 45.100 0.082 0.000 0.804 36 G HN 2.159 nan 8.290 nan 0.000 0.535 37 Y N -0.579 119.780 120.300 0.099 0.000 2.562 37 Y HA 0.816 5.370 4.550 0.006 0.000 0.343 37 Y C -0.881 175.037 175.900 0.030 0.000 1.025 37 Y CA -1.758 56.388 58.100 0.076 0.000 1.082 37 Y CB 2.272 40.802 38.460 0.116 0.000 1.264 37 Y HN 0.414 nan 8.280 nan 0.000 0.478 38 D N 2.362 122.832 120.400 0.117 0.000 2.373 38 D HA 0.137 4.778 4.640 0.002 0.000 0.227 38 D C 0.620 177.036 176.300 0.193 0.000 1.091 38 D CA -0.078 53.947 54.000 0.041 0.000 0.840 38 D CB 1.182 41.996 40.800 0.023 0.000 1.060 38 D HN 0.832 nan 8.370 nan 0.000 0.502 39 E N 2.884 123.205 120.200 0.200 0.000 2.019 39 E HA -0.286 4.065 4.350 0.002 0.000 0.208 39 E C 1.635 178.347 176.600 0.186 0.000 1.030 39 E CA 1.667 58.238 56.400 0.285 0.000 0.856 39 E CB -0.105 29.713 29.700 0.197 0.000 0.781 39 E HN 0.662 nan 8.360 nan 0.000 0.471 40 A N 0.846 123.736 122.820 0.117 0.000 1.958 40 A HA -0.255 4.066 4.320 0.002 0.000 0.221 40 A C 2.338 179.970 177.584 0.080 0.000 1.178 40 A CA 2.603 54.694 52.037 0.090 0.000 0.642 40 A CB -0.787 18.248 19.000 0.058 0.000 0.816 40 A HN 0.383 nan 8.150 nan 0.000 0.453 41 S N -0.390 115.352 115.700 0.070 0.000 2.368 41 S HA -0.111 4.360 4.470 0.002 0.000 0.225 41 S C 1.980 176.592 174.600 0.020 0.000 1.030 41 S CA 1.391 59.615 58.200 0.040 0.000 0.999 41 S CB -0.561 62.656 63.200 0.027 0.000 0.844 41 S HN 0.498 nan 8.310 nan 0.000 0.459 42 L N 1.286 122.532 121.223 0.037 0.000 2.042 42 L HA -0.097 4.244 4.340 0.002 0.000 0.210 42 L C 3.135 179.984 176.870 -0.036 0.000 1.076 42 L CA 1.360 56.157 54.840 -0.073 0.000 0.749 42 L CB -0.903 41.205 42.059 0.081 0.000 0.893 42 L HN 0.507 nan 8.230 nan 0.000 0.432 43 A N -0.736 122.186 122.820 0.170 0.000 2.076 43 A HA -0.249 4.072 4.320 0.002 0.000 0.220 43 A C 2.287 179.962 177.584 0.151 0.000 1.160 43 A CA 1.766 53.951 52.037 0.246 0.000 0.653 43 A CB -0.458 18.648 19.000 0.177 0.000 0.801 43 A HN 0.537 nan 8.150 nan 0.000 0.455 44 Q N -1.565 118.276 119.800 0.068 0.000 2.163 44 Q HA -0.150 4.191 4.340 0.002 0.000 0.198 44 Q C 1.910 177.909 176.000 -0.002 0.000 0.954 44 Q CA 1.548 57.372 55.803 0.036 0.000 0.851 44 Q CB -0.418 28.339 28.738 0.032 0.000 0.928 44 Q HN 0.693 nan 8.270 nan 0.000 0.459 45 Y N 0.987 121.157 120.300 -0.216 0.000 2.145 45 Y HA -0.220 4.331 4.550 0.001 0.000 0.286 45 Y C 1.755 177.508 175.900 -0.245 0.000 1.145 45 Y CA 1.876 59.792 58.100 -0.307 0.000 1.148 45 Y CB -0.638 37.504 38.460 -0.530 0.000 0.981 45 Y HN 0.031 nan 8.280 nan 0.000 0.507 46 F N 0.464 120.357 119.950 -0.095 0.000 2.095 46 F HA -0.198 4.326 4.527 -0.004 0.000 0.298 46 F C 2.731 178.433 175.800 -0.163 0.000 1.104 46 F CA 1.327 59.226 58.000 -0.168 0.000 1.232 46 F CB -1.594 37.393 39.000 -0.022 0.000 0.987 46 F HN 0.163 nan 8.300 nan 0.000 0.475 47 A N 0.365 123.227 122.820 0.070 0.000 1.892 47 A HA -0.280 4.041 4.320 0.002 0.000 0.218 47 A C 2.447 180.007 177.584 -0.040 0.000 1.188 47 A CA 2.827 54.879 52.037 0.024 0.000 0.631 47 A CB -1.436 17.582 19.000 0.030 0.000 0.822 47 A HN 0.455 nan 8.150 nan 0.000 0.447 48 S N -0.129 115.513 115.700 -0.096 0.000 2.383 48 S HA -0.090 4.381 4.470 0.002 0.000 0.229 48 S C 1.719 176.231 174.600 -0.147 0.000 1.030 48 S CA 1.557 59.686 58.200 -0.118 0.000 1.002 48 S CB -0.661 62.455 63.200 -0.140 0.000 0.829 48 S HN 0.453 nan 8.310 nan 0.000 0.467 49 L N 1.096 122.187 121.223 -0.219 0.000 2.552 49 L HA 0.204 4.545 4.340 0.002 0.000 0.227 49 L C 1.760 178.584 176.870 -0.077 0.000 1.146 49 L CA 0.439 55.172 54.840 -0.178 0.000 0.858 49 L CB -1.053 40.861 42.059 -0.241 0.000 0.969 49 L HN 0.671 nan 8.230 nan 0.000 0.451 50 G N 1.240 110.009 108.800 -0.051 0.000 2.198 50 G HA2 -0.237 3.724 3.960 0.002 0.000 0.257 50 G HA3 -0.237 3.724 3.960 0.002 0.000 0.257 50 G C -0.014 174.886 174.900 -0.001 0.000 1.042 50 G CA 0.412 45.500 45.100 -0.019 0.000 0.791 50 G HN 0.306 nan 8.290 nan 0.000 0.502 51 V N -2.134 117.792 119.914 0.021 0.000 2.769 51 V HA 0.927 5.048 4.120 0.002 0.000 0.312 51 V C -2.150 173.959 176.094 0.025 0.000 1.061 51 V CA -2.486 59.826 62.300 0.020 0.000 0.931 51 V CB 2.158 33.995 31.823 0.024 0.000 1.010 51 V HN 0.074 nan 8.190 nan 0.000 0.433 52 P HA 0.217 nan 4.420 nan 0.000 0.264 52 P C -0.267 176.984 177.300 -0.081 0.000 1.183 52 P CA 0.399 63.488 63.100 -0.018 0.000 0.763 52 P CB 0.438 32.124 31.700 -0.024 0.000 0.807 53 A N 5.928 128.740 122.820 -0.013 0.000 2.404 53 A HA 0.421 4.742 4.320 0.002 0.000 0.273 53 A C -1.748 175.760 177.584 -0.127 0.000 1.144 53 A CA -1.202 50.806 52.037 -0.048 0.000 0.806 53 A CB -0.812 18.303 19.000 0.192 0.000 1.080 53 A HN 0.417 nan 8.150 nan 0.000 0.509 54 P HA 0.062 nan 4.420 nan 0.000 0.272 54 P C -0.502 176.820 177.300 0.037 0.000 1.223 54 P CA -0.276 62.773 63.100 -0.085 0.000 0.784 54 P CB 0.526 32.189 31.700 -0.062 0.000 0.923 55 Q N 1.212 121.071 119.800 0.099 0.000 2.313 55 Q HA 0.350 4.691 4.340 0.002 0.000 0.266 55 Q C -1.326 174.772 176.000 0.164 0.000 0.989 55 Q CA -0.292 55.577 55.803 0.110 0.000 0.890 55 Q CB 0.422 29.209 28.738 0.081 0.000 1.200 55 Q HN 0.211 nan 8.270 nan 0.000 0.396 56 V N 5.162 125.165 119.914 0.149 0.000 2.638 56 V HA 0.574 4.695 4.120 0.002 0.000 0.306 56 V C -0.528 175.672 176.094 0.176 0.000 1.052 56 V CA -0.765 61.625 62.300 0.150 0.000 0.885 56 V CB 1.712 33.557 31.823 0.037 0.000 0.999 56 V HN 0.720 nan 8.190 nan 0.000 0.424 57 V N 1.152 121.162 119.914 0.159 0.000 2.876 57 V HA 0.814 4.935 4.120 0.002 0.000 0.312 57 V C -0.327 175.863 176.094 0.160 0.000 1.085 57 V CA -0.382 62.010 62.300 0.154 0.000 0.945 57 V CB 2.176 34.043 31.823 0.074 0.000 1.017 57 V HN 0.702 nan 8.190 nan 0.000 0.428 58 S N 2.368 118.194 115.700 0.210 0.000 2.489 58 S HA 0.825 5.297 4.470 0.002 0.000 0.291 58 S C -0.491 174.166 174.600 0.095 0.000 1.151 58 S CA -0.482 57.885 58.200 0.277 0.000 1.082 58 S CB 1.490 64.866 63.200 0.292 0.000 1.019 58 S HN 0.867 nan 8.310 nan 0.000 0.492 59 V N 2.670 122.611 119.914 0.047 0.000 2.577 59 V HA 0.417 4.539 4.120 0.002 0.000 0.303 59 V C 0.047 176.235 176.094 0.158 0.000 1.042 59 V CA -0.836 61.460 62.300 -0.006 0.000 0.872 59 V CB 1.927 33.615 31.823 -0.225 0.000 0.998 59 V HN 0.821 nan 8.190 nan 0.000 0.423 60 S N 4.300 120.082 115.700 0.137 0.000 2.455 60 S HA 0.514 4.985 4.470 0.002 0.000 0.278 60 S C -0.477 174.216 174.600 0.155 0.000 1.216 60 S CA -0.269 58.016 58.200 0.142 0.000 1.055 60 S CB 0.410 63.655 63.200 0.075 0.000 0.939 60 S HN 0.515 nan 8.310 nan 0.000 0.494 61 V N 5.150 125.171 119.914 0.177 0.000 2.513 61 V HA 0.352 4.473 4.120 0.002 0.000 0.299 61 V C -0.432 175.721 176.094 0.099 0.000 1.035 61 V CA -0.726 61.663 62.300 0.148 0.000 0.889 61 V CB 1.573 33.503 31.823 0.177 0.000 0.988 61 V HN 0.980 nan 8.190 nan 0.000 0.440 62 D N 3.889 124.334 120.400 0.076 0.000 2.697 62 D HA -0.175 4.467 4.640 0.002 0.000 0.235 62 D C 1.297 177.621 176.300 0.040 0.000 1.167 62 D CA 1.648 55.679 54.000 0.051 0.000 0.656 62 D CB -1.171 39.656 40.800 0.046 0.000 1.025 62 D HN 1.403 nan 8.370 nan 0.000 0.419 63 G N -1.633 107.190 108.800 0.038 0.000 2.196 63 G HA2 -0.140 3.821 3.960 0.002 0.000 0.268 63 G HA3 -0.140 3.821 3.960 0.002 0.000 0.268 63 G C 0.565 175.477 174.900 0.019 0.000 0.975 63 G CA 0.925 46.039 45.100 0.023 0.000 0.648 63 G HN 1.188 nan 8.290 nan 0.000 0.538 64 A N -0.745 122.099 122.820 0.039 0.000 2.256 64 A HA 1.016 5.337 4.320 0.002 0.000 0.318 64 A C 0.573 178.174 177.584 0.028 0.000 1.103 64 A CA 0.826 52.882 52.037 0.032 0.000 0.860 64 A CB 1.397 20.434 19.000 0.063 0.000 1.182 64 A HN 2.143 nan 8.150 nan 0.000 0.501 65 S N -0.406 115.258 115.700 -0.060 0.000 2.655 65 S HA 0.350 4.821 4.470 0.002 0.000 0.266 65 S C -1.001 173.183 174.600 -0.693 0.000 1.149 65 S CA -0.840 57.233 58.200 -0.213 0.000 0.818 65 S CB 0.561 63.671 63.200 -0.151 0.000 1.130 65 S HN 0.812 nan 8.310 nan 0.000 0.476 66 N N 1.862 119.966 118.700 -0.992 0.000 2.423 66 N HA 0.144 4.885 4.740 0.002 0.000 0.275 66 N C -0.934 174.208 175.510 -0.614 0.000 1.283 66 N CA 0.487 52.791 53.050 -1.242 0.000 0.932 66 N CB -0.419 37.541 38.487 -0.878 0.000 1.185 66 N HN 0.531 nan 8.380 nan 0.000 0.483 67 Q N 4.264 123.775 119.800 -0.483 0.000 3.244 67 Q HA 0.266 4.607 4.340 0.002 0.000 0.249 67 Q C -2.527 173.380 176.000 -0.156 0.000 0.951 67 Q CA -1.433 54.218 55.803 -0.253 0.000 0.740 67 Q CB 1.925 30.552 28.738 -0.185 0.000 1.334 67 Q HN 0.541 nan 8.270 nan 0.000 0.448 68 P HA -0.002 nan 4.420 nan 0.000 0.271 68 P C 0.908 178.184 177.300 -0.040 0.000 1.220 68 P CA 0.276 63.344 63.100 -0.054 0.000 0.768 68 P CB 0.955 32.626 31.700 -0.048 0.000 0.848 69 T N -0.916 113.632 114.554 -0.010 0.000 3.057 69 T HA 0.216 4.567 4.350 0.002 0.000 0.254 69 T C 1.397 176.097 174.700 0.000 0.000 1.094 69 T CA 0.915 63.012 62.100 -0.004 0.000 1.088 69 T CB -0.688 68.187 68.868 0.012 0.000 0.934 69 T HN 0.593 nan 8.240 nan 0.000 0.497 70 G N 1.175 109.978 108.800 0.005 0.000 2.217 70 G HA2 -0.217 3.744 3.960 0.002 0.000 0.246 70 G HA3 -0.217 3.744 3.960 0.002 0.000 0.246 70 G C -0.179 174.728 174.900 0.012 0.000 0.990 70 G CA 0.074 45.177 45.100 0.005 0.000 0.627 70 G HN 0.724 nan 8.290 nan 0.000 0.522 71 D N 1.260 121.672 120.400 0.021 0.000 2.325 71 D HA 0.499 5.141 4.640 0.002 0.000 0.251 71 D C -0.448 175.870 176.300 0.031 0.000 1.196 71 D CA -2.130 51.884 54.000 0.024 0.000 0.866 71 D CB 1.444 42.262 40.800 0.030 0.000 1.101 71 D HN 0.125 nan 8.370 nan 0.000 0.476 72 P HA -0.078 nan 4.420 nan 0.000 0.216 72 P C 1.060 178.375 177.300 0.025 0.000 1.153 72 P CA 0.826 63.937 63.100 0.017 0.000 0.848 72 P CB 0.301 32.004 31.700 0.004 0.000 0.787 73 S N -1.078 114.638 115.700 0.026 0.000 2.522 73 S HA 0.107 4.578 4.470 0.002 0.000 0.227 73 S C 1.382 176.014 174.600 0.052 0.000 0.986 73 S CA 0.649 58.868 58.200 0.031 0.000 0.929 73 S CB -0.870 62.345 63.200 0.026 0.000 0.769 73 S HN 0.243 nan 8.310 nan 0.000 0.529 74 G N 2.152 110.990 108.800 0.064 0.000 2.494 74 G HA2 0.223 4.184 3.960 0.002 0.000 0.270 74 G HA3 0.223 4.184 3.960 0.002 0.000 0.270 74 G C -1.487 173.496 174.900 0.139 0.000 1.423 74 G CA -0.708 44.447 45.100 0.093 0.000 1.055 74 G HN 0.104 nan 8.290 nan 0.000 0.536 75 P HA -0.066 nan 4.420 nan 0.000 0.221 75 P C 0.677 178.127 177.300 0.249 0.000 1.145 75 P CA 1.049 64.322 63.100 0.288 0.000 0.795 75 P CB 0.142 32.020 31.700 0.298 0.000 0.775 76 D N 0.196 120.697 120.400 0.168 0.000 2.178 76 D HA -0.105 4.536 4.640 0.002 0.000 0.201 76 D C 2.305 178.678 176.300 0.122 0.000 0.980 76 D CA 1.616 55.703 54.000 0.146 0.000 0.842 76 D CB -1.034 39.819 40.800 0.088 0.000 0.948 76 D HN 0.225 nan 8.370 nan 0.000 0.472 77 G N -0.661 108.196 108.800 0.096 0.000 2.422 77 G HA2 -0.271 3.690 3.960 0.002 0.000 0.218 77 G HA3 -0.271 3.690 3.960 0.002 0.000 0.218 77 G C 1.455 176.385 174.900 0.051 0.000 1.140 77 G CA 0.770 45.894 45.100 0.039 0.000 0.775 77 G HN 0.415 nan 8.290 nan 0.000 0.545 78 H N -0.725 118.329 119.070 -0.026 0.000 2.363 78 H HA 0.030 4.582 4.556 -0.007 0.000 0.301 78 H C 2.606 177.927 175.328 -0.012 0.000 1.074 78 H CA 0.824 56.812 56.048 -0.100 0.000 1.354 78 H CB 0.310 29.943 29.762 -0.216 0.000 1.397 78 H HN 0.161 nan 8.280 nan 0.000 0.516 79 V N 0.994 121.066 119.914 0.264 0.000 2.307 79 V HA -0.198 3.924 4.120 0.002 0.000 0.245 79 V C 1.932 178.101 176.094 0.125 0.000 1.045 79 V CA 2.077 64.521 62.300 0.239 0.000 1.024 79 V CB -0.276 31.759 31.823 0.352 0.000 0.651 79 V HN 0.518 nan 8.190 nan 0.000 0.449 80 E N -0.404 119.841 120.200 0.076 0.000 2.230 80 E HA -0.106 4.245 4.350 0.002 0.000 0.192 80 E C 2.075 178.594 176.600 -0.135 0.000 0.987 80 E CA 0.572 56.952 56.400 -0.033 0.000 0.841 80 E CB -0.062 29.611 29.700 -0.046 0.000 0.783 80 E HN 0.405 nan 8.360 nan 0.000 0.481 81 L N 1.773 122.928 121.223 -0.113 0.000 2.083 81 L HA -0.173 4.168 4.340 0.002 0.000 0.209 81 L C 1.605 178.384 176.870 -0.152 0.000 1.083 81 L CA 1.702 56.441 54.840 -0.169 0.000 0.752 81 L CB -0.123 41.829 42.059 -0.177 0.000 0.899 81 L HN -0.046 nan 8.230 nan 0.000 0.433 82 D N -0.455 119.902 120.400 -0.072 0.000 2.097 82 D HA -0.136 4.505 4.640 0.002 0.000 0.197 82 D C 2.271 178.529 176.300 -0.071 0.000 0.984 82 D CA 1.820 55.794 54.000 -0.043 0.000 0.826 82 D CB -0.023 40.805 40.800 0.047 0.000 0.973 82 D HN 0.416 nan 8.370 nan 0.000 0.460 83 I N 1.116 121.621 120.570 -0.107 0.000 2.353 83 I HA -0.160 4.011 4.170 0.002 0.000 0.248 83 I C 2.223 178.274 176.117 -0.110 0.000 1.119 83 I CA 0.884 62.067 61.300 -0.195 0.000 1.417 83 I CB -0.127 37.726 38.000 -0.245 0.000 1.078 83 I HN -0.072 nan 8.210 nan 0.000 0.421 84 E N 0.339 120.474 120.200 -0.108 0.000 2.072 84 E HA -0.137 4.214 4.350 0.002 0.000 0.190 84 E C 2.380 179.051 176.600 0.119 0.000 0.982 84 E CA 1.082 57.456 56.400 -0.043 0.000 0.803 84 E CB -0.029 29.327 29.700 -0.574 0.000 0.755 84 E HN 0.266 nan 8.360 nan 0.000 0.453 85 V N 1.369 121.256 119.914 -0.044 0.000 2.270 85 V HA -0.221 3.900 4.120 0.002 0.000 0.245 85 V C 2.282 178.396 176.094 0.032 0.000 1.043 85 V CA 1.962 64.233 62.300 -0.048 0.000 1.014 85 V CB -0.508 31.168 31.823 -0.245 0.000 0.645 85 V HN 0.305 nan 8.190 nan 0.000 0.447 86 A N 0.091 122.922 122.820 0.018 0.000 1.968 86 A HA 0.037 4.358 4.320 0.002 0.000 0.217 86 A C 2.344 179.967 177.584 0.065 0.000 1.169 86 A CA 1.531 53.642 52.037 0.123 0.000 0.638 86 A CB -0.980 18.170 19.000 0.251 0.000 0.812 86 A HN 0.525 nan 8.150 nan 0.000 0.446 87 G N -0.360 108.271 108.800 -0.282 0.000 2.408 87 G HA2 0.041 4.002 3.960 0.002 0.000 0.217 87 G HA3 0.041 4.002 3.960 0.002 0.000 0.217 87 G C 1.645 176.385 174.900 -0.266 0.000 1.150 87 G CA 1.190 45.922 45.100 -0.612 0.000 0.776 87 G HN 0.737 nan 8.290 nan 0.000 0.542 88 A N -0.297 122.599 122.820 0.126 0.000 2.014 88 A HA 0.251 4.572 4.320 0.002 0.000 0.218 88 A C 2.132 179.767 177.584 0.085 0.000 1.163 88 A CA 1.033 53.177 52.037 0.178 0.000 0.652 88 A CB -0.111 19.077 19.000 0.313 0.000 0.808 88 A HN 0.312 nan 8.150 nan 0.000 0.449 89 L N -2.168 119.126 121.223 0.119 0.000 2.470 89 L HA 0.394 4.735 4.340 0.002 0.000 0.219 89 L C 1.200 178.183 176.870 0.189 0.000 1.071 89 L CA 1.033 55.963 54.840 0.151 0.000 0.850 89 L CB -0.075 42.108 42.059 0.207 0.000 1.040 89 L HN 0.291 nan 8.230 nan 0.000 0.475 90 A N 0.289 123.242 122.820 0.222 0.000 2.978 90 A HA 0.585 4.906 4.320 0.002 0.000 0.341 90 A C -1.979 175.747 177.584 0.237 0.000 1.105 90 A CA -0.726 51.438 52.037 0.212 0.000 0.819 90 A CB 0.172 19.296 19.000 0.206 0.000 1.080 90 A HN 0.022 nan 8.150 nan 0.000 0.476 91 P HA 0.076 nan 4.420 nan 0.000 0.251 91 P C 1.103 178.423 177.300 0.032 0.000 1.223 91 P CA 0.997 64.102 63.100 0.007 0.000 0.796 91 P CB 0.409 32.049 31.700 -0.099 0.000 1.068 92 G N -0.582 108.241 108.800 0.039 0.000 3.189 92 G HA2 0.394 4.355 3.960 0.002 0.000 0.225 92 G HA3 0.394 4.355 3.960 0.002 0.000 0.225 92 G C 0.485 175.382 174.900 -0.005 0.000 1.159 92 G CA 0.119 45.228 45.100 0.014 0.000 0.763 92 G HN 0.411 nan 8.290 nan 0.000 0.549 93 A N 0.515 123.327 122.820 -0.013 0.000 2.295 93 A HA 0.693 5.014 4.320 0.002 0.000 0.318 93 A C 0.094 177.564 177.584 -0.189 0.000 1.134 93 A CA -0.695 51.244 52.037 -0.163 0.000 0.827 93 A CB 0.847 19.641 19.000 -0.343 0.000 1.136 93 A HN 0.267 nan 8.150 nan 0.000 0.493 94 K N 0.786 121.061 120.400 -0.209 0.000 2.249 94 K HA 0.460 4.781 4.320 0.002 0.000 0.280 94 K C -1.559 174.876 176.600 -0.274 0.000 1.033 94 K CA 0.246 56.463 56.287 -0.117 0.000 0.946 94 K CB 0.707 33.176 32.500 -0.051 0.000 1.005 94 K HN 0.461 nan 8.250 nan 0.000 0.469 95 F N 1.043 120.987 119.950 -0.010 0.000 2.443 95 F HA 0.445 4.965 4.527 -0.012 0.000 0.335 95 F C 0.147 175.939 175.800 -0.012 0.000 1.104 95 F CA -0.710 57.283 58.000 -0.011 0.000 1.013 95 F CB 1.886 40.861 39.000 -0.041 0.000 1.136 95 F HN 0.540 nan 8.300 nan 0.000 0.470 96 A N 3.076 125.974 122.820 0.130 0.000 2.375 96 A HA 0.723 5.044 4.320 0.002 0.000 0.291 96 A C -1.557 176.013 177.584 -0.025 0.000 1.160 96 A CA -0.605 51.438 52.037 0.009 0.000 0.747 96 A CB 0.700 19.742 19.000 0.069 0.000 1.170 96 A HN 0.501 nan 8.150 nan 0.000 0.458 97 V N 3.255 123.070 119.914 -0.166 0.000 2.357 97 V HA 0.343 4.465 4.120 0.002 0.000 0.284 97 V C -1.172 174.687 176.094 -0.391 0.000 1.018 97 V CA -0.417 61.773 62.300 -0.184 0.000 0.841 97 V CB 0.480 32.231 31.823 -0.119 0.000 0.991 97 V HN 0.721 nan 8.190 nan 0.000 0.437 98 Y N 4.536 124.725 120.300 -0.185 0.000 2.353 98 Y HA 0.611 5.159 4.550 -0.003 0.000 0.340 98 Y C -0.145 175.601 175.900 -0.256 0.000 0.972 98 Y CA -0.733 57.312 58.100 -0.091 0.000 1.157 98 Y CB 0.995 39.458 38.460 0.006 0.000 1.157 98 Y HN 0.512 nan 8.280 nan 0.000 0.495 99 F N 2.342 122.369 119.950 0.129 0.000 2.404 99 F HA 0.730 5.264 4.527 0.012 0.000 0.339 99 F C 0.382 176.200 175.800 0.030 0.000 1.105 99 F CA -0.650 57.376 58.000 0.043 0.000 1.087 99 F CB 1.198 40.208 39.000 0.016 0.000 1.143 99 F HN 0.508 nan 8.300 nan 0.000 0.491 100 A N 3.732 126.608 122.820 0.094 0.000 2.515 100 A HA 0.861 5.182 4.320 0.002 0.000 0.296 100 A C -2.892 174.671 177.584 -0.034 0.000 1.094 100 A CA -2.112 49.951 52.037 0.044 0.000 0.718 100 A CB 1.378 20.404 19.000 0.043 0.000 1.307 100 A HN 0.430 nan 8.150 nan 0.000 0.408 101 P HA 0.041 nan 4.420 nan 0.000 0.268 101 P C -0.290 176.935 177.300 -0.125 0.000 1.208 101 P CA -0.124 62.940 63.100 -0.060 0.000 0.777 101 P CB 0.352 32.036 31.700 -0.028 0.000 0.875 102 N N 1.576 120.184 118.700 -0.154 0.000 3.059 102 N HA 0.014 4.755 4.740 0.002 0.000 0.321 102 N C -0.562 174.869 175.510 -0.131 0.000 1.224 102 N CA 0.279 53.204 53.050 -0.208 0.000 1.197 102 N CB -0.928 37.462 38.487 -0.161 0.000 1.453 102 N HN 0.423 nan 8.380 nan 0.000 0.544 103 T N -3.421 111.078 114.554 -0.091 0.000 2.812 103 T HA 0.292 4.643 4.350 0.002 0.000 0.294 103 T C 0.803 175.516 174.700 0.021 0.000 1.159 103 T CA -0.763 61.306 62.100 -0.051 0.000 1.008 103 T CB 1.130 69.980 68.868 -0.031 0.000 1.289 103 T HN -0.189 nan 8.240 nan 0.000 0.514 104 D N 0.807 121.188 120.400 -0.032 0.000 2.127 104 D HA -0.117 4.524 4.640 0.002 0.000 0.190 104 D C 2.351 178.745 176.300 0.156 0.000 1.000 104 D CA 2.423 56.428 54.000 0.008 0.000 0.839 104 D CB -0.678 40.080 40.800 -0.071 0.000 0.955 104 D HN 0.750 nan 8.370 nan 0.000 0.446 105 A N 0.122 122.995 122.820 0.089 0.000 1.877 105 A HA -0.039 4.282 4.320 0.002 0.000 0.216 105 A C 2.384 180.033 177.584 0.109 0.000 1.186 105 A CA 2.361 54.452 52.037 0.089 0.000 0.620 105 A CB -1.205 17.824 19.000 0.048 0.000 0.822 105 A HN 0.337 nan 8.150 nan 0.000 0.443 106 G N -1.435 107.421 108.800 0.093 0.000 2.418 106 G HA2 -0.192 3.769 3.960 0.002 0.000 0.217 106 G HA3 -0.192 3.769 3.960 0.002 0.000 0.217 106 G C 1.436 176.440 174.900 0.172 0.000 1.158 106 G CA 1.052 46.206 45.100 0.089 0.000 0.771 106 G HN 0.356 nan 8.290 nan 0.000 0.545 107 F N 1.267 121.230 119.950 0.021 0.000 2.091 107 F HA -0.083 4.432 4.527 -0.019 0.000 0.299 107 F C 2.378 178.248 175.800 0.115 0.000 1.103 107 F CA 1.153 59.200 58.000 0.079 0.000 1.228 107 F CB -0.839 38.282 39.000 0.201 0.000 0.984 107 F HN 0.148 nan 8.300 nan 0.000 0.477 108 L N 0.938 122.313 121.223 0.253 0.000 2.017 108 L HA -0.201 4.140 4.340 0.002 0.000 0.208 108 L C 1.979 178.878 176.870 0.049 0.000 1.073 108 L CA 2.241 57.126 54.840 0.074 0.000 0.745 108 L CB -1.362 40.750 42.059 0.088 0.000 0.894 108 L HN 0.054 nan 8.230 nan 0.000 0.432 109 D N -0.034 120.414 120.400 0.080 0.000 2.264 109 D HA -0.102 4.539 4.640 0.002 0.000 0.208 109 D C 2.128 178.461 176.300 0.056 0.000 0.966 109 D CA 1.248 55.282 54.000 0.056 0.000 0.864 109 D CB -0.162 40.675 40.800 0.061 0.000 0.933 109 D HN 0.533 nan 8.370 nan 0.000 0.499 110 A N 0.861 123.740 122.820 0.097 0.000 1.872 110 A HA -0.064 4.257 4.320 0.002 0.000 0.214 110 A C 2.331 179.894 177.584 -0.036 0.000 1.187 110 A CA 0.581 52.666 52.037 0.080 0.000 0.614 110 A CB -0.647 18.448 19.000 0.158 0.000 0.826 110 A HN 0.122 nan 8.150 nan 0.000 0.442 111 I N 0.448 121.026 120.570 0.014 0.000 2.208 111 I HA -0.260 3.911 4.170 0.002 0.000 0.245 111 I C 2.908 178.949 176.117 -0.127 0.000 1.097 111 I CA 1.953 63.220 61.300 -0.055 0.000 1.363 111 I CB -0.370 37.577 38.000 -0.088 0.000 1.051 111 I HN 0.569 nan 8.210 nan 0.000 0.413 112 T N -2.815 111.690 114.554 -0.082 0.000 2.857 112 T HA -0.120 4.231 4.350 0.002 0.000 0.266 112 T C 1.800 176.523 174.700 0.039 0.000 1.048 112 T CA 1.712 63.815 62.100 0.004 0.000 1.139 112 T CB -0.739 68.171 68.868 0.070 0.000 0.874 112 T HN 0.232 nan 8.240 nan 0.000 0.455 113 T N 1.956 116.481 114.554 -0.049 0.000 2.821 113 T HA 0.204 4.555 4.350 0.002 0.000 0.267 113 T C 2.462 177.011 174.700 -0.251 0.000 1.046 113 T CA 1.078 63.139 62.100 -0.065 0.000 1.139 113 T CB -0.722 68.138 68.868 -0.014 0.000 0.871 113 T HN 0.599 nan 8.240 nan 0.000 0.454 114 A N 1.343 123.793 122.820 -0.617 0.000 1.855 114 A HA 0.024 4.345 4.320 0.002 0.000 0.215 114 A C 2.282 179.687 177.584 -0.298 0.000 1.191 114 A CA 1.102 52.656 52.037 -0.807 0.000 0.613 114 A CB -0.885 17.530 19.000 -0.975 0.000 0.829 114 A HN 0.455 nan 8.150 nan 0.000 0.442 115 I N -0.943 119.462 120.570 -0.275 0.000 2.194 115 I HA -0.331 3.840 4.170 0.002 0.000 0.246 115 I C 2.138 178.049 176.117 -0.344 0.000 1.093 115 I CA 1.885 63.003 61.300 -0.303 0.000 1.355 115 I CB -0.318 37.442 38.000 -0.400 0.000 1.046 115 I HN 0.468 nan 8.210 nan 0.000 0.413 116 H N -1.228 117.797 119.070 -0.076 0.000 2.553 116 H HA 0.050 4.609 4.556 0.005 0.000 0.265 116 H C 0.487 175.806 175.328 -0.015 0.000 0.964 116 H CA -0.195 55.828 56.048 -0.041 0.000 1.156 116 H CB -0.046 29.692 29.762 -0.042 0.000 1.411 116 H HN 0.112 nan 8.280 nan 0.000 0.558 117 D N 2.873 123.315 120.400 0.070 0.000 2.536 117 D HA -0.071 4.570 4.640 0.002 0.000 0.260 117 D C -1.328 175.022 176.300 0.085 0.000 1.270 117 D CA -0.715 53.345 54.000 0.100 0.000 0.934 117 D CB 0.902 41.793 40.800 0.152 0.000 1.129 117 D HN 0.285 nan 8.370 nan 0.000 0.533 118 P HA -0.054 nan 4.420 nan 0.000 0.233 118 P C 0.843 178.176 177.300 0.056 0.000 1.167 118 P CA 0.586 63.723 63.100 0.061 0.000 0.770 118 P CB 0.547 32.280 31.700 0.054 0.000 0.837 119 T N -0.449 114.146 114.554 0.069 0.000 3.087 119 T HA 0.167 4.518 4.350 0.002 0.000 0.237 119 T C 1.910 176.647 174.700 0.061 0.000 0.990 119 T CA 0.311 62.446 62.100 0.059 0.000 1.160 119 T CB -0.620 68.284 68.868 0.061 0.000 0.923 119 T HN -0.013 nan 8.240 nan 0.000 0.442 120 L N 0.607 121.881 121.223 0.086 0.000 2.109 120 L HA 0.140 4.481 4.340 0.002 0.000 0.207 120 L C 0.658 177.563 176.870 0.058 0.000 1.086 120 L CA 0.845 55.731 54.840 0.077 0.000 0.760 120 L CB -0.481 41.647 42.059 0.116 0.000 0.910 120 L HN 0.274 nan 8.230 nan 0.000 0.437 121 K N -0.625 119.815 120.400 0.066 0.000 3.239 121 K HA -0.122 4.199 4.320 0.002 0.000 0.270 121 K C -2.225 174.386 176.600 0.018 0.000 1.049 121 K CA -0.179 56.128 56.287 0.035 0.000 0.769 121 K CB -1.493 31.021 32.500 0.022 0.000 1.305 121 K HN 0.284 nan 8.250 nan 0.000 0.469 122 P HA -0.032 nan 4.420 nan 0.000 0.268 122 P C 0.440 177.733 177.300 -0.012 0.000 1.205 122 P CA 0.210 63.316 63.100 0.009 0.000 0.771 122 P CB 1.381 33.108 31.700 0.044 0.000 0.858 123 S N 1.284 116.970 115.700 -0.024 0.000 2.517 123 S HA 0.197 4.668 4.470 0.002 0.000 0.214 123 S C 0.727 175.318 174.600 -0.015 0.000 0.991 123 S CA -0.084 58.102 58.200 -0.022 0.000 0.906 123 S CB -0.131 63.051 63.200 -0.029 0.000 0.789 123 S HN 0.498 nan 8.310 nan 0.000 0.513 124 V N 0.128 120.036 119.914 -0.011 0.000 2.971 124 V HA 0.798 4.919 4.120 0.002 0.000 0.309 124 V C -1.804 174.308 176.094 0.031 0.000 1.130 124 V CA -0.784 61.522 62.300 0.010 0.000 0.964 124 V CB 2.244 34.074 31.823 0.012 0.000 1.029 124 V HN 0.075 nan 8.190 nan 0.000 0.427 125 V N 4.593 124.535 119.914 0.046 0.000 2.443 125 V HA 0.563 4.684 4.120 0.002 0.000 0.293 125 V C 0.096 176.246 176.094 0.092 0.000 1.021 125 V CA -0.198 62.145 62.300 0.072 0.000 0.848 125 V CB 1.572 33.432 31.823 0.062 0.000 0.998 125 V HN 1.011 nan 8.190 nan 0.000 0.424 126 S N 5.986 121.762 115.700 0.126 0.000 2.429 126 S HA 0.719 5.191 4.470 0.002 0.000 0.302 126 S C -0.577 174.133 174.600 0.184 0.000 1.115 126 S CA -0.422 57.860 58.200 0.137 0.000 1.095 126 S CB 0.156 63.441 63.200 0.141 0.000 0.987 126 S HN 0.552 nan 8.310 nan 0.000 0.474 127 I N 4.561 125.244 120.570 0.189 0.000 2.410 127 I HA 0.296 4.467 4.170 0.002 0.000 0.286 127 I C 0.489 176.766 176.117 0.268 0.000 1.009 127 I CA -0.461 61.022 61.300 0.305 0.000 1.111 127 I CB 2.090 40.299 38.000 0.348 0.000 1.262 127 I HN 0.710 nan 8.210 nan 0.000 0.443 128 S N 3.295 119.163 115.700 0.281 0.000 2.651 128 S HA 0.308 4.779 4.470 0.002 0.000 0.246 128 S C -0.843 173.770 174.600 0.022 0.000 1.039 128 S CA -0.657 57.609 58.200 0.110 0.000 1.013 128 S CB -0.206 62.999 63.200 0.009 0.000 0.861 128 S HN 0.555 nan 8.310 nan 0.000 0.485 129 W N 0.200 121.660 121.300 0.267 0.000 2.736 129 W HA 0.823 5.491 4.660 0.013 0.000 0.355 129 W C 0.567 177.314 176.519 0.380 0.000 1.102 129 W CA -0.042 57.404 57.345 0.168 0.000 1.164 129 W CB 1.501 30.770 29.460 -0.318 0.000 1.422 129 W HN 0.418 nan 8.180 nan 0.000 0.572 130 G N -0.587 108.586 108.800 0.620 0.000 2.320 130 G HA2 0.541 4.502 3.960 0.002 0.000 0.296 130 G HA3 0.541 4.502 3.960 0.002 0.000 0.296 130 G C -1.380 173.876 174.900 0.593 0.000 1.306 130 G CA -0.091 45.446 45.100 0.729 0.000 0.836 130 G HN 0.990 nan 8.290 nan 0.000 0.517 131 G N -0.670 108.554 108.800 0.708 0.000 2.703 131 G HA2 0.724 4.685 3.960 0.002 0.000 0.294 131 G HA3 0.724 4.685 3.960 0.002 0.000 0.294 131 G C -3.331 171.948 174.900 0.632 0.000 1.451 131 G CA -0.952 44.465 45.100 0.528 0.000 0.869 131 G HN 0.509 nan 8.290 nan 0.000 0.516 132 P HA 0.015 nan 4.420 nan 0.000 0.263 132 P C 0.988 178.574 177.300 0.476 0.000 1.175 132 P CA 0.250 63.565 63.100 0.357 0.000 0.761 132 P CB 0.654 32.458 31.700 0.174 0.000 0.794 133 E N 2.297 122.755 120.200 0.430 0.000 2.265 133 E HA -0.237 4.114 4.350 0.002 0.000 0.196 133 E C 0.624 177.405 176.600 0.302 0.000 0.996 133 E CA 1.265 57.897 56.400 0.387 0.000 0.832 133 E CB -0.563 29.346 29.700 0.348 0.000 0.756 133 E HN 0.448 nan 8.360 nan 0.000 0.491 134 D N 1.382 121.925 120.400 0.239 0.000 2.349 134 D HA -0.091 4.550 4.640 0.002 0.000 0.224 134 D C 1.426 177.810 176.300 0.139 0.000 1.029 134 D CA 0.773 54.867 54.000 0.156 0.000 0.879 134 D CB 0.146 41.023 40.800 0.127 0.000 0.906 134 D HN 0.218 nan 8.370 nan 0.000 0.528 135 S N -2.035 113.784 115.700 0.199 0.000 2.540 135 S HA 0.178 4.649 4.470 0.002 0.000 0.218 135 S C -0.069 174.574 174.600 0.071 0.000 0.977 135 S CA -0.949 57.309 58.200 0.097 0.000 0.918 135 S CB -0.506 62.717 63.200 0.040 0.000 0.806 135 S HN 0.176 nan 8.310 nan 0.000 0.496 136 W N 3.372 124.673 121.300 0.003 0.000 2.381 136 W HA 0.526 5.185 4.660 -0.002 0.000 0.329 136 W C 1.024 177.509 176.519 -0.055 0.000 1.157 136 W CA -0.500 56.828 57.345 -0.028 0.000 1.240 136 W CB 0.682 30.067 29.460 -0.124 0.000 1.199 136 W HN 0.120 nan 8.180 nan 0.000 0.579 137 T N -1.475 113.181 114.554 0.170 0.000 2.701 137 T HA 0.086 4.437 4.350 0.002 0.000 0.303 137 T C 1.039 175.783 174.700 0.073 0.000 1.030 137 T CA -0.116 62.037 62.100 0.088 0.000 1.010 137 T CB 0.752 69.655 68.868 0.057 0.000 1.007 137 T HN 0.370 nan 8.240 nan 0.000 0.532 138 S N 0.698 116.415 115.700 0.028 0.000 2.387 138 S HA 0.044 4.515 4.470 0.002 0.000 0.226 138 S C 2.517 177.119 174.600 0.004 0.000 1.026 138 S CA 0.562 58.760 58.200 -0.003 0.000 0.972 138 S CB -0.931 62.261 63.200 -0.013 0.000 0.814 138 S HN 0.890 nan 8.310 nan 0.000 0.477 139 A N 2.225 125.060 122.820 0.024 0.000 1.858 139 A HA 0.092 4.413 4.320 0.002 0.000 0.216 139 A C 2.443 180.057 177.584 0.051 0.000 1.190 139 A CA 1.790 53.844 52.037 0.029 0.000 0.617 139 A CB -1.372 17.645 19.000 0.029 0.000 0.827 139 A HN 0.533 nan 8.150 nan 0.000 0.443 140 A N -0.465 122.418 122.820 0.106 0.000 1.908 140 A HA -0.105 4.216 4.320 0.002 0.000 0.218 140 A C 1.999 179.642 177.584 0.099 0.000 1.181 140 A CA 1.839 53.995 52.037 0.199 0.000 0.627 140 A CB -0.549 18.707 19.000 0.426 0.000 0.818 140 A HN 0.393 nan 8.150 nan 0.000 0.445 141 I N -0.083 120.481 120.570 -0.010 0.000 2.286 141 I HA -0.193 3.978 4.170 0.002 0.000 0.248 141 I C 2.820 178.908 176.117 -0.049 0.000 1.115 141 I CA 0.974 62.123 61.300 -0.253 0.000 1.392 141 I CB -1.301 36.513 38.000 -0.310 0.000 1.065 141 I HN 0.357 nan 8.210 nan 0.000 0.418 142 A N 0.242 123.055 122.820 -0.011 0.000 1.872 142 A HA -0.041 4.280 4.320 0.002 0.000 0.214 142 A C 2.538 180.125 177.584 0.006 0.000 1.187 142 A CA 1.661 53.709 52.037 0.017 0.000 0.614 142 A CB -0.939 18.064 19.000 0.005 0.000 0.826 142 A HN 0.371 nan 8.150 nan 0.000 0.442 143 A N -0.763 122.053 122.820 -0.007 0.000 1.940 143 A HA -0.143 4.178 4.320 0.002 0.000 0.219 143 A C 2.217 179.735 177.584 -0.110 0.000 1.176 143 A CA 1.950 53.964 52.037 -0.039 0.000 0.631 143 A CB -0.515 18.475 19.000 -0.016 0.000 0.814 143 A HN 0.440 nan 8.150 nan 0.000 0.446 144 M N -0.295 119.248 119.600 -0.095 0.000 2.065 144 M HA -0.164 4.317 4.480 0.002 0.000 0.259 144 M C 2.015 178.091 176.300 -0.373 0.000 1.069 144 M CA 1.578 56.721 55.300 -0.261 0.000 1.110 144 M CB -1.583 31.058 32.600 0.068 0.000 1.328 144 M HN 0.579 nan 8.290 nan 0.000 0.405 145 N N -0.422 118.301 118.700 0.038 0.000 2.223 145 N HA -0.182 4.560 4.740 0.002 0.000 0.185 145 N C 1.765 177.237 175.510 -0.064 0.000 1.016 145 N CA 0.706 53.835 53.050 0.131 0.000 0.863 145 N CB 0.101 38.769 38.487 0.301 0.000 0.983 145 N HN 0.088 nan 8.380 nan 0.000 0.429 146 R N 1.488 121.933 120.500 -0.092 0.000 2.096 146 R HA -0.007 4.335 4.340 0.002 0.000 0.235 146 R C 1.847 178.044 176.300 -0.172 0.000 1.127 146 R CA 1.572 57.605 56.100 -0.113 0.000 0.968 146 R CB -0.841 29.415 30.300 -0.073 0.000 0.861 146 R HN 0.206 nan 8.270 nan 0.000 0.440 147 A N -0.700 121.950 122.820 -0.283 0.000 1.930 147 A HA -0.046 4.275 4.320 0.002 0.000 0.217 147 A C 1.893 179.281 177.584 -0.326 0.000 1.175 147 A CA 1.175 53.011 52.037 -0.336 0.000 0.627 147 A CB -0.600 18.112 19.000 -0.481 0.000 0.815 147 A HN 0.308 nan 8.150 nan 0.000 0.443 148 F N -0.316 119.541 119.950 -0.154 0.000 2.206 148 F HA -0.010 4.534 4.527 0.028 0.000 0.298 148 F C 2.041 177.641 175.800 -0.334 0.000 1.090 148 F CA 0.382 58.267 58.000 -0.192 0.000 1.323 148 F CB -0.932 37.988 39.000 -0.133 0.000 1.028 148 F HN 0.147 nan 8.300 nan 0.000 0.492 149 L N -0.094 120.951 121.223 -0.297 0.000 2.012 149 L HA -0.270 4.071 4.340 0.002 0.000 0.210 149 L C 2.127 178.824 176.870 -0.288 0.000 1.073 149 L CA 1.636 56.162 54.840 -0.524 0.000 0.748 149 L CB -0.445 41.341 42.059 -0.454 0.000 0.891 149 L HN 0.030 nan 8.230 nan 0.000 0.431 150 D N -0.229 120.061 120.400 -0.183 0.000 2.149 150 D HA -0.179 4.462 4.640 0.002 0.000 0.198 150 D C 2.133 178.346 176.300 -0.145 0.000 0.990 150 D CA 1.348 55.275 54.000 -0.122 0.000 0.839 150 D CB -0.099 40.663 40.800 -0.064 0.000 0.948 150 D HN 0.458 nan 8.370 nan 0.000 0.460 151 A N 1.303 124.041 122.820 -0.138 0.000 1.849 151 A HA -0.161 4.161 4.320 0.002 0.000 0.217 151 A C 2.385 179.927 177.584 -0.070 0.000 1.202 151 A CA 2.931 54.913 52.037 -0.092 0.000 0.629 151 A CB -1.197 17.805 19.000 0.004 0.000 0.834 151 A HN 0.241 nan 8.150 nan 0.000 0.447 152 A N -0.319 122.447 122.820 -0.091 0.000 1.915 152 A HA -0.070 4.251 4.320 0.002 0.000 0.220 152 A C 2.543 180.103 177.584 -0.041 0.000 1.198 152 A CA 3.157 55.148 52.037 -0.076 0.000 0.647 152 A CB -1.269 17.588 19.000 -0.238 0.000 0.825 152 A HN 1.362 nan 8.150 nan 0.000 0.456 153 A N -0.990 121.785 122.820 -0.075 0.000 1.930 153 A HA 0.075 4.397 4.320 0.002 0.000 0.217 153 A C 1.990 179.557 177.584 -0.028 0.000 1.175 153 A CA 1.419 53.429 52.037 -0.046 0.000 0.627 153 A CB -0.447 18.519 19.000 -0.056 0.000 0.815 153 A HN 0.495 nan 8.150 nan 0.000 0.443 154 L N -1.188 120.011 121.223 -0.040 0.000 2.591 154 L HA 0.198 4.539 4.340 0.002 0.000 0.228 154 L C 1.515 178.374 176.870 -0.020 0.000 1.133 154 L CA 0.491 55.312 54.840 -0.031 0.000 0.880 154 L CB -0.152 41.873 42.059 -0.057 0.000 1.033 154 L HN 0.587 nan 8.230 nan 0.000 0.450 155 G N 0.364 109.159 108.800 -0.009 0.000 2.137 155 G HA2 -0.226 3.735 3.960 0.002 0.000 0.237 155 G HA3 -0.226 3.735 3.960 0.002 0.000 0.237 155 G C 0.015 174.918 174.900 0.004 0.000 1.002 155 G CA -0.012 45.092 45.100 0.006 0.000 0.702 155 G HN 0.107 nan 8.290 nan 0.000 0.515 156 V N 0.854 120.766 119.914 -0.002 0.000 2.481 156 V HA 0.605 4.726 4.120 0.002 0.000 0.286 156 V C 0.764 176.875 176.094 0.028 0.000 1.042 156 V CA -0.109 62.190 62.300 -0.002 0.000 0.928 156 V CB 1.771 33.577 31.823 -0.029 0.000 0.986 156 V HN 0.276 nan 8.190 nan 0.000 0.462 157 T N 4.722 119.292 114.554 0.026 0.000 2.727 157 T HA 0.426 4.777 4.350 0.002 0.000 0.298 157 T C -0.197 174.522 174.700 0.032 0.000 0.942 157 T CA -0.202 61.921 62.100 0.038 0.000 0.997 157 T CB 0.744 69.623 68.868 0.018 0.000 0.917 157 T HN 0.416 nan 8.240 nan 0.000 0.487 158 V N 5.684 125.614 119.914 0.026 0.000 2.370 158 V HA 0.513 4.634 4.120 0.002 0.000 0.283 158 V C -0.303 175.762 176.094 -0.049 0.000 1.023 158 V CA -0.955 61.334 62.300 -0.018 0.000 0.857 158 V CB 0.851 32.628 31.823 -0.077 0.000 0.985 158 V HN 0.640 nan 8.190 nan 0.000 0.443 159 L N 3.886 125.103 121.223 -0.010 0.000 2.334 159 L HA 0.958 5.299 4.340 0.002 0.000 0.273 159 L C 0.143 177.014 176.870 0.001 0.000 1.013 159 L CA -0.448 54.400 54.840 0.012 0.000 0.816 159 L CB 1.953 44.061 42.059 0.082 0.000 1.278 159 L HN 0.793 nan 8.230 nan 0.000 0.431 160 A N 1.689 124.505 122.820 -0.006 0.000 2.402 160 A HA 0.837 5.158 4.320 0.002 0.000 0.291 160 A C -0.397 177.210 177.584 0.038 0.000 1.051 160 A CA -0.503 51.539 52.037 0.009 0.000 0.716 160 A CB 1.209 20.155 19.000 -0.091 0.000 1.223 160 A HN 0.827 nan 8.150 nan 0.000 0.425 161 A N 1.395 124.251 122.820 0.060 0.000 2.540 161 A HA 0.464 4.785 4.320 0.002 0.000 0.239 161 A C 1.167 178.800 177.584 0.082 0.000 1.061 161 A CA 0.547 52.615 52.037 0.052 0.000 0.758 161 A CB 0.075 19.090 19.000 0.025 0.000 0.991 161 A HN 2.149 nan 8.150 nan 0.000 0.502 162 A N 2.218 125.093 122.820 0.090 0.000 2.345 162 A HA 0.548 4.869 4.320 0.002 0.000 0.225 162 A C 1.185 178.851 177.584 0.137 0.000 1.243 162 A CA 0.857 52.960 52.037 0.110 0.000 0.875 162 A CB -1.002 18.059 19.000 0.102 0.000 0.929 162 A HN 2.816 nan 8.150 nan 0.000 0.502 163 G N -0.727 108.156 108.800 0.139 0.000 2.587 163 G HA2 0.042 4.003 3.960 0.002 0.000 0.686 163 G HA3 0.042 4.003 3.960 0.002 0.000 0.686 163 G C -0.771 174.236 174.900 0.178 0.000 1.236 163 G CA -0.175 45.015 45.100 0.150 0.000 0.820 163 G HN 0.071 nan 8.290 nan 0.000 0.645 164 D N -0.149 120.353 120.400 0.170 0.000 2.462 164 D HA 0.342 4.983 4.640 0.002 0.000 0.221 164 D C 1.172 177.475 176.300 0.004 0.000 1.173 164 D CA 0.517 54.642 54.000 0.208 0.000 0.831 164 D CB 0.880 41.870 40.800 0.317 0.000 1.001 164 D HN 0.277 nan 8.370 nan 0.000 0.499 165 S N 0.280 115.990 115.700 0.016 0.000 2.661 165 S HA 0.495 4.966 4.470 0.002 0.000 0.245 165 S C 0.835 175.431 174.600 -0.006 0.000 1.117 165 S CA -0.108 58.086 58.200 -0.011 0.000 1.091 165 S CB 0.767 63.997 63.200 0.049 0.000 0.887 165 S HN 0.462 nan 8.310 nan 0.000 0.491 166 G N 2.443 111.208 108.800 -0.058 0.000 2.633 166 G HA2 -0.316 3.646 3.960 0.002 0.000 0.263 166 G HA3 -0.316 3.646 3.960 0.002 0.000 0.263 166 G C 0.810 175.776 174.900 0.110 0.000 1.310 166 G CA 0.069 45.164 45.100 -0.010 0.000 0.914 166 G HN 0.921 nan 8.290 nan 0.000 0.569 167 S N -1.211 114.596 115.700 0.179 0.000 2.603 167 S HA 0.073 4.544 4.470 0.002 0.000 0.229 167 S C 1.855 176.677 174.600 0.371 0.000 0.972 167 S CA 1.950 60.343 58.200 0.322 0.000 0.935 167 S CB -0.277 63.160 63.200 0.395 0.000 0.769 167 S HN 1.781 nan 8.310 nan 0.000 0.536 168 T N -2.344 112.359 114.554 0.249 0.000 3.001 168 T HA 0.233 4.584 4.350 0.002 0.000 0.251 168 T C 0.377 175.247 174.700 0.283 0.000 1.040 168 T CA 0.329 62.569 62.100 0.234 0.000 0.985 168 T CB -0.312 68.612 68.868 0.092 0.000 1.011 168 T HN 0.279 nan 8.240 nan 0.000 0.509 169 D N 1.284 121.807 120.400 0.205 0.000 2.945 169 D HA -0.138 4.503 4.640 0.002 0.000 0.225 169 D C 1.242 177.623 176.300 0.135 0.000 1.158 169 D CA 1.582 55.690 54.000 0.181 0.000 0.805 169 D CB -1.592 39.350 40.800 0.236 0.000 1.098 169 D HN 0.901 nan 8.370 nan 0.000 0.426 170 G N 0.005 108.867 108.800 0.104 0.000 2.162 170 G HA2 -0.370 3.591 3.960 0.002 0.000 0.260 170 G HA3 -0.370 3.591 3.960 0.002 0.000 0.260 170 G C 0.125 175.054 174.900 0.048 0.000 0.976 170 G CA 0.477 45.618 45.100 0.069 0.000 0.655 170 G HN 0.621 nan 8.290 nan 0.000 0.533 171 E N 0.459 120.686 120.200 0.045 0.000 1.998 171 E HA 0.399 4.751 4.350 0.002 0.000 0.257 171 E C 0.518 177.132 176.600 0.024 0.000 1.038 171 E CA -0.588 55.775 56.400 -0.062 0.000 0.869 171 E CB 0.149 29.630 29.700 -0.365 0.000 1.135 171 E HN 0.161 nan 8.360 nan 0.000 0.430 172 Q N 2.407 122.223 119.800 0.026 0.000 2.634 172 Q HA -0.028 4.313 4.340 0.002 0.000 0.222 172 Q C -0.488 175.529 176.000 0.028 0.000 1.004 172 Q CA 0.335 56.155 55.803 0.029 0.000 0.965 172 Q CB -0.169 28.577 28.738 0.014 0.000 1.586 172 Q HN 0.483 nan 8.270 nan 0.000 0.409 173 D N -3.172 117.267 120.400 0.065 0.000 2.503 173 D HA 0.197 4.838 4.640 0.002 0.000 0.218 173 D C 1.083 177.401 176.300 0.030 0.000 1.183 173 D CA 0.317 54.350 54.000 0.055 0.000 0.827 173 D CB 0.128 40.977 40.800 0.082 0.000 1.034 173 D HN 0.209 nan 8.370 nan 0.000 0.510 174 G N 0.226 109.017 108.800 -0.015 0.000 2.225 174 G HA2 -0.245 3.716 3.960 0.002 0.000 0.254 174 G HA3 -0.245 3.716 3.960 0.002 0.000 0.254 174 G C 0.097 174.859 174.900 -0.229 0.000 0.988 174 G CA 0.535 45.571 45.100 -0.107 0.000 0.625 174 G HN 0.359 nan 8.290 nan 0.000 0.527 175 L N -0.632 120.488 121.223 -0.170 0.000 2.416 175 L HA 0.632 4.973 4.340 0.002 0.000 0.263 175 L C 0.544 176.934 176.870 -0.800 0.000 1.065 175 L CA -1.124 53.472 54.840 -0.408 0.000 0.798 175 L CB 0.344 42.247 42.059 -0.261 0.000 1.267 175 L HN 0.036 nan 8.230 nan 0.000 0.467 176 Y N -0.153 119.894 120.300 -0.422 0.000 2.308 176 Y HA 0.375 4.925 4.550 -0.001 0.000 0.329 176 Y C 0.294 175.916 175.900 -0.462 0.000 1.111 176 Y CA -0.149 57.778 58.100 -0.288 0.000 1.179 176 Y CB 0.652 39.094 38.460 -0.029 0.000 1.201 176 Y HN 0.305 nan 8.280 nan 0.000 0.483 177 H N 1.549 120.793 119.070 0.290 0.000 2.930 177 H HA 0.596 5.151 4.556 -0.001 0.000 0.371 177 H C -1.015 174.451 175.328 0.230 0.000 1.169 177 H CA -1.047 55.137 56.048 0.228 0.000 1.157 177 H CB 1.706 31.572 29.762 0.174 0.000 1.789 177 H HN 0.502 nan 8.280 nan 0.000 0.547 178 V N -0.792 119.321 119.914 0.333 0.000 2.881 178 V HA 0.452 4.574 4.120 0.002 0.000 0.316 178 V C -0.106 176.167 176.094 0.298 0.000 1.070 178 V CA -0.870 61.590 62.300 0.266 0.000 0.976 178 V CB 2.104 34.052 31.823 0.208 0.000 1.038 178 V HN 0.666 nan 8.190 nan 0.000 0.446 179 D N 0.888 121.449 120.400 0.269 0.000 2.253 179 D HA 0.514 5.155 4.640 0.002 0.000 0.249 179 D C -1.223 175.269 176.300 0.319 0.000 1.049 179 D CA -0.140 54.051 54.000 0.318 0.000 0.929 179 D CB 1.431 42.396 40.800 0.275 0.000 1.176 179 D HN 0.612 nan 8.370 nan 0.000 0.437 180 F N 2.796 122.874 119.950 0.214 0.000 2.469 180 F HA 0.443 4.985 4.527 0.026 0.000 0.332 180 F C -1.871 174.003 175.800 0.124 0.000 1.103 180 F CA -2.454 55.543 58.000 -0.005 0.000 0.979 180 F CB 2.236 40.994 39.000 -0.402 0.000 1.137 180 F HN 0.263 nan 8.300 nan 0.000 0.463 181 P HA 0.123 nan 4.420 nan 0.000 0.253 181 P C 0.698 177.592 177.300 -0.677 0.000 1.260 181 P CA 0.604 62.980 63.100 -1.206 0.000 0.800 181 P CB 0.087 31.288 31.700 -0.831 0.000 1.162 182 A N 1.162 123.836 122.820 -0.244 0.000 1.940 182 A HA -0.113 4.208 4.320 0.002 0.000 0.219 182 A C 2.282 179.771 177.584 -0.159 0.000 1.176 182 A CA 1.937 53.887 52.037 -0.145 0.000 0.631 182 A CB -1.468 17.538 19.000 0.011 0.000 0.814 182 A HN 0.241 nan 8.150 nan 0.000 0.446 183 A N -0.442 122.319 122.820 -0.098 0.000 2.070 183 A HA 0.084 4.405 4.320 0.002 0.000 0.220 183 A C 1.658 179.057 177.584 -0.308 0.000 1.159 183 A CA 1.122 53.146 52.037 -0.022 0.000 0.656 183 A CB -0.815 18.347 19.000 0.270 0.000 0.800 183 A HN 0.618 nan 8.150 nan 0.000 0.453 184 S N 0.470 115.812 115.700 -0.597 0.000 2.537 184 S HA 0.193 4.664 4.470 0.002 0.000 0.286 184 S C -0.976 173.384 174.600 -0.399 0.000 1.299 184 S CA -0.734 56.993 58.200 -0.787 0.000 1.067 184 S CB 0.760 63.579 63.200 -0.635 0.000 0.864 184 S HN 0.294 nan 8.310 nan 0.000 0.494 185 P HA -0.033 nan 4.420 nan 0.000 0.229 185 P C 0.303 177.649 177.300 0.077 0.000 1.160 185 P CA 0.919 64.027 63.100 0.014 0.000 0.777 185 P CB -0.094 31.549 31.700 -0.096 0.000 0.814 186 Y N -0.655 119.663 120.300 0.029 0.000 2.471 186 Y HA 0.130 4.678 4.550 -0.003 0.000 0.286 186 Y C 1.122 176.964 175.900 -0.098 0.000 1.188 186 Y CA 0.080 58.129 58.100 -0.085 0.000 1.286 186 Y CB 0.070 38.419 38.460 -0.186 0.000 1.072 186 Y HN -0.259 nan 8.280 nan 0.000 0.517 187 V N 0.948 120.815 119.914 -0.079 0.000 2.628 187 V HA 0.229 4.350 4.120 0.002 0.000 0.306 187 V C -0.343 175.703 176.094 -0.080 0.000 1.045 187 V CA -1.391 60.774 62.300 -0.224 0.000 0.905 187 V CB 2.477 33.976 31.823 -0.540 0.000 0.997 187 V HN -0.037 nan 8.190 nan 0.000 0.436 188 L N 4.709 125.896 121.223 -0.059 0.000 2.385 188 L HA 0.522 4.863 4.340 0.002 0.000 0.285 188 L C 0.660 177.539 176.870 0.016 0.000 1.125 188 L CA -0.270 54.562 54.840 -0.012 0.000 0.890 188 L CB 0.464 42.521 42.059 -0.003 0.000 1.251 188 L HN 0.822 nan 8.230 nan 0.000 0.445 189 A N 4.682 127.526 122.820 0.039 0.000 2.404 189 A HA 0.319 4.640 4.320 0.002 0.000 0.273 189 A C -0.268 177.383 177.584 0.111 0.000 1.144 189 A CA -0.347 51.725 52.037 0.058 0.000 0.806 189 A CB 0.003 19.045 19.000 0.070 0.000 1.080 189 A HN 0.781 nan 8.150 nan 0.000 0.509 190 C N 3.617 122.984 119.300 0.113 0.000 2.251 190 C HA 0.660 5.121 4.460 0.002 0.000 0.323 190 C C 1.294 176.347 174.990 0.105 0.000 1.241 190 C CA -0.324 58.780 59.018 0.142 0.000 1.601 190 C CB 0.011 27.807 27.740 0.094 0.000 2.251 190 C HN 1.054 nan 8.230 nan 0.000 0.488 191 G N 2.079 110.950 108.800 0.118 0.000 2.531 191 G HA2 0.734 4.695 3.960 0.002 0.000 0.281 191 G HA3 0.734 4.695 3.960 0.002 0.000 0.281 191 G C -0.202 174.778 174.900 0.134 0.000 1.382 191 G CA -0.317 44.850 45.100 0.112 0.000 1.045 191 G HN 0.989 nan 8.290 nan 0.000 0.533 192 G N -1.565 107.349 108.800 0.190 0.000 2.620 192 G HA2 0.673 4.634 3.960 0.002 0.000 0.301 192 G HA3 0.673 4.634 3.960 0.002 0.000 0.301 192 G C -0.521 174.539 174.900 0.267 0.000 1.347 192 G CA 0.290 45.525 45.100 0.224 0.000 0.971 192 G HN 1.076 nan 8.290 nan 0.000 0.488 193 T N -1.794 112.881 114.554 0.201 0.000 2.838 193 T HA 0.708 5.059 4.350 0.002 0.000 0.292 193 T C -0.547 174.247 174.700 0.156 0.000 1.113 193 T CA -0.944 61.283 62.100 0.212 0.000 1.008 193 T CB 2.145 71.118 68.868 0.174 0.000 1.259 193 T HN 0.671 nan 8.240 nan 0.000 0.520 194 R N 0.950 121.549 120.500 0.165 0.000 2.246 194 R HA 0.619 4.960 4.340 0.002 0.000 0.332 194 R C -1.234 175.120 176.300 0.090 0.000 0.974 194 R CA -0.872 55.294 56.100 0.110 0.000 0.837 194 R CB 0.522 30.907 30.300 0.142 0.000 1.145 194 R HN 0.601 nan 8.270 nan 0.000 0.467 195 L N 5.813 127.064 121.223 0.046 0.000 2.264 195 L HA 0.381 4.722 4.340 0.002 0.000 0.289 195 L C -1.289 175.620 176.870 0.065 0.000 1.044 195 L CA -0.290 54.557 54.840 0.011 0.000 0.807 195 L CB 1.706 43.676 42.059 -0.148 0.000 1.192 195 L HN 0.444 nan 8.230 nan 0.000 0.425 196 V N 5.594 125.549 119.914 0.068 0.000 2.357 196 V HA 0.910 5.031 4.120 0.002 0.000 0.284 196 V C 0.037 176.176 176.094 0.075 0.000 1.018 196 V CA -0.057 62.310 62.300 0.111 0.000 0.841 196 V CB 0.764 32.633 31.823 0.076 0.000 0.991 196 V HN 1.005 nan 8.190 nan 0.000 0.437 197 A N 3.765 126.669 122.820 0.140 0.000 2.589 197 A HA 0.896 5.217 4.320 0.002 0.000 0.296 197 A C -0.798 176.848 177.584 0.102 0.000 1.062 197 A CA -0.535 51.528 52.037 0.042 0.000 0.686 197 A CB 2.314 21.248 19.000 -0.109 0.000 1.282 197 A HN 0.661 nan 8.150 nan 0.000 0.404 198 S N -0.254 115.470 115.700 0.040 0.000 2.546 198 S HA 0.579 5.051 4.470 0.002 0.000 0.272 198 S C 0.490 175.097 174.600 0.011 0.000 1.140 198 S CA 0.814 59.036 58.200 0.037 0.000 0.920 198 S CB 1.238 64.453 63.200 0.026 0.000 1.083 198 S HN 2.715 nan 8.310 nan 0.000 0.476 199 G N 2.237 111.041 108.800 0.007 0.000 2.225 199 G HA2 -0.037 3.924 3.960 0.002 0.000 0.267 199 G HA3 -0.037 3.924 3.960 0.002 0.000 0.267 199 G C 1.318 176.213 174.900 -0.008 0.000 1.024 199 G CA 0.989 46.088 45.100 -0.002 0.000 0.784 199 G HN 2.186 nan 8.290 nan 0.000 0.507 200 G N -1.315 107.473 108.800 -0.020 0.000 2.184 200 G HA2 -0.304 3.658 3.960 0.002 0.000 0.264 200 G HA3 -0.304 3.658 3.960 0.002 0.000 0.264 200 G C 0.432 175.322 174.900 -0.017 0.000 0.975 200 G CA 1.345 46.430 45.100 -0.026 0.000 0.642 200 G HN 1.327 nan 8.290 nan 0.000 0.536 201 R N 0.192 120.685 120.500 -0.013 0.000 2.346 201 R HA 0.663 5.004 4.340 0.002 0.000 0.311 201 R C 0.227 176.514 176.300 -0.022 0.000 0.983 201 R CA -0.879 55.217 56.100 -0.007 0.000 0.880 201 R CB 0.391 30.695 30.300 0.006 0.000 1.100 201 R HN 0.210 nan 8.270 nan 0.000 0.453 202 I N 4.704 125.248 120.570 -0.042 0.000 2.352 202 I HA 0.117 4.288 4.170 0.002 0.000 0.290 202 I C 1.001 177.107 176.117 -0.018 0.000 1.036 202 I CA -0.088 61.167 61.300 -0.075 0.000 1.336 202 I CB 1.730 39.590 38.000 -0.233 0.000 1.407 202 I HN 0.856 nan 8.210 nan 0.000 0.497 203 A N 5.880 128.704 122.820 0.006 0.000 1.844 203 A HA 0.076 4.397 4.320 0.002 0.000 0.212 203 A C 0.651 178.269 177.584 0.056 0.000 1.221 203 A CA 1.018 53.075 52.037 0.034 0.000 0.607 203 A CB 0.024 19.045 19.000 0.035 0.000 0.878 203 A HN 0.726 nan 8.150 nan 0.000 0.451 204 Q N -1.562 118.271 119.800 0.056 0.000 2.359 204 Q HA 0.633 4.974 4.340 0.002 0.000 0.274 204 Q C -1.285 174.768 176.000 0.089 0.000 1.074 204 Q CA -0.206 55.647 55.803 0.083 0.000 0.810 204 Q CB 2.546 31.328 28.738 0.073 0.000 1.342 204 Q HN 0.480 nan 8.270 nan 0.000 0.427 205 E N 1.392 121.678 120.200 0.144 0.000 2.409 205 E HA 0.371 4.722 4.350 0.002 0.000 0.259 205 E C -1.398 175.296 176.600 0.157 0.000 0.932 205 E CA -0.304 56.191 56.400 0.157 0.000 0.809 205 E CB 0.961 30.773 29.700 0.188 0.000 1.341 205 E HN 0.725 nan 8.360 nan 0.000 0.405 206 T N -0.932 113.698 114.554 0.127 0.000 2.942 206 T HA 0.491 4.842 4.350 0.002 0.000 0.289 206 T C 0.220 174.996 174.700 0.126 0.000 1.044 206 T CA -0.784 61.381 62.100 0.108 0.000 1.023 206 T CB 1.388 70.313 68.868 0.094 0.000 1.123 206 T HN 0.088 nan 8.240 nan 0.000 0.512 207 V N 1.518 121.494 119.914 0.103 0.000 2.673 207 V HA 0.077 4.198 4.120 0.002 0.000 0.303 207 V C 0.107 176.318 176.094 0.194 0.000 1.046 207 V CA -0.390 61.981 62.300 0.119 0.000 1.126 207 V CB -0.124 31.734 31.823 0.058 0.000 0.934 207 V HN 0.882 nan 8.190 nan 0.000 0.487 208 W N 7.039 128.360 121.300 0.035 0.000 2.356 208 W HA 0.421 5.075 4.660 -0.009 0.000 0.311 208 W C 0.095 176.636 176.519 0.036 0.000 1.328 208 W CA -0.722 56.646 57.345 0.038 0.000 1.251 208 W CB 0.104 29.590 29.460 0.042 0.000 1.280 208 W HN 0.613 nan 8.180 nan 0.000 0.524 209 N N 5.335 123.910 118.700 -0.208 0.000 2.793 209 N HA 0.034 4.775 4.740 0.002 0.000 0.251 209 N C -1.114 174.293 175.510 -0.171 0.000 1.308 209 N CA -0.127 52.723 53.050 -0.333 0.000 0.781 209 N CB 0.577 38.976 38.487 -0.147 0.000 1.439 209 N HN 0.408 nan 8.380 nan 0.000 0.562 210 D N 1.646 121.922 120.400 -0.206 0.000 2.491 210 D HA 0.296 4.938 4.640 0.002 0.000 0.228 210 D C 1.132 177.400 176.300 -0.053 0.000 1.183 210 D CA 0.435 54.425 54.000 -0.017 0.000 0.827 210 D CB 0.069 40.956 40.800 0.145 0.000 0.989 210 D HN 0.853 nan 8.370 nan 0.000 0.494 211 G N 1.776 110.513 108.800 -0.105 0.000 2.796 211 G HA2 -0.232 3.729 3.960 0.002 0.000 0.571 211 G HA3 -0.232 3.729 3.960 0.002 0.000 0.571 211 G C -1.943 172.912 174.900 -0.075 0.000 1.370 211 G CA -0.826 44.231 45.100 -0.071 0.000 0.856 211 G HN -0.040 nan 8.290 nan 0.000 0.538 212 P HA -0.066 nan 4.420 nan 0.000 0.218 212 P C 1.087 178.373 177.300 -0.023 0.000 1.152 212 P CA 2.093 65.174 63.100 -0.031 0.000 0.857 212 P CB 0.035 31.727 31.700 -0.014 0.000 0.787 213 D N -2.431 117.963 120.400 -0.010 0.000 2.392 213 D HA 0.076 4.717 4.640 0.002 0.000 0.206 213 D C 1.962 178.279 176.300 0.027 0.000 1.046 213 D CA 0.728 54.734 54.000 0.010 0.000 0.865 213 D CB -0.257 40.553 40.800 0.016 0.000 0.969 213 D HN 0.202 nan 8.370 nan 0.000 0.509 214 G N 0.345 109.155 108.800 0.017 0.000 2.838 214 G HA2 0.352 4.313 3.960 0.002 0.000 0.210 214 G HA3 0.352 4.313 3.960 0.002 0.000 0.210 214 G C 0.888 175.855 174.900 0.111 0.000 1.153 214 G CA 0.445 45.593 45.100 0.080 0.000 0.778 214 G HN 0.476 nan 8.290 nan 0.000 0.539 215 G N -1.434 107.312 108.800 -0.090 0.000 2.712 215 G HA2 0.467 4.428 3.960 0.002 0.000 0.686 215 G HA3 0.467 4.428 3.960 0.002 0.000 0.686 215 G C -0.428 173.785 174.900 -1.145 0.000 1.321 215 G CA -0.415 44.472 45.100 -0.354 0.000 0.813 215 G HN 1.530 nan 8.290 nan 0.000 0.599 216 A N 0.045 122.066 122.820 -1.332 0.000 2.574 216 A HA 0.967 5.288 4.320 0.002 0.000 0.297 216 A C 0.188 177.337 177.584 -0.725 0.000 1.062 216 A CA 0.743 52.025 52.037 -1.259 0.000 0.686 216 A CB 1.542 20.218 19.000 -0.540 0.000 1.285 216 A HN 2.392 nan 8.150 nan 0.000 0.403 217 T N 0.673 115.080 114.554 -0.245 0.000 2.937 217 T HA 0.436 4.787 4.350 0.002 0.000 0.316 217 T C 0.920 175.656 174.700 0.059 0.000 1.079 217 T CA 0.917 63.105 62.100 0.147 0.000 1.131 217 T CB 0.074 69.074 68.868 0.220 0.000 1.000 217 T HN 1.460 nan 8.240 nan 0.000 0.549 218 G N 1.034 109.901 108.800 0.112 0.000 2.537 218 G HA2 0.620 4.581 3.960 0.002 0.000 0.273 218 G HA3 0.620 4.581 3.960 0.002 0.000 0.273 218 G C 0.090 175.043 174.900 0.088 0.000 1.189 218 G CA -0.130 45.035 45.100 0.108 0.000 0.881 218 G HN 1.183 nan 8.290 nan 0.000 0.535 219 G N -1.998 106.853 108.800 0.085 0.000 2.376 219 G HA2 0.695 4.656 3.960 0.002 0.000 0.302 219 G HA3 0.695 4.656 3.960 0.002 0.000 0.302 219 G C -0.211 174.635 174.900 -0.089 0.000 1.586 219 G CA 0.512 45.615 45.100 0.005 0.000 0.907 219 G HN 2.147 nan 8.290 nan 0.000 0.655 220 G N -1.781 106.857 108.800 -0.270 0.000 2.470 220 G HA2 0.538 4.499 3.960 0.002 0.000 0.145 220 G HA3 0.538 4.499 3.960 0.002 0.000 0.145 220 G C -1.622 173.095 174.900 -0.305 0.000 1.223 220 G CA 0.648 45.337 45.100 -0.686 0.000 1.058 220 G HN 1.827 nan 8.290 nan 0.000 0.469 221 V N 0.985 120.807 119.914 -0.153 0.000 2.612 221 V HA 0.625 4.746 4.120 0.002 0.000 0.301 221 V C 0.332 176.473 176.094 0.079 0.000 1.059 221 V CA -0.061 62.237 62.300 -0.004 0.000 0.886 221 V CB 1.366 33.194 31.823 0.008 0.000 1.007 221 V HN 1.395 nan 8.190 nan 0.000 0.426 222 S N 5.057 120.821 115.700 0.106 0.000 2.510 222 S HA 0.263 4.734 4.470 0.002 0.000 0.279 222 S C 0.934 175.605 174.600 0.119 0.000 1.284 222 S CA -0.339 57.962 58.200 0.168 0.000 1.059 222 S CB 0.377 63.745 63.200 0.281 0.000 0.901 222 S HN 0.708 nan 8.310 nan 0.000 0.491 223 R N 4.047 124.612 120.500 0.109 0.000 2.356 223 R HA 0.319 4.660 4.340 0.002 0.000 0.234 223 R C 0.872 177.175 176.300 0.004 0.000 0.929 223 R CA 0.207 56.342 56.100 0.058 0.000 1.084 223 R CB -0.162 30.179 30.300 0.068 0.000 1.105 223 R HN 0.645 nan 8.270 nan 0.000 0.515 224 I N -0.533 120.026 120.570 -0.018 0.000 3.565 224 I HA 0.118 4.289 4.170 0.002 0.000 0.287 224 I C -0.095 175.813 176.117 -0.348 0.000 1.193 224 I CA 0.238 61.404 61.300 -0.224 0.000 1.402 224 I CB 0.493 38.248 38.000 -0.409 0.000 1.284 224 I HN -0.063 nan 8.210 nan 0.000 0.454 225 F N 3.002 122.967 119.950 0.024 0.000 2.427 225 F HA 0.416 4.950 4.527 0.012 0.000 0.346 225 F C -2.282 173.482 175.800 -0.060 0.000 1.120 225 F CA -2.938 55.061 58.000 -0.002 0.000 1.033 225 F CB 0.327 39.342 39.000 0.025 0.000 1.126 225 F HN -0.215 nan 8.300 nan 0.000 0.462 226 P HA 0.093 nan 4.420 nan 0.000 0.276 226 P C -0.488 176.726 177.300 -0.144 0.000 1.244 226 P CA -0.516 62.557 63.100 -0.045 0.000 0.801 226 P CB 1.024 32.688 31.700 -0.059 0.000 1.006 227 L N 3.898 124.998 121.223 -0.204 0.000 2.667 227 L HA 0.084 4.425 4.340 0.002 0.000 0.278 227 L C -1.955 174.632 176.870 -0.471 0.000 1.217 227 L CA -0.621 54.013 54.840 -0.345 0.000 0.935 227 L CB -0.970 40.907 42.059 -0.303 0.000 1.193 227 L HN 0.314 nan 8.230 nan 0.000 0.493 228 P HA 0.118 nan 4.420 nan 0.000 0.274 228 P C 0.040 176.802 177.300 -0.897 0.000 1.237 228 P CA -0.099 62.372 63.100 -1.047 0.000 0.793 228 P CB 0.864 31.252 31.700 -2.187 0.000 0.977 229 A N 2.427 124.848 122.820 -0.665 0.000 1.940 229 A HA -0.161 4.160 4.320 0.002 0.000 0.219 229 A C 1.905 179.292 177.584 -0.328 0.000 1.176 229 A CA 1.494 53.308 52.037 -0.371 0.000 0.631 229 A CB -1.573 17.338 19.000 -0.148 0.000 0.814 229 A HN 0.783 nan 8.150 nan 0.000 0.446 230 W N -1.008 120.158 121.300 -0.224 0.000 2.525 230 W HA -0.004 4.655 4.660 -0.001 0.000 0.259 230 W C 1.356 177.623 176.519 -0.420 0.000 1.253 230 W CA 0.819 58.016 57.345 -0.246 0.000 1.262 230 W CB -0.845 28.447 29.460 -0.280 0.000 1.122 230 W HN 0.436 nan 8.180 nan 0.000 0.607 231 Q N 0.750 120.189 119.800 -0.602 0.000 2.320 231 Q HA -0.009 4.332 4.340 0.002 0.000 0.201 231 Q C 1.715 177.434 176.000 -0.469 0.000 0.910 231 Q CA 0.058 55.482 55.803 -0.632 0.000 0.946 231 Q CB 0.112 28.334 28.738 -0.859 0.000 1.062 231 Q HN 0.322 nan 8.270 nan 0.000 0.503 232 E N -0.230 119.684 120.200 -0.477 0.000 2.209 232 E HA -0.185 4.166 4.350 0.002 0.000 0.196 232 E C 0.754 176.975 176.600 -0.630 0.000 0.993 232 E CA 0.789 56.836 56.400 -0.588 0.000 0.819 232 E CB 0.124 29.392 29.700 -0.720 0.000 0.745 232 E HN 0.517 nan 8.360 nan 0.000 0.477 233 H N -1.318 117.711 119.070 -0.068 0.000 2.549 233 H HA 0.314 4.870 4.556 0.001 0.000 0.279 233 H C 1.234 176.567 175.328 0.010 0.000 1.018 233 H CA 0.488 56.527 56.048 -0.015 0.000 1.175 233 H CB 0.600 30.373 29.762 0.019 0.000 1.485 233 H HN 0.108 nan 8.280 nan 0.000 0.543 234 A N 0.682 123.506 122.820 0.006 0.000 2.195 234 A HA -0.015 4.306 4.320 0.002 0.000 0.210 234 A C 0.876 178.495 177.584 0.058 0.000 1.165 234 A CA -0.118 51.936 52.037 0.029 0.000 0.806 234 A CB 0.089 18.949 19.000 -0.233 0.000 0.847 234 A HN 0.375 nan 8.150 nan 0.000 0.482 235 N N -0.261 118.431 118.700 -0.014 0.000 2.756 235 N HA -0.124 4.617 4.740 0.002 0.000 0.248 235 N C -0.447 175.096 175.510 0.056 0.000 1.062 235 N CA 0.807 53.876 53.050 0.032 0.000 0.696 235 N CB -1.352 37.194 38.487 0.099 0.000 0.946 235 N HN 0.212 nan 8.380 nan 0.000 0.548 236 V N 1.692 121.533 119.914 -0.122 0.000 2.637 236 V HA 0.249 4.370 4.120 0.002 0.000 0.296 236 V C -0.880 175.215 176.094 0.001 0.000 1.046 236 V CA -0.652 61.581 62.300 -0.110 0.000 1.066 236 V CB 0.925 32.495 31.823 -0.421 0.000 0.968 236 V HN 0.205 nan 8.190 nan 0.000 0.483 237 P HA 0.435 nan 4.420 nan 0.000 0.278 237 P C -2.724 174.619 177.300 0.071 0.000 1.258 237 P CA -1.812 61.346 63.100 0.097 0.000 0.811 237 P CB 0.509 32.312 31.700 0.171 0.000 1.063 238 P HA 0.023 nan 4.420 nan 0.000 0.273 238 P C 0.217 177.584 177.300 0.111 0.000 1.250 238 P CA -0.114 63.018 63.100 0.053 0.000 0.793 238 P CB 0.273 31.995 31.700 0.037 0.000 1.011 239 S N -0.176 115.588 115.700 0.107 0.000 2.573 239 S HA 0.182 4.653 4.470 0.002 0.000 0.277 239 S C 1.531 176.220 174.600 0.147 0.000 1.346 239 S CA 0.129 58.435 58.200 0.176 0.000 1.034 239 S CB -0.156 63.132 63.200 0.146 0.000 0.879 239 S HN 0.492 nan 8.310 nan 0.000 0.528 240 A N 4.428 127.341 122.820 0.156 0.000 2.066 240 A HA 0.084 4.405 4.320 0.002 0.000 0.218 240 A C 1.009 178.636 177.584 0.071 0.000 1.157 240 A CA 0.342 52.352 52.037 -0.045 0.000 0.670 240 A CB -0.627 18.064 19.000 -0.515 0.000 0.804 240 A HN 0.829 nan 8.150 nan 0.000 0.453 241 N N 0.992 119.785 118.700 0.153 0.000 2.374 241 N HA 0.187 4.928 4.740 0.002 0.000 0.241 241 N C -2.699 172.856 175.510 0.075 0.000 1.262 241 N CA -1.043 52.085 53.050 0.129 0.000 0.880 241 N CB -0.277 38.271 38.487 0.102 0.000 1.105 241 N HN 0.083 nan 8.380 nan 0.000 0.438 242 P HA 0.066 nan 4.420 nan 0.000 0.264 242 P C 0.853 178.174 177.300 0.035 0.000 1.183 242 P CA 0.671 63.794 63.100 0.037 0.000 0.763 242 P CB 0.370 32.087 31.700 0.029 0.000 0.807 243 G N 2.560 111.376 108.800 0.027 0.000 2.307 243 G HA2 -0.083 3.878 3.960 0.002 0.000 0.210 243 G HA3 -0.083 3.878 3.960 0.002 0.000 0.210 243 G C 0.516 175.429 174.900 0.022 0.000 1.005 243 G CA 0.265 45.379 45.100 0.023 0.000 0.634 243 G HN 0.908 nan 8.290 nan 0.000 0.496 244 A N -0.475 122.364 122.820 0.030 0.000 2.511 244 A HA 0.173 4.494 4.320 0.002 0.000 0.297 244 A C 1.202 178.801 177.584 0.024 0.000 1.476 244 A CA 2.042 54.097 52.037 0.031 0.000 0.757 244 A CB -1.974 17.039 19.000 0.021 0.000 1.072 244 A HN 2.441 nan 8.150 nan 0.000 0.413 245 S N -0.333 115.383 115.700 0.027 0.000 2.645 245 S HA 0.654 5.125 4.470 0.002 0.000 0.266 245 S C 0.487 175.090 174.600 0.006 0.000 1.258 245 S CA 0.103 58.309 58.200 0.011 0.000 0.990 245 S CB 1.429 64.634 63.200 0.008 0.000 0.967 245 S HN 1.360 nan 8.310 nan 0.000 0.556 246 S N 0.078 115.768 115.700 -0.018 0.000 2.548 246 S HA 0.646 5.117 4.470 0.002 0.000 0.277 246 S C 0.247 174.820 174.600 -0.046 0.000 1.315 246 S CA 0.164 58.338 58.200 -0.043 0.000 1.050 246 S CB -0.278 62.883 63.200 -0.066 0.000 0.918 246 S HN 1.166 nan 8.310 nan 0.000 0.497 247 G N 3.037 111.797 108.800 -0.066 0.000 2.550 247 G HA2 0.366 4.327 3.960 0.002 0.000 0.293 247 G HA3 0.366 4.327 3.960 0.002 0.000 0.293 247 G C -1.403 173.432 174.900 -0.108 0.000 1.402 247 G CA -0.901 44.165 45.100 -0.055 0.000 0.784 247 G HN 0.619 nan 8.290 nan 0.000 0.482 248 R N 0.469 120.927 120.500 -0.071 0.000 2.421 248 R HA 0.306 4.647 4.340 0.002 0.000 0.305 248 R C 0.599 176.849 176.300 -0.083 0.000 1.039 248 R CA 0.221 56.235 56.100 -0.142 0.000 1.003 248 R CB 0.092 30.346 30.300 -0.077 0.000 0.959 248 R HN 0.729 nan 8.270 nan 0.000 0.427 249 G N 3.225 111.915 108.800 -0.183 0.000 2.364 249 G HA2 0.354 4.315 3.960 0.002 0.000 0.267 249 G HA3 0.354 4.315 3.960 0.002 0.000 0.267 249 G C -0.646 174.450 174.900 0.327 0.000 1.233 249 G CA -0.477 44.627 45.100 0.006 0.000 0.885 249 G HN 0.431 nan 8.290 nan 0.000 0.490 250 V N 5.969 126.100 119.914 0.363 0.000 2.555 250 V HA 0.495 4.616 4.120 0.002 0.000 0.302 250 V C -1.755 174.454 176.094 0.191 0.000 1.038 250 V CA -1.384 61.075 62.300 0.265 0.000 0.887 250 V CB 2.286 34.191 31.823 0.136 0.000 0.991 250 V HN 0.702 nan 8.190 nan 0.000 0.434 251 P HA 0.409 nan 4.420 nan 0.000 0.310 251 P C -0.361 177.144 177.300 0.342 0.000 1.309 251 P CA -0.292 62.919 63.100 0.184 0.000 0.769 251 P CB 1.773 33.527 31.700 0.091 0.000 1.327 252 D N -1.128 119.434 120.400 0.270 0.000 2.259 252 D HA 0.184 4.825 4.640 0.002 0.000 0.216 252 D C 0.593 176.918 176.300 0.043 0.000 0.961 252 D CA 1.152 55.318 54.000 0.278 0.000 0.878 252 D CB 0.282 41.206 40.800 0.207 0.000 1.009 252 D HN 0.224 nan 8.370 nan 0.000 0.490 253 L N -0.222 121.031 121.223 0.050 0.000 2.393 253 L HA 0.660 5.001 4.340 0.002 0.000 0.260 253 L C -0.922 176.040 176.870 0.153 0.000 1.002 253 L CA -0.883 53.971 54.840 0.023 0.000 0.818 253 L CB 2.496 44.553 42.059 -0.002 0.000 1.369 253 L HN -0.146 nan 8.230 nan 0.000 0.412 254 A N 0.507 123.424 122.820 0.161 0.000 2.485 254 A HA 1.023 5.344 4.320 0.002 0.000 0.292 254 A C -0.632 177.139 177.584 0.311 0.000 1.147 254 A CA -0.174 51.986 52.037 0.204 0.000 0.750 254 A CB 2.069 21.126 19.000 0.095 0.000 1.331 254 A HN 0.808 nan 8.150 nan 0.000 0.419 255 G N -0.335 108.614 108.800 0.249 0.000 2.601 255 G HA2 0.434 4.395 3.960 0.002 0.000 0.291 255 G HA3 0.434 4.395 3.960 0.002 0.000 0.291 255 G C -1.048 173.984 174.900 0.220 0.000 1.456 255 G CA -0.703 44.603 45.100 0.342 0.000 0.804 255 G HN 1.028 nan 8.290 nan 0.000 0.499 256 N N -0.260 118.596 118.700 0.260 0.000 2.223 256 N HA 0.275 5.017 4.740 0.002 0.000 0.271 256 N C 0.846 176.380 175.510 0.041 0.000 1.315 256 N CA 1.384 54.473 53.050 0.065 0.000 0.835 256 N CB 0.790 39.199 38.487 -0.130 0.000 1.066 256 N HN 1.034 nan 8.380 nan 0.000 0.486 257 A N 2.836 125.563 122.820 -0.156 0.000 2.710 257 A HA 0.082 4.404 4.320 0.002 0.000 0.212 257 A C 0.067 177.073 177.584 -0.963 0.000 1.358 257 A CA -0.376 51.418 52.037 -0.405 0.000 1.048 257 A CB -0.061 18.688 19.000 -0.419 0.000 1.345 257 A HN 0.659 nan 8.150 nan 0.000 0.583 258 D N 1.417 121.328 120.400 -0.814 0.000 2.434 258 D HA 0.153 4.794 4.640 0.002 0.000 0.252 258 D C -1.579 174.473 176.300 -0.413 0.000 1.185 258 D CA -1.171 52.325 54.000 -0.840 0.000 0.886 258 D CB 1.338 42.022 40.800 -0.194 0.000 1.148 258 D HN 0.043 nan 8.370 nan 0.000 0.483 259 P HA -0.136 nan 4.420 nan 0.000 0.216 259 P C 1.018 178.283 177.300 -0.058 0.000 1.150 259 P CA 1.542 64.573 63.100 -0.116 0.000 0.837 259 P CB 0.129 31.820 31.700 -0.015 0.000 0.786 260 A N -0.535 122.279 122.820 -0.010 0.000 1.997 260 A HA -0.178 4.143 4.320 0.002 0.000 0.221 260 A C 1.647 179.206 177.584 -0.042 0.000 1.172 260 A CA 2.392 54.428 52.037 -0.002 0.000 0.645 260 A CB -1.691 17.334 19.000 0.041 0.000 0.813 260 A HN 0.370 nan 8.150 nan 0.000 0.454 261 T N -3.333 111.188 114.554 -0.055 0.000 3.483 261 T HA 0.539 4.890 4.350 0.002 0.000 0.258 261 T C 0.489 175.141 174.700 -0.081 0.000 1.013 261 T CA 0.187 62.258 62.100 -0.047 0.000 1.078 261 T CB 0.101 69.011 68.868 0.070 0.000 1.111 261 T HN 0.497 nan 8.240 nan 0.000 0.538 262 G N 0.539 109.261 108.800 -0.130 0.000 2.588 262 G HA2 0.505 4.466 3.960 0.002 0.000 0.278 262 G HA3 0.505 4.466 3.960 0.002 0.000 0.278 262 G C -1.073 173.701 174.900 -0.210 0.000 1.307 262 G CA -0.851 44.155 45.100 -0.157 0.000 1.016 262 G HN 0.491 nan 8.290 nan 0.000 0.503 263 Y N 0.166 120.441 120.300 -0.041 0.000 2.327 263 Y HA 0.263 4.822 4.550 0.015 0.000 0.336 263 Y C 0.661 176.551 175.900 -0.017 0.000 1.035 263 Y CA -0.411 57.678 58.100 -0.019 0.000 1.165 263 Y CB 1.090 39.518 38.460 -0.053 0.000 1.181 263 Y HN 0.434 nan 8.280 nan 0.000 0.494 264 E N 3.780 124.057 120.200 0.129 0.000 2.104 264 E HA 0.331 4.682 4.350 0.002 0.000 0.278 264 E C -0.442 176.258 176.600 0.165 0.000 1.127 264 E CA -0.408 56.052 56.400 0.099 0.000 0.897 264 E CB 0.270 30.009 29.700 0.065 0.000 1.043 264 E HN 0.443 nan 8.360 nan 0.000 0.410 265 V N -0.273 119.685 119.914 0.073 0.000 3.164 265 V HA 0.664 4.785 4.120 0.002 0.000 0.313 265 V C -0.308 175.750 176.094 -0.061 0.000 1.188 265 V CA -1.082 61.189 62.300 -0.047 0.000 1.058 265 V CB 1.973 33.689 31.823 -0.177 0.000 1.110 265 V HN 0.276 nan 8.190 nan 0.000 0.453 266 V N 2.350 122.120 119.914 -0.241 0.000 2.447 266 V HA 0.548 4.669 4.120 0.002 0.000 0.292 266 V C -0.947 175.033 176.094 -0.191 0.000 1.021 266 V CA -0.201 62.014 62.300 -0.141 0.000 0.850 266 V CB 1.161 32.962 31.823 -0.036 0.000 1.005 266 V HN 0.679 nan 8.190 nan 0.000 0.426 267 I N 3.325 123.831 120.570 -0.107 0.000 2.410 267 I HA 0.467 4.638 4.170 0.002 0.000 0.286 267 I C 0.114 176.208 176.117 -0.038 0.000 1.009 267 I CA -0.462 60.790 61.300 -0.079 0.000 1.111 267 I CB 1.358 39.321 38.000 -0.063 0.000 1.262 267 I HN 0.639 nan 8.210 nan 0.000 0.443 268 D N 5.620 126.006 120.400 -0.024 0.000 2.686 268 D HA -0.186 4.455 4.640 0.002 0.000 0.235 268 D C 1.351 177.644 176.300 -0.012 0.000 1.160 268 D CA 1.630 55.624 54.000 -0.009 0.000 0.645 268 D CB -0.911 39.889 40.800 -0.000 0.000 1.039 268 D HN 1.133 nan 8.370 nan 0.000 0.423 269 G N -0.502 108.288 108.800 -0.017 0.000 2.267 269 G HA2 -0.338 3.623 3.960 0.002 0.000 0.257 269 G HA3 -0.338 3.623 3.960 0.002 0.000 0.257 269 G C 0.100 174.995 174.900 -0.009 0.000 0.998 269 G CA 0.607 45.702 45.100 -0.010 0.000 0.620 269 G HN 0.703 nan 8.290 nan 0.000 0.529 270 E N 0.390 120.582 120.200 -0.014 0.000 2.204 270 E HA 0.728 5.079 4.350 0.002 0.000 0.276 270 E C 0.104 176.696 176.600 -0.013 0.000 0.974 270 E CA -0.489 55.905 56.400 -0.011 0.000 0.815 270 E CB 1.882 31.576 29.700 -0.010 0.000 1.119 270 E HN 0.875 nan 8.360 nan 0.000 0.393 271 A N 2.607 125.424 122.820 -0.004 0.000 2.404 271 A HA 0.415 4.737 4.320 0.002 0.000 0.273 271 A C -0.035 177.547 177.584 -0.005 0.000 1.144 271 A CA 0.105 52.144 52.037 0.003 0.000 0.806 271 A CB 0.656 19.661 19.000 0.008 0.000 1.080 271 A HN 0.619 nan 8.150 nan 0.000 0.509 272 T N 1.020 115.570 114.554 -0.006 0.000 2.769 272 T HA 0.473 4.824 4.350 0.002 0.000 0.306 272 T C -1.609 173.087 174.700 -0.006 0.000 1.400 272 T CA -0.330 61.764 62.100 -0.010 0.000 1.007 272 T CB 1.189 70.047 68.868 -0.016 0.000 1.392 272 T HN 0.686 nan 8.240 nan 0.000 0.500 273 V N 3.504 123.413 119.914 -0.009 0.000 2.334 273 V HA 0.645 4.766 4.120 0.002 0.000 0.281 273 V C -0.448 175.642 176.094 -0.007 0.000 1.016 273 V CA -0.481 61.816 62.300 -0.006 0.000 0.832 273 V CB 0.815 32.622 31.823 -0.027 0.000 0.999 273 V HN 0.729 nan 8.190 nan 0.000 0.439 274 I N 3.200 123.777 120.570 0.012 0.000 2.785 274 I HA 0.886 5.057 4.170 0.002 0.000 0.302 274 I C 0.675 176.806 176.117 0.024 0.000 1.069 274 I CA 0.122 61.417 61.300 -0.008 0.000 1.045 274 I CB 2.413 40.389 38.000 -0.039 0.000 1.236 274 I HN 0.702 nan 8.210 nan 0.000 0.429 275 G N 1.486 110.250 108.800 -0.061 0.000 3.183 275 G HA2 0.825 4.786 3.960 0.002 0.000 0.247 275 G HA3 0.825 4.786 3.960 0.002 0.000 0.247 275 G C -0.617 174.124 174.900 -0.266 0.000 1.211 275 G CA -0.545 44.489 45.100 -0.110 0.000 0.835 275 G HN 1.151 nan 8.290 nan 0.000 0.604 276 G N -2.466 106.036 108.800 -0.496 0.000 2.459 276 G HA2 0.372 4.333 3.960 0.002 0.000 0.685 276 G HA3 0.372 4.333 3.960 0.002 0.000 0.685 276 G C 0.650 175.389 174.900 -0.269 0.000 1.303 276 G CA 0.667 45.503 45.100 -0.439 0.000 0.907 276 G HN 1.720 nan 8.290 nan 0.000 0.632 277 T N -1.904 112.609 114.554 -0.069 0.000 3.113 277 T HA 0.112 4.463 4.350 0.002 0.000 0.263 277 T C 2.422 177.045 174.700 -0.128 0.000 1.143 277 T CA 1.902 63.972 62.100 -0.050 0.000 1.090 277 T CB -0.165 68.749 68.868 0.076 0.000 0.922 277 T HN 1.882 nan 8.240 nan 0.000 0.521 278 S N 0.709 116.289 115.700 -0.200 0.000 2.561 278 S HA 0.362 4.833 4.470 0.002 0.000 0.225 278 S C 2.100 176.553 174.600 -0.246 0.000 0.977 278 S CA 0.169 58.221 58.200 -0.245 0.000 0.926 278 S CB -0.374 62.548 63.200 -0.463 0.000 0.769 278 S HN 0.644 nan 8.310 nan 0.000 0.533 279 A N 0.921 123.561 122.820 -0.300 0.000 2.081 279 A HA 0.364 4.686 4.320 0.002 0.000 0.214 279 A C 2.135 179.487 177.584 -0.387 0.000 1.158 279 A CA 0.683 52.469 52.037 -0.419 0.000 0.724 279 A CB -0.473 18.105 19.000 -0.702 0.000 0.826 279 A HN 0.414 nan 8.150 nan 0.000 0.463 280 V N -0.239 119.481 119.914 -0.325 0.000 2.346 280 V HA -0.138 3.983 4.120 0.002 0.000 0.244 280 V C 3.040 178.838 176.094 -0.493 0.000 1.037 280 V CA 1.677 63.690 62.300 -0.479 0.000 1.029 280 V CB -0.974 30.602 31.823 -0.413 0.000 0.663 280 V HN 0.557 nan 8.190 nan 0.000 0.454 281 A N 1.310 123.993 122.820 -0.228 0.000 1.873 281 A HA -0.144 4.177 4.320 0.002 0.000 0.218 281 A C 0.625 178.200 177.584 -0.015 0.000 1.193 281 A CA 2.293 54.291 52.037 -0.064 0.000 0.629 281 A CB -2.041 16.962 19.000 0.005 0.000 0.826 281 A HN 0.568 nan 8.150 nan 0.000 0.447 282 P HA -0.126 nan 4.420 nan 0.000 0.220 282 P C 1.636 178.980 177.300 0.074 0.000 1.148 282 P CA 1.100 64.224 63.100 0.040 0.000 0.803 282 P CB -0.169 31.526 31.700 -0.010 0.000 0.782 283 L N -1.478 119.730 121.223 -0.024 0.000 2.056 283 L HA -0.030 4.311 4.340 0.002 0.000 0.207 283 L C 2.162 179.278 176.870 0.410 0.000 1.078 283 L CA 1.953 56.861 54.840 0.113 0.000 0.749 283 L CB -1.159 40.864 42.059 -0.059 0.000 0.901 283 L HN -0.247 nan 8.230 nan 0.000 0.433 284 F N 0.178 120.233 119.950 0.175 0.000 2.456 284 F HA 0.177 4.727 4.527 0.038 0.000 0.298 284 F C 2.539 178.370 175.800 0.053 0.000 1.104 284 F CA 0.248 58.307 58.000 0.098 0.000 1.435 284 F CB -1.624 37.411 39.000 0.059 0.000 1.078 284 F HN 0.224 nan 8.300 nan 0.000 0.546 285 A N 0.264 123.241 122.820 0.262 0.000 1.902 285 A HA -0.049 4.272 4.320 0.002 0.000 0.217 285 A C 2.512 180.195 177.584 0.165 0.000 1.181 285 A CA 1.788 53.929 52.037 0.174 0.000 0.623 285 A CB -1.088 18.008 19.000 0.161 0.000 0.818 285 A HN 0.255 nan 8.150 nan 0.000 0.443 286 A N -0.522 122.442 122.820 0.240 0.000 1.898 286 A HA -0.010 4.311 4.320 0.002 0.000 0.216 286 A C 2.111 179.793 177.584 0.163 0.000 1.181 286 A CA 1.681 53.867 52.037 0.248 0.000 0.620 286 A CB -0.622 18.590 19.000 0.353 0.000 0.819 286 A HN 0.666 nan 8.150 nan 0.000 0.442 287 L N 0.246 121.519 121.223 0.082 0.000 2.012 287 L HA -0.151 4.190 4.340 0.002 0.000 0.210 287 L C 2.414 179.196 176.870 -0.148 0.000 1.073 287 L CA 2.166 56.853 54.840 -0.256 0.000 0.748 287 L CB -0.702 40.986 42.059 -0.620 0.000 0.891 287 L HN 0.182 nan 8.230 nan 0.000 0.431 288 V N 0.223 120.090 119.914 -0.077 0.000 2.255 288 V HA -0.348 3.773 4.120 0.002 0.000 0.247 288 V C 2.826 178.893 176.094 -0.045 0.000 1.051 288 V CA 1.889 64.151 62.300 -0.062 0.000 1.018 288 V CB -1.699 30.110 31.823 -0.024 0.000 0.641 288 V HN 0.629 nan 8.190 nan 0.000 0.445 289 A N -0.197 122.612 122.820 -0.018 0.000 1.908 289 A HA -0.266 4.055 4.320 0.002 0.000 0.218 289 A C 2.393 179.965 177.584 -0.021 0.000 1.181 289 A CA 2.119 54.141 52.037 -0.025 0.000 0.627 289 A CB -0.578 18.405 19.000 -0.029 0.000 0.818 289 A HN 0.512 nan 8.150 nan 0.000 0.445 290 R N -0.910 119.586 120.500 -0.007 0.000 2.096 290 R HA -0.053 4.288 4.340 0.002 0.000 0.235 290 R C 1.953 178.233 176.300 -0.032 0.000 1.127 290 R CA 1.566 57.663 56.100 -0.005 0.000 0.968 290 R CB -0.417 29.893 30.300 0.017 0.000 0.861 290 R HN 0.605 nan 8.270 nan 0.000 0.440 291 I N 0.904 121.438 120.570 -0.059 0.000 2.286 291 I HA -0.228 3.943 4.170 0.002 0.000 0.245 291 I C 1.626 177.712 176.117 -0.052 0.000 1.104 291 I CA 0.885 62.143 61.300 -0.069 0.000 1.397 291 I CB -0.236 37.705 38.000 -0.099 0.000 1.072 291 I HN 0.113 nan 8.210 nan 0.000 0.417 292 N N 0.647 119.319 118.700 -0.046 0.000 2.149 292 N HA -0.257 4.485 4.740 0.002 0.000 0.188 292 N C 1.734 177.225 175.510 -0.032 0.000 1.019 292 N CA 1.173 54.200 53.050 -0.038 0.000 0.857 292 N CB -0.379 38.086 38.487 -0.036 0.000 0.997 292 N HN 0.498 nan 8.380 nan 0.000 0.426 293 Q N 0.919 120.701 119.800 -0.029 0.000 1.993 293 Q HA -0.180 4.161 4.340 0.002 0.000 0.202 293 Q C 1.823 177.810 176.000 -0.021 0.000 0.984 293 Q CA 1.510 57.300 55.803 -0.023 0.000 0.837 293 Q CB -0.027 28.700 28.738 -0.017 0.000 0.902 293 Q HN -0.073 nan 8.270 nan 0.000 0.423 294 K N 0.666 121.052 120.400 -0.023 0.000 2.034 294 K HA -0.163 4.158 4.320 0.002 0.000 0.214 294 K C 1.923 178.508 176.600 -0.025 0.000 1.051 294 K CA 1.845 58.118 56.287 -0.023 0.000 0.931 294 K CB -0.599 31.883 32.500 -0.030 0.000 0.715 294 K HN 0.388 nan 8.250 nan 0.000 0.446 295 L N -1.778 119.427 121.223 -0.030 0.000 2.418 295 L HA 0.156 4.497 4.340 0.002 0.000 0.218 295 L C 1.489 178.346 176.870 -0.023 0.000 1.125 295 L CA 0.555 55.378 54.840 -0.028 0.000 0.835 295 L CB -0.188 41.851 42.059 -0.034 0.000 0.953 295 L HN 0.528 nan 8.230 nan 0.000 0.454 296 G N 0.438 109.225 108.800 -0.021 0.000 2.176 296 G HA2 -0.264 3.697 3.960 0.002 0.000 0.253 296 G HA3 -0.264 3.697 3.960 0.002 0.000 0.253 296 G C 0.228 175.117 174.900 -0.017 0.000 0.979 296 G CA 0.481 45.571 45.100 -0.017 0.000 0.641 296 G HN 0.341 nan 8.290 nan 0.000 0.530 297 K N 0.017 120.406 120.400 -0.020 0.000 2.501 297 K HA 0.787 5.108 4.320 0.002 0.000 0.252 297 K C -0.147 176.440 176.600 -0.022 0.000 0.934 297 K CA -0.133 56.143 56.287 -0.018 0.000 0.797 297 K CB 1.521 34.011 32.500 -0.016 0.000 1.270 297 K HN 1.151 nan 8.250 nan 0.000 0.431 298 A N 2.889 125.698 122.820 -0.019 0.000 2.524 298 A HA 0.236 4.558 4.320 0.002 0.000 0.250 298 A C 1.272 178.845 177.584 -0.018 0.000 1.078 298 A CA 0.101 52.126 52.037 -0.019 0.000 0.761 298 A CB -0.123 18.867 19.000 -0.015 0.000 1.012 298 A HN 0.849 nan 8.150 nan 0.000 0.500 299 V N 2.059 121.959 119.914 -0.024 0.000 3.217 299 V HA 0.346 4.468 4.120 0.002 0.000 0.264 299 V C 1.596 177.685 176.094 -0.010 0.000 1.135 299 V CA 0.728 63.011 62.300 -0.028 0.000 1.142 299 V CB -2.264 29.529 31.823 -0.050 0.000 0.754 299 V HN 2.180 nan 8.190 nan 0.000 0.484 300 G N 0.162 108.966 108.800 0.007 0.000 2.594 300 G HA2 -0.403 3.558 3.960 0.002 0.000 0.297 300 G HA3 -0.403 3.558 3.960 0.002 0.000 0.297 300 G C -0.154 174.794 174.900 0.081 0.000 1.273 300 G CA 0.717 45.844 45.100 0.045 0.000 0.974 300 G HN 0.843 nan 8.290 nan 0.000 0.552 301 Y N 1.589 121.865 120.300 -0.039 0.000 2.713 301 Y HA 0.362 4.908 4.550 -0.007 0.000 0.341 301 Y C 1.619 177.452 175.900 -0.112 0.000 1.167 301 Y CA 0.429 58.493 58.100 -0.061 0.000 1.503 301 Y CB 0.075 38.526 38.460 -0.015 0.000 1.199 301 Y HN 0.421 nan 8.280 nan 0.000 0.525 302 L N 4.144 125.117 121.223 -0.417 0.000 2.470 302 L HA -0.046 4.295 4.340 0.002 0.000 0.219 302 L C 1.665 178.159 176.870 -0.626 0.000 1.071 302 L CA 0.117 54.710 54.840 -0.412 0.000 0.850 302 L CB -0.082 41.833 42.059 -0.239 0.000 1.040 302 L HN 0.510 nan 8.230 nan 0.000 0.475 303 N N 0.767 118.846 118.700 -1.035 0.000 2.049 303 N HA -0.196 4.545 4.740 0.002 0.000 0.198 303 N C -1.000 173.892 175.510 -1.030 0.000 1.030 303 N CA 1.867 54.264 53.050 -1.088 0.000 0.870 303 N CB -1.465 35.992 38.487 -1.716 0.000 1.045 303 N HN 0.196 nan 8.380 nan 0.000 0.434 304 P HA -0.027 nan 4.420 nan 0.000 0.215 304 P C 1.264 178.415 177.300 -0.248 0.000 1.157 304 P CA 1.565 64.253 63.100 -0.686 0.000 0.863 304 P CB -0.131 31.271 31.700 -0.496 0.000 0.787 305 T N 0.317 114.716 114.554 -0.258 0.000 2.635 305 T HA -0.159 4.192 4.350 0.002 0.000 0.267 305 T C 1.781 176.447 174.700 -0.056 0.000 1.040 305 T CA 1.234 63.258 62.100 -0.126 0.000 1.156 305 T CB -1.161 67.623 68.868 -0.139 0.000 0.863 305 T HN 0.047 nan 8.240 nan 0.000 0.430 306 L N -0.541 120.631 121.223 -0.085 0.000 2.081 306 L HA -0.154 4.187 4.340 0.002 0.000 0.212 306 L C 2.133 178.981 176.870 -0.037 0.000 1.080 306 L CA 1.585 56.412 54.840 -0.022 0.000 0.754 306 L CB -0.594 41.392 42.059 -0.122 0.000 0.893 306 L HN 0.329 nan 8.230 nan 0.000 0.433 307 Y N -0.379 119.888 120.300 -0.056 0.000 2.529 307 Y HA -0.118 4.428 4.550 -0.006 0.000 0.290 307 Y C 2.322 178.252 175.900 0.049 0.000 1.177 307 Y CA 0.548 58.656 58.100 0.014 0.000 1.305 307 Y CB -0.103 38.397 38.460 0.066 0.000 1.047 307 Y HN 0.353 nan 8.280 nan 0.000 0.522 308 Q N -0.815 119.065 119.800 0.134 0.000 2.316 308 Q HA 0.188 4.529 4.340 0.002 0.000 0.235 308 Q C -0.091 175.941 176.000 0.054 0.000 0.863 308 Q CA 0.224 56.079 55.803 0.087 0.000 0.939 308 Q CB -0.016 28.759 28.738 0.061 0.000 1.108 308 Q HN 0.292 nan 8.270 nan 0.000 0.522 309 L N 2.722 123.981 121.223 0.061 0.000 2.482 309 L HA 0.274 4.615 4.340 0.002 0.000 0.273 309 L C -1.800 175.105 176.870 0.059 0.000 1.228 309 L CA -1.928 52.933 54.840 0.035 0.000 0.827 309 L CB -0.034 42.032 42.059 0.012 0.000 1.099 309 L HN 0.141 nan 8.230 nan 0.000 0.494 310 P HA -0.020 nan 4.420 nan 0.000 0.265 310 P C 0.089 177.424 177.300 0.059 0.000 1.193 310 P CA 0.041 63.149 63.100 0.014 0.000 0.765 310 P CB 0.786 32.467 31.700 -0.031 0.000 0.823 311 A N 3.731 126.609 122.820 0.096 0.000 2.032 311 A HA -0.232 4.089 4.320 0.002 0.000 0.221 311 A C 1.639 179.303 177.584 0.133 0.000 1.165 311 A CA 2.068 54.209 52.037 0.173 0.000 0.645 311 A CB -1.131 17.924 19.000 0.093 0.000 0.807 311 A HN 0.663 nan 8.150 nan 0.000 0.453 312 D N -0.456 119.954 120.400 0.016 0.000 2.371 312 D HA -0.031 4.610 4.640 0.002 0.000 0.221 312 D C 1.214 177.437 176.300 -0.128 0.000 0.986 312 D CA 0.941 54.922 54.000 -0.031 0.000 0.899 312 D CB -0.699 40.080 40.800 -0.034 0.000 0.902 312 D HN 0.214 nan 8.370 nan 0.000 0.530 313 V N -0.669 119.081 119.914 -0.272 0.000 2.913 313 V HA -0.003 4.118 4.120 0.002 0.000 0.260 313 V C 0.273 175.862 176.094 -0.842 0.000 1.098 313 V CA 0.849 62.779 62.300 -0.617 0.000 1.121 313 V CB -0.908 30.377 31.823 -0.897 0.000 0.714 313 V HN 0.064 nan 8.190 nan 0.000 0.487 314 F N -1.758 118.138 119.950 -0.091 0.000 2.577 314 F HA 0.469 4.994 4.527 -0.005 0.000 0.318 314 F C 0.294 176.065 175.800 -0.048 0.000 1.065 314 F CA -1.146 56.797 58.000 -0.095 0.000 0.929 314 F CB 0.834 39.756 39.000 -0.129 0.000 1.237 314 F HN -0.153 nan 8.300 nan 0.000 0.468 315 H N 2.473 121.589 119.070 0.077 0.000 2.911 315 H HA 0.080 4.635 4.556 -0.001 0.000 0.273 315 H C -0.915 174.433 175.328 0.033 0.000 1.157 315 H CA -0.423 55.647 56.048 0.036 0.000 1.402 315 H CB 0.316 30.087 29.762 0.014 0.000 1.463 315 H HN 0.611 nan 8.280 nan 0.000 0.475 316 D N 4.958 125.163 120.400 -0.325 0.000 2.417 316 D HA 0.053 4.694 4.640 0.002 0.000 0.250 316 D C -0.268 175.898 176.300 -0.223 0.000 1.166 316 D CA -0.150 53.722 54.000 -0.213 0.000 0.881 316 D CB 0.347 41.051 40.800 -0.159 0.000 1.164 316 D HN 0.453 nan 8.370 nan 0.000 0.467 317 I N 2.961 123.473 120.570 -0.096 0.000 2.321 317 I HA 0.157 4.328 4.170 0.002 0.000 0.291 317 I C 1.460 177.545 176.117 -0.053 0.000 0.998 317 I CA -0.046 61.233 61.300 -0.035 0.000 1.227 317 I CB 1.745 39.762 38.000 0.028 0.000 1.368 317 I HN 0.516 nan 8.210 nan 0.000 0.466 318 T N 0.738 115.271 114.554 -0.034 0.000 3.040 318 T HA 0.261 4.613 4.350 0.002 0.000 0.266 318 T C 0.282 174.977 174.700 -0.009 0.000 1.005 318 T CA -0.289 61.793 62.100 -0.029 0.000 0.906 318 T CB -0.043 68.808 68.868 -0.028 0.000 1.082 318 T HN 0.551 nan 8.240 nan 0.000 0.531 319 E N 0.288 120.493 120.200 0.009 0.000 2.238 319 E HA 0.578 4.929 4.350 0.002 0.000 0.267 319 E C 0.045 176.659 176.600 0.022 0.000 0.887 319 E CA -0.285 56.125 56.400 0.017 0.000 0.769 319 E CB 1.368 31.085 29.700 0.029 0.000 1.187 319 E HN 0.486 nan 8.360 nan 0.000 0.416 320 G N 2.375 111.185 108.800 0.016 0.000 2.525 320 G HA2 0.009 3.970 3.960 0.002 0.000 0.685 320 G HA3 0.009 3.970 3.960 0.002 0.000 0.685 320 G C -1.401 173.502 174.900 0.005 0.000 1.290 320 G CA -0.422 44.689 45.100 0.017 0.000 0.915 320 G HN 1.039 nan 8.290 nan 0.000 0.548 321 N N -1.599 117.102 118.700 0.001 0.000 2.484 321 N HA 0.565 5.306 4.740 0.002 0.000 0.269 321 N C -0.309 175.197 175.510 -0.008 0.000 1.237 321 N CA -0.346 52.702 53.050 -0.002 0.000 0.838 321 N CB 1.249 39.728 38.487 -0.012 0.000 1.593 321 N HN 0.808 nan 8.380 nan 0.000 0.485 322 N N -0.657 118.050 118.700 0.010 0.000 2.546 322 N HA 0.125 4.866 4.740 0.002 0.000 0.286 322 N C -1.192 174.326 175.510 0.014 0.000 1.259 322 N CA -0.307 52.737 53.050 -0.008 0.000 0.939 322 N CB 0.041 38.538 38.487 0.018 0.000 1.243 322 N HN 0.643 nan 8.380 nan 0.000 0.511 323 D N 0.983 121.387 120.400 0.007 0.000 2.317 323 D HA 0.189 4.830 4.640 0.002 0.000 0.234 323 D C 0.925 177.231 176.300 0.009 0.000 1.112 323 D CA -0.616 53.410 54.000 0.042 0.000 0.840 323 D CB 1.052 41.873 40.800 0.035 0.000 1.078 323 D HN 0.401 nan 8.370 nan 0.000 0.486 324 I N 0.946 121.525 120.570 0.015 0.000 4.082 324 I HA 0.379 4.551 4.170 0.002 0.000 0.337 324 I C 1.359 177.476 176.117 0.000 0.000 1.352 324 I CA -0.436 60.852 61.300 -0.020 0.000 1.097 324 I CB 0.721 38.686 38.000 -0.058 0.000 1.048 324 I HN 0.230 nan 8.210 nan 0.000 0.393 325 A N 1.690 124.527 122.820 0.028 0.000 1.997 325 A HA 0.274 4.595 4.320 0.002 0.000 0.212 325 A C 0.775 178.365 177.584 0.010 0.000 1.178 325 A CA 1.223 53.266 52.037 0.010 0.000 0.698 325 A CB -0.376 18.615 19.000 -0.015 0.000 0.842 325 A HN 0.698 nan 8.150 nan 0.000 0.458 326 N N -2.704 116.016 118.700 0.032 0.000 3.378 326 N HA 0.276 5.017 4.740 0.002 0.000 0.294 326 N C -0.540 174.983 175.510 0.022 0.000 1.544 326 N CA -0.783 52.282 53.050 0.024 0.000 0.872 326 N CB 0.171 38.677 38.487 0.032 0.000 1.670 326 N HN -0.045 nan 8.380 nan 0.000 0.551 327 R N -0.691 119.817 120.500 0.014 0.000 2.466 327 R HA 0.437 4.778 4.340 0.002 0.000 0.279 327 R C 0.547 176.845 176.300 -0.003 0.000 0.976 327 R CA 0.266 56.368 56.100 0.003 0.000 1.081 327 R CB 0.174 30.475 30.300 0.001 0.000 1.215 327 R HN 0.608 nan 8.270 nan 0.000 0.546 328 A N 1.006 123.829 122.820 0.005 0.000 2.119 328 A HA -0.130 4.191 4.320 0.002 0.000 0.217 328 A C 0.915 178.465 177.584 -0.058 0.000 1.153 328 A CA 0.462 52.488 52.037 -0.018 0.000 0.692 328 A CB -0.024 18.980 19.000 0.007 0.000 0.799 328 A HN 0.464 nan 8.150 nan 0.000 0.458 329 Q N -2.141 117.629 119.800 -0.049 0.000 2.494 329 Q HA -0.167 4.174 4.340 0.002 0.000 0.272 329 Q C -0.943 174.974 176.000 -0.138 0.000 1.145 329 Q CA 0.685 56.448 55.803 -0.066 0.000 0.943 329 Q CB -1.531 27.178 28.738 -0.049 0.000 1.338 329 Q HN 0.719 nan 8.270 nan 0.000 0.492 330 I N 1.377 121.809 120.570 -0.229 0.000 2.312 330 I HA 0.299 4.470 4.170 0.002 0.000 0.290 330 I C -0.034 175.839 176.117 -0.407 0.000 1.008 330 I CA -0.549 60.419 61.300 -0.554 0.000 1.226 330 I CB 0.534 37.918 38.000 -1.028 0.000 1.371 330 I HN -0.015 nan 8.210 nan 0.000 0.468 331 Y N 4.415 124.619 120.300 -0.161 0.000 2.432 331 Y HA 0.488 5.042 4.550 0.007 0.000 0.322 331 Y C 0.371 176.212 175.900 -0.099 0.000 1.246 331 Y CA -0.491 57.524 58.100 -0.142 0.000 1.268 331 Y CB 0.900 39.289 38.460 -0.119 0.000 1.276 331 Y HN 0.456 nan 8.280 nan 0.000 0.499 332 Q N 0.636 120.481 119.800 0.074 0.000 2.348 332 Q HA 0.747 5.088 4.340 0.002 0.000 0.271 332 Q C -0.948 175.046 176.000 -0.010 0.000 1.067 332 Q CA -1.084 54.727 55.803 0.014 0.000 0.839 332 Q CB 2.199 30.933 28.738 -0.006 0.000 1.354 332 Q HN 0.855 nan 8.270 nan 0.000 0.447 333 A N 0.584 123.387 122.820 -0.028 0.000 2.287 333 A HA 0.834 5.155 4.320 0.002 0.000 0.273 333 A C 0.085 177.643 177.584 -0.043 0.000 1.091 333 A CA 0.601 52.603 52.037 -0.058 0.000 0.817 333 A CB 0.713 19.687 19.000 -0.043 0.000 1.069 333 A HN 0.802 nan 8.150 nan 0.000 0.492 334 G N -1.024 107.742 108.800 -0.056 0.000 2.490 334 G HA2 0.558 4.519 3.960 0.002 0.000 0.308 334 G HA3 0.558 4.519 3.960 0.002 0.000 0.308 334 G C -3.468 171.414 174.900 -0.031 0.000 1.286 334 G CA -0.746 44.337 45.100 -0.028 0.000 0.825 334 G HN 0.520 nan 8.290 nan 0.000 0.479 335 P HA 0.403 nan 4.420 nan 0.000 0.268 335 P C 1.007 178.312 177.300 0.009 0.000 1.205 335 P CA 1.662 64.758 63.100 -0.007 0.000 0.771 335 P CB 0.871 32.576 31.700 0.008 0.000 0.858 336 G N 1.854 110.652 108.800 -0.002 0.000 2.574 336 G HA2 -0.273 3.688 3.960 0.002 0.000 0.282 336 G HA3 -0.273 3.688 3.960 0.002 0.000 0.282 336 G C -0.719 174.193 174.900 0.020 0.000 1.257 336 G CA -0.163 44.951 45.100 0.022 0.000 0.956 336 G HN 0.622 nan 8.290 nan 0.000 0.560 337 W N 3.037 124.295 121.300 -0.069 0.000 2.295 337 W HA 0.440 5.095 4.660 -0.008 0.000 0.335 337 W C 0.582 177.086 176.519 -0.025 0.000 1.351 337 W CA 1.067 58.377 57.345 -0.058 0.000 1.273 337 W CB 0.132 29.598 29.460 0.011 0.000 1.214 337 W HN 0.879 nan 8.180 nan 0.000 0.563 338 D N 4.425 124.288 120.400 -0.894 0.000 2.596 338 D HA 0.392 5.034 4.640 0.002 0.000 0.234 338 D C -2.646 172.725 176.300 -1.549 0.000 1.181 338 D CA -2.058 51.442 54.000 -0.834 0.000 0.856 338 D CB 2.053 42.634 40.800 -0.365 0.000 1.498 338 D HN 0.029 nan 8.370 nan 0.000 0.446 339 P HA 0.244 nan 4.420 nan 0.000 0.253 339 P C -0.054 177.018 177.300 -0.379 0.000 1.508 339 P CA -0.024 62.662 63.100 -0.689 0.000 0.883 339 P CB -0.032 31.388 31.700 -0.467 0.000 1.519 340 C N -2.130 116.964 119.300 -0.343 0.000 2.478 340 C HA 0.120 4.581 4.460 0.002 0.000 0.397 340 C C 1.909 176.807 174.990 -0.154 0.000 1.360 340 C CA 1.160 60.080 59.018 -0.163 0.000 2.191 340 C CB -0.592 27.095 27.740 -0.088 0.000 2.654 340 C HN 0.290 nan 8.230 nan 0.000 0.548 341 T N -2.565 111.834 114.554 -0.259 0.000 3.087 341 T HA 0.494 4.845 4.350 0.002 0.000 0.283 341 T C 1.030 175.562 174.700 -0.280 0.000 0.956 341 T CA 1.054 63.049 62.100 -0.174 0.000 0.894 341 T CB 0.297 69.103 68.868 -0.103 0.000 1.160 341 T HN 0.938 nan 8.240 nan 0.000 0.532 342 G N 2.554 111.002 108.800 -0.587 0.000 2.547 342 G HA2 -0.291 3.670 3.960 0.002 0.000 0.271 342 G HA3 -0.291 3.670 3.960 0.002 0.000 0.271 342 G C 0.584 175.162 174.900 -0.537 0.000 1.209 342 G CA 0.100 44.792 45.100 -0.679 0.000 0.959 342 G HN 0.471 nan 8.290 nan 0.000 0.563 343 L N 2.161 123.181 121.223 -0.339 0.000 2.275 343 L HA 0.355 4.696 4.340 0.002 0.000 0.215 343 L C 1.996 178.620 176.870 -0.410 0.000 1.119 343 L CA 1.530 56.062 54.840 -0.514 0.000 0.790 343 L CB -1.108 40.232 42.059 -1.198 0.000 0.919 343 L HN 2.017 nan 8.230 nan 0.000 0.443 344 G N -0.624 108.012 108.800 -0.272 0.000 2.384 344 G HA2 -0.194 3.767 3.960 0.002 0.000 0.204 344 G HA3 -0.194 3.767 3.960 0.002 0.000 0.204 344 G C -0.417 174.457 174.900 -0.044 0.000 1.237 344 G CA -0.257 44.779 45.100 -0.107 0.000 1.060 344 G HN 0.245 nan 8.290 nan 0.000 0.514 345 S N 2.002 117.700 115.700 -0.004 0.000 2.499 345 S HA 0.654 5.125 4.470 0.002 0.000 0.275 345 S C -1.862 172.641 174.600 -0.162 0.000 1.257 345 S CA -0.335 57.752 58.200 -0.189 0.000 1.050 345 S CB 1.736 64.654 63.200 -0.470 0.000 0.937 345 S HN 0.734 nan 8.310 nan 0.000 0.490 346 P HA 0.279 nan 4.420 nan 0.000 0.271 346 P C -0.858 176.303 177.300 -0.232 0.000 1.218 346 P CA -0.409 62.556 63.100 -0.225 0.000 0.780 346 P CB 0.469 31.907 31.700 -0.436 0.000 0.901 347 I N 2.349 122.783 120.570 -0.226 0.000 2.330 347 I HA 0.208 4.379 4.170 0.002 0.000 0.286 347 I C 1.884 177.911 176.117 -0.151 0.000 1.025 347 I CA -0.209 61.024 61.300 -0.112 0.000 1.197 347 I CB 0.897 38.853 38.000 -0.074 0.000 1.358 347 I HN 0.446 nan 8.210 nan 0.000 0.467 348 G N 5.158 113.912 108.800 -0.076 0.000 2.764 348 G HA2 -0.302 3.659 3.960 0.002 0.000 0.219 348 G HA3 -0.302 3.659 3.960 0.002 0.000 0.219 348 G C 1.625 176.455 174.900 -0.116 0.000 1.259 348 G CA 1.805 46.830 45.100 -0.125 0.000 0.793 348 G HN 0.595 nan 8.290 nan 0.000 0.633 349 V N -0.752 119.133 119.914 -0.050 0.000 2.324 349 V HA -0.222 3.899 4.120 0.002 0.000 0.250 349 V C 2.655 178.692 176.094 -0.095 0.000 1.060 349 V CA 2.681 64.948 62.300 -0.054 0.000 1.042 349 V CB -0.799 31.011 31.823 -0.022 0.000 0.650 349 V HN 0.350 nan 8.190 nan 0.000 0.450 350 R N -0.408 120.018 120.500 -0.124 0.000 2.062 350 R HA 0.015 4.356 4.340 0.002 0.000 0.231 350 R C 2.310 178.479 176.300 -0.219 0.000 1.136 350 R CA 1.679 57.680 56.100 -0.165 0.000 0.948 350 R CB -0.711 29.476 30.300 -0.188 0.000 0.845 350 R HN 0.492 nan 8.270 nan 0.000 0.430 351 L N 1.101 122.157 121.223 -0.279 0.000 2.021 351 L HA -0.199 4.142 4.340 0.002 0.000 0.215 351 L C 1.981 178.731 176.870 -0.201 0.000 1.074 351 L CA 1.695 56.360 54.840 -0.292 0.000 0.760 351 L CB -0.856 41.014 42.059 -0.316 0.000 0.889 351 L HN 0.232 nan 8.230 nan 0.000 0.433 352 L N -0.901 120.222 121.223 -0.167 0.000 2.027 352 L HA -0.200 4.141 4.340 0.002 0.000 0.206 352 L C 2.507 179.316 176.870 -0.102 0.000 1.074 352 L CA 1.641 56.406 54.840 -0.123 0.000 0.745 352 L CB -0.607 41.391 42.059 -0.101 0.000 0.898 352 L HN 0.362 nan 8.230 nan 0.000 0.433 353 Q N -0.143 119.598 119.800 -0.098 0.000 2.062 353 Q HA -0.249 4.092 4.340 0.002 0.000 0.209 353 Q C 2.188 178.137 176.000 -0.085 0.000 0.996 353 Q CA 2.506 58.260 55.803 -0.081 0.000 0.859 353 Q CB -0.505 28.187 28.738 -0.078 0.000 0.920 353 Q HN 0.720 nan 8.270 nan 0.000 0.415 354 A N -0.398 122.356 122.820 -0.110 0.000 2.178 354 A HA -0.090 4.231 4.320 0.002 0.000 0.218 354 A C 1.651 179.180 177.584 -0.090 0.000 1.157 354 A CA 0.952 52.927 52.037 -0.104 0.000 0.689 354 A CB -0.267 18.651 19.000 -0.137 0.000 0.787 354 A HN 0.352 nan 8.150 nan 0.000 0.465 355 L N -0.820 120.348 121.223 -0.092 0.000 2.590 355 L HA 0.229 4.570 4.340 0.002 0.000 0.227 355 L C -0.076 176.757 176.870 -0.061 0.000 1.099 355 L CA -0.353 54.440 54.840 -0.078 0.000 0.872 355 L CB -0.136 41.870 42.059 -0.088 0.000 1.088 355 L HN 0.222 nan 8.230 nan 0.000 0.479 356 L N 1.952 123.141 121.223 -0.058 0.000 2.499 356 L HA 0.104 4.445 4.340 0.002 0.000 0.273 356 L C -1.485 175.362 176.870 -0.039 0.000 1.195 356 L CA -1.093 53.720 54.840 -0.045 0.000 0.882 356 L CB -0.592 41.443 42.059 -0.041 0.000 1.133 356 L HN -0.028 nan 8.230 nan 0.000 0.483 357 P HA 0.675 nan 4.420 nan 0.000 0.345 357 P C -0.443 176.843 177.300 -0.023 0.000 1.344 357 P CA -0.198 62.886 63.100 -0.027 0.000 0.803 357 P CB 0.851 32.537 31.700 -0.024 0.000 1.876 358 S N 0.000 115.688 115.700 -0.019 0.000 2.498 358 S HA 0.000 4.471 4.470 0.002 0.000 0.327 358 S CA 0.000 nan 58.200 nan 0.000 1.107 358 S CB 0.000 nan 63.200 nan 0.000 0.593 358 S HN 0.000 nan 8.310 nan 0.000 0.517