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 3ik4_1_C DATA FIRST_RESID 0 DATA SEQUENCE SLPTTIQAIS AEAINLPLTE XXXXXXXXXA VAANVLVKVQ LADGTLGLGE DATA SEQUENCE AAPFPAVSGE TQTGTSAAIE RLQSHLLGAD VRGWRKLAAM LDHAEHEAAA DATA SEQUENCE ARCGLEMAML DALTRHYHMP LHVFFGGVSK QLETDMTITA GDEVHAAASA DATA SEQUENCE KAILARGIKS IKVKTAGVDV AYDLARLRAI HQAAPTAPLI VDGNCGYDVE DATA SEQUENCE RALAFCAACK AESIPMVLFE QPLPREDWAG MAQVTAQSGF AVAADESARS DATA SEQUENCE AHDVLRIARE GTASVINIKL MKAGVAEGLK MIAIAQAAGL GLMIGGMVES DATA SEQUENCE ILAMSFSANL AAGNGGFDFI DLDTPLFIAE HPFIGGFAQT GGTLQLADVA DATA SEQUENCE GHGVNLEG 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.608 174.600 0.013 0.000 1.055 0 S CA 0.000 58.206 58.200 0.011 0.000 1.107 0 S CB 0.000 63.206 63.200 0.010 0.000 0.593 1 L N 5.190 126.421 121.223 0.014 0.000 2.472 1 L HA 0.324 4.664 4.340 -0.001 0.000 0.273 1 L C -1.133 175.745 176.870 0.013 0.000 1.254 1 L CA -1.081 53.768 54.840 0.015 0.000 0.823 1 L CB 0.049 42.116 42.059 0.013 0.000 1.096 1 L HN 0.440 nan 8.230 nan 0.000 0.521 2 P HA 0.004 nan 4.420 nan 0.000 0.251 2 P C 0.679 177.980 177.300 0.001 0.000 1.223 2 P CA 0.523 63.640 63.100 0.028 0.000 0.796 2 P CB 0.147 31.884 31.700 0.063 0.000 1.068 3 T N -4.819 109.709 114.554 -0.043 0.000 3.176 3 T HA 0.163 4.513 4.350 -0.001 0.000 0.263 3 T C 0.570 175.253 174.700 -0.029 0.000 1.021 3 T CA -0.189 61.857 62.100 -0.090 0.000 0.905 3 T CB -1.052 67.703 68.868 -0.188 0.000 1.057 3 T HN -0.175 nan 8.240 nan 0.000 0.558 4 T N 3.203 117.753 114.554 -0.006 0.000 2.870 4 T HA 0.382 4.731 4.350 -0.001 0.000 0.300 4 T C 0.436 175.142 174.700 0.010 0.000 0.989 4 T CA -0.289 61.816 62.100 0.008 0.000 1.139 4 T CB 0.113 68.988 68.868 0.011 0.000 0.920 4 T HN 0.368 nan 8.240 nan 0.000 0.537 5 I N 4.598 125.179 120.570 0.019 0.000 2.505 5 I HA 0.023 4.192 4.170 -0.001 0.000 0.287 5 I C 1.484 177.613 176.117 0.020 0.000 1.104 5 I CA -0.234 61.080 61.300 0.022 0.000 1.387 5 I CB 0.452 38.473 38.000 0.034 0.000 1.404 5 I HN 0.593 nan 8.210 nan 0.000 0.528 6 Q N 4.925 124.735 119.800 0.017 0.000 2.823 6 Q HA 0.371 4.710 4.340 -0.001 0.000 0.426 6 Q C 0.339 176.350 176.000 0.018 0.000 1.118 6 Q CA 0.042 55.855 55.803 0.015 0.000 0.461 6 Q CB 0.079 28.825 28.738 0.013 0.000 5.137 6 Q HN 0.766 nan 8.270 nan 0.000 0.311 7 A N 0.433 123.263 122.820 0.017 0.000 2.295 7 A HA 0.613 4.932 4.320 -0.001 0.000 0.318 7 A C -0.485 177.112 177.584 0.021 0.000 1.134 7 A CA -0.438 51.610 52.037 0.018 0.000 0.827 7 A CB 0.386 19.395 19.000 0.015 0.000 1.136 7 A HN 0.451 nan 8.150 nan 0.000 0.493 8 I N 1.754 122.339 120.570 0.024 0.000 2.362 8 I HA 0.284 4.454 4.170 -0.001 0.000 0.289 8 I C 0.300 176.432 176.117 0.025 0.000 0.994 8 I CA -0.276 61.040 61.300 0.026 0.000 1.158 8 I CB 2.095 40.114 38.000 0.031 0.000 1.315 8 I HN 0.633 nan 8.210 nan 0.000 0.451 9 S N 5.126 120.841 115.700 0.025 0.000 2.420 9 S HA 0.771 5.240 4.470 -0.001 0.000 0.313 9 S C -0.253 174.364 174.600 0.027 0.000 1.079 9 S CA -0.698 57.516 58.200 0.024 0.000 1.104 9 S CB 1.409 64.622 63.200 0.022 0.000 0.969 9 S HN 0.675 nan 8.310 nan 0.000 0.471 10 A N 3.696 126.531 122.820 0.025 0.000 2.271 10 A HA 0.686 5.006 4.320 -0.001 0.000 0.317 10 A C 0.069 177.667 177.584 0.024 0.000 1.245 10 A CA -0.822 51.231 52.037 0.026 0.000 0.857 10 A CB 0.474 19.488 19.000 0.024 0.000 1.175 10 A HN 0.963 nan 8.150 nan 0.000 0.512 11 E N 1.633 121.850 120.200 0.028 0.000 2.299 11 E HA 0.762 5.112 4.350 -0.001 0.000 0.265 11 E C -0.395 176.220 176.600 0.026 0.000 0.911 11 E CA -1.006 55.408 56.400 0.023 0.000 0.789 11 E CB 1.887 31.599 29.700 0.019 0.000 1.246 11 E HN 0.668 nan 8.360 nan 0.000 0.427 12 A N 2.090 124.921 122.820 0.018 0.000 2.331 12 A HA 0.563 4.882 4.320 -0.001 0.000 0.283 12 A C -0.079 177.517 177.584 0.020 0.000 1.142 12 A CA -0.818 51.230 52.037 0.019 0.000 0.812 12 A CB -0.225 18.781 19.000 0.010 0.000 1.074 12 A HN 0.614 nan 8.150 nan 0.000 0.497 13 I N 0.384 120.974 120.570 0.033 0.000 2.476 13 I HA 0.424 4.593 4.170 -0.001 0.000 0.281 13 I C -1.185 174.956 176.117 0.040 0.000 1.040 13 I CA -0.934 60.389 61.300 0.038 0.000 1.094 13 I CB 1.721 39.768 38.000 0.078 0.000 1.219 13 I HN 0.283 nan 8.210 nan 0.000 0.450 14 N N 7.635 126.348 118.700 0.022 0.000 2.437 14 N HA 0.640 5.379 4.740 -0.001 0.000 0.259 14 N C -1.037 174.490 175.510 0.029 0.000 0.983 14 N CA -0.286 52.776 53.050 0.021 0.000 0.937 14 N CB 2.099 40.590 38.487 0.007 0.000 1.122 14 N HN 0.617 nan 8.380 nan 0.000 0.499 15 L N 3.149 124.400 121.223 0.047 0.000 2.341 15 L HA 0.601 4.941 4.340 -0.001 0.000 0.278 15 L C -2.173 174.734 176.870 0.062 0.000 1.005 15 L CA -1.927 52.953 54.840 0.066 0.000 0.818 15 L CB 2.157 44.282 42.059 0.111 0.000 1.259 15 L HN 0.250 nan 8.230 nan 0.000 0.418 16 P HA 0.325 nan 4.420 nan 0.000 0.277 16 P C -0.646 176.701 177.300 0.080 0.000 1.240 16 P CA -0.329 62.803 63.100 0.054 0.000 0.798 16 P CB 1.547 33.272 31.700 0.042 0.000 0.979 17 L N 0.827 122.095 121.223 0.074 0.000 2.836 17 L HA 0.433 4.772 4.340 -0.001 0.000 0.216 17 L C 2.016 178.950 176.870 0.107 0.000 1.861 17 L CA -0.237 54.665 54.840 0.104 0.000 2.145 17 L CB -0.401 41.709 42.059 0.085 0.000 2.671 17 L HN 0.392 nan 8.230 nan 0.000 0.594 18 T N -3.940 110.686 114.554 0.119 0.000 3.058 18 T HA 0.255 4.605 4.350 -0.001 0.000 0.247 18 T C 0.163 174.902 174.700 0.066 0.000 0.987 18 T CA -0.221 61.948 62.100 0.114 0.000 1.062 18 T CB 0.350 69.332 68.868 0.189 0.000 1.048 18 T HN 0.674 nan 8.240 nan 0.000 0.468 30 V N 1.596 121.503 119.914 -0.012 0.000 2.444 30 V HA 0.704 4.824 4.120 -0.001 0.000 0.294 30 V C 0.249 176.334 176.094 -0.016 0.000 1.022 30 V CA -0.120 62.176 62.300 -0.006 0.000 0.850 30 V CB 1.403 33.218 31.823 -0.013 0.000 0.992 30 V HN 0.827 nan 8.190 nan 0.000 0.426 31 A N 4.216 127.040 122.820 0.007 0.000 2.294 31 A HA 0.731 5.050 4.320 -0.001 0.000 0.316 31 A C 0.652 178.241 177.584 0.009 0.000 1.359 31 A CA -0.135 51.906 52.037 0.007 0.000 0.956 31 A CB 0.435 19.461 19.000 0.042 0.000 1.155 31 A HN 1.276 nan 8.150 nan 0.000 0.544 32 A N 4.339 127.150 122.820 -0.014 0.000 2.906 32 A HA 0.414 4.733 4.320 -0.001 0.000 0.289 32 A C 0.108 177.697 177.584 0.007 0.000 1.675 32 A CA -0.405 51.628 52.037 -0.008 0.000 1.372 32 A CB -0.770 18.214 19.000 -0.026 0.000 1.091 32 A HN 0.750 nan 8.150 nan 0.000 0.579 33 N N -0.091 118.625 118.700 0.027 0.000 2.477 33 N HA 0.605 5.344 4.740 -0.001 0.000 0.284 33 N C -0.766 174.767 175.510 0.039 0.000 1.182 33 N CA -0.517 52.555 53.050 0.038 0.000 0.949 33 N CB 1.638 40.160 38.487 0.058 0.000 1.204 33 N HN 0.152 nan 8.380 nan 0.000 0.526 34 V N 1.591 121.526 119.914 0.036 0.000 2.444 34 V HA 0.306 4.425 4.120 -0.001 0.000 0.294 34 V C -0.535 175.588 176.094 0.047 0.000 1.022 34 V CA -0.872 61.450 62.300 0.036 0.000 0.850 34 V CB 1.584 33.420 31.823 0.022 0.000 0.992 34 V HN 0.426 nan 8.190 nan 0.000 0.426 35 L N 7.180 128.445 121.223 0.069 0.000 2.290 35 L HA 0.598 4.937 4.340 -0.001 0.000 0.284 35 L C -0.300 176.606 176.870 0.060 0.000 1.078 35 L CA 0.365 55.260 54.840 0.092 0.000 0.815 35 L CB 1.382 43.529 42.059 0.146 0.000 1.162 35 L HN 0.448 nan 8.230 nan 0.000 0.435 36 V N 5.515 125.457 119.914 0.047 0.000 2.398 36 V HA 0.498 4.618 4.120 -0.001 0.000 0.286 36 V C -0.212 175.910 176.094 0.048 0.000 1.026 36 V CA -0.742 61.579 62.300 0.035 0.000 0.868 36 V CB 1.343 33.174 31.823 0.014 0.000 0.982 36 V HN 0.704 nan 8.190 nan 0.000 0.443 37 K N 3.849 124.276 120.400 0.045 0.000 2.559 37 K HA 0.556 4.875 4.320 -0.001 0.000 0.249 37 K C -0.748 175.873 176.600 0.034 0.000 0.958 37 K CA -0.586 55.729 56.287 0.047 0.000 0.901 37 K CB 2.192 34.722 32.500 0.050 0.000 1.124 37 K HN 0.629 nan 8.250 nan 0.000 0.437 38 V N 0.111 120.043 119.914 0.030 0.000 2.509 38 V HA 0.385 4.505 4.120 -0.001 0.000 0.284 38 V C -0.355 175.749 176.094 0.017 0.000 1.047 38 V CA -0.568 61.746 62.300 0.024 0.000 0.952 38 V CB 1.232 33.070 31.823 0.023 0.000 0.988 38 V HN 0.673 nan 8.190 nan 0.000 0.469 39 Q N 3.413 123.223 119.800 0.016 0.000 2.325 39 Q HA 0.551 4.890 4.340 -0.001 0.000 0.270 39 Q C -1.580 174.426 176.000 0.010 0.000 1.020 39 Q CA -0.837 54.973 55.803 0.011 0.000 0.785 39 Q CB 2.334 31.079 28.738 0.012 0.000 1.259 39 Q HN 0.659 nan 8.270 nan 0.000 0.452 40 L N 1.079 122.306 121.223 0.007 0.000 2.375 40 L HA 0.446 4.786 4.340 -0.001 0.000 0.268 40 L C 0.494 177.370 176.870 0.011 0.000 1.058 40 L CA -0.189 54.655 54.840 0.006 0.000 0.803 40 L CB 1.059 43.117 42.059 -0.002 0.000 1.212 40 L HN 0.739 nan 8.230 nan 0.000 0.451 41 A N 1.306 124.133 122.820 0.011 0.000 3.029 41 A HA 0.351 4.671 4.320 -0.001 0.000 0.251 41 A C 0.045 177.640 177.584 0.017 0.000 1.749 41 A CA 0.258 52.302 52.037 0.012 0.000 1.386 41 A CB -1.275 17.732 19.000 0.011 0.000 1.043 41 A HN 0.748 nan 8.150 nan 0.000 0.638 42 D N -2.656 117.756 120.400 0.019 0.000 2.489 42 D HA 0.146 4.786 4.640 -0.001 0.000 0.343 42 D C 0.750 177.053 176.300 0.004 0.000 1.295 42 D CA 0.717 54.729 54.000 0.020 0.000 0.908 42 D CB -0.812 40.018 40.800 0.049 0.000 1.382 42 D HN 1.023 nan 8.370 nan 0.000 0.468 43 G N 0.603 109.405 108.800 0.003 0.000 2.134 43 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.209 43 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.209 43 G C 0.260 175.150 174.900 -0.016 0.000 0.993 43 G CA 0.159 45.254 45.100 -0.008 0.000 0.669 43 G HN 0.833 nan 8.290 nan 0.000 0.519 44 T N -1.259 113.290 114.554 -0.008 0.000 2.882 44 T HA 0.666 5.016 4.350 -0.001 0.000 0.287 44 T C -0.154 174.535 174.700 -0.019 0.000 0.992 44 T CA -0.646 61.441 62.100 -0.022 0.000 1.076 44 T CB 2.599 71.466 68.868 -0.001 0.000 0.961 44 T HN 1.046 nan 8.240 nan 0.000 0.490 45 L N 3.196 124.401 121.223 -0.031 0.000 2.295 45 L HA 0.694 5.033 4.340 -0.001 0.000 0.281 45 L C 0.150 177.006 176.870 -0.024 0.000 1.018 45 L CA -0.199 54.633 54.840 -0.015 0.000 0.841 45 L CB 0.672 42.728 42.059 -0.004 0.000 1.218 45 L HN 0.975 nan 8.230 nan 0.000 0.424 46 G N 6.310 115.105 108.800 -0.009 0.000 2.347 46 G HA2 0.551 4.510 3.960 -0.001 0.000 0.314 46 G HA3 0.551 4.510 3.960 -0.001 0.000 0.314 46 G C -0.929 173.997 174.900 0.044 0.000 1.126 46 G CA -0.499 44.596 45.100 -0.009 0.000 0.929 46 G HN 0.539 nan 8.290 nan 0.000 0.441 47 L N 2.197 123.484 121.223 0.107 0.000 2.322 47 L HA 0.802 5.141 4.340 -0.001 0.000 0.279 47 L C 0.755 177.714 176.870 0.147 0.000 1.036 47 L CA -0.687 54.253 54.840 0.166 0.000 0.807 47 L CB 2.064 44.272 42.059 0.248 0.000 1.226 47 L HN 0.603 nan 8.230 nan 0.000 0.433 48 G N 1.261 110.085 108.800 0.040 0.000 2.642 48 G HA2 0.589 4.549 3.960 -0.001 0.000 0.293 48 G HA3 0.589 4.549 3.960 -0.001 0.000 0.293 48 G C -1.934 172.921 174.900 -0.075 0.000 1.341 48 G CA -0.283 44.785 45.100 -0.053 0.000 0.916 48 G HN 0.538 nan 8.290 nan 0.000 0.474 49 E N -0.471 119.653 120.200 -0.128 0.000 2.256 49 E HA 0.609 4.958 4.350 -0.001 0.000 0.268 49 E C -0.667 175.889 176.600 -0.074 0.000 0.877 49 E CA -0.881 55.463 56.400 -0.093 0.000 0.757 49 E CB 2.015 31.630 29.700 -0.142 0.000 1.183 49 E HN 0.723 nan 8.360 nan 0.000 0.418 50 A N 2.666 125.467 122.820 -0.031 0.000 2.317 50 A HA 0.791 5.111 4.320 -0.001 0.000 0.327 50 A C -0.658 176.927 177.584 0.003 0.000 1.178 50 A CA -0.189 51.837 52.037 -0.018 0.000 0.817 50 A CB 1.423 20.419 19.000 -0.006 0.000 1.189 50 A HN 0.557 nan 8.150 nan 0.000 0.489 51 A N 4.117 126.945 122.820 0.013 0.000 3.127 51 A HA 0.655 4.974 4.320 -0.001 0.000 0.319 51 A C -2.821 174.806 177.584 0.072 0.000 1.104 51 A CA -1.187 50.875 52.037 0.041 0.000 0.802 51 A CB 0.256 19.284 19.000 0.047 0.000 1.193 51 A HN 0.582 nan 8.150 nan 0.000 0.479 52 P HA 0.383 nan 4.420 nan 0.000 0.274 52 P C -0.767 176.611 177.300 0.130 0.000 1.237 52 P CA -0.204 62.948 63.100 0.085 0.000 0.793 52 P CB 0.766 32.493 31.700 0.045 0.000 0.977 53 F N 2.193 122.140 119.950 -0.005 0.000 2.436 53 F HA 0.386 4.912 4.527 -0.001 0.000 0.340 53 F C -1.774 174.022 175.800 -0.006 0.000 1.113 53 F CA -2.290 55.707 58.000 -0.005 0.000 1.022 53 F CB 0.859 39.855 39.000 -0.007 0.000 1.128 53 F HN 0.214 nan 8.300 nan 0.000 0.466 54 P HA -0.192 nan 4.420 nan 0.000 0.269 54 P C -0.929 176.345 177.300 -0.043 0.000 1.153 54 P CA 0.320 63.287 63.100 -0.221 0.000 0.754 54 P CB 0.229 31.700 31.700 -0.381 0.000 0.758 55 A N 2.766 125.565 122.820 -0.035 0.000 3.052 55 A HA 0.226 4.545 4.320 -0.001 0.000 0.285 55 A C 0.290 177.882 177.584 0.015 0.000 1.928 55 A CA 0.371 52.408 52.037 -0.001 0.000 1.453 55 A CB -1.003 17.990 19.000 -0.011 0.000 0.970 55 A HN 0.413 nan 8.150 nan 0.000 0.603 56 V N 2.117 122.057 119.914 0.044 0.000 2.629 56 V HA 0.370 4.490 4.120 -0.001 0.000 0.263 56 V C 0.287 176.413 176.094 0.054 0.000 0.959 56 V CA 0.379 62.707 62.300 0.047 0.000 0.869 56 V CB 0.040 31.895 31.823 0.054 0.000 1.060 56 V HN 1.175 nan 8.190 nan 0.000 0.474 57 S N 3.029 118.753 115.700 0.039 0.000 3.641 57 S HA -0.129 4.341 4.470 -0.001 0.000 0.346 57 S C 0.541 175.169 174.600 0.047 0.000 1.074 57 S CA 1.102 59.325 58.200 0.037 0.000 1.026 57 S CB -1.343 61.875 63.200 0.030 0.000 0.908 57 S HN 1.804 nan 8.310 nan 0.000 0.479 58 G N -0.344 108.488 108.800 0.053 0.000 2.708 58 G HA2 0.630 4.590 3.960 -0.001 0.000 0.289 58 G HA3 0.630 4.590 3.960 -0.001 0.000 0.289 58 G C -1.203 173.725 174.900 0.048 0.000 1.416 58 G CA -0.894 44.245 45.100 0.064 0.000 0.829 58 G HN 0.267 nan 8.290 nan 0.000 0.480 59 E N -0.515 119.714 120.200 0.048 0.000 2.345 59 E HA 0.528 4.878 4.350 -0.001 0.000 0.259 59 E C 0.244 176.857 176.600 0.022 0.000 1.117 59 E CA -0.373 56.045 56.400 0.030 0.000 0.913 59 E CB 1.223 30.939 29.700 0.026 0.000 1.057 59 E HN 0.584 nan 8.360 nan 0.000 0.432 60 T N -2.535 112.024 114.554 0.009 0.000 2.926 60 T HA 0.124 4.473 4.350 -0.001 0.000 0.289 60 T C 0.836 175.535 174.700 -0.001 0.000 1.054 60 T CA -0.851 61.247 62.100 -0.004 0.000 1.015 60 T CB 1.683 70.545 68.868 -0.010 0.000 1.167 60 T HN 0.554 nan 8.240 nan 0.000 0.526 61 Q N 0.185 119.981 119.800 -0.007 0.000 2.061 61 Q HA -0.144 4.195 4.340 -0.001 0.000 0.204 61 Q C 1.828 177.829 176.000 0.001 0.000 0.984 61 Q CA 2.315 58.117 55.803 -0.001 0.000 0.846 61 Q CB -0.696 28.039 28.738 -0.005 0.000 0.902 61 Q HN 0.874 nan 8.270 nan 0.000 0.421 62 T N -0.498 114.055 114.554 -0.002 0.000 2.857 62 T HA -0.046 4.304 4.350 -0.001 0.000 0.266 62 T C 1.640 176.342 174.700 0.003 0.000 1.048 62 T CA 0.982 63.083 62.100 0.001 0.000 1.139 62 T CB -0.489 68.378 68.868 -0.002 0.000 0.874 62 T HN 0.555 nan 8.240 nan 0.000 0.455 63 G N 1.186 109.988 108.800 0.003 0.000 2.432 63 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.219 63 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.219 63 G C 1.651 176.555 174.900 0.006 0.000 1.135 63 G CA 1.272 46.375 45.100 0.005 0.000 0.767 63 G HN 0.444 nan 8.290 nan 0.000 0.550 64 T N 0.953 115.511 114.554 0.006 0.000 2.770 64 T HA -0.056 4.293 4.350 -0.001 0.000 0.263 64 T C 2.853 177.558 174.700 0.009 0.000 1.039 64 T CA 1.344 63.448 62.100 0.007 0.000 1.142 64 T CB -0.265 68.608 68.868 0.007 0.000 0.868 64 T HN 0.246 nan 8.240 nan 0.000 0.435 65 S N 1.579 117.284 115.700 0.009 0.000 2.359 65 S HA -0.145 4.324 4.470 -0.001 0.000 0.223 65 S C 2.565 177.173 174.600 0.013 0.000 1.039 65 S CA 1.232 59.439 58.200 0.012 0.000 1.042 65 S CB -0.665 62.542 63.200 0.010 0.000 0.915 65 S HN 0.594 nan 8.310 nan 0.000 0.439 66 A N 1.330 124.157 122.820 0.012 0.000 1.940 66 A HA 0.066 4.386 4.320 -0.001 0.000 0.219 66 A C 2.336 179.929 177.584 0.016 0.000 1.176 66 A CA 1.813 53.858 52.037 0.013 0.000 0.631 66 A CB -1.030 17.976 19.000 0.011 0.000 0.814 66 A HN 0.538 nan 8.150 nan 0.000 0.446 67 A N -0.253 122.575 122.820 0.013 0.000 1.930 67 A HA -0.033 4.286 4.320 -0.001 0.000 0.217 67 A C 2.111 179.705 177.584 0.018 0.000 1.175 67 A CA 1.377 53.422 52.037 0.013 0.000 0.627 67 A CB -0.543 18.461 19.000 0.006 0.000 0.815 67 A HN 0.488 nan 8.150 nan 0.000 0.443 68 I N -0.030 120.551 120.570 0.018 0.000 2.226 68 I HA -0.226 3.943 4.170 -0.001 0.000 0.245 68 I C 2.217 178.354 176.117 0.033 0.000 1.100 68 I CA 1.337 62.651 61.300 0.023 0.000 1.374 68 I CB -0.242 37.770 38.000 0.020 0.000 1.057 68 I HN 0.324 nan 8.210 nan 0.000 0.413 69 E N 0.521 120.740 120.200 0.031 0.000 2.208 69 E HA -0.142 4.208 4.350 -0.001 0.000 0.193 69 E C 2.181 178.809 176.600 0.047 0.000 0.988 69 E CA 0.728 57.149 56.400 0.035 0.000 0.828 69 E CB -0.241 29.475 29.700 0.027 0.000 0.763 69 E HN 0.510 nan 8.360 nan 0.000 0.478 70 R N 0.240 120.769 120.500 0.049 0.000 2.073 70 R HA 0.061 4.401 4.340 -0.001 0.000 0.229 70 R C 2.461 178.829 176.300 0.114 0.000 1.120 70 R CA 0.669 56.811 56.100 0.069 0.000 0.967 70 R CB -0.184 30.146 30.300 0.049 0.000 0.862 70 R HN 0.149 nan 8.270 nan 0.000 0.436 71 L N 0.301 121.574 121.223 0.083 0.000 2.313 71 L HA -0.065 4.274 4.340 -0.001 0.000 0.214 71 L C 2.498 179.446 176.870 0.130 0.000 1.119 71 L CA 0.709 55.604 54.840 0.092 0.000 0.809 71 L CB -0.223 41.857 42.059 0.034 0.000 0.933 71 L HN 0.220 nan 8.230 nan 0.000 0.449 72 Q N -0.582 119.276 119.800 0.096 0.000 2.226 72 Q HA -0.207 4.132 4.340 -0.001 0.000 0.204 72 Q C 2.370 178.418 176.000 0.081 0.000 0.975 72 Q CA 1.479 57.329 55.803 0.079 0.000 0.866 72 Q CB 0.078 28.848 28.738 0.053 0.000 0.915 72 Q HN 0.363 nan 8.270 nan 0.000 0.440 73 S N -0.942 114.814 115.700 0.093 0.000 2.402 73 S HA -0.145 4.324 4.470 -0.001 0.000 0.229 73 S C 1.228 175.818 174.600 -0.017 0.000 1.021 73 S CA 1.017 59.236 58.200 0.032 0.000 0.974 73 S CB -0.078 63.128 63.200 0.009 0.000 0.800 73 S HN 0.540 nan 8.310 nan 0.000 0.484 74 H N 0.178 119.267 119.070 0.033 0.000 2.535 74 H HA 0.307 4.863 4.556 -0.001 0.000 0.273 74 H C 1.498 176.849 175.328 0.038 0.000 0.983 74 H CA 0.842 56.913 56.048 0.039 0.000 1.238 74 H CB 0.105 29.896 29.762 0.049 0.000 1.412 74 H HN 0.310 nan 8.280 nan 0.000 0.562 75 L N -0.072 121.235 121.223 0.140 0.000 2.554 75 L HA 0.150 4.489 4.340 -0.001 0.000 0.225 75 L C 0.025 176.931 176.870 0.060 0.000 1.104 75 L CA -0.080 54.818 54.840 0.096 0.000 0.866 75 L CB 0.375 42.487 42.059 0.089 0.000 1.047 75 L HN 0.135 nan 8.230 nan 0.000 0.468 76 L N 0.764 122.013 121.223 0.044 0.000 2.462 76 L HA 0.118 4.458 4.340 -0.001 0.000 0.272 76 L C 1.405 178.287 176.870 0.019 0.000 1.166 76 L CA 0.767 55.622 54.840 0.025 0.000 0.880 76 L CB 0.522 42.588 42.059 0.012 0.000 1.142 76 L HN 0.386 nan 8.230 nan 0.000 0.473 77 G N 2.477 111.289 108.800 0.020 0.000 2.234 77 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.260 77 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.260 77 G C 0.442 175.355 174.900 0.021 0.000 0.987 77 G CA 0.123 45.232 45.100 0.016 0.000 0.625 77 G HN 0.917 nan 8.290 nan 0.000 0.532 78 A N 0.039 122.877 122.820 0.030 0.000 2.351 78 A HA 0.546 4.866 4.320 -0.001 0.000 0.257 78 A C 0.243 177.850 177.584 0.038 0.000 1.087 78 A CA 0.517 52.576 52.037 0.036 0.000 0.798 78 A CB 0.430 19.460 19.000 0.049 0.000 1.033 78 A HN 0.409 nan 8.150 nan 0.000 0.488 79 D N 1.182 121.605 120.400 0.038 0.000 2.383 79 D HA 0.115 4.755 4.640 -0.001 0.000 0.252 79 D C 0.902 177.239 176.300 0.062 0.000 1.166 79 D CA 0.091 54.115 54.000 0.040 0.000 0.879 79 D CB 1.368 42.190 40.800 0.037 0.000 1.164 79 D HN 0.110 nan 8.370 nan 0.000 0.462 80 V N 5.397 125.347 119.914 0.059 0.000 2.970 80 V HA -0.108 4.011 4.120 -0.001 0.000 0.260 80 V C 2.078 178.275 176.094 0.172 0.000 1.100 80 V CA 1.338 63.695 62.300 0.096 0.000 1.122 80 V CB -0.329 31.523 31.823 0.047 0.000 0.721 80 V HN 0.536 nan 8.190 nan 0.000 0.483 81 R N 0.276 120.862 120.500 0.144 0.000 2.285 81 R HA -0.018 4.321 4.340 -0.001 0.000 0.213 81 R C 1.648 178.068 176.300 0.200 0.000 1.068 81 R CA 0.891 57.120 56.100 0.215 0.000 1.004 81 R CB -0.355 30.034 30.300 0.148 0.000 0.873 81 R HN 0.530 nan 8.270 nan 0.000 0.467 82 G N 0.889 109.763 108.800 0.125 0.000 3.678 82 G HA2 -0.038 3.922 3.960 -0.001 0.000 0.287 82 G HA3 -0.038 3.922 3.960 -0.001 0.000 0.287 82 G C 0.863 175.773 174.900 0.016 0.000 1.280 82 G CA -0.667 44.444 45.100 0.019 0.000 1.118 82 G HN 0.458 nan 8.290 nan 0.000 0.563 83 W N 0.213 121.550 121.300 0.061 0.000 2.350 83 W HA -0.103 4.556 4.660 -0.001 0.000 0.289 83 W C 1.451 178.024 176.519 0.090 0.000 1.215 83 W CA 0.284 57.673 57.345 0.073 0.000 1.236 83 W CB -0.467 29.040 29.460 0.077 0.000 1.130 83 W HN 0.290 nan 8.180 nan 0.000 0.541 84 R N 0.878 120.998 120.500 -0.634 0.000 2.075 84 R HA -0.091 4.248 4.340 -0.001 0.000 0.232 84 R C 2.516 178.714 176.300 -0.171 0.000 1.126 84 R CA 1.359 57.171 56.100 -0.479 0.000 0.963 84 R CB -0.408 29.454 30.300 -0.730 0.000 0.858 84 R HN 0.059 nan 8.270 nan 0.000 0.435 85 K N 0.986 121.297 120.400 -0.148 0.000 2.097 85 K HA -0.099 4.221 4.320 -0.001 0.000 0.205 85 K C 2.062 178.666 176.600 0.006 0.000 1.050 85 K CA 1.016 57.268 56.287 -0.058 0.000 0.938 85 K CB 0.004 32.474 32.500 -0.050 0.000 0.718 85 K HN 0.143 nan 8.250 nan 0.000 0.442 86 L N 0.307 121.553 121.223 0.040 0.000 2.056 86 L HA -0.145 4.195 4.340 -0.001 0.000 0.207 86 L C 2.587 179.511 176.870 0.090 0.000 1.078 86 L CA 1.285 56.175 54.840 0.083 0.000 0.749 86 L CB -0.497 41.633 42.059 0.119 0.000 0.901 86 L HN 0.163 nan 8.230 nan 0.000 0.433 87 A N -0.130 122.756 122.820 0.111 0.000 1.969 87 A HA -0.104 4.215 4.320 -0.001 0.000 0.218 87 A C 2.486 180.121 177.584 0.085 0.000 1.169 87 A CA 1.553 53.661 52.037 0.118 0.000 0.635 87 A CB -0.568 18.540 19.000 0.181 0.000 0.810 87 A HN 0.403 nan 8.150 nan 0.000 0.445 88 A N -0.618 122.238 122.820 0.060 0.000 1.929 88 A HA -0.028 4.291 4.320 -0.001 0.000 0.216 88 A C 2.214 179.838 177.584 0.067 0.000 1.176 88 A CA 1.557 53.626 52.037 0.053 0.000 0.628 88 A CB -0.461 18.550 19.000 0.018 0.000 0.816 88 A HN 0.508 nan 8.150 nan 0.000 0.444 89 M N -0.568 119.066 119.600 0.057 0.000 2.175 89 M HA -0.043 4.436 4.480 -0.001 0.000 0.264 89 M C 2.040 178.358 176.300 0.030 0.000 1.063 89 M CA 1.113 56.450 55.300 0.061 0.000 1.119 89 M CB -0.467 32.174 32.600 0.069 0.000 1.377 89 M HN 0.372 nan 8.290 nan 0.000 0.415 90 L N -0.190 121.049 121.223 0.027 0.000 2.046 90 L HA -0.247 4.092 4.340 -0.001 0.000 0.208 90 L C 2.082 178.961 176.870 0.015 0.000 1.077 90 L CA 1.320 56.160 54.840 0.001 0.000 0.747 90 L CB -0.771 41.306 42.059 0.030 0.000 0.896 90 L HN 0.293 nan 8.230 nan 0.000 0.432 91 D N -0.731 119.707 120.400 0.064 0.000 2.117 91 D HA -0.249 4.391 4.640 -0.001 0.000 0.198 91 D C 2.098 178.480 176.300 0.137 0.000 0.982 91 D CA 1.284 55.350 54.000 0.110 0.000 0.828 91 D CB 0.093 40.980 40.800 0.146 0.000 0.967 91 D HN 0.355 nan 8.370 nan 0.000 0.464 92 H N -0.432 118.654 119.070 0.026 0.000 2.387 92 H HA 0.071 4.627 4.556 -0.001 0.000 0.299 92 H C 1.745 177.061 175.328 -0.021 0.000 1.090 92 H CA 2.128 58.178 56.048 0.003 0.000 1.332 92 H CB -0.217 29.538 29.762 -0.012 0.000 1.386 92 H HN 0.121 nan 8.280 nan 0.000 0.516 93 A N -0.288 122.430 122.820 -0.169 0.000 1.872 93 A HA 0.003 4.323 4.320 -0.001 0.000 0.214 93 A C 1.023 178.510 177.584 -0.161 0.000 1.187 93 A CA 1.511 53.394 52.037 -0.257 0.000 0.614 93 A CB 0.092 18.890 19.000 -0.336 0.000 0.826 93 A HN 0.468 nan 8.150 nan 0.000 0.442 94 E N -2.326 117.827 120.200 -0.079 0.000 3.544 94 E HA 0.277 4.627 4.350 -0.001 0.000 0.264 94 E C 0.139 176.747 176.600 0.012 0.000 1.225 94 E CA -0.170 56.212 56.400 -0.031 0.000 1.045 94 E CB 0.004 29.683 29.700 -0.034 0.000 1.338 94 E HN 0.563 nan 8.360 nan 0.000 0.395 95 H N 1.161 120.206 119.070 -0.042 0.000 2.387 95 H HA -0.132 4.424 4.556 -0.001 0.000 0.299 95 H C 1.001 176.328 175.328 -0.001 0.000 1.099 95 H CA 2.450 58.490 56.048 -0.013 0.000 1.315 95 H CB 0.645 30.400 29.762 -0.011 0.000 1.380 95 H HN 0.259 nan 8.280 nan 0.000 0.513 96 E N 0.092 120.335 120.200 0.072 0.000 2.472 96 E HA 0.045 4.395 4.350 -0.001 0.000 0.200 96 E C 0.649 177.238 176.600 -0.020 0.000 1.046 96 E CA 0.757 57.179 56.400 0.037 0.000 0.871 96 E CB 0.200 29.935 29.700 0.058 0.000 0.806 96 E HN 0.484 nan 8.360 nan 0.000 0.533 97 A N 0.756 123.553 122.820 -0.039 0.000 3.175 97 A HA 0.629 4.948 4.320 -0.001 0.000 0.289 97 A C 1.413 178.961 177.584 -0.060 0.000 1.429 97 A CA 0.213 52.230 52.037 -0.035 0.000 1.155 97 A CB -0.306 18.682 19.000 -0.019 0.000 1.169 97 A HN 0.213 nan 8.150 nan 0.000 0.574 98 A N 0.775 123.547 122.820 -0.079 0.000 1.930 98 A HA 0.168 4.487 4.320 -0.001 0.000 0.217 98 A C 2.304 179.861 177.584 -0.045 0.000 1.175 98 A CA 1.851 53.836 52.037 -0.087 0.000 0.627 98 A CB -0.418 18.526 19.000 -0.092 0.000 0.815 98 A HN 1.210 nan 8.150 nan 0.000 0.443 99 A N -0.174 122.631 122.820 -0.025 0.000 1.897 99 A HA 0.261 4.580 4.320 -0.001 0.000 0.215 99 A C 2.485 180.058 177.584 -0.019 0.000 1.181 99 A CA 1.784 53.813 52.037 -0.014 0.000 0.620 99 A CB -0.949 18.055 19.000 0.006 0.000 0.821 99 A HN 0.932 nan 8.150 nan 0.000 0.443 100 A N 0.232 123.043 122.820 -0.015 0.000 1.845 100 A HA -0.179 4.141 4.320 -0.001 0.000 0.215 100 A C 2.232 179.807 177.584 -0.014 0.000 1.195 100 A CA 1.581 53.611 52.037 -0.011 0.000 0.616 100 A CB -0.538 18.459 19.000 -0.006 0.000 0.832 100 A HN 0.528 nan 8.150 nan 0.000 0.443 101 R N -1.058 119.431 120.500 -0.018 0.000 2.120 101 R HA -0.140 4.200 4.340 -0.001 0.000 0.234 101 R C 2.330 178.622 176.300 -0.013 0.000 1.123 101 R CA 1.211 57.305 56.100 -0.009 0.000 0.975 101 R CB -0.967 29.326 30.300 -0.012 0.000 0.866 101 R HN 0.721 nan 8.270 nan 0.000 0.446 102 C N 0.200 119.480 119.300 -0.033 0.000 2.436 102 C HA -0.025 4.435 4.460 -0.001 0.000 0.277 102 C C 2.819 177.743 174.990 -0.109 0.000 1.241 102 C CA 1.280 60.259 59.018 -0.064 0.000 1.721 102 C CB -1.262 26.436 27.740 -0.069 0.000 2.043 102 C HN 0.625 nan 8.230 nan 0.000 0.472 103 G N 0.303 109.051 108.800 -0.086 0.000 2.422 103 G HA2 -0.126 3.833 3.960 -0.001 0.000 0.218 103 G HA3 -0.126 3.833 3.960 -0.001 0.000 0.218 103 G C 1.657 176.521 174.900 -0.060 0.000 1.146 103 G CA 1.034 46.080 45.100 -0.089 0.000 0.769 103 G HN 0.607 nan 8.290 nan 0.000 0.547 104 L N -0.235 120.973 121.223 -0.026 0.000 2.093 104 L HA -0.007 4.333 4.340 -0.001 0.000 0.208 104 L C 2.872 179.751 176.870 0.016 0.000 1.085 104 L CA 1.091 55.934 54.840 0.005 0.000 0.755 104 L CB -0.282 41.791 42.059 0.024 0.000 0.904 104 L HN 0.267 nan 8.230 nan 0.000 0.435 105 E N -0.396 119.811 120.200 0.010 0.000 2.072 105 E HA -0.207 4.143 4.350 -0.001 0.000 0.191 105 E C 2.339 178.936 176.600 -0.005 0.000 0.985 105 E CA 1.088 57.521 56.400 0.054 0.000 0.801 105 E CB -0.034 29.716 29.700 0.084 0.000 0.750 105 E HN 0.427 nan 8.360 nan 0.000 0.452 106 M N 0.141 119.635 119.600 -0.178 0.000 2.159 106 M HA -0.161 4.319 4.480 -0.001 0.000 0.263 106 M C 2.387 178.656 176.300 -0.052 0.000 1.063 106 M CA 1.196 56.272 55.300 -0.374 0.000 1.110 106 M CB -0.156 32.071 32.600 -0.621 0.000 1.374 106 M HN 0.146 nan 8.290 nan 0.000 0.411 107 A N 0.408 123.211 122.820 -0.028 0.000 1.841 107 A HA -0.157 4.162 4.320 -0.001 0.000 0.214 107 A C 2.058 179.650 177.584 0.013 0.000 1.195 107 A CA 1.495 53.543 52.037 0.018 0.000 0.611 107 A CB -0.607 18.403 19.000 0.016 0.000 0.835 107 A HN 0.441 nan 8.150 nan 0.000 0.443 108 M N -0.683 118.928 119.600 0.018 0.000 2.213 108 M HA -0.072 4.408 4.480 -0.001 0.000 0.263 108 M C 2.062 178.319 176.300 -0.072 0.000 1.062 108 M CA 1.139 56.447 55.300 0.013 0.000 1.105 108 M CB -0.398 32.252 32.600 0.084 0.000 1.385 108 M HN 0.363 nan 8.290 nan 0.000 0.417 109 L N -0.393 120.774 121.223 -0.094 0.000 2.131 109 L HA -0.177 4.162 4.340 -0.001 0.000 0.206 109 L C 2.029 178.730 176.870 -0.282 0.000 1.087 109 L CA 1.096 55.760 54.840 -0.293 0.000 0.767 109 L CB -0.446 41.523 42.059 -0.149 0.000 0.917 109 L HN 0.257 nan 8.230 nan 0.000 0.441 110 D N -0.096 120.251 120.400 -0.087 0.000 2.178 110 D HA -0.141 4.499 4.640 -0.001 0.000 0.202 110 D C 2.112 178.297 176.300 -0.191 0.000 0.974 110 D CA 1.141 55.038 54.000 -0.172 0.000 0.841 110 D CB 0.273 40.984 40.800 -0.148 0.000 0.953 110 D HN 0.244 nan 8.370 nan 0.000 0.478 111 A N 0.063 122.808 122.820 -0.125 0.000 1.877 111 A HA -0.100 4.219 4.320 -0.001 0.000 0.216 111 A C 2.194 179.712 177.584 -0.109 0.000 1.186 111 A CA 1.259 53.238 52.037 -0.096 0.000 0.620 111 A CB -0.972 17.995 19.000 -0.055 0.000 0.822 111 A HN 0.367 nan 8.150 nan 0.000 0.443 112 L N 0.203 121.332 121.223 -0.157 0.000 1.994 112 L HA -0.157 4.182 4.340 -0.001 0.000 0.208 112 L C 2.899 179.736 176.870 -0.055 0.000 1.071 112 L CA 2.785 57.550 54.840 -0.126 0.000 0.745 112 L CB -0.611 41.281 42.059 -0.279 0.000 0.892 112 L HN 0.597 nan 8.230 nan 0.000 0.431 113 T N -3.739 110.660 114.554 -0.260 0.000 2.951 113 T HA -0.122 4.227 4.350 -0.001 0.000 0.268 113 T C 2.030 176.657 174.700 -0.121 0.000 1.073 113 T CA 0.781 62.742 62.100 -0.233 0.000 1.134 113 T CB -0.388 68.205 68.868 -0.458 0.000 0.884 113 T HN 0.313 nan 8.240 nan 0.000 0.479 114 R N -0.235 120.172 120.500 -0.156 0.000 2.119 114 R HA 0.028 4.367 4.340 -0.001 0.000 0.222 114 R C 2.444 178.625 176.300 -0.198 0.000 1.088 114 R CA 1.263 57.249 56.100 -0.190 0.000 0.984 114 R CB -0.462 29.718 30.300 -0.199 0.000 0.884 114 R HN 0.632 nan 8.270 nan 0.000 0.447 115 H N -0.290 118.652 119.070 -0.215 0.000 2.290 115 H HA -0.181 4.374 4.556 -0.001 0.000 0.298 115 H C 0.969 176.193 175.328 -0.173 0.000 1.087 115 H CA 1.956 57.850 56.048 -0.257 0.000 1.291 115 H CB -0.085 29.450 29.762 -0.379 0.000 1.369 115 H HN 0.162 nan 8.280 nan 0.000 0.492 116 Y N -0.279 120.135 120.300 0.190 0.000 2.502 116 Y HA 0.070 4.620 4.550 -0.000 0.000 0.295 116 Y C 0.349 176.365 175.900 0.192 0.000 1.193 116 Y CA 0.816 59.030 58.100 0.190 0.000 1.295 116 Y CB -0.254 38.289 38.460 0.139 0.000 1.059 116 Y HN 0.443 nan 8.280 nan 0.000 0.514 117 H N -2.026 117.062 119.070 0.030 0.000 2.958 117 H HA -0.230 4.325 4.556 -0.001 0.000 0.274 117 H C 0.300 175.618 175.328 -0.016 0.000 1.184 117 H CA 0.764 56.803 56.048 -0.014 0.000 1.143 117 H CB -1.637 28.112 29.762 -0.021 0.000 1.297 117 H HN 0.365 nan 8.280 nan 0.000 0.356 118 M N 1.254 120.883 119.600 0.048 0.000 2.238 118 M HA 0.364 4.844 4.480 -0.001 0.000 0.350 118 M C -2.479 173.742 176.300 -0.131 0.000 1.138 118 M CA -1.694 53.592 55.300 -0.024 0.000 1.040 118 M CB 1.422 34.021 32.600 -0.002 0.000 1.639 118 M HN -0.217 nan 8.290 nan 0.000 0.451 119 P HA 0.064 nan 4.420 nan 0.000 0.271 119 P C 0.332 177.423 177.300 -0.348 0.000 1.218 119 P CA -0.070 62.838 63.100 -0.321 0.000 0.780 119 P CB 0.620 31.949 31.700 -0.619 0.000 0.901 120 L N 2.099 123.153 121.223 -0.282 0.000 2.131 120 L HA -0.227 4.113 4.340 -0.001 0.000 0.210 120 L C 2.314 179.106 176.870 -0.131 0.000 1.092 120 L CA 1.675 56.340 54.840 -0.291 0.000 0.759 120 L CB -0.807 41.083 42.059 -0.281 0.000 0.903 120 L HN 0.630 nan 8.230 nan 0.000 0.435 121 H N -2.769 116.315 119.070 0.024 0.000 2.457 121 H HA -0.071 4.485 4.556 -0.001 0.000 0.294 121 H C 1.927 177.297 175.328 0.071 0.000 1.064 121 H CA 1.177 57.279 56.048 0.090 0.000 1.330 121 H CB -0.748 29.048 29.762 0.057 0.000 1.395 121 H HN 0.051 nan 8.280 nan 0.000 0.541 122 V N 0.491 120.246 119.914 -0.264 0.000 2.323 122 V HA -0.172 3.947 4.120 -0.001 0.000 0.244 122 V C 2.269 178.331 176.094 -0.053 0.000 1.041 122 V CA 1.684 63.918 62.300 -0.109 0.000 1.025 122 V CB -0.914 30.813 31.823 -0.159 0.000 0.656 122 V HN 0.415 nan 8.190 nan 0.000 0.451 123 F N 0.613 120.398 119.950 -0.276 0.000 2.115 123 F HA -0.271 4.256 4.527 -0.001 0.000 0.300 123 F C 1.961 177.601 175.800 -0.267 0.000 1.092 123 F CA 2.002 59.791 58.000 -0.351 0.000 1.245 123 F CB -0.262 38.373 39.000 -0.609 0.000 0.995 123 F HN 0.143 nan 8.300 nan 0.000 0.481 124 F N -0.695 119.213 119.950 -0.070 0.000 2.780 124 F HA 0.182 4.708 4.527 -0.001 0.000 0.299 124 F C 1.927 177.682 175.800 -0.075 0.000 1.146 124 F CA 0.484 58.417 58.000 -0.112 0.000 1.428 124 F CB 0.394 39.382 39.000 -0.019 0.000 1.115 124 F HN 0.218 nan 8.300 nan 0.000 0.583 125 G N -1.332 107.523 108.800 0.092 0.000 3.302 125 G HA2 0.013 3.973 3.960 -0.001 0.000 0.216 125 G HA3 0.013 3.973 3.960 -0.001 0.000 0.216 125 G C 0.957 175.897 174.900 0.067 0.000 1.008 125 G CA -0.287 44.853 45.100 0.066 0.000 0.852 125 G HN 0.572 nan 8.290 nan 0.000 0.485 126 G N -0.274 108.589 108.800 0.103 0.000 2.179 126 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.257 126 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.257 126 G C 1.281 176.237 174.900 0.094 0.000 1.010 126 G CA 1.093 46.263 45.100 0.117 0.000 0.736 126 G HN 1.406 nan 8.290 nan 0.000 0.513 127 V N -0.000 119.964 119.914 0.083 0.000 2.427 127 V HA 0.123 4.242 4.120 -0.001 0.000 0.248 127 V C 1.601 177.721 176.094 0.042 0.000 1.051 127 V CA 2.337 64.671 62.300 0.057 0.000 1.048 127 V CB -0.312 31.547 31.823 0.060 0.000 0.666 127 V HN 1.293 nan 8.190 nan 0.000 0.456 128 S N -0.707 115.016 115.700 0.038 0.000 2.625 128 S HA 0.554 5.024 4.470 -0.001 0.000 0.271 128 S C -0.512 174.053 174.600 -0.058 0.000 1.161 128 S CA -0.868 57.329 58.200 -0.005 0.000 0.820 128 S CB 2.020 65.207 63.200 -0.021 0.000 1.137 128 S HN 0.417 nan 8.310 nan 0.000 0.470 129 K N -0.237 120.095 120.400 -0.113 0.000 2.826 129 K HA 0.394 4.713 4.320 -0.001 0.000 0.206 129 K C -0.456 176.048 176.600 -0.159 0.000 1.116 129 K CA -0.423 55.721 56.287 -0.239 0.000 1.045 129 K CB 0.502 32.790 32.500 -0.354 0.000 0.758 129 K HN 0.620 nan 8.250 nan 0.000 0.465 130 Q N 1.440 121.170 119.800 -0.117 0.000 2.284 130 Q HA 0.476 4.815 4.340 -0.001 0.000 0.269 130 Q C -1.779 174.158 176.000 -0.106 0.000 1.026 130 Q CA -0.699 55.044 55.803 -0.101 0.000 0.831 130 Q CB 1.734 30.430 28.738 -0.070 0.000 1.322 130 Q HN 0.337 nan 8.270 nan 0.000 0.419 131 L N 1.777 122.920 121.223 -0.133 0.000 2.327 131 L HA 0.597 4.937 4.340 -0.001 0.000 0.258 131 L C -1.003 175.790 176.870 -0.129 0.000 1.024 131 L CA -0.961 53.797 54.840 -0.136 0.000 0.825 131 L CB 2.445 44.393 42.059 -0.186 0.000 1.386 131 L HN 0.580 nan 8.230 nan 0.000 0.417 132 E N 0.693 120.832 120.200 -0.101 0.000 2.186 132 E HA 0.303 4.653 4.350 -0.001 0.000 0.255 132 E C -0.842 175.717 176.600 -0.069 0.000 0.881 132 E CA -0.154 56.197 56.400 -0.081 0.000 0.752 132 E CB 1.588 31.256 29.700 -0.054 0.000 1.176 132 E HN 0.445 nan 8.360 nan 0.000 0.421 133 T N 2.779 117.280 114.554 -0.088 0.000 2.918 133 T HA 0.335 4.685 4.350 -0.001 0.000 0.283 133 T C -0.330 174.360 174.700 -0.016 0.000 1.001 133 T CA -0.664 61.397 62.100 -0.065 0.000 1.041 133 T CB 0.481 69.276 68.868 -0.120 0.000 1.028 133 T HN 0.570 nan 8.240 nan 0.000 0.511 134 D N 1.964 122.375 120.400 0.019 0.000 2.432 134 D HA 0.454 5.094 4.640 -0.001 0.000 0.258 134 D C -0.419 175.905 176.300 0.040 0.000 1.146 134 D CA -0.625 53.401 54.000 0.044 0.000 1.015 134 D CB 0.548 41.396 40.800 0.079 0.000 1.107 134 D HN 0.509 nan 8.370 nan 0.000 0.529 135 M N -0.250 119.389 119.600 0.065 0.000 2.395 135 M HA 0.349 4.828 4.480 -0.001 0.000 0.307 135 M C -1.209 175.192 176.300 0.168 0.000 1.091 135 M CA -0.446 54.912 55.300 0.098 0.000 0.919 135 M CB 2.127 34.767 32.600 0.068 0.000 1.662 135 M HN 0.379 nan 8.290 nan 0.000 0.440 136 T N 4.970 119.691 114.554 0.278 0.000 2.817 136 T HA 0.410 4.760 4.350 -0.001 0.000 0.293 136 T C 0.140 174.963 174.700 0.206 0.000 0.964 136 T CA -0.323 61.913 62.100 0.227 0.000 1.085 136 T CB 0.306 69.303 68.868 0.215 0.000 0.921 136 T HN 0.516 nan 8.240 nan 0.000 0.502 137 I N 3.033 123.667 120.570 0.107 0.000 2.452 137 I HA 0.079 4.249 4.170 -0.001 0.000 0.287 137 I C 1.066 177.180 176.117 -0.004 0.000 1.079 137 I CA 0.128 61.470 61.300 0.070 0.000 1.387 137 I CB 0.908 38.945 38.000 0.062 0.000 1.404 137 I HN 0.593 nan 8.210 nan 0.000 0.522 138 T N 6.596 121.123 114.554 -0.044 0.000 3.400 138 T HA 0.632 4.981 4.350 -0.001 0.000 0.362 138 T C -0.193 174.474 174.700 -0.054 0.000 1.823 138 T CA -0.426 61.600 62.100 -0.123 0.000 1.374 138 T CB -0.325 68.357 68.868 -0.310 0.000 1.130 138 T HN 0.669 nan 8.240 nan 0.000 0.744 139 A N 1.546 124.352 122.820 -0.022 0.000 2.387 139 A HA 0.963 5.282 4.320 -0.001 0.000 0.298 139 A C 0.910 178.484 177.584 -0.017 0.000 1.165 139 A CA -0.435 51.604 52.037 0.003 0.000 0.814 139 A CB 1.090 20.128 19.000 0.064 0.000 1.357 139 A HN 0.671 nan 8.150 nan 0.000 0.443 140 G N -0.421 108.357 108.800 -0.038 0.000 2.756 140 G HA2 0.355 4.315 3.960 -0.001 0.000 0.203 140 G HA3 0.355 4.315 3.960 -0.001 0.000 0.203 140 G C 0.200 175.166 174.900 0.109 0.000 2.015 140 G CA 0.694 45.787 45.100 -0.012 0.000 0.835 140 G HN 0.902 nan 8.290 nan 0.000 0.648 141 D N 0.240 120.748 120.400 0.180 0.000 2.440 141 D HA 0.032 4.671 4.640 -0.001 0.000 0.269 141 D C 1.188 177.592 176.300 0.174 0.000 1.249 141 D CA 0.018 54.169 54.000 0.250 0.000 1.055 141 D CB 0.485 41.451 40.800 0.277 0.000 1.104 141 D HN 0.442 nan 8.370 nan 0.000 0.561 142 E N -0.317 119.958 120.200 0.126 0.000 2.338 142 E HA -0.085 4.265 4.350 -0.001 0.000 0.197 142 E C 2.028 178.660 176.600 0.053 0.000 1.007 142 E CA 0.502 56.936 56.400 0.057 0.000 0.849 142 E CB -0.413 29.309 29.700 0.035 0.000 0.774 142 E HN 0.289 nan 8.360 nan 0.000 0.506 143 V N 1.318 121.268 119.914 0.060 0.000 2.323 143 V HA -0.200 3.919 4.120 -0.001 0.000 0.244 143 V C 1.873 177.905 176.094 -0.103 0.000 1.041 143 V CA 2.033 64.302 62.300 -0.052 0.000 1.025 143 V CB -0.760 30.983 31.823 -0.134 0.000 0.656 143 V HN 0.282 nan 8.190 nan 0.000 0.451 144 H N 0.206 119.292 119.070 0.028 0.000 2.462 144 H HA 0.157 4.712 4.556 -0.001 0.000 0.292 144 H C 2.194 177.537 175.328 0.024 0.000 1.049 144 H CA 1.242 57.306 56.048 0.026 0.000 1.334 144 H CB -0.285 29.494 29.762 0.027 0.000 1.404 144 H HN 0.429 nan 8.280 nan 0.000 0.544 145 A N 0.976 123.874 122.820 0.130 0.000 1.872 145 A HA -0.032 4.288 4.320 -0.001 0.000 0.214 145 A C 2.512 180.128 177.584 0.053 0.000 1.187 145 A CA 1.327 53.410 52.037 0.076 0.000 0.614 145 A CB -1.042 17.985 19.000 0.045 0.000 0.826 145 A HN 0.442 nan 8.150 nan 0.000 0.442 146 A N -0.022 122.819 122.820 0.035 0.000 1.908 146 A HA 0.099 4.418 4.320 -0.001 0.000 0.218 146 A C 2.476 180.073 177.584 0.021 0.000 1.181 146 A CA 2.247 54.296 52.037 0.020 0.000 0.627 146 A CB -0.972 18.030 19.000 0.003 0.000 0.818 146 A HN 1.061 nan 8.150 nan 0.000 0.445 147 A N -0.757 122.074 122.820 0.018 0.000 1.930 147 A HA -0.015 4.304 4.320 -0.001 0.000 0.217 147 A C 2.423 180.036 177.584 0.047 0.000 1.175 147 A CA 1.915 53.965 52.037 0.021 0.000 0.627 147 A CB -0.745 18.258 19.000 0.005 0.000 0.815 147 A HN 0.455 nan 8.150 nan 0.000 0.443 148 S N 0.046 115.785 115.700 0.066 0.000 2.368 148 S HA -0.031 4.439 4.470 -0.001 0.000 0.225 148 S C 2.299 176.943 174.600 0.073 0.000 1.030 148 S CA 1.140 59.388 58.200 0.081 0.000 0.999 148 S CB -0.441 62.813 63.200 0.090 0.000 0.844 148 S HN 0.786 nan 8.310 nan 0.000 0.459 149 A N 1.892 124.748 122.820 0.061 0.000 1.933 149 A HA -0.094 4.226 4.320 -0.001 0.000 0.218 149 A C 2.093 179.704 177.584 0.045 0.000 1.175 149 A CA 1.188 53.258 52.037 0.056 0.000 0.628 149 A CB -0.327 18.704 19.000 0.052 0.000 0.814 149 A HN 0.226 nan 8.150 nan 0.000 0.444 150 K N -0.208 120.213 120.400 0.036 0.000 2.057 150 K HA -0.071 4.248 4.320 -0.001 0.000 0.207 150 K C 2.291 178.910 176.600 0.031 0.000 1.049 150 K CA 1.320 57.622 56.287 0.027 0.000 0.931 150 K CB -0.569 31.942 32.500 0.018 0.000 0.714 150 K HN 0.452 nan 8.250 nan 0.000 0.440 151 A N 1.245 124.089 122.820 0.041 0.000 1.898 151 A HA -0.102 4.217 4.320 -0.001 0.000 0.216 151 A C 2.253 179.863 177.584 0.044 0.000 1.181 151 A CA 1.080 53.143 52.037 0.044 0.000 0.620 151 A CB -0.504 18.530 19.000 0.057 0.000 0.819 151 A HN 0.186 nan 8.150 nan 0.000 0.442 152 I N -0.927 119.675 120.570 0.053 0.000 2.208 152 I HA -0.254 3.916 4.170 -0.001 0.000 0.245 152 I C 2.246 178.385 176.117 0.036 0.000 1.097 152 I CA 1.070 62.400 61.300 0.050 0.000 1.363 152 I CB -0.212 37.828 38.000 0.066 0.000 1.051 152 I HN 0.236 nan 8.210 nan 0.000 0.413 153 L N 0.302 121.546 121.223 0.035 0.000 2.217 153 L HA -0.068 4.271 4.340 -0.001 0.000 0.211 153 L C 2.506 179.388 176.870 0.021 0.000 1.107 153 L CA 1.598 56.455 54.840 0.028 0.000 0.783 153 L CB -0.735 41.341 42.059 0.028 0.000 0.919 153 L HN 0.174 nan 8.230 nan 0.000 0.442 154 A N -1.004 121.829 122.820 0.022 0.000 1.968 154 A HA -0.174 4.146 4.320 -0.001 0.000 0.217 154 A C 2.460 180.054 177.584 0.017 0.000 1.169 154 A CA 1.133 53.181 52.037 0.018 0.000 0.638 154 A CB -0.460 18.551 19.000 0.019 0.000 0.812 154 A HN 0.321 nan 8.150 nan 0.000 0.446 155 R N -1.235 119.276 120.500 0.019 0.000 2.189 155 R HA 0.020 4.359 4.340 -0.001 0.000 0.218 155 R C 1.399 177.704 176.300 0.010 0.000 1.074 155 R CA 1.050 57.159 56.100 0.015 0.000 0.991 155 R CB -0.137 30.172 30.300 0.015 0.000 0.883 155 R HN 0.693 nan 8.270 nan 0.000 0.457 156 G N -0.086 108.720 108.800 0.011 0.000 2.218 156 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.216 156 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.216 156 G C 0.234 175.137 174.900 0.005 0.000 0.994 156 G CA -0.086 45.018 45.100 0.007 0.000 0.637 156 G HN 0.195 nan 8.290 nan 0.000 0.505 157 I N 1.113 121.687 120.570 0.007 0.000 2.598 157 I HA 0.142 4.311 4.170 -0.001 0.000 0.284 157 I C 1.586 177.713 176.117 0.017 0.000 1.140 157 I CA 0.189 61.493 61.300 0.007 0.000 1.420 157 I CB 1.202 39.207 38.000 0.007 0.000 1.387 157 I HN -0.035 nan 8.210 nan 0.000 0.553 158 K N 3.646 124.054 120.400 0.014 0.000 2.137 158 K HA -0.001 4.318 4.320 -0.001 0.000 0.202 158 K C 0.546 177.168 176.600 0.036 0.000 1.052 158 K CA 0.592 56.892 56.287 0.022 0.000 0.961 158 K CB 0.117 32.624 32.500 0.013 0.000 0.741 158 K HN 0.780 nan 8.250 nan 0.000 0.452 159 S N -0.132 115.593 115.700 0.042 0.000 2.568 159 S HA 0.570 5.039 4.470 -0.001 0.000 0.302 159 S C -0.639 174.001 174.600 0.067 0.000 1.082 159 S CA -1.027 57.210 58.200 0.061 0.000 1.009 159 S CB 1.761 65.008 63.200 0.078 0.000 1.069 159 S HN 0.096 nan 8.310 nan 0.000 0.500 160 I N 0.720 121.335 120.570 0.075 0.000 2.608 160 I HA 0.580 4.750 4.170 -0.001 0.000 0.295 160 I C -1.106 175.060 176.117 0.082 0.000 1.049 160 I CA -0.819 60.529 61.300 0.080 0.000 1.063 160 I CB 1.951 39.998 38.000 0.078 0.000 1.248 160 I HN 0.956 nan 8.210 nan 0.000 0.424 161 K N 6.022 126.474 120.400 0.087 0.000 2.159 161 K HA 0.581 4.900 4.320 -0.001 0.000 0.266 161 K C -1.540 175.103 176.600 0.072 0.000 0.975 161 K CA -0.575 55.759 56.287 0.078 0.000 0.865 161 K CB 1.778 34.327 32.500 0.081 0.000 1.087 161 K HN 0.498 nan 8.250 nan 0.000 0.446 162 V N 4.337 124.288 119.914 0.061 0.000 2.525 162 V HA 0.405 4.524 4.120 -0.001 0.000 0.299 162 V C -1.401 174.719 176.094 0.043 0.000 1.034 162 V CA -0.796 61.535 62.300 0.052 0.000 0.863 162 V CB 1.499 33.355 31.823 0.056 0.000 0.999 162 V HN 0.797 nan 8.190 nan 0.000 0.423 163 K N 4.675 125.088 120.400 0.020 0.000 2.248 163 K HA 0.629 4.948 4.320 -0.001 0.000 0.281 163 K C 0.090 176.685 176.600 -0.008 0.000 1.054 163 K CA 0.033 56.322 56.287 0.003 0.000 0.903 163 K CB 0.965 33.457 32.500 -0.014 0.000 1.077 163 K HN 0.978 nan 8.250 nan 0.000 0.474 164 T N 0.656 115.204 114.554 -0.010 0.000 2.945 164 T HA 0.555 4.904 4.350 -0.001 0.000 0.286 164 T C 0.940 175.578 174.700 -0.102 0.000 1.025 164 T CA -0.593 61.478 62.100 -0.048 0.000 1.039 164 T CB 1.857 70.697 68.868 -0.047 0.000 1.068 164 T HN 0.433 nan 8.240 nan 0.000 0.497 165 A N 0.454 123.195 122.820 -0.132 0.000 1.935 165 A HA 0.524 4.844 4.320 -0.001 0.000 0.214 165 A C 2.122 179.483 177.584 -0.372 0.000 1.178 165 A CA 0.998 52.936 52.037 -0.164 0.000 0.640 165 A CB -1.337 17.627 19.000 -0.061 0.000 0.825 165 A HN 2.200 nan 8.150 nan 0.000 0.447 166 G N -1.590 106.817 108.800 -0.656 0.000 2.179 166 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.260 166 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.260 166 G C 1.156 175.623 174.900 -0.723 0.000 0.977 166 G CA 1.196 45.440 45.100 -1.428 0.000 0.641 166 G HN 1.451 nan 8.290 nan 0.000 0.533 167 V N -3.275 116.436 119.914 -0.338 0.000 2.599 167 V HA 0.318 4.437 4.120 -0.001 0.000 0.245 167 V C 0.812 176.860 176.094 -0.076 0.000 1.046 167 V CA 1.535 63.736 62.300 -0.166 0.000 1.065 167 V CB 0.284 32.041 31.823 -0.109 0.000 0.703 167 V HN 0.329 nan 8.190 nan 0.000 0.464 168 D N 1.018 121.403 120.400 -0.026 0.000 2.462 168 D HA 0.305 4.945 4.640 -0.001 0.000 0.245 168 D C 1.036 177.411 176.300 0.124 0.000 1.122 168 D CA 0.147 54.184 54.000 0.061 0.000 0.864 168 D CB 2.458 43.309 40.800 0.085 0.000 1.098 168 D HN 0.148 nan 8.370 nan 0.000 0.541 169 V N 2.608 122.610 119.914 0.147 0.000 2.490 169 V HA -0.101 4.018 4.120 -0.001 0.000 0.250 169 V C 2.113 178.354 176.094 0.244 0.000 1.061 169 V CA 1.685 64.134 62.300 0.248 0.000 1.064 169 V CB -0.918 31.055 31.823 0.250 0.000 0.670 169 V HN 0.498 nan 8.190 nan 0.000 0.461 170 A N -0.749 122.180 122.820 0.182 0.000 1.970 170 A HA -0.049 4.270 4.320 -0.001 0.000 0.216 170 A C 2.151 179.848 177.584 0.188 0.000 1.170 170 A CA 1.401 53.532 52.037 0.157 0.000 0.645 170 A CB -0.756 18.316 19.000 0.120 0.000 0.816 170 A HN 0.652 nan 8.150 nan 0.000 0.447 171 Y N 1.408 121.752 120.300 0.074 0.000 2.242 171 Y HA -0.150 4.399 4.550 -0.001 0.000 0.291 171 Y C 1.589 177.543 175.900 0.090 0.000 1.137 171 Y CA 1.663 59.799 58.100 0.061 0.000 1.181 171 Y CB -0.155 38.323 38.460 0.029 0.000 0.989 171 Y HN 0.341 nan 8.280 nan 0.000 0.527 172 D N 0.138 120.561 120.400 0.038 0.000 2.144 172 D HA -0.164 4.475 4.640 -0.001 0.000 0.200 172 D C 2.296 178.708 176.300 0.186 0.000 0.978 172 D CA 1.385 55.418 54.000 0.054 0.000 0.833 172 D CB -0.377 40.530 40.800 0.178 0.000 0.961 172 D HN 0.396 nan 8.370 nan 0.000 0.470 173 L N 0.584 121.929 121.223 0.203 0.000 2.093 173 L HA -0.080 4.259 4.340 -0.001 0.000 0.208 173 L C 2.460 179.342 176.870 0.020 0.000 1.085 173 L CA 0.925 55.812 54.840 0.079 0.000 0.755 173 L CB -0.281 41.799 42.059 0.034 0.000 0.904 173 L HN -0.029 nan 8.230 nan 0.000 0.435 174 A N -0.095 122.735 122.820 0.017 0.000 1.969 174 A HA -0.175 4.144 4.320 -0.001 0.000 0.218 174 A C 2.363 179.927 177.584 -0.034 0.000 1.169 174 A CA 1.234 53.274 52.037 0.006 0.000 0.635 174 A CB -0.368 18.662 19.000 0.050 0.000 0.810 174 A HN 0.302 nan 8.150 nan 0.000 0.445 175 R N -0.717 119.715 120.500 -0.114 0.000 2.066 175 R HA 0.052 4.391 4.340 -0.001 0.000 0.232 175 R C 2.032 178.317 176.300 -0.025 0.000 1.131 175 R CA 1.252 57.286 56.100 -0.111 0.000 0.955 175 R CB -0.437 29.728 30.300 -0.225 0.000 0.851 175 R HN 0.454 nan 8.270 nan 0.000 0.432 176 L N 0.356 121.581 121.223 0.003 0.000 2.131 176 L HA -0.165 4.174 4.340 -0.001 0.000 0.210 176 L C 2.527 179.417 176.870 0.033 0.000 1.092 176 L CA 1.308 56.161 54.840 0.023 0.000 0.759 176 L CB -0.255 41.809 42.059 0.009 0.000 0.903 176 L HN 0.225 nan 8.230 nan 0.000 0.435 177 R N -0.469 120.043 120.500 0.021 0.000 2.073 177 R HA -0.149 4.191 4.340 -0.001 0.000 0.234 177 R C 2.393 178.719 176.300 0.044 0.000 1.134 177 R CA 1.429 57.554 56.100 0.043 0.000 0.952 177 R CB -0.387 29.926 30.300 0.021 0.000 0.850 177 R HN 0.338 nan 8.270 nan 0.000 0.433 178 A N 1.033 123.868 122.820 0.024 0.000 1.902 178 A HA -0.155 4.164 4.320 -0.001 0.000 0.217 178 A C 2.140 179.738 177.584 0.024 0.000 1.181 178 A CA 1.300 53.346 52.037 0.015 0.000 0.623 178 A CB -0.490 18.516 19.000 0.011 0.000 0.818 178 A HN 0.201 nan 8.150 nan 0.000 0.443 179 I N -1.434 119.161 120.570 0.042 0.000 2.226 179 I HA -0.248 3.921 4.170 -0.001 0.000 0.245 179 I C 2.522 178.696 176.117 0.094 0.000 1.100 179 I CA 1.761 63.096 61.300 0.059 0.000 1.374 179 I CB -0.343 37.692 38.000 0.059 0.000 1.057 179 I HN 0.538 nan 8.210 nan 0.000 0.413 180 H N 0.573 119.640 119.070 -0.004 0.000 2.428 180 H HA -0.156 4.399 4.556 -0.001 0.000 0.296 180 H C 2.144 177.470 175.328 -0.003 0.000 1.062 180 H CA 1.704 57.750 56.048 -0.004 0.000 1.350 180 H CB 0.004 29.757 29.762 -0.016 0.000 1.403 180 H HN 0.299 nan 8.280 nan 0.000 0.533 181 Q N -0.353 119.371 119.800 -0.127 0.000 2.084 181 Q HA -0.072 4.267 4.340 -0.001 0.000 0.202 181 Q C 2.256 178.188 176.000 -0.113 0.000 0.978 181 Q CA 1.581 57.283 55.803 -0.168 0.000 0.844 181 Q CB -0.215 28.474 28.738 -0.082 0.000 0.898 181 Q HN 0.562 nan 8.270 nan 0.000 0.426 182 A N -0.343 122.447 122.820 -0.050 0.000 2.016 182 A HA 0.289 4.608 4.320 -0.001 0.000 0.217 182 A C 1.014 178.589 177.584 -0.015 0.000 1.162 182 A CA 0.999 53.021 52.037 -0.025 0.000 0.662 182 A CB 0.073 19.072 19.000 -0.001 0.000 0.812 182 A HN 0.345 nan 8.150 nan 0.000 0.450 183 A N -0.331 122.486 122.820 -0.005 0.000 2.984 183 A HA 0.587 4.906 4.320 -0.001 0.000 0.320 183 A C -1.935 175.682 177.584 0.056 0.000 1.142 183 A CA -0.831 51.221 52.037 0.025 0.000 0.772 183 A CB 0.635 19.666 19.000 0.052 0.000 1.195 183 A HN 0.123 nan 8.150 nan 0.000 0.459 184 P HA -0.063 nan 4.420 nan 0.000 0.229 184 P C 1.101 178.496 177.300 0.159 0.000 1.160 184 P CA 1.509 64.606 63.100 -0.005 0.000 0.777 184 P CB 0.005 31.623 31.700 -0.137 0.000 0.814 185 T N -3.855 110.754 114.554 0.092 0.000 3.122 185 T HA 0.468 4.817 4.350 -0.001 0.000 0.250 185 T C 0.841 175.586 174.700 0.076 0.000 1.067 185 T CA -0.365 61.781 62.100 0.077 0.000 0.966 185 T CB -0.310 68.584 68.868 0.044 0.000 1.002 185 T HN 0.030 nan 8.240 nan 0.000 0.542 186 A N 3.541 126.418 122.820 0.096 0.000 2.260 186 A HA 0.676 4.995 4.320 -0.001 0.000 0.308 186 A C -2.517 175.112 177.584 0.075 0.000 1.254 186 A CA -1.998 50.087 52.037 0.079 0.000 0.874 186 A CB 0.559 19.606 19.000 0.079 0.000 1.153 186 A HN 0.253 nan 8.150 nan 0.000 0.527 187 P HA 0.312 nan 4.420 nan 0.000 0.271 187 P C -0.954 176.388 177.300 0.070 0.000 1.218 187 P CA 0.100 63.239 63.100 0.064 0.000 0.780 187 P CB 0.740 32.490 31.700 0.084 0.000 0.901 188 L N 3.260 124.515 121.223 0.053 0.000 2.325 188 L HA 0.445 4.785 4.340 -0.001 0.000 0.281 188 L C 0.159 177.060 176.870 0.051 0.000 1.004 188 L CA -0.943 53.924 54.840 0.045 0.000 0.823 188 L CB 1.207 43.270 42.059 0.008 0.000 1.236 188 L HN 0.208 nan 8.230 nan 0.000 0.415 189 I N 3.915 124.522 120.570 0.062 0.000 2.304 189 I HA 0.215 4.384 4.170 -0.001 0.000 0.291 189 I C -0.079 176.072 176.117 0.056 0.000 1.018 189 I CA -0.149 61.176 61.300 0.041 0.000 1.260 189 I CB 1.568 39.587 38.000 0.031 0.000 1.390 189 I HN 0.194 nan 8.210 nan 0.000 0.475 190 V N 5.564 125.530 119.914 0.088 0.000 2.350 190 V HA 0.226 4.345 4.120 -0.001 0.000 0.276 190 V C -0.217 175.986 176.094 0.181 0.000 1.028 190 V CA -0.580 61.814 62.300 0.158 0.000 0.860 190 V CB 1.389 33.336 31.823 0.207 0.000 0.990 190 V HN 0.583 nan 8.190 nan 0.000 0.453 191 D N 4.162 124.613 120.400 0.084 0.000 2.411 191 D HA 0.310 4.949 4.640 -0.001 0.000 0.225 191 D C 1.239 177.545 176.300 0.009 0.000 1.156 191 D CA 0.134 54.138 54.000 0.007 0.000 0.874 191 D CB 1.592 42.380 40.800 -0.021 0.000 1.034 191 D HN 0.553 nan 8.370 nan 0.000 0.502 192 G N 3.395 112.168 108.800 -0.045 0.000 2.471 192 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.219 192 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.219 192 G C 1.004 175.877 174.900 -0.045 0.000 1.125 192 G CA 0.110 45.239 45.100 0.048 0.000 0.775 192 G HN 0.692 nan 8.290 nan 0.000 0.548 193 N N -1.547 117.089 118.700 -0.107 0.000 2.714 193 N HA -0.244 4.496 4.740 -0.001 0.000 0.252 193 N C 0.836 176.273 175.510 -0.121 0.000 1.014 193 N CA 0.757 53.737 53.050 -0.118 0.000 0.735 193 N CB -1.694 36.734 38.487 -0.099 0.000 0.924 193 N HN 0.490 nan 8.380 nan 0.000 0.540 194 C N -3.903 115.318 119.300 -0.132 0.000 4.252 194 C HA -0.185 4.275 4.460 -0.001 0.000 0.285 194 C C 2.079 177.007 174.990 -0.104 0.000 1.466 194 C CA 0.800 59.745 59.018 -0.122 0.000 1.946 194 C CB -2.197 25.471 27.740 -0.121 0.000 1.366 194 C HN 0.867 nan 8.230 nan 0.000 0.783 195 G N -2.360 106.364 108.800 -0.127 0.000 2.683 195 G HA2 0.304 4.263 3.960 -0.001 0.000 0.213 195 G HA3 0.304 4.263 3.960 -0.001 0.000 0.213 195 G C 0.198 174.943 174.900 -0.258 0.000 1.142 195 G CA 0.357 45.330 45.100 -0.211 0.000 0.793 195 G HN 0.616 nan 8.290 nan 0.000 0.534 196 Y N 1.226 121.451 120.300 -0.124 0.000 2.334 196 Y HA 0.424 4.973 4.550 -0.001 0.000 0.325 196 Y C 0.649 176.505 175.900 -0.073 0.000 1.308 196 Y CA -0.923 57.125 58.100 -0.086 0.000 1.389 196 Y CB 0.992 39.401 38.460 -0.084 0.000 1.328 196 Y HN 0.205 nan 8.280 nan 0.000 0.532 197 D N -1.865 118.620 120.400 0.142 0.000 2.627 197 D HA 0.289 4.929 4.640 -0.001 0.000 0.259 197 D C 0.629 176.981 176.300 0.088 0.000 1.164 197 D CA -0.550 53.495 54.000 0.075 0.000 1.087 197 D CB -0.031 40.797 40.800 0.048 0.000 1.217 197 D HN 0.189 nan 8.370 nan 0.000 0.630 198 V N 0.003 119.951 119.914 0.056 0.000 2.307 198 V HA -0.195 3.925 4.120 -0.001 0.000 0.245 198 V C 2.230 178.368 176.094 0.074 0.000 1.045 198 V CA 2.337 64.669 62.300 0.053 0.000 1.024 198 V CB -1.462 30.385 31.823 0.039 0.000 0.651 198 V HN 0.740 nan 8.190 nan 0.000 0.449 199 E N 0.698 120.944 120.200 0.076 0.000 2.152 199 E HA -0.180 4.169 4.350 -0.001 0.000 0.192 199 E C 2.279 178.948 176.600 0.114 0.000 0.983 199 E CA 0.919 57.367 56.400 0.081 0.000 0.818 199 E CB -0.357 29.383 29.700 0.065 0.000 0.758 199 E HN 0.469 nan 8.360 nan 0.000 0.467 200 R N 0.616 121.206 120.500 0.150 0.000 2.092 200 R HA 0.015 4.355 4.340 -0.001 0.000 0.231 200 R C 2.440 178.908 176.300 0.281 0.000 1.119 200 R CA 1.158 57.400 56.100 0.238 0.000 0.970 200 R CB -0.288 30.181 30.300 0.282 0.000 0.864 200 R HN 0.284 nan 8.270 nan 0.000 0.440 201 A N 1.020 123.950 122.820 0.183 0.000 1.898 201 A HA -0.110 4.209 4.320 -0.001 0.000 0.216 201 A C 2.099 179.759 177.584 0.127 0.000 1.181 201 A CA 1.080 53.146 52.037 0.049 0.000 0.620 201 A CB -0.450 18.576 19.000 0.043 0.000 0.819 201 A HN 0.176 nan 8.150 nan 0.000 0.442 202 L N -0.840 120.453 121.223 0.117 0.000 2.141 202 L HA -0.130 4.209 4.340 -0.001 0.000 0.209 202 L C 3.015 179.934 176.870 0.081 0.000 1.094 202 L CA 0.827 55.726 54.840 0.098 0.000 0.763 202 L CB -0.461 41.647 42.059 0.083 0.000 0.908 202 L HN 0.435 nan 8.230 nan 0.000 0.437 203 A N -0.117 122.765 122.820 0.104 0.000 1.898 203 A HA -0.240 4.080 4.320 -0.001 0.000 0.216 203 A C 2.181 179.818 177.584 0.087 0.000 1.181 203 A CA 1.242 53.336 52.037 0.095 0.000 0.620 203 A CB -0.758 18.314 19.000 0.120 0.000 0.819 203 A HN 0.389 nan 8.150 nan 0.000 0.442 204 F N 0.307 120.226 119.950 -0.051 0.000 2.102 204 F HA -0.269 4.257 4.527 -0.001 0.000 0.298 204 F C 2.494 178.128 175.800 -0.276 0.000 1.105 204 F CA 1.992 59.901 58.000 -0.152 0.000 1.239 204 F CB -0.414 38.442 39.000 -0.241 0.000 0.991 204 F HN 0.306 nan 8.300 nan 0.000 0.474 205 C N 0.492 119.643 119.300 -0.248 0.000 2.473 205 C HA -0.091 4.369 4.460 -0.001 0.000 0.279 205 C C 3.156 178.124 174.990 -0.036 0.000 1.250 205 C CA 1.234 60.062 59.018 -0.317 0.000 1.713 205 C CB -1.716 25.988 27.740 -0.060 0.000 2.066 205 C HN 0.646 nan 8.230 nan 0.000 0.474 206 A N 0.328 123.157 122.820 0.016 0.000 1.978 206 A HA -0.011 4.308 4.320 -0.001 0.000 0.220 206 A C 2.267 179.834 177.584 -0.029 0.000 1.170 206 A CA 2.202 54.253 52.037 0.023 0.000 0.636 206 A CB -0.713 18.300 19.000 0.021 0.000 0.810 206 A HN 0.631 nan 8.150 nan 0.000 0.448 207 A N -1.351 121.412 122.820 -0.096 0.000 1.930 207 A HA -0.073 4.247 4.320 -0.001 0.000 0.215 207 A C 2.247 179.722 177.584 -0.181 0.000 1.176 207 A CA 1.410 53.372 52.037 -0.125 0.000 0.632 207 A CB -1.106 17.814 19.000 -0.134 0.000 0.819 207 A HN 0.580 nan 8.150 nan 0.000 0.445 208 C N -0.785 118.327 119.300 -0.314 0.000 2.425 208 C HA -0.039 4.420 4.460 -0.001 0.000 0.277 208 C C 2.664 177.625 174.990 -0.048 0.000 1.280 208 C CA 1.391 60.225 59.018 -0.305 0.000 1.744 208 C CB -0.987 26.392 27.740 -0.602 0.000 1.989 208 C HN 0.662 nan 8.230 nan 0.000 0.491 209 K N 0.865 121.308 120.400 0.072 0.000 2.057 209 K HA -0.043 4.276 4.320 -0.001 0.000 0.206 209 K C 2.125 178.716 176.600 -0.015 0.000 1.050 209 K CA 1.386 57.704 56.287 0.051 0.000 0.935 209 K CB -0.243 32.273 32.500 0.027 0.000 0.715 209 K HN 0.430 nan 8.250 nan 0.000 0.439 210 A N 0.700 123.504 122.820 -0.027 0.000 2.015 210 A HA -0.121 4.199 4.320 -0.001 0.000 0.219 210 A C 1.213 178.781 177.584 -0.026 0.000 1.163 210 A CA 1.377 53.398 52.037 -0.027 0.000 0.646 210 A CB -0.140 18.844 19.000 -0.027 0.000 0.806 210 A HN 0.336 nan 8.150 nan 0.000 0.448 211 E N 0.084 120.261 120.200 -0.038 0.000 2.499 211 E HA 0.147 4.496 4.350 -0.001 0.000 0.199 211 E C 0.313 176.907 176.600 -0.010 0.000 1.016 211 E CA 0.376 56.762 56.400 -0.023 0.000 0.933 211 E CB 0.122 29.802 29.700 -0.034 0.000 1.050 211 E HN 0.682 nan 8.360 nan 0.000 0.462 212 S N 0.059 115.745 115.700 -0.023 0.000 3.614 212 S HA -0.245 4.224 4.470 -0.001 0.000 0.360 212 S C 0.145 174.677 174.600 -0.112 0.000 1.023 212 S CA 0.312 58.494 58.200 -0.029 0.000 1.114 212 S CB -2.550 60.658 63.200 0.014 0.000 0.907 212 S HN 0.342 nan 8.310 nan 0.000 0.470 213 I N 2.208 122.683 120.570 -0.158 0.000 2.396 213 I HA 0.266 4.435 4.170 -0.001 0.000 0.289 213 I C -1.428 174.535 176.117 -0.256 0.000 1.056 213 I CA -2.197 58.913 61.300 -0.317 0.000 1.365 213 I CB 0.856 38.700 38.000 -0.260 0.000 1.407 213 I HN 0.107 nan 8.210 nan 0.000 0.509 214 P HA 0.037 nan 4.420 nan 0.000 0.228 214 P C -0.100 177.168 177.300 -0.053 0.000 1.748 214 P CA -0.215 62.793 63.100 -0.155 0.000 0.909 214 P CB -0.005 31.591 31.700 -0.174 0.000 1.882 215 M N 0.810 120.387 119.600 -0.038 0.000 2.303 215 M HA 0.016 4.496 4.480 -0.001 0.000 0.350 215 M C 0.381 176.779 176.300 0.164 0.000 1.518 215 M CA 0.472 55.749 55.300 -0.039 0.000 1.070 215 M CB 0.844 33.222 32.600 -0.370 0.000 1.910 215 M HN -0.148 nan 8.290 nan 0.000 0.458 216 V N 6.185 126.179 119.914 0.133 0.000 3.431 216 V HA 0.250 4.370 4.120 -0.001 0.000 0.253 216 V C -0.294 175.906 176.094 0.178 0.000 1.184 216 V CA 0.346 62.769 62.300 0.204 0.000 1.104 216 V CB 0.839 32.794 31.823 0.219 0.000 0.799 216 V HN 0.774 nan 8.190 nan 0.000 0.462 217 L N -1.214 120.043 121.223 0.057 0.000 2.549 217 L HA 0.531 4.871 4.340 -0.001 0.000 0.259 217 L C -1.932 174.964 176.870 0.042 0.000 0.934 217 L CA -0.471 54.328 54.840 -0.068 0.000 0.865 217 L CB 2.041 43.818 42.059 -0.469 0.000 1.352 217 L HN -0.051 nan 8.230 nan 0.000 0.410 218 F N 3.994 123.861 119.950 -0.139 0.000 2.325 218 F HA 0.463 4.990 4.527 -0.001 0.000 0.369 218 F C 0.073 175.781 175.800 -0.152 0.000 1.095 218 F CA -0.795 57.116 58.000 -0.149 0.000 1.082 218 F CB 0.950 39.857 39.000 -0.154 0.000 1.289 218 F HN 0.674 nan 8.300 nan 0.000 0.462 219 E N 3.917 124.073 120.200 -0.074 0.000 2.229 219 E HA 0.156 4.505 4.350 -0.001 0.000 0.283 219 E C -0.050 176.363 176.600 -0.313 0.000 1.030 219 E CA -0.476 55.811 56.400 -0.187 0.000 0.836 219 E CB 0.728 30.354 29.700 -0.124 0.000 1.068 219 E HN 0.571 nan 8.360 nan 0.000 0.401 220 Q N 4.247 123.867 119.800 -0.301 0.000 2.402 220 Q HA -0.170 4.170 4.340 -0.001 0.000 0.370 220 Q C -1.899 173.872 176.000 -0.381 0.000 1.334 220 Q CA 0.644 56.263 55.803 -0.307 0.000 1.151 220 Q CB -0.056 28.547 28.738 -0.225 0.000 1.324 220 Q HN 0.503 nan 8.270 nan 0.000 0.332 221 P HA -0.070 nan 4.420 nan 0.000 0.225 221 P C -0.167 177.000 177.300 -0.221 0.000 1.156 221 P CA 0.748 63.483 63.100 -0.609 0.000 0.787 221 P CB 0.420 31.382 31.700 -1.229 0.000 0.802 222 L N -0.491 120.593 121.223 -0.232 0.000 2.303 222 L HA 0.557 4.896 4.340 -0.001 0.000 0.266 222 L C -2.352 174.412 176.870 -0.177 0.000 1.011 222 L CA -2.682 52.066 54.840 -0.153 0.000 0.818 222 L CB 0.943 42.913 42.059 -0.147 0.000 1.326 222 L HN -0.326 nan 8.230 nan 0.000 0.435 223 P HA 0.049 nan 4.420 nan 0.000 0.269 223 P C 0.300 177.450 177.300 -0.251 0.000 1.211 223 P CA -0.048 62.956 63.100 -0.159 0.000 0.781 223 P CB 0.504 32.139 31.700 -0.108 0.000 0.877 224 R N 2.746 123.087 120.500 -0.266 0.000 2.083 224 R HA -0.181 4.159 4.340 -0.001 0.000 0.237 224 R C 1.452 177.376 176.300 -0.627 0.000 1.137 224 R CA 1.674 57.515 56.100 -0.431 0.000 0.951 224 R CB -0.274 29.876 30.300 -0.249 0.000 0.851 224 R HN 0.502 nan 8.270 nan 0.000 0.434 225 E N 0.163 120.209 120.200 -0.257 0.000 2.478 225 E HA -0.113 4.236 4.350 -0.001 0.000 0.198 225 E C -0.125 176.473 176.600 -0.003 0.000 1.046 225 E CA 0.356 56.741 56.400 -0.026 0.000 0.870 225 E CB -0.179 29.580 29.700 0.098 0.000 0.818 225 E HN 0.226 nan 8.360 nan 0.000 0.527 226 D N 0.094 120.395 120.400 -0.164 0.000 2.631 226 D HA 0.043 4.683 4.640 -0.001 0.000 0.227 226 D C -0.044 176.193 176.300 -0.106 0.000 1.146 226 D CA -0.444 53.514 54.000 -0.070 0.000 1.009 226 D CB -0.513 40.244 40.800 -0.071 0.000 1.057 226 D HN 0.101 nan 8.370 nan 0.000 0.509 227 W N 1.759 123.050 121.300 -0.015 0.000 2.418 227 W HA -0.029 4.631 4.660 -0.001 0.000 0.292 227 W C 2.365 178.874 176.519 -0.016 0.000 1.213 227 W CA 0.820 58.154 57.345 -0.019 0.000 1.283 227 W CB -0.237 29.212 29.460 -0.018 0.000 1.119 227 W HN 0.392 nan 8.180 nan 0.000 0.542 228 A N 0.385 123.329 122.820 0.206 0.000 1.872 228 A HA 0.022 4.341 4.320 -0.001 0.000 0.214 228 A C 2.274 179.899 177.584 0.068 0.000 1.187 228 A CA 1.815 53.922 52.037 0.118 0.000 0.614 228 A CB -1.474 17.582 19.000 0.093 0.000 0.826 228 A HN 0.283 nan 8.150 nan 0.000 0.442 229 G N -0.871 107.955 108.800 0.044 0.000 2.418 229 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.217 229 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.217 229 G C 1.540 176.437 174.900 -0.005 0.000 1.158 229 G CA 1.241 46.351 45.100 0.017 0.000 0.771 229 G HN 0.302 nan 8.290 nan 0.000 0.545 230 M N 1.190 120.768 119.600 -0.037 0.000 2.108 230 M HA -0.039 4.440 4.480 -0.001 0.000 0.261 230 M C 3.010 179.302 176.300 -0.012 0.000 1.066 230 M CA 1.470 56.729 55.300 -0.068 0.000 1.107 230 M CB -1.110 31.403 32.600 -0.145 0.000 1.356 230 M HN 0.336 nan 8.290 nan 0.000 0.406 231 A N -0.375 122.464 122.820 0.031 0.000 1.972 231 A HA -0.171 4.148 4.320 -0.001 0.000 0.219 231 A C 2.077 179.684 177.584 0.039 0.000 1.169 231 A CA 1.177 53.243 52.037 0.048 0.000 0.635 231 A CB -0.406 18.638 19.000 0.073 0.000 0.810 231 A HN 0.509 nan 8.150 nan 0.000 0.446 232 Q N -0.367 119.455 119.800 0.036 0.000 2.049 232 Q HA -0.064 4.276 4.340 -0.001 0.000 0.198 232 Q C 2.368 178.395 176.000 0.044 0.000 0.971 232 Q CA 1.523 57.349 55.803 0.038 0.000 0.833 232 Q CB -0.873 27.887 28.738 0.037 0.000 0.896 232 Q HN 0.470 nan 8.270 nan 0.000 0.434 233 V N 1.280 121.220 119.914 0.044 0.000 2.332 233 V HA -0.260 3.860 4.120 -0.001 0.000 0.248 233 V C 2.316 178.461 176.094 0.085 0.000 1.055 233 V CA 2.243 64.585 62.300 0.070 0.000 1.038 233 V CB -1.109 30.748 31.823 0.057 0.000 0.651 233 V HN 0.389 nan 8.190 nan 0.000 0.450 234 T N 0.327 114.916 114.554 0.057 0.000 2.759 234 T HA -0.165 4.185 4.350 -0.001 0.000 0.269 234 T C 1.990 176.721 174.700 0.053 0.000 1.042 234 T CA 1.685 63.820 62.100 0.058 0.000 1.140 234 T CB -0.378 68.511 68.868 0.035 0.000 0.864 234 T HN 0.591 nan 8.240 nan 0.000 0.455 235 A N 0.402 123.248 122.820 0.043 0.000 1.930 235 A HA 0.037 4.356 4.320 -0.001 0.000 0.215 235 A C 2.213 179.816 177.584 0.032 0.000 1.176 235 A CA 1.209 53.265 52.037 0.033 0.000 0.632 235 A CB -0.352 18.665 19.000 0.028 0.000 0.819 235 A HN 0.392 nan 8.150 nan 0.000 0.445 236 Q N -0.548 119.279 119.800 0.044 0.000 2.394 236 Q HA -0.009 4.331 4.340 -0.001 0.000 0.218 236 Q C 2.232 178.265 176.000 0.056 0.000 0.907 236 Q CA 1.195 57.024 55.803 0.042 0.000 0.919 236 Q CB 0.116 28.881 28.738 0.044 0.000 1.051 236 Q HN 0.736 nan 8.270 nan 0.000 0.538 237 S N -1.287 114.474 115.700 0.100 0.000 2.399 237 S HA 0.002 4.472 4.470 -0.001 0.000 0.231 237 S C 1.638 176.325 174.600 0.145 0.000 1.022 237 S CA 1.041 59.345 58.200 0.173 0.000 0.983 237 S CB -0.286 63.075 63.200 0.269 0.000 0.803 237 S HN 0.572 nan 8.310 nan 0.000 0.480 238 G N -0.182 108.635 108.800 0.028 0.000 2.175 238 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.244 238 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.244 238 G C -0.113 174.565 174.900 -0.370 0.000 0.982 238 G CA 0.186 45.174 45.100 -0.186 0.000 0.641 238 G HN 0.523 nan 8.290 nan 0.000 0.527 239 F N 1.036 120.982 119.950 -0.006 0.000 2.522 239 F HA 0.773 5.300 4.527 -0.001 0.000 0.324 239 F C 0.768 176.586 175.800 0.030 0.000 1.077 239 F CA -0.615 57.385 58.000 0.001 0.000 0.944 239 F CB 1.797 40.784 39.000 -0.023 0.000 1.175 239 F HN 0.291 nan 8.300 nan 0.000 0.468 240 A N 1.854 124.800 122.820 0.210 0.000 2.546 240 A HA 0.464 4.783 4.320 -0.001 0.000 0.243 240 A C -0.583 177.070 177.584 0.115 0.000 1.063 240 A CA -0.127 51.989 52.037 0.131 0.000 0.757 240 A CB -0.153 18.920 19.000 0.122 0.000 0.991 240 A HN 0.547 nan 8.150 nan 0.000 0.503 241 V N 2.150 122.101 119.914 0.061 0.000 2.495 241 V HA 0.632 4.751 4.120 -0.001 0.000 0.298 241 V C 0.520 176.578 176.094 -0.060 0.000 1.031 241 V CA -0.154 62.156 62.300 0.017 0.000 0.871 241 V CB 1.445 33.280 31.823 0.021 0.000 0.988 241 V HN 1.206 nan 8.190 nan 0.000 0.432 242 A N 3.677 126.427 122.820 -0.117 0.000 2.312 242 A HA 0.913 5.232 4.320 -0.001 0.000 0.326 242 A C 0.093 177.598 177.584 -0.132 0.000 1.172 242 A CA -0.341 51.617 52.037 -0.132 0.000 0.821 242 A CB 1.231 20.124 19.000 -0.178 0.000 1.166 242 A HN 1.293 nan 8.150 nan 0.000 0.493 243 A N 1.492 124.252 122.820 -0.101 0.000 2.276 243 A HA 0.581 4.900 4.320 -0.001 0.000 0.316 243 A C 0.159 177.688 177.584 -0.092 0.000 1.229 243 A CA -0.226 51.744 52.037 -0.112 0.000 0.851 243 A CB 0.683 19.631 19.000 -0.086 0.000 1.165 243 A HN 0.869 nan 8.150 nan 0.000 0.513 244 D N 1.042 121.373 120.400 -0.116 0.000 3.136 244 D HA 0.038 4.678 4.640 -0.001 0.000 0.254 244 D C 1.325 177.570 176.300 -0.091 0.000 1.563 244 D CA 0.562 54.507 54.000 -0.092 0.000 1.225 244 D CB 0.051 40.785 40.800 -0.110 0.000 1.079 244 D HN 0.445 nan 8.370 nan 0.000 0.314 245 E N 0.029 120.155 120.200 -0.123 0.000 2.204 245 E HA -0.019 4.331 4.350 -0.001 0.000 0.195 245 E C 1.921 178.450 176.600 -0.119 0.000 0.990 245 E CA 0.899 57.231 56.400 -0.114 0.000 0.821 245 E CB -0.074 29.544 29.700 -0.137 0.000 0.750 245 E HN 0.074 nan 8.360 nan 0.000 0.477 246 S N -0.491 115.096 115.700 -0.188 0.000 2.527 246 S HA 0.183 4.652 4.470 -0.001 0.000 0.222 246 S C 0.705 175.286 174.600 -0.033 0.000 0.985 246 S CA 0.454 58.502 58.200 -0.254 0.000 0.921 246 S CB 0.513 63.422 63.200 -0.485 0.000 0.772 246 S HN 0.254 nan 8.310 nan 0.000 0.529 247 A N 1.407 124.219 122.820 -0.013 0.000 2.802 247 A HA 0.593 4.913 4.320 -0.001 0.000 0.344 247 A C 0.656 178.268 177.584 0.047 0.000 1.215 247 A CA -0.595 51.467 52.037 0.042 0.000 0.821 247 A CB 0.373 19.386 19.000 0.022 0.000 1.099 247 A HN 0.035 nan 8.150 nan 0.000 0.479 248 R N 0.366 120.914 120.500 0.079 0.000 2.446 248 R HA 0.198 4.537 4.340 -0.001 0.000 0.254 248 R C 0.422 176.782 176.300 0.100 0.000 0.918 248 R CA 1.003 57.148 56.100 0.075 0.000 1.069 248 R CB 0.226 30.570 30.300 0.074 0.000 1.194 248 R HN 0.766 nan 8.270 nan 0.000 0.534 249 S N -2.132 113.643 115.700 0.125 0.000 2.651 249 S HA 0.629 5.099 4.470 -0.001 0.000 0.279 249 S C 0.650 175.328 174.600 0.131 0.000 1.148 249 S CA -0.207 58.079 58.200 0.144 0.000 0.837 249 S CB 1.842 65.157 63.200 0.192 0.000 1.138 249 S HN -0.042 nan 8.310 nan 0.000 0.478 250 A N 0.303 123.203 122.820 0.133 0.000 2.014 250 A HA 0.006 4.326 4.320 -0.001 0.000 0.218 250 A C 1.905 179.566 177.584 0.129 0.000 1.163 250 A CA 1.952 54.057 52.037 0.113 0.000 0.652 250 A CB -1.450 17.614 19.000 0.105 0.000 0.808 250 A HN 1.043 nan 8.150 nan 0.000 0.449 251 H N 0.365 119.466 119.070 0.052 0.000 2.389 251 H HA -0.075 4.480 4.556 -0.001 0.000 0.299 251 H C 1.363 176.713 175.328 0.038 0.000 1.081 251 H CA 1.769 57.835 56.048 0.030 0.000 1.345 251 H CB -0.034 29.738 29.762 0.017 0.000 1.393 251 H HN 0.395 nan 8.280 nan 0.000 0.520 252 D N -0.429 120.009 120.400 0.064 0.000 2.097 252 D HA -0.140 4.499 4.640 -0.001 0.000 0.195 252 D C 2.426 178.763 176.300 0.062 0.000 0.989 252 D CA 1.470 55.524 54.000 0.089 0.000 0.827 252 D CB -0.478 40.441 40.800 0.199 0.000 0.966 252 D HN 0.268 nan 8.370 nan 0.000 0.456 253 V N 0.947 120.894 119.914 0.056 0.000 2.407 253 V HA -0.207 3.912 4.120 -0.001 0.000 0.248 253 V C 2.637 178.736 176.094 0.007 0.000 1.055 253 V CA 1.079 63.403 62.300 0.040 0.000 1.049 253 V CB -0.517 31.330 31.823 0.040 0.000 0.662 253 V HN 0.179 nan 8.190 nan 0.000 0.455 254 L N -0.369 120.841 121.223 -0.023 0.000 2.012 254 L HA -0.213 4.127 4.340 -0.001 0.000 0.210 254 L C 2.791 179.604 176.870 -0.095 0.000 1.073 254 L CA 2.033 56.842 54.840 -0.052 0.000 0.748 254 L CB -0.526 41.502 42.059 -0.050 0.000 0.891 254 L HN 0.248 nan 8.230 nan 0.000 0.431 255 R N 0.406 120.799 120.500 -0.179 0.000 2.081 255 R HA -0.168 4.172 4.340 -0.001 0.000 0.235 255 R C 2.291 178.572 176.300 -0.031 0.000 1.131 255 R CA 1.485 57.471 56.100 -0.189 0.000 0.960 255 R CB -0.255 29.818 30.300 -0.378 0.000 0.856 255 R HN 0.299 nan 8.270 nan 0.000 0.436 256 I N 0.730 121.335 120.570 0.059 0.000 2.226 256 I HA -0.250 3.920 4.170 -0.001 0.000 0.245 256 I C 2.563 178.709 176.117 0.048 0.000 1.100 256 I CA 1.344 62.708 61.300 0.106 0.000 1.374 256 I CB -0.335 37.728 38.000 0.106 0.000 1.057 256 I HN 0.277 nan 8.210 nan 0.000 0.413 257 A N 0.808 123.639 122.820 0.019 0.000 1.902 257 A HA -0.182 4.137 4.320 -0.001 0.000 0.217 257 A C 2.425 180.010 177.584 0.002 0.000 1.181 257 A CA 1.412 53.454 52.037 0.007 0.000 0.623 257 A CB -0.498 18.502 19.000 -0.001 0.000 0.818 257 A HN 0.306 nan 8.150 nan 0.000 0.443 258 R N -0.517 119.975 120.500 -0.013 0.000 2.075 258 R HA -0.084 4.256 4.340 -0.001 0.000 0.232 258 R C 1.898 178.194 176.300 -0.006 0.000 1.126 258 R CA 1.575 57.664 56.100 -0.019 0.000 0.963 258 R CB -0.247 30.027 30.300 -0.043 0.000 0.858 258 R HN 0.670 nan 8.270 nan 0.000 0.435 259 E N -0.889 119.315 120.200 0.007 0.000 2.276 259 E HA 0.061 4.410 4.350 -0.001 0.000 0.193 259 E C 0.654 177.280 176.600 0.043 0.000 0.983 259 E CA 0.420 56.837 56.400 0.028 0.000 0.861 259 E CB 0.521 30.253 29.700 0.053 0.000 0.817 259 E HN 0.487 nan 8.360 nan 0.000 0.485 260 G N 1.643 110.470 108.800 0.045 0.000 2.171 260 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.238 260 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.238 260 G C 0.796 175.727 174.900 0.053 0.000 1.039 260 G CA 0.522 45.647 45.100 0.041 0.000 0.759 260 G HN 0.226 nan 8.290 nan 0.000 0.501 261 T N -0.382 114.220 114.554 0.080 0.000 2.684 261 T HA 0.281 4.631 4.350 -0.001 0.000 0.267 261 T C 1.412 176.122 174.700 0.017 0.000 1.036 261 T CA 2.403 64.552 62.100 0.082 0.000 1.148 261 T CB 0.023 68.995 68.868 0.173 0.000 0.863 261 T HN 1.807 nan 8.240 nan 0.000 0.436 262 A N 0.218 123.048 122.820 0.016 0.000 2.566 262 A HA 0.648 4.968 4.320 -0.001 0.000 0.292 262 A C 0.953 178.543 177.584 0.009 0.000 1.112 262 A CA -0.054 51.978 52.037 -0.007 0.000 0.707 262 A CB 1.196 20.173 19.000 -0.038 0.000 1.302 262 A HN 0.151 nan 8.150 nan 0.000 0.409 263 S N -0.693 115.014 115.700 0.011 0.000 2.517 263 S HA 0.375 4.845 4.470 -0.001 0.000 0.214 263 S C 0.159 174.777 174.600 0.029 0.000 0.991 263 S CA 0.469 58.685 58.200 0.026 0.000 0.906 263 S CB -0.120 63.106 63.200 0.042 0.000 0.789 263 S HN 0.909 nan 8.310 nan 0.000 0.513 264 V N 2.462 122.380 119.914 0.008 0.000 2.841 264 V HA 0.512 4.632 4.120 -0.001 0.000 0.310 264 V C -1.126 174.960 176.094 -0.014 0.000 1.090 264 V CA -0.945 61.362 62.300 0.012 0.000 0.930 264 V CB 2.000 33.812 31.823 -0.020 0.000 1.014 264 V HN 0.313 nan 8.190 nan 0.000 0.425 265 I N 3.407 123.975 120.570 -0.003 0.000 2.330 265 I HA 0.353 4.522 4.170 -0.001 0.000 0.289 265 I C 0.028 176.159 176.117 0.024 0.000 1.001 265 I CA -0.539 60.759 61.300 -0.003 0.000 1.193 265 I CB 1.332 39.328 38.000 -0.006 0.000 1.345 265 I HN 0.587 nan 8.210 nan 0.000 0.461 266 N N 6.648 125.357 118.700 0.016 0.000 2.401 266 N HA 0.242 4.982 4.740 -0.001 0.000 0.255 266 N C -0.681 174.870 175.510 0.068 0.000 1.110 266 N CA -0.137 52.941 53.050 0.047 0.000 0.949 266 N CB 0.402 38.889 38.487 0.001 0.000 1.110 266 N HN 0.395 nan 8.380 nan 0.000 0.490 267 I N 3.432 124.082 120.570 0.133 0.000 2.371 267 I HA 0.175 4.344 4.170 -0.001 0.000 0.290 267 I C 0.334 176.508 176.117 0.096 0.000 1.028 267 I CA 0.013 61.392 61.300 0.131 0.000 1.345 267 I CB 0.686 38.810 38.000 0.206 0.000 1.407 267 I HN 0.244 nan 8.210 nan 0.000 0.501 268 K N 7.101 127.538 120.400 0.061 0.000 2.616 268 K HA 0.344 4.664 4.320 -0.001 0.000 0.241 268 K C 0.449 177.071 176.600 0.037 0.000 0.961 268 K CA -0.460 55.850 56.287 0.040 0.000 0.942 268 K CB 1.540 34.047 32.500 0.012 0.000 1.153 268 K HN 0.524 nan 8.250 nan 0.000 0.452 269 L N 1.667 122.916 121.223 0.044 0.000 2.191 269 L HA -0.163 4.176 4.340 -0.001 0.000 0.212 269 L C 2.186 179.057 176.870 0.002 0.000 1.103 269 L CA 1.008 55.870 54.840 0.037 0.000 0.769 269 L CB -0.285 41.805 42.059 0.051 0.000 0.908 269 L HN 0.654 nan 8.230 nan 0.000 0.438 270 M N -0.407 119.189 119.600 -0.006 0.000 2.279 270 M HA -0.152 4.328 4.480 -0.001 0.000 0.264 270 M C 1.938 178.233 176.300 -0.009 0.000 1.062 270 M CA 1.708 57.000 55.300 -0.013 0.000 1.099 270 M CB -0.183 32.417 32.600 -0.001 0.000 1.394 270 M HN -0.053 nan 8.290 nan 0.000 0.426 271 K N -1.690 118.708 120.400 -0.003 0.000 2.361 271 K HA 0.294 4.613 4.320 -0.001 0.000 0.194 271 K C 1.323 177.918 176.600 -0.009 0.000 1.032 271 K CA 0.876 57.159 56.287 -0.007 0.000 1.048 271 K CB 0.388 32.883 32.500 -0.009 0.000 0.842 271 K HN 0.349 nan 8.250 nan 0.000 0.526 272 A N 0.404 123.224 122.820 0.001 0.000 2.009 272 A HA 0.470 4.789 4.320 -0.001 0.000 0.197 272 A C 0.703 178.288 177.584 0.001 0.000 1.471 272 A CA 0.825 52.867 52.037 0.008 0.000 0.973 272 A CB 0.639 19.665 19.000 0.044 0.000 1.020 272 A HN 0.248 nan 8.150 nan 0.000 0.476 273 G N -1.874 106.933 108.800 0.013 0.000 2.497 273 G HA2 0.122 4.081 3.960 -0.001 0.000 0.686 273 G HA3 0.122 4.081 3.960 -0.001 0.000 0.686 273 G C 0.360 175.306 174.900 0.077 0.000 1.288 273 G CA -0.339 44.779 45.100 0.031 0.000 0.899 273 G HN 0.699 nan 8.290 nan 0.000 0.608 274 V N 0.936 120.918 119.914 0.113 0.000 2.302 274 V HA 0.127 4.246 4.120 -0.001 0.000 0.243 274 V C 3.267 179.513 176.094 0.253 0.000 1.036 274 V CA 3.165 65.586 62.300 0.202 0.000 1.020 274 V CB -0.981 31.006 31.823 0.273 0.000 0.657 274 V HN 1.714 nan 8.190 nan 0.000 0.453 275 A N -0.119 122.866 122.820 0.276 0.000 1.969 275 A HA -0.223 4.097 4.320 -0.001 0.000 0.218 275 A C 2.137 179.834 177.584 0.189 0.000 1.169 275 A CA 1.984 54.192 52.037 0.284 0.000 0.635 275 A CB -0.422 18.739 19.000 0.268 0.000 0.810 275 A HN 0.555 nan 8.150 nan 0.000 0.445 276 E N 0.066 120.355 120.200 0.149 0.000 2.047 276 E HA -0.031 4.318 4.350 -0.001 0.000 0.191 276 E C 2.034 178.703 176.600 0.115 0.000 0.987 276 E CA 1.483 57.955 56.400 0.120 0.000 0.799 276 E CB -0.811 28.948 29.700 0.098 0.000 0.752 276 E HN 0.380 nan 8.360 nan 0.000 0.449 277 G N 0.837 109.707 108.800 0.116 0.000 2.442 277 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.219 277 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.219 277 G C 1.586 176.552 174.900 0.110 0.000 1.141 277 G CA 1.024 46.190 45.100 0.109 0.000 0.763 277 G HN 0.292 nan 8.290 nan 0.000 0.554 278 L N -0.205 121.096 121.223 0.130 0.000 2.017 278 L HA -0.082 4.258 4.340 -0.001 0.000 0.208 278 L C 3.010 179.944 176.870 0.108 0.000 1.073 278 L CA 1.503 56.419 54.840 0.128 0.000 0.745 278 L CB -0.338 41.842 42.059 0.201 0.000 0.894 278 L HN 0.211 nan 8.230 nan 0.000 0.432 279 K N -0.347 120.117 120.400 0.107 0.000 2.057 279 K HA -0.137 4.182 4.320 -0.001 0.000 0.206 279 K C 2.141 178.783 176.600 0.069 0.000 1.050 279 K CA 1.301 57.638 56.287 0.084 0.000 0.935 279 K CB -0.172 32.379 32.500 0.085 0.000 0.715 279 K HN 0.214 nan 8.250 nan 0.000 0.439 280 M N 0.631 120.276 119.600 0.075 0.000 2.106 280 M HA -0.213 4.267 4.480 -0.001 0.000 0.259 280 M C 2.179 178.501 176.300 0.037 0.000 1.068 280 M CA 1.679 57.015 55.300 0.061 0.000 1.100 280 M CB -0.443 32.200 32.600 0.072 0.000 1.351 280 M HN 0.125 nan 8.290 nan 0.000 0.404 281 I N -0.066 120.532 120.570 0.045 0.000 2.163 281 I HA -0.291 3.878 4.170 -0.001 0.000 0.243 281 I C 2.685 178.800 176.117 -0.004 0.000 1.085 281 I CA 1.381 62.689 61.300 0.012 0.000 1.347 281 I CB -0.566 37.476 38.000 0.071 0.000 1.044 281 I HN 0.278 nan 8.210 nan 0.000 0.408 282 A N 0.860 123.695 122.820 0.025 0.000 1.902 282 A HA -0.166 4.153 4.320 -0.001 0.000 0.217 282 A C 2.270 179.859 177.584 0.008 0.000 1.181 282 A CA 1.549 53.598 52.037 0.020 0.000 0.623 282 A CB -0.819 18.203 19.000 0.035 0.000 0.818 282 A HN 0.394 nan 8.150 nan 0.000 0.443 283 I N -0.260 120.318 120.570 0.014 0.000 2.252 283 I HA -0.244 3.926 4.170 -0.001 0.000 0.245 283 I C 2.960 179.074 176.117 -0.005 0.000 1.102 283 I CA 1.012 62.318 61.300 0.010 0.000 1.385 283 I CB -0.351 37.661 38.000 0.020 0.000 1.064 283 I HN 0.336 nan 8.210 nan 0.000 0.414 284 A N 0.288 123.099 122.820 -0.016 0.000 1.877 284 A HA -0.260 4.060 4.320 -0.001 0.000 0.216 284 A C 2.293 179.850 177.584 -0.045 0.000 1.186 284 A CA 1.644 53.661 52.037 -0.034 0.000 0.620 284 A CB -0.678 18.287 19.000 -0.060 0.000 0.822 284 A HN 0.468 nan 8.150 nan 0.000 0.443 285 Q N -0.773 118.994 119.800 -0.055 0.000 2.084 285 Q HA -0.111 4.228 4.340 -0.001 0.000 0.202 285 Q C 2.426 178.409 176.000 -0.029 0.000 0.978 285 Q CA 1.307 57.078 55.803 -0.053 0.000 0.844 285 Q CB -0.384 28.323 28.738 -0.052 0.000 0.898 285 Q HN 0.691 nan 8.270 nan 0.000 0.426 286 A N 1.031 123.841 122.820 -0.017 0.000 1.933 286 A HA -0.063 4.256 4.320 -0.001 0.000 0.218 286 A C 2.117 179.696 177.584 -0.009 0.000 1.175 286 A CA 1.589 53.621 52.037 -0.009 0.000 0.628 286 A CB -0.450 18.549 19.000 -0.002 0.000 0.814 286 A HN 0.367 nan 8.150 nan 0.000 0.444 287 A N -1.923 120.891 122.820 -0.010 0.000 2.275 287 A HA 0.434 4.754 4.320 -0.001 0.000 0.212 287 A C 1.695 179.274 177.584 -0.008 0.000 1.201 287 A CA 1.082 53.115 52.037 -0.007 0.000 0.843 287 A CB -0.889 18.108 19.000 -0.004 0.000 0.873 287 A HN 1.873 nan 8.150 nan 0.000 0.492 288 G N -0.712 108.080 108.800 -0.014 0.000 2.153 288 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.252 288 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.252 288 G C 0.073 174.967 174.900 -0.011 0.000 0.994 288 G CA 0.388 45.479 45.100 -0.014 0.000 0.698 288 G HN 0.459 nan 8.290 nan 0.000 0.521 289 L N 0.781 121.994 121.223 -0.016 0.000 2.380 289 L HA 0.538 4.877 4.340 -0.001 0.000 0.273 289 L C 1.563 178.419 176.870 -0.024 0.000 1.138 289 L CA -0.038 54.795 54.840 -0.011 0.000 0.832 289 L CB 0.725 42.777 42.059 -0.011 0.000 1.124 289 L HN 0.225 nan 8.230 nan 0.000 0.454 290 G N 3.263 112.072 108.800 0.014 0.000 2.606 290 G HA2 0.476 4.435 3.960 -0.001 0.000 0.252 290 G HA3 0.476 4.435 3.960 -0.001 0.000 0.252 290 G C -0.663 174.233 174.900 -0.006 0.000 1.206 290 G CA -0.547 44.577 45.100 0.041 0.000 0.861 290 G HN 0.429 nan 8.290 nan 0.000 0.561 291 L N 0.524 121.716 121.223 -0.051 0.000 2.362 291 L HA 0.555 4.894 4.340 -0.001 0.000 0.275 291 L C -0.070 176.875 176.870 0.125 0.000 0.998 291 L CA -0.586 54.130 54.840 -0.206 0.000 0.820 291 L CB 2.208 43.713 42.059 -0.924 0.000 1.270 291 L HN 0.557 nan 8.230 nan 0.000 0.415 292 M N 3.923 123.664 119.600 0.234 0.000 2.393 292 M HA 0.593 5.073 4.480 -0.001 0.000 0.316 292 M C -1.741 174.819 176.300 0.434 0.000 1.087 292 M CA -0.539 54.993 55.300 0.387 0.000 0.937 292 M CB 2.385 35.118 32.600 0.222 0.000 1.668 292 M HN 0.549 nan 8.290 nan 0.000 0.438 293 I N 4.161 124.963 120.570 0.386 0.000 2.378 293 I HA 0.854 5.023 4.170 -0.001 0.000 0.291 293 I C -0.284 175.889 176.117 0.094 0.000 0.992 293 I CA 0.185 61.593 61.300 0.181 0.000 1.154 293 I CB 1.604 39.526 38.000 -0.130 0.000 1.315 293 I HN 0.825 nan 8.210 nan 0.000 0.448 294 G N 3.628 112.473 108.800 0.074 0.000 2.976 294 G HA2 0.863 4.822 3.960 -0.001 0.000 0.276 294 G HA3 0.863 4.822 3.960 -0.001 0.000 0.276 294 G C -0.809 174.116 174.900 0.041 0.000 1.207 294 G CA -0.313 44.818 45.100 0.051 0.000 0.803 294 G HN 0.962 nan 8.290 nan 0.000 0.572 295 G N -1.928 106.892 108.800 0.033 0.000 2.490 295 G HA2 0.509 4.468 3.960 -0.001 0.000 0.308 295 G HA3 0.509 4.468 3.960 -0.001 0.000 0.308 295 G C -0.495 174.416 174.900 0.018 0.000 1.286 295 G CA -0.515 44.602 45.100 0.028 0.000 0.825 295 G HN 0.498 nan 8.290 nan 0.000 0.479 296 M N -0.576 119.044 119.600 0.032 0.000 2.277 296 M HA 0.435 4.915 4.480 -0.001 0.000 0.210 296 M C 0.767 177.133 176.300 0.110 0.000 0.951 296 M CA -0.602 54.732 55.300 0.056 0.000 1.743 296 M CB -0.415 32.244 32.600 0.099 0.000 1.103 296 M HN 0.188 nan 8.290 nan 0.000 0.856 297 V N 1.497 121.516 119.914 0.176 0.000 2.338 297 V HA 0.207 4.327 4.120 -0.001 0.000 0.255 297 V C -0.310 175.848 176.094 0.105 0.000 1.082 297 V CA -0.180 62.214 62.300 0.158 0.000 0.951 297 V CB -0.997 30.934 31.823 0.180 0.000 1.102 297 V HN 0.555 nan 8.190 nan 0.000 0.489 298 E N 2.236 122.484 120.200 0.080 0.000 2.343 298 E HA 0.544 4.894 4.350 -0.001 0.000 0.270 298 E C -0.289 176.313 176.600 0.003 0.000 0.895 298 E CA -0.534 55.885 56.400 0.033 0.000 0.767 298 E CB 2.327 32.033 29.700 0.011 0.000 1.248 298 E HN 0.524 nan 8.360 nan 0.000 0.440 299 S N 0.802 116.477 115.700 -0.042 0.000 2.596 299 S HA 0.206 4.675 4.470 -0.001 0.000 0.262 299 S C 1.091 175.554 174.600 -0.228 0.000 1.218 299 S CA -0.283 57.849 58.200 -0.114 0.000 0.998 299 S CB 0.347 63.529 63.200 -0.031 0.000 1.060 299 S HN 0.633 nan 8.310 nan 0.000 0.552 300 I N 0.999 121.351 120.570 -0.363 0.000 3.001 300 I HA -0.046 4.124 4.170 -0.001 0.000 0.268 300 I C 1.810 177.627 176.117 -0.500 0.000 1.267 300 I CA 0.493 61.511 61.300 -0.470 0.000 1.472 300 I CB -0.092 37.566 38.000 -0.569 0.000 1.089 300 I HN 0.618 nan 8.210 nan 0.000 0.468 301 L N 1.048 121.891 121.223 -0.634 0.000 2.005 301 L HA -0.081 4.259 4.340 -0.001 0.000 0.207 301 L C 2.417 179.014 176.870 -0.457 0.000 1.072 301 L CA 2.387 56.782 54.840 -0.742 0.000 0.744 301 L CB -0.931 40.463 42.059 -1.107 0.000 0.895 301 L HN 0.146 nan 8.230 nan 0.000 0.433 302 A N -0.887 121.752 122.820 -0.301 0.000 1.970 302 A HA -0.057 4.263 4.320 -0.001 0.000 0.216 302 A C 2.194 179.774 177.584 -0.006 0.000 1.170 302 A CA 1.564 53.515 52.037 -0.144 0.000 0.645 302 A CB -0.463 18.465 19.000 -0.118 0.000 0.816 302 A HN 0.527 nan 8.150 nan 0.000 0.447 303 M N -0.484 119.106 119.600 -0.016 0.000 2.288 303 M HA -0.031 4.448 4.480 -0.001 0.000 0.266 303 M C 2.113 178.592 176.300 0.298 0.000 1.072 303 M CA 1.117 56.498 55.300 0.136 0.000 1.132 303 M CB -0.685 32.019 32.600 0.173 0.000 1.386 303 M HN 0.392 nan 8.290 nan 0.000 0.432 304 S N 0.452 116.229 115.700 0.128 0.000 2.387 304 S HA -0.079 4.391 4.470 -0.001 0.000 0.226 304 S C 1.604 176.336 174.600 0.219 0.000 1.026 304 S CA 0.750 59.073 58.200 0.206 0.000 0.972 304 S CB -0.361 62.793 63.200 -0.077 0.000 0.814 304 S HN 0.372 nan 8.310 nan 0.000 0.477 305 F N 2.638 122.606 119.950 0.029 0.000 2.095 305 F HA -0.174 4.353 4.527 -0.001 0.000 0.298 305 F C 2.485 178.337 175.800 0.088 0.000 1.104 305 F CA 1.469 59.531 58.000 0.104 0.000 1.232 305 F CB -0.548 38.484 39.000 0.052 0.000 0.987 305 F HN 0.089 nan 8.300 nan 0.000 0.475 306 S N 0.284 116.153 115.700 0.281 0.000 2.356 306 S HA -0.189 4.280 4.470 -0.001 0.000 0.223 306 S C 2.300 176.863 174.600 -0.062 0.000 1.032 306 S CA 1.072 59.329 58.200 0.096 0.000 1.005 306 S CB -0.914 62.333 63.200 0.078 0.000 0.867 306 S HN 0.527 nan 8.310 nan 0.000 0.449 307 A N 2.462 125.285 122.820 0.005 0.000 1.940 307 A HA -0.168 4.152 4.320 -0.001 0.000 0.219 307 A C 1.951 179.499 177.584 -0.061 0.000 1.176 307 A CA 1.469 53.464 52.037 -0.070 0.000 0.631 307 A CB -0.730 18.260 19.000 -0.017 0.000 0.814 307 A HN 0.524 nan 8.150 nan 0.000 0.446 308 N N -0.526 118.188 118.700 0.024 0.000 2.120 308 N HA -0.156 4.584 4.740 -0.001 0.000 0.188 308 N C 1.737 177.299 175.510 0.088 0.000 1.024 308 N CA 1.652 54.761 53.050 0.099 0.000 0.852 308 N CB -0.258 38.302 38.487 0.121 0.000 1.003 308 N HN 0.445 nan 8.380 nan 0.000 0.424 309 L N 1.316 122.469 121.223 -0.117 0.000 2.027 309 L HA -0.029 4.310 4.340 -0.001 0.000 0.206 309 L C 2.246 178.920 176.870 -0.326 0.000 1.074 309 L CA 1.586 56.190 54.840 -0.393 0.000 0.745 309 L CB -0.687 40.980 42.059 -0.652 0.000 0.898 309 L HN 0.038 nan 8.230 nan 0.000 0.433 310 A N -0.643 121.888 122.820 -0.481 0.000 1.897 310 A HA 0.035 4.354 4.320 -0.001 0.000 0.215 310 A C 2.397 179.785 177.584 -0.325 0.000 1.181 310 A CA 1.516 53.043 52.037 -0.850 0.000 0.620 310 A CB -1.078 17.207 19.000 -1.191 0.000 0.821 310 A HN 0.562 nan 8.150 nan 0.000 0.443 311 A N -0.459 122.248 122.820 -0.188 0.000 1.897 311 A HA 0.209 4.528 4.320 -0.001 0.000 0.215 311 A C 2.385 179.977 177.584 0.014 0.000 1.181 311 A CA 1.750 53.741 52.037 -0.076 0.000 0.620 311 A CB -1.313 17.627 19.000 -0.101 0.000 0.821 311 A HN 0.653 nan 8.150 nan 0.000 0.443 312 G N 0.011 108.854 108.800 0.072 0.000 2.421 312 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.216 312 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.216 312 G C 1.589 176.572 174.900 0.138 0.000 1.171 312 G CA 1.091 46.289 45.100 0.163 0.000 0.775 312 G HN 0.573 nan 8.290 nan 0.000 0.543 313 N N 1.227 120.000 118.700 0.122 0.000 2.142 313 N HA 0.047 4.786 4.740 -0.001 0.000 0.186 313 N C 1.288 176.892 175.510 0.158 0.000 1.023 313 N CA 1.489 54.627 53.050 0.147 0.000 0.852 313 N CB -0.096 38.501 38.487 0.184 0.000 0.998 313 N HN 0.497 nan 8.380 nan 0.000 0.424 314 G N -1.634 107.276 108.800 0.184 0.000 2.796 314 G HA2 0.029 3.988 3.960 -0.001 0.000 0.571 314 G HA3 0.029 3.988 3.960 -0.001 0.000 0.571 314 G C 0.496 175.540 174.900 0.241 0.000 1.370 314 G CA -0.107 45.096 45.100 0.172 0.000 0.856 314 G HN 0.992 nan 8.290 nan 0.000 0.538 315 G N -1.787 107.090 108.800 0.129 0.000 2.153 315 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.252 315 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.252 315 G C 0.315 175.180 174.900 -0.058 0.000 0.994 315 G CA 0.970 46.081 45.100 0.018 0.000 0.698 315 G HN 1.519 nan 8.290 nan 0.000 0.521 316 F N 0.753 120.678 119.950 -0.042 0.000 2.405 316 F HA 0.443 4.969 4.527 -0.001 0.000 0.355 316 F C 1.062 176.792 175.800 -0.118 0.000 1.121 316 F CA -0.727 57.247 58.000 -0.042 0.000 1.112 316 F CB 1.364 40.350 39.000 -0.023 0.000 1.126 316 F HN -0.081 nan 8.300 nan 0.000 0.481 317 D N 2.646 122.983 120.400 -0.104 0.000 2.346 317 D HA 0.049 4.689 4.640 -0.001 0.000 0.206 317 D C -0.374 175.487 176.300 -0.732 0.000 1.001 317 D CA 0.935 54.650 54.000 -0.474 0.000 0.871 317 D CB 0.289 40.640 40.800 -0.749 0.000 0.943 317 D HN 0.154 nan 8.370 nan 0.000 0.518 318 F N 1.222 121.236 119.950 0.107 0.000 2.499 318 F HA 0.370 4.896 4.527 -0.001 0.000 0.333 318 F C -0.132 175.729 175.800 0.102 0.000 1.138 318 F CA -1.005 57.047 58.000 0.088 0.000 0.945 318 F CB 1.668 40.712 39.000 0.073 0.000 1.181 318 F HN -0.316 nan 8.300 nan 0.000 0.435 319 I N 2.474 123.152 120.570 0.180 0.000 2.355 319 I HA 0.246 4.416 4.170 -0.001 0.000 0.288 319 I C -0.614 175.545 176.117 0.070 0.000 0.999 319 I CA -0.471 60.877 61.300 0.080 0.000 1.163 319 I CB 1.480 39.466 38.000 -0.023 0.000 1.316 319 I HN 0.528 nan 8.210 nan 0.000 0.454 320 D N 7.607 128.046 120.400 0.065 0.000 2.634 320 D HA 0.371 5.010 4.640 -0.001 0.000 0.318 320 D C -0.711 175.611 176.300 0.036 0.000 1.226 320 D CA -0.082 53.954 54.000 0.060 0.000 0.899 320 D CB 0.142 40.988 40.800 0.077 0.000 1.025 320 D HN 0.418 nan 8.370 nan 0.000 0.501 321 L N 2.371 123.592 121.223 -0.003 0.000 2.581 321 L HA 0.370 4.709 4.340 -0.001 0.000 0.241 321 L C 0.156 177.029 176.870 0.006 0.000 1.265 321 L CA -0.324 54.515 54.840 -0.002 0.000 0.954 321 L CB 1.007 43.023 42.059 -0.072 0.000 1.269 321 L HN 0.123 nan 8.230 nan 0.000 0.475 322 D N -2.087 118.334 120.400 0.035 0.000 2.500 322 D HA -0.075 4.565 4.640 -0.001 0.000 0.218 322 D C 1.543 177.807 176.300 -0.061 0.000 1.140 322 D CA 0.608 54.591 54.000 -0.029 0.000 0.830 322 D CB 0.120 40.897 40.800 -0.038 0.000 1.055 322 D HN 0.345 nan 8.370 nan 0.000 0.512 323 T N -0.993 113.616 114.554 0.091 0.000 2.803 323 T HA -0.071 4.278 4.350 -0.001 0.000 0.269 323 T C -0.764 173.976 174.700 0.067 0.000 1.052 323 T CA 0.934 63.136 62.100 0.169 0.000 1.136 323 T CB -1.457 67.519 68.868 0.181 0.000 0.864 323 T HN 0.035 nan 8.240 nan 0.000 0.467 324 P HA 0.096 nan 4.420 nan 0.000 0.225 324 P C 1.394 178.643 177.300 -0.086 0.000 1.148 324 P CA 0.624 63.685 63.100 -0.064 0.000 0.779 324 P CB -0.292 31.354 31.700 -0.089 0.000 0.780 325 L N -2.668 118.435 121.223 -0.200 0.000 2.217 325 L HA -0.025 4.315 4.340 -0.001 0.000 0.211 325 L C 1.235 177.910 176.870 -0.325 0.000 1.107 325 L CA 1.015 55.660 54.840 -0.325 0.000 0.783 325 L CB -0.627 41.112 42.059 -0.533 0.000 0.919 325 L HN -0.063 nan 8.230 nan 0.000 0.442 326 F N -0.081 119.902 119.950 0.054 0.000 2.798 326 F HA 0.327 4.854 4.527 -0.001 0.000 0.291 326 F C 0.341 176.174 175.800 0.055 0.000 1.174 326 F CA -0.196 57.835 58.000 0.053 0.000 1.392 326 F CB 0.069 39.098 39.000 0.050 0.000 0.966 326 F HN -0.118 nan 8.300 nan 0.000 0.509 327 I N -0.027 120.638 120.570 0.159 0.000 2.447 327 I HA 0.379 4.549 4.170 -0.001 0.000 0.287 327 I C 0.664 176.887 176.117 0.176 0.000 1.023 327 I CA -0.464 60.926 61.300 0.151 0.000 1.083 327 I CB 1.978 40.038 38.000 0.100 0.000 1.245 327 I HN 0.151 nan 8.210 nan 0.000 0.434 328 A N 5.487 128.403 122.820 0.160 0.000 1.859 328 A HA 0.217 4.536 4.320 -0.001 0.000 0.212 328 A C 0.523 178.178 177.584 0.118 0.000 1.238 328 A CA 0.827 52.939 52.037 0.125 0.000 0.613 328 A CB 0.165 19.214 19.000 0.081 0.000 0.904 328 A HN 0.593 nan 8.150 nan 0.000 0.457 329 E N 1.464 121.724 120.200 0.099 0.000 2.165 329 E HA 0.418 4.767 4.350 -0.001 0.000 0.266 329 E C -1.326 175.317 176.600 0.071 0.000 0.889 329 E CA -0.391 56.013 56.400 0.007 0.000 0.756 329 E CB 1.157 30.842 29.700 -0.024 0.000 1.131 329 E HN 0.748 nan 8.360 nan 0.000 0.411 330 H N 0.634 119.693 119.070 -0.020 0.000 2.865 330 H HA 0.363 4.918 4.556 -0.001 0.000 0.362 330 H C -2.586 172.621 175.328 -0.201 0.000 1.114 330 H CA -1.966 54.051 56.048 -0.052 0.000 1.208 330 H CB 1.831 31.675 29.762 0.137 0.000 1.727 330 H HN 0.141 nan 8.280 nan 0.000 0.534 331 P HA 0.163 nan 4.420 nan 0.000 0.255 331 P C -0.703 176.283 177.300 -0.523 0.000 1.357 331 P CA 0.047 62.840 63.100 -0.512 0.000 0.839 331 P CB -0.409 30.961 31.700 -0.549 0.000 1.356 332 F N 1.077 121.094 119.950 0.112 0.000 2.507 332 F HA 0.556 5.082 4.527 -0.001 0.000 0.327 332 F C 0.987 176.863 175.800 0.126 0.000 1.068 332 F CA -1.415 56.654 58.000 0.115 0.000 0.965 332 F CB 1.377 40.434 39.000 0.095 0.000 1.192 332 F HN -0.258 nan 8.300 nan 0.000 0.476 333 I N -1.282 119.436 120.570 0.248 0.000 3.264 333 I HA 0.978 5.147 4.170 -0.001 0.000 0.315 333 I C 0.367 176.542 176.117 0.097 0.000 1.154 333 I CA -0.896 60.492 61.300 0.145 0.000 0.962 333 I CB 1.630 39.675 38.000 0.076 0.000 1.265 333 I HN 0.797 nan 8.210 nan 0.000 0.463 334 G N 1.302 110.136 108.800 0.057 0.000 2.652 334 G HA2 0.205 4.164 3.960 -0.001 0.000 0.278 334 G HA3 0.205 4.164 3.960 -0.001 0.000 0.278 334 G C 0.777 175.660 174.900 -0.028 0.000 1.263 334 G CA 0.481 45.599 45.100 0.030 0.000 0.966 334 G HN 2.617 nan 8.290 nan 0.000 0.544 335 G N -0.330 108.439 108.800 -0.051 0.000 2.552 335 G HA2 0.280 4.239 3.960 -0.001 0.000 0.265 335 G HA3 0.280 4.239 3.960 -0.001 0.000 0.265 335 G C 0.335 175.175 174.900 -0.100 0.000 1.234 335 G CA 1.272 46.263 45.100 -0.182 0.000 0.944 335 G HN 2.266 nan 8.290 nan 0.000 0.568 336 F N 0.040 119.989 119.950 -0.001 0.000 2.429 336 F HA 0.715 5.241 4.527 -0.001 0.000 0.348 336 F C 0.623 176.417 175.800 -0.009 0.000 1.109 336 F CA -1.286 56.706 58.000 -0.013 0.000 1.232 336 F CB 0.731 39.711 39.000 -0.034 0.000 1.157 336 F HN 1.077 nan 8.300 nan 0.000 0.564 337 A N 3.734 126.697 122.820 0.238 0.000 2.415 337 A HA 0.274 4.594 4.320 -0.001 0.000 0.309 337 A C -0.068 177.615 177.584 0.164 0.000 1.356 337 A CA -0.575 51.555 52.037 0.156 0.000 0.998 337 A CB -0.310 18.741 19.000 0.085 0.000 1.145 337 A HN 0.874 nan 8.150 nan 0.000 0.545 338 Q N 2.506 122.426 119.800 0.200 0.000 2.296 338 Q HA 0.431 4.770 4.340 -0.001 0.000 0.257 338 Q C -0.458 175.578 176.000 0.060 0.000 0.942 338 Q CA -0.176 55.700 55.803 0.122 0.000 0.939 338 Q CB 0.631 29.469 28.738 0.166 0.000 1.198 338 Q HN 0.680 nan 8.270 nan 0.000 0.429 339 T N 1.587 116.157 114.554 0.025 0.000 2.864 339 T HA 0.680 5.030 4.350 -0.001 0.000 0.299 339 T C 0.554 175.254 174.700 -0.001 0.000 1.011 339 T CA 0.057 62.165 62.100 0.014 0.000 0.975 339 T CB 1.358 70.234 68.868 0.014 0.000 0.962 339 T HN 0.949 nan 8.240 nan 0.000 0.448 340 G N 3.240 112.039 108.800 -0.002 0.000 2.527 340 G HA2 -0.098 3.862 3.960 -0.001 0.000 0.262 340 G HA3 -0.098 3.862 3.960 -0.001 0.000 0.262 340 G C 0.822 175.710 174.900 -0.021 0.000 1.153 340 G CA 0.103 45.198 45.100 -0.008 0.000 0.954 340 G HN 1.604 nan 8.290 nan 0.000 0.552 341 G N -0.231 108.552 108.800 -0.028 0.000 2.986 341 G HA2 0.419 4.379 3.960 -0.001 0.000 0.213 341 G HA3 0.419 4.379 3.960 -0.001 0.000 0.213 341 G C 0.703 175.559 174.900 -0.073 0.000 1.156 341 G CA 1.439 46.512 45.100 -0.046 0.000 0.763 341 G HN 1.106 nan 8.290 nan 0.000 0.547 342 T N 2.096 116.614 114.554 -0.060 0.000 2.752 342 T HA 0.390 4.740 4.350 -0.001 0.000 0.295 342 T C -0.019 174.622 174.700 -0.099 0.000 0.923 342 T CA 0.106 62.162 62.100 -0.074 0.000 1.112 342 T CB 1.129 69.970 68.868 -0.045 0.000 0.884 342 T HN -0.004 nan 8.240 nan 0.000 0.525 343 L N 3.917 125.039 121.223 -0.169 0.000 2.264 343 L HA 0.419 4.758 4.340 -0.001 0.000 0.287 343 L C 0.250 177.039 176.870 -0.135 0.000 1.039 343 L CA -0.832 53.862 54.840 -0.243 0.000 0.829 343 L CB 0.815 42.522 42.059 -0.587 0.000 1.211 343 L HN 0.453 nan 8.230 nan 0.000 0.427 344 Q N 3.193 122.974 119.800 -0.032 0.000 2.331 344 Q HA 0.488 4.827 4.340 -0.001 0.000 0.257 344 Q C -1.003 175.008 176.000 0.018 0.000 0.957 344 Q CA -0.310 55.483 55.803 -0.017 0.000 0.923 344 Q CB 1.235 29.974 28.738 0.002 0.000 1.212 344 Q HN 0.409 nan 8.270 nan 0.000 0.443 345 L N 2.284 123.477 121.223 -0.050 0.000 2.416 345 L HA 0.907 5.246 4.340 -0.001 0.000 0.262 345 L C -0.116 176.714 176.870 -0.067 0.000 1.093 345 L CA -0.278 54.519 54.840 -0.071 0.000 0.801 345 L CB 1.406 43.305 42.059 -0.266 0.000 1.191 345 L HN 0.795 nan 8.230 nan 0.000 0.459 346 A N -0.283 122.543 122.820 0.011 0.000 2.530 346 A HA 0.596 4.915 4.320 -0.001 0.000 0.288 346 A C -1.205 176.496 177.584 0.195 0.000 1.172 346 A CA -0.621 51.459 52.037 0.071 0.000 0.733 346 A CB 0.887 19.925 19.000 0.063 0.000 1.320 346 A HN 0.632 nan 8.150 nan 0.000 0.419 347 D N 1.501 121.992 120.400 0.150 0.000 2.558 347 D HA 0.397 5.037 4.640 -0.001 0.000 0.221 347 D C -0.736 175.616 176.300 0.087 0.000 1.143 347 D CA 0.605 54.692 54.000 0.145 0.000 1.010 347 D CB 0.352 41.212 40.800 0.100 0.000 1.068 347 D HN 0.185 nan 8.370 nan 0.000 0.511 348 V N 0.752 120.718 119.914 0.086 0.000 2.789 348 V HA 0.520 4.639 4.120 -0.001 0.000 0.311 348 V C 0.397 176.482 176.094 -0.016 0.000 1.073 348 V CA -1.395 60.924 62.300 0.032 0.000 0.921 348 V CB 1.998 33.844 31.823 0.038 0.000 1.009 348 V HN 0.433 nan 8.190 nan 0.000 0.426 349 A N 2.845 125.627 122.820 -0.063 0.000 2.561 349 A HA 0.568 4.888 4.320 -0.001 0.000 0.234 349 A C 1.190 178.682 177.584 -0.153 0.000 1.055 349 A CA 1.120 53.084 52.037 -0.121 0.000 0.756 349 A CB -0.656 18.242 19.000 -0.171 0.000 0.986 349 A HN 2.455 nan 8.150 nan 0.000 0.505 350 G N 1.901 110.580 108.800 -0.201 0.000 2.569 350 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.259 350 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.259 350 G C 0.345 175.153 174.900 -0.152 0.000 1.263 350 G CA 1.235 46.175 45.100 -0.266 0.000 0.928 350 G HN 2.320 nan 8.290 nan 0.000 0.572 351 H N -0.281 118.781 119.070 -0.013 0.000 2.529 351 H HA 0.414 4.969 4.556 -0.001 0.000 0.277 351 H C 2.131 177.477 175.328 0.029 0.000 0.999 351 H CA 1.313 57.380 56.048 0.030 0.000 1.256 351 H CB -0.371 29.449 29.762 0.097 0.000 1.402 351 H HN 2.366 nan 8.280 nan 0.000 0.566 352 G N 0.182 109.096 108.800 0.189 0.000 2.137 352 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.237 352 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.237 352 G C 0.189 175.191 174.900 0.171 0.000 1.002 352 G CA 0.380 45.564 45.100 0.140 0.000 0.702 352 G HN 0.974 nan 8.290 nan 0.000 0.515 353 V N -1.884 118.222 119.914 0.321 0.000 2.547 353 V HA 0.905 5.024 4.120 -0.001 0.000 0.299 353 V C -0.473 175.750 176.094 0.216 0.000 1.040 353 V CA -1.252 61.142 62.300 0.156 0.000 0.913 353 V CB 1.923 33.687 31.823 -0.099 0.000 0.992 353 V HN 0.246 nan 8.190 nan 0.000 0.449 354 N N 4.184 123.005 118.700 0.201 0.000 2.287 354 N HA 0.495 5.235 4.740 -0.001 0.000 0.289 354 N C -1.170 174.464 175.510 0.206 0.000 1.066 354 N CA -0.445 52.718 53.050 0.188 0.000 0.841 354 N CB 2.399 40.949 38.487 0.105 0.000 1.599 354 N HN 0.739 nan 8.380 nan 0.000 0.476 355 L N 1.624 122.953 121.223 0.176 0.000 2.416 355 L HA 0.214 4.553 4.340 -0.001 0.000 0.272 355 L C 1.171 178.056 176.870 0.026 0.000 1.161 355 L CA 0.044 54.924 54.840 0.066 0.000 0.845 355 L CB 0.352 42.432 42.059 0.035 0.000 1.119 355 L HN 0.639 nan 8.230 nan 0.000 0.464 356 E N 1.734 121.926 120.200 -0.013 0.000 2.396 356 E HA 0.875 5.225 4.350 -0.001 0.000 0.251 356 E C -0.433 176.150 176.600 -0.029 0.000 0.949 356 E CA -0.999 55.393 56.400 -0.013 0.000 0.834 356 E CB 1.859 31.552 29.700 -0.010 0.000 1.309 356 E HN 0.513 nan 8.360 nan 0.000 0.405 357 G N 0.000 108.786 108.800 -0.023 0.000 5.446 357 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 357 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 357 G CA 0.000 45.084 45.100 -0.026 0.000 0.502 357 G HN 0.000 nan 8.290 nan 0.000 0.925