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 2f25_1_A DATA FIRST_RESID 1 DATA SEQUENCE MASLPVLQKE SVFQSGAHAY RIPALLYLPG QQSLLAFAEQ RASKKDEHAE DATA SEQUENCE LIVLRRGDYD APTHQVQWQA QEVVAQARLD GHRSMNPCPL YDAQTGTLFL DATA SEQUENCE FFIAIPGQVT QQQQLQTRAN VTRLCQVTST DHGRTWSSPR DLTDAAIGPA DATA SEQUENCE YREWSTFAVG PGHCLQLNDR ARSLVVPAYA YRKLHPIQRP IPSAFCFLSH DATA SEQUENCE DHGRTWARGH FVAQDTLECQ VAEVETGEQR VVTLNARSHL RARVQAQSTN DATA SEQUENCE DGLDFQESQL VKKLVEPPPQ GCQGSVISFP SPRXXXXSPA QWLLYTHPTH DATA SEQUENCE SWQRADLGAY LNPRPPAPEA WSEPVLLAKG SCAYSDLQSM GTGPDGSPLF DATA SEQUENCE GCLYEANDYE EIVFLMFTLK QAFPAEY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.276 176.300 -0.040 0.000 1.140 1 M CA 0.000 55.280 55.300 -0.033 0.000 0.988 1 M CB 0.000 32.586 32.600 -0.023 0.000 1.302 2 A N 1.624 124.420 122.820 -0.040 0.000 2.386 2 A HA 0.596 4.915 4.320 -0.001 0.000 0.246 2 A C 0.641 178.186 177.584 -0.066 0.000 1.089 2 A CA 0.249 52.260 52.037 -0.044 0.000 0.790 2 A CB -0.229 18.748 19.000 -0.038 0.000 1.042 2 A HN 0.769 nan 8.150 nan 0.000 0.497 3 S N 0.190 115.847 115.700 -0.072 0.000 2.641 3 S HA 0.409 4.879 4.470 -0.001 0.000 0.261 3 S C 0.162 174.689 174.600 -0.121 0.000 1.257 3 S CA -0.539 57.597 58.200 -0.107 0.000 0.983 3 S CB 0.137 63.274 63.200 -0.105 0.000 0.990 3 S HN 1.089 nan 8.310 nan 0.000 0.572 4 L N 2.438 123.556 121.223 -0.175 0.000 2.462 4 L HA 0.329 4.668 4.340 -0.001 0.000 0.272 4 L C -2.094 174.694 176.870 -0.136 0.000 1.166 4 L CA -1.340 53.386 54.840 -0.189 0.000 0.880 4 L CB -0.192 41.684 42.059 -0.305 0.000 1.142 4 L HN 0.521 nan 8.230 nan 0.000 0.473 5 P HA 0.210 nan 4.420 nan 0.000 0.276 5 P C -0.973 176.308 177.300 -0.032 0.000 1.235 5 P CA -0.185 62.886 63.100 -0.048 0.000 0.772 5 P CB 1.142 32.823 31.700 -0.033 0.000 0.871 6 V N 1.071 120.989 119.914 0.005 0.000 3.181 6 V HA 0.361 4.480 4.120 -0.001 0.000 0.314 6 V C 1.501 177.652 176.094 0.095 0.000 1.173 6 V CA -0.873 61.467 62.300 0.067 0.000 1.052 6 V CB 1.145 33.019 31.823 0.086 0.000 1.123 6 V HN 0.307 nan 8.190 nan 0.000 0.454 7 L N -0.439 120.866 121.223 0.137 0.000 2.156 7 L HA 0.207 4.547 4.340 -0.001 0.000 0.208 7 L C 1.193 178.154 176.870 0.151 0.000 1.095 7 L CA 1.512 56.446 54.840 0.157 0.000 0.770 7 L CB -0.029 42.142 42.059 0.185 0.000 0.914 7 L HN 0.901 nan 8.230 nan 0.000 0.439 8 Q N -0.607 119.267 119.800 0.124 0.000 2.426 8 Q HA 0.327 4.667 4.340 -0.001 0.000 0.278 8 Q C -1.454 174.592 176.000 0.077 0.000 1.007 8 Q CA -0.704 55.173 55.803 0.122 0.000 0.850 8 Q CB 2.183 31.042 28.738 0.202 0.000 1.427 8 Q HN -0.100 nan 8.270 nan 0.000 0.391 9 K N 2.411 122.870 120.400 0.100 0.000 2.695 9 K HA 0.332 4.651 4.320 -0.001 0.000 0.255 9 K C -2.043 174.622 176.600 0.108 0.000 1.016 9 K CA -0.205 56.134 56.287 0.086 0.000 0.928 9 K CB 1.479 34.022 32.500 0.071 0.000 1.235 9 K HN 0.657 nan 8.250 nan 0.000 0.467 10 E N 2.441 122.726 120.200 0.142 0.000 2.308 10 E HA 0.304 4.653 4.350 -0.001 0.000 0.275 10 E C -1.416 175.195 176.600 0.018 0.000 0.890 10 E CA -0.728 55.734 56.400 0.104 0.000 0.754 10 E CB 1.862 31.672 29.700 0.184 0.000 1.207 10 E HN 0.389 nan 8.360 nan 0.000 0.426 11 S N 2.663 118.331 115.700 -0.053 0.000 2.422 11 S HA 0.113 4.582 4.470 -0.001 0.000 0.283 11 S C 0.929 175.383 174.600 -0.243 0.000 1.163 11 S CA -0.377 57.749 58.200 -0.124 0.000 1.054 11 S CB 0.946 64.091 63.200 -0.092 0.000 0.967 11 S HN 0.510 nan 8.310 nan 0.000 0.499 12 V N 0.444 120.120 119.914 -0.397 0.000 3.590 12 V HA 0.485 4.604 4.120 -0.001 0.000 0.265 12 V C -0.245 175.241 176.094 -1.014 0.000 1.239 12 V CA 0.418 62.243 62.300 -0.791 0.000 1.117 12 V CB -0.728 30.345 31.823 -1.250 0.000 0.818 12 V HN 0.555 nan 8.190 nan 0.000 0.451 13 F N 0.171 119.922 119.950 -0.332 0.000 2.591 13 F HA 0.782 5.308 4.527 -0.001 0.000 0.309 13 F C -0.255 175.384 175.800 -0.269 0.000 1.098 13 F CA -0.809 56.942 58.000 -0.415 0.000 0.937 13 F CB 2.249 40.992 39.000 -0.427 0.000 1.250 13 F HN -0.042 nan 8.300 nan 0.000 0.447 14 Q N 0.813 120.572 119.800 -0.067 0.000 2.379 14 Q HA 0.477 4.816 4.340 -0.001 0.000 0.278 14 Q C -1.075 175.053 176.000 0.214 0.000 1.068 14 Q CA -1.072 54.763 55.803 0.053 0.000 0.816 14 Q CB 2.789 31.533 28.738 0.009 0.000 1.387 14 Q HN 0.592 nan 8.270 nan 0.000 0.413 15 S N 0.240 116.084 115.700 0.240 0.000 2.560 15 S HA 0.463 4.933 4.470 -0.001 0.000 0.284 15 S C 0.200 174.919 174.600 0.199 0.000 1.327 15 S CA 0.551 58.909 58.200 0.263 0.000 1.055 15 S CB 0.707 63.992 63.200 0.143 0.000 0.868 15 S HN 0.791 nan 8.310 nan 0.000 0.506 16 G N 0.766 109.687 108.800 0.202 0.000 3.535 16 G HA2 0.475 4.434 3.960 -0.001 0.000 0.169 16 G HA3 0.475 4.434 3.960 -0.001 0.000 0.169 16 G C 0.671 175.596 174.900 0.042 0.000 1.241 16 G CA 0.130 45.304 45.100 0.123 0.000 1.334 16 G HN 0.715 nan 8.290 nan 0.000 0.717 17 A N -0.532 122.292 122.820 0.006 0.000 2.066 17 A HA 0.319 4.639 4.320 -0.001 0.000 0.218 17 A C 0.942 178.258 177.584 -0.447 0.000 1.157 17 A CA 1.016 52.927 52.037 -0.211 0.000 0.670 17 A CB -0.488 18.366 19.000 -0.243 0.000 0.804 17 A HN 0.500 nan 8.150 nan 0.000 0.453 18 H N -2.350 116.711 119.070 -0.016 0.000 2.894 18 H HA 0.643 5.199 4.556 -0.001 0.000 0.368 18 H C -0.412 174.747 175.328 -0.282 0.000 1.181 18 H CA -0.306 55.621 56.048 -0.202 0.000 1.146 18 H CB 1.733 31.277 29.762 -0.363 0.000 1.839 18 H HN 0.223 nan 8.280 nan 0.000 0.557 19 A N 1.088 123.753 122.820 -0.258 0.000 2.294 19 A HA 0.641 4.960 4.320 -0.001 0.000 0.330 19 A C -1.561 175.702 177.584 -0.534 0.000 1.133 19 A CA -0.489 51.429 52.037 -0.198 0.000 0.836 19 A CB 0.624 19.576 19.000 -0.079 0.000 1.190 19 A HN 0.562 nan 8.150 nan 0.000 0.492 20 Y N 0.424 120.720 120.300 -0.007 0.000 2.346 20 Y HA 0.632 5.182 4.550 -0.001 0.000 0.332 20 Y C 0.497 176.359 175.900 -0.063 0.000 0.985 20 Y CA -0.377 57.669 58.100 -0.091 0.000 1.112 20 Y CB 1.890 40.259 38.460 -0.151 0.000 1.170 20 Y HN 0.735 nan 8.280 nan 0.000 0.447 21 R N 2.211 122.710 120.500 -0.002 0.000 2.831 21 R HA 0.594 4.934 4.340 -0.001 0.000 0.266 21 R C -1.234 175.058 176.300 -0.014 0.000 1.051 21 R CA -1.152 54.947 56.100 -0.002 0.000 0.943 21 R CB 2.020 32.265 30.300 -0.091 0.000 1.228 21 R HN 0.648 nan 8.270 nan 0.000 0.467 22 I N 0.345 120.919 120.570 0.007 0.000 7.141 22 I HA -0.143 4.026 4.170 -0.001 0.000 0.126 22 I C -2.320 173.889 176.117 0.153 0.000 1.833 22 I CA -0.217 61.140 61.300 0.096 0.000 2.047 22 I CB -2.092 35.940 38.000 0.053 0.000 3.597 22 I HN 0.505 nan 8.210 nan 0.000 0.172 23 P HA 0.493 nan 4.420 nan 0.000 0.274 23 P C -0.388 177.086 177.300 0.290 0.000 1.231 23 P CA -0.133 63.106 63.100 0.232 0.000 0.790 23 P CB 2.066 33.918 31.700 0.254 0.000 0.951 24 A N 2.825 125.847 122.820 0.337 0.000 2.408 24 A HA 0.600 4.920 4.320 -0.001 0.000 0.295 24 A C -1.597 176.274 177.584 0.477 0.000 1.040 24 A CA -0.596 51.676 52.037 0.393 0.000 0.707 24 A CB 1.060 20.270 19.000 0.351 0.000 1.235 24 A HN 0.495 nan 8.150 nan 0.000 0.418 25 L N 2.491 123.986 121.223 0.453 0.000 2.362 25 L HA 0.876 5.215 4.340 -0.001 0.000 0.275 25 L C -1.562 175.565 176.870 0.428 0.000 0.998 25 L CA -0.725 54.379 54.840 0.439 0.000 0.820 25 L CB 1.737 44.035 42.059 0.398 0.000 1.270 25 L HN 0.690 nan 8.230 nan 0.000 0.415 26 L N 5.126 126.610 121.223 0.435 0.000 2.439 26 L HA 0.473 4.812 4.340 -0.001 0.000 0.270 26 L C -1.693 175.371 176.870 0.324 0.000 0.972 26 L CA -0.311 54.767 54.840 0.397 0.000 0.836 26 L CB 1.499 43.838 42.059 0.467 0.000 1.255 26 L HN 0.600 nan 8.230 nan 0.000 0.404 27 Y N 5.284 125.670 120.300 0.143 0.000 2.308 27 Y HA 0.605 5.154 4.550 -0.001 0.000 0.329 27 Y C -0.953 174.945 175.900 -0.003 0.000 1.111 27 Y CA -0.720 57.411 58.100 0.052 0.000 1.179 27 Y CB 1.062 39.550 38.460 0.046 0.000 1.201 27 Y HN 0.539 nan 8.280 nan 0.000 0.483 28 L N 9.705 130.495 121.223 -0.721 0.000 2.335 28 L HA 0.310 4.649 4.340 -0.001 0.000 0.268 28 L C -1.555 174.728 176.870 -0.978 0.000 1.037 28 L CA -1.725 52.671 54.840 -0.741 0.000 0.895 28 L CB 1.432 43.057 42.059 -0.724 0.000 1.266 28 L HN 0.575 nan 8.230 nan 0.000 0.439 29 P HA -0.184 nan 4.420 nan 0.000 0.216 29 P C 1.355 178.496 177.300 -0.265 0.000 1.150 29 P CA 1.481 64.281 63.100 -0.500 0.000 0.843 29 P CB 0.375 32.016 31.700 -0.098 0.000 0.787 30 G N -0.545 108.130 108.800 -0.208 0.000 2.484 30 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.218 30 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.218 30 G C 1.617 176.426 174.900 -0.151 0.000 1.130 30 G CA 0.356 45.388 45.100 -0.112 0.000 0.784 30 G HN 0.253 nan 8.290 nan 0.000 0.543 31 Q N -0.720 118.911 119.800 -0.281 0.000 2.378 31 Q HA 0.116 4.455 4.340 -0.001 0.000 0.216 31 Q C 0.553 176.429 176.000 -0.207 0.000 0.892 31 Q CA 0.065 55.712 55.803 -0.260 0.000 0.931 31 Q CB 0.450 28.937 28.738 -0.419 0.000 1.086 31 Q HN 0.608 nan 8.270 nan 0.000 0.528 32 Q N 0.571 120.216 119.800 -0.258 0.000 2.463 32 Q HA -0.118 4.221 4.340 -0.001 0.000 0.299 32 Q C -0.889 175.072 176.000 -0.065 0.000 1.353 32 Q CA 0.365 56.114 55.803 -0.091 0.000 0.828 32 Q CB -1.448 27.319 28.738 0.048 0.000 1.157 32 Q HN 0.066 nan 8.270 nan 0.000 0.436 33 S N -0.166 115.389 115.700 -0.243 0.000 2.570 33 S HA 0.804 5.273 4.470 -0.001 0.000 0.286 33 S C -0.507 173.985 174.600 -0.180 0.000 1.099 33 S CA -0.812 57.257 58.200 -0.219 0.000 0.913 33 S CB 1.779 64.813 63.200 -0.276 0.000 1.085 33 S HN 0.296 nan 8.310 nan 0.000 0.480 34 L N 1.799 122.914 121.223 -0.181 0.000 2.333 34 L HA 0.640 4.979 4.340 -0.001 0.000 0.269 34 L C -1.214 175.661 176.870 0.009 0.000 1.010 34 L CA -0.748 54.076 54.840 -0.026 0.000 0.818 34 L CB 1.320 43.364 42.059 -0.026 0.000 1.306 34 L HN 0.387 nan 8.230 nan 0.000 0.430 35 L N 2.396 123.704 121.223 0.143 0.000 2.343 35 L HA 0.665 5.005 4.340 -0.001 0.000 0.278 35 L C -0.295 176.645 176.870 0.118 0.000 0.996 35 L CA -0.524 54.361 54.840 0.075 0.000 0.831 35 L CB 1.791 43.893 42.059 0.072 0.000 1.232 35 L HN 0.650 nan 8.230 nan 0.000 0.413 36 A N 4.079 126.944 122.820 0.076 0.000 2.271 36 A HA 0.814 5.133 4.320 -0.001 0.000 0.317 36 A C -1.021 176.570 177.584 0.013 0.000 1.245 36 A CA -0.233 51.883 52.037 0.131 0.000 0.857 36 A CB 0.322 19.307 19.000 -0.025 0.000 1.175 36 A HN 0.516 nan 8.150 nan 0.000 0.512 37 F N 1.253 121.359 119.950 0.260 0.000 2.523 37 F HA 0.808 5.334 4.527 -0.001 0.000 0.329 37 F C 0.592 176.384 175.800 -0.013 0.000 1.061 37 F CA 0.004 58.084 58.000 0.134 0.000 0.967 37 F CB 2.429 41.494 39.000 0.109 0.000 1.218 37 F HN 0.800 nan 8.300 nan 0.000 0.480 38 A N 0.766 123.594 122.820 0.013 0.000 2.608 38 A HA 0.518 4.837 4.320 -0.001 0.000 0.292 38 A C -1.545 175.967 177.584 -0.120 0.000 1.066 38 A CA -0.909 51.031 52.037 -0.162 0.000 0.676 38 A CB 1.061 19.688 19.000 -0.622 0.000 1.277 38 A HN 0.704 nan 8.150 nan 0.000 0.413 39 E N 1.040 121.181 120.200 -0.097 0.000 2.223 39 E HA 0.227 4.577 4.350 -0.001 0.000 0.282 39 E C -0.364 176.117 176.600 -0.198 0.000 1.046 39 E CA -0.113 56.216 56.400 -0.117 0.000 0.857 39 E CB 1.019 30.664 29.700 -0.092 0.000 1.055 39 E HN 0.503 nan 8.360 nan 0.000 0.409 40 Q N 5.079 124.730 119.800 -0.248 0.000 2.377 40 Q HA 0.133 4.472 4.340 -0.001 0.000 0.249 40 Q C -0.746 175.037 176.000 -0.362 0.000 1.005 40 Q CA -0.422 55.097 55.803 -0.473 0.000 0.912 40 Q CB 0.398 28.896 28.738 -0.401 0.000 1.223 40 Q HN 0.385 nan 8.270 nan 0.000 0.459 41 R N 2.102 122.397 120.500 -0.341 0.000 2.720 41 R HA 0.514 4.853 4.340 -0.001 0.000 0.272 41 R C 0.276 176.528 176.300 -0.079 0.000 0.991 41 R CA -0.172 55.834 56.100 -0.157 0.000 1.010 41 R CB 1.063 31.293 30.300 -0.115 0.000 1.141 41 R HN 0.635 nan 8.270 nan 0.000 0.494 42 A N 0.606 123.413 122.820 -0.022 0.000 2.119 42 A HA -0.021 4.298 4.320 -0.001 0.000 0.216 42 A C 0.769 178.288 177.584 -0.108 0.000 1.152 42 A CA 1.318 53.322 52.037 -0.054 0.000 0.708 42 A CB -0.088 18.838 19.000 -0.123 0.000 0.805 42 A HN 0.765 nan 8.150 nan 0.000 0.460 43 S N -2.645 113.025 115.700 -0.050 0.000 2.661 43 S HA 0.373 4.843 4.470 -0.001 0.000 0.268 43 S C 0.086 174.690 174.600 0.007 0.000 1.162 43 S CA -0.232 57.957 58.200 -0.018 0.000 0.817 43 S CB 0.411 63.620 63.200 0.015 0.000 1.141 43 S HN 0.106 nan 8.310 nan 0.000 0.477 44 K N 0.472 120.871 120.400 -0.001 0.000 2.283 44 K HA 0.074 4.393 4.320 -0.001 0.000 0.202 44 K C 0.156 176.690 176.600 -0.109 0.000 1.048 44 K CA 0.695 56.945 56.287 -0.061 0.000 0.948 44 K CB -0.283 32.186 32.500 -0.053 0.000 0.742 44 K HN 0.400 nan 8.250 nan 0.000 0.458 45 K N 1.801 122.179 120.400 -0.037 0.000 2.448 45 K HA -0.055 4.264 4.320 -0.001 0.000 0.278 45 K C 0.238 176.742 176.600 -0.159 0.000 1.009 45 K CA -0.195 56.019 56.287 -0.121 0.000 0.995 45 K CB 0.588 32.985 32.500 -0.173 0.000 0.917 45 K HN 0.008 nan 8.250 nan 0.000 0.481 46 D N 2.442 122.731 120.400 -0.184 0.000 2.133 46 D HA -0.210 4.429 4.640 -0.001 0.000 0.195 46 D C 1.557 177.769 176.300 -0.148 0.000 0.997 46 D CA 1.455 55.362 54.000 -0.155 0.000 0.840 46 D CB 0.098 40.818 40.800 -0.134 0.000 0.947 46 D HN 0.659 nan 8.370 nan 0.000 0.452 47 E N 0.492 120.558 120.200 -0.223 0.000 2.516 47 E HA -0.167 4.182 4.350 -0.001 0.000 0.199 47 E C 0.591 177.078 176.600 -0.189 0.000 1.069 47 E CA 0.740 57.007 56.400 -0.222 0.000 0.876 47 E CB -0.365 29.175 29.700 -0.267 0.000 0.843 47 E HN 0.427 nan 8.360 nan 0.000 0.530 48 H N 0.797 119.827 119.070 -0.067 0.000 2.520 48 H HA 0.439 4.995 4.556 -0.001 0.000 0.284 48 H C 0.482 175.768 175.328 -0.070 0.000 1.037 48 H CA 0.005 56.016 56.048 -0.062 0.000 1.168 48 H CB 0.054 29.778 29.762 -0.064 0.000 1.497 48 H HN 0.236 nan 8.280 nan 0.000 0.547 49 A N 0.746 123.578 122.820 0.019 0.000 2.466 49 A HA 0.164 4.484 4.320 -0.001 0.000 0.238 49 A C 0.746 178.319 177.584 -0.019 0.000 1.074 49 A CA 0.195 52.216 52.037 -0.027 0.000 0.774 49 A CB 0.829 19.805 19.000 -0.041 0.000 1.015 49 A HN 0.487 nan 8.150 nan 0.000 0.498 50 E N 0.482 120.647 120.200 -0.057 0.000 3.863 50 E HA 0.338 4.687 4.350 -0.001 0.000 0.197 50 E C -0.345 176.205 176.600 -0.084 0.000 1.299 50 E CA -0.295 56.072 56.400 -0.054 0.000 1.522 50 E CB 0.157 29.819 29.700 -0.062 0.000 1.732 50 E HN 0.597 nan 8.360 nan 0.000 0.560 51 L N 1.021 122.161 121.223 -0.139 0.000 2.230 51 L HA 0.577 4.916 4.340 -0.001 0.000 0.255 51 L C -0.695 176.063 176.870 -0.186 0.000 1.039 51 L CA -0.997 53.742 54.840 -0.169 0.000 0.846 51 L CB 1.903 43.862 42.059 -0.166 0.000 1.419 51 L HN 0.061 nan 8.230 nan 0.000 0.435 52 I N 1.251 121.695 120.570 -0.210 0.000 2.433 52 I HA 0.432 4.601 4.170 -0.001 0.000 0.292 52 I C -0.395 175.670 176.117 -0.088 0.000 1.001 52 I CA -0.833 60.371 61.300 -0.161 0.000 1.119 52 I CB 2.008 39.864 38.000 -0.240 0.000 1.289 52 I HN 0.238 nan 8.210 nan 0.000 0.438 53 V N 4.322 124.225 119.914 -0.017 0.000 3.096 53 V HA 0.794 4.913 4.120 -0.001 0.000 0.319 53 V C -0.815 175.339 176.094 0.100 0.000 1.103 53 V CA -0.780 61.549 62.300 0.049 0.000 1.016 53 V CB 2.108 34.000 31.823 0.115 0.000 1.090 53 V HN 0.629 nan 8.190 nan 0.000 0.449 54 L N 1.234 122.519 121.223 0.103 0.000 2.465 54 L HA 0.823 5.163 4.340 -0.001 0.000 0.257 54 L C -0.827 176.068 176.870 0.041 0.000 0.988 54 L CA -0.474 54.351 54.840 -0.024 0.000 0.827 54 L CB 2.369 44.331 42.059 -0.163 0.000 1.397 54 L HN 0.869 nan 8.230 nan 0.000 0.410 55 R N 2.697 123.191 120.500 -0.010 0.000 2.574 55 R HA 0.511 4.851 4.340 -0.001 0.000 0.288 55 R C -1.287 175.109 176.300 0.159 0.000 1.004 55 R CA -0.908 55.214 56.100 0.036 0.000 0.895 55 R CB 2.463 32.688 30.300 -0.125 0.000 1.191 55 R HN 0.628 nan 8.270 nan 0.000 0.444 56 R N 1.478 122.053 120.500 0.126 0.000 2.265 56 R HA 0.421 4.760 4.340 -0.001 0.000 0.319 56 R C -0.738 175.525 176.300 -0.062 0.000 1.006 56 R CA -0.294 55.828 56.100 0.037 0.000 0.880 56 R CB 1.487 31.767 30.300 -0.034 0.000 1.077 56 R HN 0.817 nan 8.270 nan 0.000 0.454 57 G N 3.301 111.821 108.800 -0.467 0.000 2.478 57 G HA2 0.265 4.224 3.960 -0.001 0.000 0.317 57 G HA3 0.265 4.224 3.960 -0.001 0.000 0.317 57 G C -1.111 173.360 174.900 -0.714 0.000 1.259 57 G CA -0.533 43.880 45.100 -1.145 0.000 0.933 57 G HN 0.603 nan 8.290 nan 0.000 0.478 58 D N 1.041 121.144 120.400 -0.494 0.000 2.280 58 D HA 0.159 4.798 4.640 -0.001 0.000 0.236 58 D C -0.645 175.528 176.300 -0.211 0.000 1.082 58 D CA -0.176 53.658 54.000 -0.276 0.000 0.834 58 D CB 2.118 42.804 40.800 -0.190 0.000 1.100 58 D HN 0.388 nan 8.370 nan 0.000 0.486 59 Y N 1.635 121.810 120.300 -0.208 0.000 2.442 59 Y HA 0.084 4.634 4.550 -0.001 0.000 0.330 59 Y C -0.029 175.818 175.900 -0.087 0.000 1.129 59 Y CA -0.016 58.011 58.100 -0.122 0.000 1.365 59 Y CB 0.688 39.129 38.460 -0.032 0.000 1.233 59 Y HN 0.227 nan 8.280 nan 0.000 0.529 60 D N 4.814 124.876 120.400 -0.563 0.000 2.392 60 D HA 0.419 5.059 4.640 -0.001 0.000 0.228 60 D C 0.507 176.489 176.300 -0.530 0.000 1.074 60 D CA 0.224 53.993 54.000 -0.386 0.000 0.838 60 D CB 1.343 41.966 40.800 -0.294 0.000 1.067 60 D HN 0.721 nan 8.370 nan 0.000 0.511 61 A N 4.976 127.677 122.820 -0.198 0.000 1.902 61 A HA -0.031 4.288 4.320 -0.001 0.000 0.217 61 A C -0.392 177.173 177.584 -0.032 0.000 1.181 61 A CA 0.971 53.000 52.037 -0.014 0.000 0.623 61 A CB -1.256 17.818 19.000 0.124 0.000 0.818 61 A HN 0.581 nan 8.150 nan 0.000 0.443 62 P HA -0.125 nan 4.420 nan 0.000 0.215 62 P C 1.444 178.705 177.300 -0.065 0.000 1.153 62 P CA 2.097 65.173 63.100 -0.040 0.000 0.853 62 P CB -0.140 31.528 31.700 -0.055 0.000 0.788 63 T N -5.076 109.367 114.554 -0.185 0.000 3.069 63 T HA 0.009 4.358 4.350 -0.001 0.000 0.252 63 T C 0.611 174.896 174.700 -0.692 0.000 1.053 63 T CA -0.132 61.758 62.100 -0.349 0.000 0.964 63 T CB -1.081 67.607 68.868 -0.300 0.000 1.005 63 T HN 0.374 nan 8.240 nan 0.000 0.532 64 H N 1.315 120.224 119.070 -0.269 0.000 2.604 64 H HA -0.133 4.422 4.556 -0.001 0.000 0.321 64 H C -1.235 173.943 175.328 -0.250 0.000 1.132 64 H CA 0.515 56.377 56.048 -0.309 0.000 1.129 64 H CB -2.494 27.276 29.762 0.015 0.000 1.526 64 H HN 0.482 nan 8.280 nan 0.000 0.415 65 Q N 0.161 119.693 119.800 -0.447 0.000 2.421 65 Q HA 0.619 4.958 4.340 -0.001 0.000 0.280 65 Q C -0.297 175.551 176.000 -0.253 0.000 1.085 65 Q CA -1.028 54.645 55.803 -0.216 0.000 0.807 65 Q CB 3.227 31.849 28.738 -0.194 0.000 1.405 65 Q HN 0.187 nan 8.270 nan 0.000 0.419 66 V N 1.732 121.604 119.914 -0.070 0.000 2.398 66 V HA 0.278 4.398 4.120 -0.001 0.000 0.286 66 V C -0.196 175.717 176.094 -0.303 0.000 1.026 66 V CA -0.530 61.628 62.300 -0.236 0.000 0.868 66 V CB 1.573 33.202 31.823 -0.324 0.000 0.982 66 V HN 0.650 nan 8.190 nan 0.000 0.443 67 Q N 4.214 123.804 119.800 -0.351 0.000 2.314 67 Q HA 0.358 4.697 4.340 -0.001 0.000 0.259 67 Q C -1.621 174.190 176.000 -0.315 0.000 0.951 67 Q CA -0.533 55.139 55.803 -0.218 0.000 0.909 67 Q CB 1.019 29.672 28.738 -0.141 0.000 1.236 67 Q HN 0.699 nan 8.270 nan 0.000 0.444 68 W N 3.081 124.304 121.300 -0.129 0.000 2.351 68 W HA 0.322 4.981 4.660 -0.001 0.000 0.311 68 W C 0.167 176.607 176.519 -0.132 0.000 1.168 68 W CA -0.455 56.794 57.345 -0.160 0.000 1.200 68 W CB 0.940 30.267 29.460 -0.222 0.000 1.221 68 W HN 0.545 nan 8.180 nan 0.000 0.519 69 Q N 1.786 121.638 119.800 0.087 0.000 2.396 69 Q HA 0.528 4.867 4.340 -0.001 0.000 0.221 69 Q C 0.264 176.287 176.000 0.039 0.000 1.025 69 Q CA -0.700 55.124 55.803 0.035 0.000 0.946 69 Q CB 0.608 29.351 28.738 0.008 0.000 1.224 69 Q HN 0.599 nan 8.270 nan 0.000 0.539 70 A N 1.355 124.183 122.820 0.014 0.000 2.498 70 A HA 0.053 4.373 4.320 -0.001 0.000 0.239 70 A C 0.017 177.603 177.584 0.003 0.000 1.068 70 A CA -0.254 51.782 52.037 -0.002 0.000 0.766 70 A CB -0.063 18.940 19.000 0.004 0.000 1.003 70 A HN 0.666 nan 8.150 nan 0.000 0.497 71 Q N 1.466 121.254 119.800 -0.020 0.000 2.421 71 Q HA 0.426 4.766 4.340 -0.001 0.000 0.255 71 Q C -0.272 175.764 176.000 0.059 0.000 1.013 71 Q CA 0.285 56.102 55.803 0.023 0.000 0.895 71 Q CB 0.435 29.199 28.738 0.045 0.000 1.271 71 Q HN 0.778 nan 8.270 nan 0.000 0.460 72 E N -0.093 120.157 120.200 0.082 0.000 2.392 72 E HA 0.444 4.794 4.350 -0.001 0.000 0.279 72 E C -1.430 175.215 176.600 0.075 0.000 0.964 72 E CA -1.081 55.366 56.400 0.078 0.000 0.777 72 E CB 1.412 31.161 29.700 0.082 0.000 1.249 72 E HN 0.405 nan 8.360 nan 0.000 0.449 73 V N 1.776 121.718 119.914 0.047 0.000 2.614 73 V HA 0.066 4.186 4.120 -0.001 0.000 0.291 73 V C 0.204 176.291 176.094 -0.011 0.000 1.049 73 V CA -0.568 61.733 62.300 0.002 0.000 1.038 73 V CB 1.403 33.210 31.823 -0.027 0.000 0.980 73 V HN 0.576 nan 8.190 nan 0.000 0.481 74 V N 5.845 125.703 119.914 -0.095 0.000 2.223 74 V HA 0.140 4.260 4.120 -0.001 0.000 0.249 74 V C 1.463 177.425 176.094 -0.220 0.000 1.233 74 V CA 0.565 62.721 62.300 -0.239 0.000 1.131 74 V CB -0.264 31.250 31.823 -0.515 0.000 1.298 74 V HN 1.103 nan 8.190 nan 0.000 0.498 75 A N 3.337 126.107 122.820 -0.084 0.000 1.940 75 A HA -0.247 4.072 4.320 -0.001 0.000 0.221 75 A C 2.103 179.644 177.584 -0.071 0.000 1.190 75 A CA 1.738 53.742 52.037 -0.054 0.000 0.647 75 A CB -0.258 18.749 19.000 0.011 0.000 0.821 75 A HN 0.662 nan 8.150 nan 0.000 0.457 76 Q N -0.749 119.014 119.800 -0.063 0.000 2.364 76 Q HA 0.037 4.377 4.340 -0.001 0.000 0.207 76 Q C 1.292 177.238 176.000 -0.089 0.000 0.970 76 Q CA 0.908 56.694 55.803 -0.029 0.000 0.888 76 Q CB -0.535 28.248 28.738 0.074 0.000 0.951 76 Q HN 0.629 nan 8.270 nan 0.000 0.469 77 A N 2.469 125.123 122.820 -0.277 0.000 3.048 77 A HA 0.250 4.569 4.320 -0.001 0.000 0.264 77 A C 0.164 177.494 177.584 -0.423 0.000 1.796 77 A CA -0.170 51.581 52.037 -0.476 0.000 1.445 77 A CB -0.816 17.658 19.000 -0.876 0.000 1.074 77 A HN 0.315 nan 8.150 nan 0.000 0.621 78 R N -0.175 120.312 120.500 -0.021 0.000 2.739 78 R HA 0.574 4.913 4.340 -0.001 0.000 0.266 78 R C -2.177 174.186 176.300 0.105 0.000 1.044 78 R CA -0.939 55.203 56.100 0.070 0.000 0.885 78 R CB 0.647 30.931 30.300 -0.027 0.000 1.260 78 R HN 0.144 nan 8.270 nan 0.000 0.477 79 L N 1.769 123.037 121.223 0.075 0.000 2.329 79 L HA 0.395 4.735 4.340 -0.001 0.000 0.279 79 L C -0.390 176.459 176.870 -0.036 0.000 1.014 79 L CA -1.183 53.618 54.840 -0.065 0.000 0.814 79 L CB 1.888 43.754 42.059 -0.322 0.000 1.257 79 L HN 0.637 nan 8.230 nan 0.000 0.424 80 D N 2.680 123.065 120.400 -0.025 0.000 2.531 80 D HA 0.084 4.724 4.640 -0.001 0.000 0.239 80 D C 1.129 177.503 176.300 0.122 0.000 1.144 80 D CA 1.437 55.458 54.000 0.035 0.000 0.869 80 D CB 1.144 41.959 40.800 0.025 0.000 1.160 80 D HN 0.904 nan 8.370 nan 0.000 0.484 81 G N 2.344 111.234 108.800 0.150 0.000 2.179 81 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.260 81 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.260 81 G C 0.196 175.265 174.900 0.282 0.000 0.977 81 G CA 0.138 45.360 45.100 0.204 0.000 0.641 81 G HN 0.742 nan 8.290 nan 0.000 0.533 82 H N -0.122 118.968 119.070 0.033 0.000 2.621 82 H HA 0.545 5.100 4.556 -0.001 0.000 0.360 82 H C 0.461 175.812 175.328 0.038 0.000 1.163 82 H CA -0.746 55.325 56.048 0.039 0.000 1.194 82 H CB 1.290 31.085 29.762 0.055 0.000 1.649 82 H HN 0.488 nan 8.280 nan 0.000 0.532 83 R N 0.804 121.390 120.500 0.144 0.000 2.428 83 R HA 0.458 4.798 4.340 -0.001 0.000 0.294 83 R C -0.972 175.393 176.300 0.109 0.000 1.000 83 R CA -0.721 55.427 56.100 0.081 0.000 0.960 83 R CB 1.071 31.391 30.300 0.034 0.000 1.076 83 R HN 0.296 nan 8.270 nan 0.000 0.475 84 S N 3.477 119.216 115.700 0.065 0.000 2.525 84 S HA 0.483 4.952 4.470 -0.001 0.000 0.278 84 S C -0.248 174.383 174.600 0.051 0.000 1.234 84 S CA -0.625 57.634 58.200 0.098 0.000 1.058 84 S CB 0.907 64.036 63.200 -0.120 0.000 0.983 84 S HN 0.543 nan 8.310 nan 0.000 0.495 85 M N 1.758 121.434 119.600 0.127 0.000 2.664 85 M HA 0.456 4.935 4.480 -0.001 0.000 0.279 85 M C -0.473 175.902 176.300 0.124 0.000 1.275 85 M CA -0.750 54.594 55.300 0.074 0.000 0.829 85 M CB 1.379 34.004 32.600 0.041 0.000 1.727 85 M HN 0.610 nan 8.290 nan 0.000 0.459 86 N N 1.326 120.086 118.700 0.099 0.000 2.671 86 N HA -0.095 4.644 4.740 -0.001 0.000 0.261 86 N C -2.601 173.000 175.510 0.151 0.000 1.053 86 N CA 0.063 53.193 53.050 0.133 0.000 0.732 86 N CB -1.092 37.473 38.487 0.130 0.000 0.887 86 N HN 0.343 nan 8.380 nan 0.000 0.546 87 P HA 0.090 nan 4.420 nan 0.000 0.267 87 P C -0.277 177.080 177.300 0.095 0.000 1.205 87 P CA 0.103 63.237 63.100 0.058 0.000 0.765 87 P CB 0.659 32.360 31.700 0.001 0.000 0.828 88 C N 6.370 125.734 119.300 0.108 0.000 2.801 88 C HA 0.353 4.813 4.460 -0.001 0.000 0.296 88 C C -2.064 173.043 174.990 0.195 0.000 1.054 88 C CA -1.606 57.523 59.018 0.184 0.000 1.442 88 C CB 1.288 29.169 27.740 0.235 0.000 1.860 88 C HN 0.503 nan 8.230 nan 0.000 0.459 89 P HA 0.593 nan 4.420 nan 0.000 0.281 89 P C -1.087 176.415 177.300 0.337 0.000 1.249 89 P CA -0.231 62.944 63.100 0.125 0.000 0.810 89 P CB 1.982 33.745 31.700 0.104 0.000 1.008 90 L N 2.578 124.035 121.223 0.389 0.000 2.611 90 L HA 0.437 4.777 4.340 -0.001 0.000 0.260 90 L C -2.052 175.139 176.870 0.536 0.000 0.924 90 L CA -0.857 54.254 54.840 0.452 0.000 0.901 90 L CB 1.554 43.893 42.059 0.467 0.000 1.369 90 L HN 0.275 nan 8.230 nan 0.000 0.415 91 Y N 3.727 124.235 120.300 0.345 0.000 2.331 91 Y HA 0.504 5.054 4.550 -0.001 0.000 0.338 91 Y C -0.466 175.620 175.900 0.310 0.000 0.992 91 Y CA -0.576 57.719 58.100 0.325 0.000 1.121 91 Y CB 1.234 39.840 38.460 0.242 0.000 1.184 91 Y HN 0.678 nan 8.280 nan 0.000 0.469 92 D N 4.992 125.306 120.400 -0.144 0.000 2.411 92 D HA 0.243 4.882 4.640 -0.001 0.000 0.225 92 D C 0.676 176.726 176.300 -0.418 0.000 1.156 92 D CA 0.298 54.250 54.000 -0.081 0.000 0.874 92 D CB 1.391 42.292 40.800 0.169 0.000 1.034 92 D HN 0.838 nan 8.370 nan 0.000 0.502 93 A N 3.992 126.710 122.820 -0.169 0.000 2.076 93 A HA -0.196 4.123 4.320 -0.001 0.000 0.220 93 A C 1.897 179.453 177.584 -0.046 0.000 1.160 93 A CA 1.284 53.285 52.037 -0.060 0.000 0.653 93 A CB -0.115 18.959 19.000 0.124 0.000 0.801 93 A HN 0.667 nan 8.150 nan 0.000 0.455 94 Q N -1.263 118.511 119.800 -0.043 0.000 2.163 94 Q HA -0.073 4.267 4.340 -0.001 0.000 0.198 94 Q C 2.153 178.078 176.000 -0.126 0.000 0.954 94 Q CA 1.650 57.419 55.803 -0.057 0.000 0.851 94 Q CB -0.070 28.644 28.738 -0.039 0.000 0.928 94 Q HN 0.851 nan 8.270 nan 0.000 0.459 95 T N -3.998 110.457 114.554 -0.166 0.000 3.037 95 T HA 0.229 4.578 4.350 -0.001 0.000 0.251 95 T C 1.337 175.955 174.700 -0.136 0.000 1.079 95 T CA 0.581 62.587 62.100 -0.158 0.000 1.067 95 T CB 0.555 69.340 68.868 -0.139 0.000 0.948 95 T HN 0.389 nan 8.240 nan 0.000 0.496 96 G N 1.215 109.894 108.800 -0.203 0.000 2.147 96 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.244 96 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.244 96 G C 0.054 174.875 174.900 -0.132 0.000 1.005 96 G CA 0.251 45.268 45.100 -0.138 0.000 0.713 96 G HN 0.724 nan 8.290 nan 0.000 0.515 97 T N 0.609 115.028 114.554 -0.225 0.000 2.767 97 T HA 0.557 4.907 4.350 -0.001 0.000 0.284 97 T C -0.065 174.600 174.700 -0.058 0.000 0.973 97 T CA -0.398 61.606 62.100 -0.161 0.000 0.996 97 T CB 2.074 70.818 68.868 -0.206 0.000 0.927 97 T HN 0.581 nan 8.240 nan 0.000 0.456 98 L N 4.462 125.717 121.223 0.053 0.000 2.275 98 L HA 0.640 4.980 4.340 -0.001 0.000 0.288 98 L C -1.436 175.496 176.870 0.104 0.000 1.046 98 L CA -0.411 54.611 54.840 0.303 0.000 0.805 98 L CB -0.048 42.183 42.059 0.286 0.000 1.193 98 L HN 0.509 nan 8.230 nan 0.000 0.426 99 F N 5.534 125.603 119.950 0.198 0.000 2.480 99 F HA 0.583 5.109 4.527 -0.001 0.000 0.329 99 F C -0.430 175.297 175.800 -0.122 0.000 1.091 99 F CA -0.616 57.358 58.000 -0.043 0.000 0.972 99 F CB 1.859 40.668 39.000 -0.319 0.000 1.150 99 F HN 0.338 nan 8.300 nan 0.000 0.467 100 L N 4.845 126.032 121.223 -0.059 0.000 2.415 100 L HA 0.564 4.903 4.340 -0.001 0.000 0.268 100 L C -1.645 175.160 176.870 -0.107 0.000 0.984 100 L CA -0.380 54.352 54.840 -0.181 0.000 0.853 100 L CB 0.093 41.937 42.059 -0.358 0.000 1.215 100 L HN 0.316 nan 8.230 nan 0.000 0.419 101 F N 5.633 125.680 119.950 0.162 0.000 2.377 101 F HA 0.766 5.292 4.527 -0.001 0.000 0.328 101 F C 0.146 176.067 175.800 0.202 0.000 1.094 101 F CA -0.247 57.804 58.000 0.084 0.000 1.093 101 F CB 1.223 40.183 39.000 -0.067 0.000 1.214 101 F HN 0.468 nan 8.300 nan 0.000 0.518 102 F N 0.287 120.301 119.950 0.107 0.000 2.858 102 F HA 0.710 5.236 4.527 -0.001 0.000 0.319 102 F C -1.644 174.176 175.800 0.034 0.000 1.166 102 F CA -2.004 56.017 58.000 0.035 0.000 0.899 102 F CB 0.952 39.936 39.000 -0.026 0.000 1.332 102 F HN 0.397 nan 8.300 nan 0.000 0.461 103 I N 0.583 121.228 120.570 0.124 0.000 2.648 103 I HA 0.980 5.150 4.170 -0.001 0.000 0.304 103 I C -0.884 175.313 176.117 0.132 0.000 1.009 103 I CA -1.209 60.094 61.300 0.005 0.000 1.114 103 I CB 1.946 39.905 38.000 -0.068 0.000 1.293 103 I HN 0.966 nan 8.210 nan 0.000 0.449 104 A N 6.332 129.212 122.820 0.100 0.000 2.343 104 A HA 0.848 5.168 4.320 -0.001 0.000 0.308 104 A C -0.817 176.905 177.584 0.229 0.000 1.092 104 A CA -0.585 51.585 52.037 0.222 0.000 0.751 104 A CB 1.011 20.147 19.000 0.226 0.000 1.203 104 A HN 0.716 nan 8.150 nan 0.000 0.452 105 I N 2.744 123.396 120.570 0.137 0.000 2.498 105 I HA 0.334 4.503 4.170 -0.001 0.000 0.290 105 I C -2.534 173.473 176.117 -0.183 0.000 1.032 105 I CA -2.486 58.806 61.300 -0.014 0.000 1.073 105 I CB 2.604 40.580 38.000 -0.041 0.000 1.251 105 I HN 0.363 nan 8.210 nan 0.000 0.426 106 P HA -0.008 nan 4.420 nan 0.000 0.261 106 P C 0.847 178.027 177.300 -0.200 0.000 1.183 106 P CA 0.837 63.639 63.100 -0.498 0.000 0.761 106 P CB 0.494 31.969 31.700 -0.375 0.000 0.785 107 G N 4.299 113.022 108.800 -0.129 0.000 2.700 107 G HA2 -0.369 3.591 3.960 -0.001 0.000 0.350 107 G HA3 -0.369 3.591 3.960 -0.001 0.000 0.350 107 G C 0.452 175.330 174.900 -0.037 0.000 1.250 107 G CA 0.531 45.602 45.100 -0.049 0.000 0.978 107 G HN 0.598 nan 8.290 nan 0.000 0.551 108 Q N -0.403 119.376 119.800 -0.035 0.000 2.157 108 Q HA 0.440 4.779 4.340 -0.001 0.000 0.229 108 Q C 0.132 176.094 176.000 -0.064 0.000 0.827 108 Q CA -0.388 55.391 55.803 -0.041 0.000 1.055 108 Q CB 1.370 30.098 28.738 -0.015 0.000 1.157 108 Q HN 0.350 nan 8.270 nan 0.000 0.482 109 V N 2.963 122.837 119.914 -0.066 0.000 2.509 109 V HA -0.057 4.062 4.120 -0.001 0.000 0.297 109 V C 1.067 177.116 176.094 -0.075 0.000 1.014 109 V CA 0.599 62.859 62.300 -0.066 0.000 1.127 109 V CB 0.060 31.844 31.823 -0.066 0.000 0.925 109 V HN 0.393 nan 8.190 nan 0.000 0.480 110 T N 1.981 116.488 114.554 -0.078 0.000 2.816 110 T HA 0.164 4.513 4.350 -0.001 0.000 0.282 110 T C 0.941 175.591 174.700 -0.084 0.000 0.993 110 T CA 0.033 62.081 62.100 -0.087 0.000 0.994 110 T CB 1.146 69.959 68.868 -0.091 0.000 1.025 110 T HN 0.681 nan 8.240 nan 0.000 0.529 111 Q N -0.427 119.321 119.800 -0.087 0.000 2.123 111 Q HA -0.158 4.182 4.340 -0.001 0.000 0.199 111 Q C 2.241 178.165 176.000 -0.127 0.000 0.966 111 Q CA 0.798 56.543 55.803 -0.097 0.000 0.845 111 Q CB -0.139 28.558 28.738 -0.069 0.000 0.907 111 Q HN 0.695 nan 8.270 nan 0.000 0.439 112 Q N 0.684 120.419 119.800 -0.110 0.000 2.077 112 Q HA -0.235 4.105 4.340 -0.001 0.000 0.206 112 Q C 1.987 177.927 176.000 -0.100 0.000 0.989 112 Q CA 2.003 57.740 55.803 -0.110 0.000 0.853 112 Q CB -0.149 28.539 28.738 -0.083 0.000 0.907 112 Q HN 0.556 nan 8.270 nan 0.000 0.418 113 Q N -0.147 119.605 119.800 -0.081 0.000 2.061 113 Q HA -0.207 4.132 4.340 -0.001 0.000 0.204 113 Q C 2.189 178.150 176.000 -0.065 0.000 0.984 113 Q CA 1.612 57.377 55.803 -0.065 0.000 0.846 113 Q CB -0.094 28.612 28.738 -0.054 0.000 0.902 113 Q HN 0.464 nan 8.270 nan 0.000 0.421 114 Q N 0.105 119.860 119.800 -0.074 0.000 2.124 114 Q HA -0.138 4.201 4.340 -0.001 0.000 0.202 114 Q C 2.122 178.068 176.000 -0.090 0.000 0.977 114 Q CA 0.978 56.742 55.803 -0.066 0.000 0.850 114 Q CB -0.049 28.651 28.738 -0.065 0.000 0.901 114 Q HN 0.391 nan 8.270 nan 0.000 0.429 115 L N 0.227 121.361 121.223 -0.148 0.000 2.044 115 L HA -0.203 4.136 4.340 -0.001 0.000 0.205 115 L C 2.370 179.173 176.870 -0.112 0.000 1.075 115 L CA 1.242 55.966 54.840 -0.193 0.000 0.747 115 L CB -0.356 41.514 42.059 -0.314 0.000 0.903 115 L HN 0.263 nan 8.230 nan 0.000 0.435 116 Q N -0.724 119.022 119.800 -0.090 0.000 2.224 116 Q HA -0.152 4.187 4.340 -0.001 0.000 0.203 116 Q C 1.861 177.839 176.000 -0.036 0.000 0.970 116 Q CA 1.870 57.639 55.803 -0.057 0.000 0.865 116 Q CB -0.090 28.618 28.738 -0.050 0.000 0.922 116 Q HN 0.608 nan 8.270 nan 0.000 0.445 117 T N -3.509 111.024 114.554 -0.035 0.000 3.069 117 T HA 0.221 4.571 4.350 -0.001 0.000 0.252 117 T C 0.411 175.106 174.700 -0.009 0.000 1.053 117 T CA -0.431 61.658 62.100 -0.018 0.000 0.964 117 T CB 0.233 69.092 68.868 -0.015 0.000 1.005 117 T HN 0.169 nan 8.240 nan 0.000 0.532 118 R N 0.441 120.932 120.500 -0.015 0.000 3.516 118 R HA -0.131 4.208 4.340 -0.001 0.000 0.271 118 R C -0.216 176.090 176.300 0.011 0.000 1.098 118 R CA 0.481 56.583 56.100 0.002 0.000 0.732 118 R CB -2.226 28.083 30.300 0.014 0.000 1.152 118 R HN 0.667 nan 8.270 nan 0.000 0.455 119 A N 1.016 123.838 122.820 0.003 0.000 2.332 119 A HA 0.460 4.780 4.320 -0.001 0.000 0.300 119 A C -0.498 177.096 177.584 0.016 0.000 1.153 119 A CA -0.681 51.366 52.037 0.018 0.000 0.764 119 A CB 1.098 20.112 19.000 0.022 0.000 1.174 119 A HN 0.192 nan 8.150 nan 0.000 0.467 120 N N 1.815 120.519 118.700 0.006 0.000 2.444 120 N HA 0.366 5.105 4.740 -0.001 0.000 0.271 120 N C 0.331 175.929 175.510 0.147 0.000 1.069 120 N CA 0.155 53.189 53.050 -0.028 0.000 0.965 120 N CB 1.517 39.806 38.487 -0.329 0.000 1.092 120 N HN 0.796 nan 8.380 nan 0.000 0.476 121 V N -0.220 119.795 119.914 0.169 0.000 3.276 121 V HA 0.360 4.479 4.120 -0.001 0.000 0.319 121 V C 0.260 176.498 176.094 0.239 0.000 1.476 121 V CA -0.401 62.041 62.300 0.237 0.000 1.097 121 V CB -0.288 31.592 31.823 0.095 0.000 0.988 121 V HN 0.430 nan 8.190 nan 0.000 0.473 122 T N 3.383 118.084 114.554 0.244 0.000 2.897 122 T HA 0.524 4.873 4.350 -0.001 0.000 0.294 122 T C -0.058 174.874 174.700 0.387 0.000 1.004 122 T CA -0.132 62.039 62.100 0.118 0.000 1.106 122 T CB 0.993 69.653 68.868 -0.346 0.000 0.949 122 T HN 0.363 nan 8.240 nan 0.000 0.520 123 R N 1.868 122.522 120.500 0.258 0.000 2.589 123 R HA 0.468 4.807 4.340 -0.001 0.000 0.293 123 R C -1.004 175.403 176.300 0.179 0.000 0.963 123 R CA -1.030 55.226 56.100 0.260 0.000 0.905 123 R CB 1.911 32.301 30.300 0.149 0.000 1.144 123 R HN 0.365 nan 8.270 nan 0.000 0.459 124 L N 2.879 124.197 121.223 0.158 0.000 2.264 124 L HA 0.401 4.741 4.340 -0.001 0.000 0.289 124 L C -0.887 175.830 176.870 -0.255 0.000 1.044 124 L CA -0.072 54.745 54.840 -0.037 0.000 0.807 124 L CB 0.735 42.718 42.059 -0.126 0.000 1.192 124 L HN 0.663 nan 8.230 nan 0.000 0.425 125 C N 3.373 122.379 119.300 -0.489 0.000 3.161 125 C HA 0.946 5.406 4.460 -0.001 0.000 0.330 125 C C -0.462 174.172 174.990 -0.594 0.000 1.396 125 C CA -0.667 57.966 59.018 -0.642 0.000 1.536 125 C CB 1.978 29.116 27.740 -1.003 0.000 1.978 125 C HN 0.913 nan 8.230 nan 0.000 0.454 126 Q N -0.071 119.535 119.800 -0.324 0.000 2.702 126 Q HA 0.780 5.120 4.340 -0.001 0.000 0.289 126 Q C -1.734 174.367 176.000 0.169 0.000 0.923 126 Q CA -0.726 55.082 55.803 0.009 0.000 0.787 126 Q CB 1.654 30.439 28.738 0.079 0.000 1.476 126 Q HN 1.053 nan 8.270 nan 0.000 0.402 127 V N -2.070 117.950 119.914 0.177 0.000 3.087 127 V HA 0.947 5.066 4.120 -0.001 0.000 0.306 127 V C -0.648 175.586 176.094 0.233 0.000 1.187 127 V CA 0.035 62.450 62.300 0.192 0.000 0.999 127 V CB 1.529 33.430 31.823 0.131 0.000 1.049 127 V HN 1.142 nan 8.190 nan 0.000 0.431 128 T N -0.630 114.065 114.554 0.236 0.000 2.916 128 T HA 0.862 5.211 4.350 -0.001 0.000 0.292 128 T C -0.385 174.326 174.700 0.017 0.000 1.064 128 T CA -0.343 61.779 62.100 0.037 0.000 1.011 128 T CB 1.768 70.444 68.868 -0.319 0.000 1.152 128 T HN 1.681 nan 8.240 nan 0.000 0.510 129 S N -0.264 115.271 115.700 -0.275 0.000 2.536 129 S HA 0.580 5.049 4.470 -0.001 0.000 0.271 129 S C 0.423 174.832 174.600 -0.317 0.000 1.134 129 S CA -0.125 57.791 58.200 -0.473 0.000 0.897 129 S CB 1.569 64.074 63.200 -1.160 0.000 1.094 129 S HN 1.187 nan 8.310 nan 0.000 0.473 130 T N -0.405 113.985 114.554 -0.273 0.000 3.085 130 T HA 0.267 4.617 4.350 -0.001 0.000 0.264 130 T C -0.139 174.392 174.700 -0.283 0.000 1.019 130 T CA 0.158 62.125 62.100 -0.221 0.000 0.910 130 T CB -0.348 68.422 68.868 -0.162 0.000 1.059 130 T HN 0.612 nan 8.240 nan 0.000 0.542 131 D N 0.179 120.386 120.400 -0.323 0.000 2.891 131 D HA 0.118 4.757 4.640 -0.001 0.000 0.332 131 D C -0.103 176.032 176.300 -0.274 0.000 1.369 131 D CA -0.824 52.982 54.000 -0.324 0.000 0.827 131 D CB -0.927 39.750 40.800 -0.206 0.000 1.141 131 D HN 0.244 nan 8.370 nan 0.000 0.464 132 H N 0.457 119.423 119.070 -0.173 0.000 2.713 132 H HA -0.121 4.434 4.556 -0.001 0.000 0.311 132 H C 1.550 176.751 175.328 -0.211 0.000 1.175 132 H CA 1.201 57.144 56.048 -0.175 0.000 1.143 132 H CB -1.606 28.067 29.762 -0.149 0.000 1.434 132 H HN 0.751 nan 8.280 nan 0.000 0.418 133 G N -0.659 107.931 108.800 -0.351 0.000 2.175 133 G HA2 -0.415 3.544 3.960 -0.001 0.000 0.244 133 G HA3 -0.415 3.544 3.960 -0.001 0.000 0.244 133 G C 1.204 175.961 174.900 -0.237 0.000 0.982 133 G CA 0.871 45.733 45.100 -0.397 0.000 0.641 133 G HN 0.631 nan 8.290 nan 0.000 0.527 134 R N 0.984 121.362 120.500 -0.203 0.000 2.075 134 R HA 0.094 4.433 4.340 -0.001 0.000 0.232 134 R C 1.253 177.497 176.300 -0.093 0.000 1.126 134 R CA 2.190 58.233 56.100 -0.095 0.000 0.963 134 R CB -0.149 30.102 30.300 -0.082 0.000 0.858 134 R HN 0.736 nan 8.270 nan 0.000 0.435 135 T N -3.241 111.181 114.554 -0.220 0.000 2.909 135 T HA 0.479 4.829 4.350 -0.001 0.000 0.299 135 T C -1.319 173.212 174.700 -0.280 0.000 1.073 135 T CA -0.953 61.075 62.100 -0.121 0.000 0.999 135 T CB 1.356 70.186 68.868 -0.064 0.000 1.098 135 T HN 0.221 nan 8.240 nan 0.000 0.477 136 W N 1.319 122.627 121.300 0.014 0.000 2.781 136 W HA 0.646 5.305 4.660 -0.001 0.000 0.345 136 W C 0.722 177.242 176.519 0.002 0.000 1.085 136 W CA -0.703 56.648 57.345 0.011 0.000 1.198 136 W CB 2.010 31.486 29.460 0.026 0.000 1.423 136 W HN 1.009 nan 8.180 nan 0.000 0.532 137 S N 0.417 116.270 115.700 0.255 0.000 2.641 137 S HA 0.501 4.970 4.470 -0.001 0.000 0.261 137 S C 0.210 174.901 174.600 0.151 0.000 1.257 137 S CA -0.785 57.501 58.200 0.143 0.000 0.983 137 S CB 0.647 63.901 63.200 0.090 0.000 0.990 137 S HN 0.346 nan 8.310 nan 0.000 0.572 138 S N 2.962 118.722 115.700 0.099 0.000 2.585 138 S HA 0.355 4.825 4.470 -0.001 0.000 0.273 138 S C -2.036 172.621 174.600 0.095 0.000 1.339 138 S CA -0.770 57.480 58.200 0.085 0.000 1.028 138 S CB -0.066 63.169 63.200 0.059 0.000 0.906 138 S HN 0.707 nan 8.310 nan 0.000 0.528 139 P HA 0.222 nan 4.420 nan 0.000 0.274 139 P C -0.865 176.474 177.300 0.065 0.000 1.237 139 P CA -0.439 62.729 63.100 0.113 0.000 0.793 139 P CB 0.599 32.389 31.700 0.150 0.000 0.977 140 R N 1.302 121.829 120.500 0.046 0.000 2.532 140 R HA 0.250 4.589 4.340 -0.001 0.000 0.297 140 R C -1.010 175.265 176.300 -0.041 0.000 0.984 140 R CA -0.577 55.535 56.100 0.021 0.000 0.884 140 R CB 1.074 31.413 30.300 0.065 0.000 1.182 140 R HN 0.351 nan 8.270 nan 0.000 0.442 141 D N 5.340 125.708 120.400 -0.053 0.000 2.339 141 D HA 0.116 4.755 4.640 -0.001 0.000 0.241 141 D C 0.661 176.915 176.300 -0.077 0.000 1.183 141 D CA -0.149 53.795 54.000 -0.093 0.000 0.859 141 D CB 1.137 41.887 40.800 -0.084 0.000 1.067 141 D HN 0.605 nan 8.370 nan 0.000 0.484 142 L N 2.822 123.972 121.223 -0.122 0.000 2.607 142 L HA 0.033 4.372 4.340 -0.001 0.000 0.228 142 L C 2.141 178.924 176.870 -0.146 0.000 1.123 142 L CA -0.076 54.684 54.840 -0.134 0.000 0.890 142 L CB -0.082 41.812 42.059 -0.274 0.000 1.103 142 L HN 0.308 nan 8.230 nan 0.000 0.468 143 T N -0.021 114.463 114.554 -0.118 0.000 2.597 143 T HA -0.228 4.122 4.350 -0.001 0.000 0.267 143 T C 1.351 175.984 174.700 -0.111 0.000 1.053 143 T CA 2.058 64.099 62.100 -0.097 0.000 1.165 143 T CB -0.188 68.629 68.868 -0.085 0.000 0.863 143 T HN 0.333 nan 8.240 nan 0.000 0.427 144 D N 1.320 121.655 120.400 -0.109 0.000 2.092 144 D HA -0.038 4.601 4.640 -0.001 0.000 0.193 144 D C 2.281 178.556 176.300 -0.041 0.000 0.994 144 D CA 1.466 55.411 54.000 -0.091 0.000 0.828 144 D CB -0.583 40.173 40.800 -0.072 0.000 0.963 144 D HN 0.450 nan 8.370 nan 0.000 0.450 145 A N -0.071 122.743 122.820 -0.011 0.000 2.119 145 A HA 0.245 4.564 4.320 -0.001 0.000 0.216 145 A C 2.036 179.668 177.584 0.080 0.000 1.152 145 A CA 1.623 53.686 52.037 0.043 0.000 0.708 145 A CB -0.088 18.962 19.000 0.084 0.000 0.805 145 A HN 0.235 nan 8.150 nan 0.000 0.460 146 A N -1.210 121.627 122.820 0.029 0.000 2.108 146 A HA 0.459 4.779 4.320 -0.001 0.000 0.206 146 A C 1.739 179.423 177.584 0.166 0.000 1.212 146 A CA 0.696 52.781 52.037 0.080 0.000 0.843 146 A CB 0.061 18.933 19.000 -0.213 0.000 0.902 146 A HN 0.367 nan 8.150 nan 0.000 0.477 147 I N -2.068 118.532 120.570 0.050 0.000 3.565 147 I HA 0.228 4.398 4.170 -0.001 0.000 0.287 147 I C 2.030 178.089 176.117 -0.097 0.000 1.193 147 I CA 0.557 61.854 61.300 -0.005 0.000 1.402 147 I CB -0.345 37.631 38.000 -0.040 0.000 1.284 147 I HN 0.384 nan 8.210 nan 0.000 0.454 148 G N 3.023 111.781 108.800 -0.071 0.000 2.700 148 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.350 148 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.350 148 G C -1.105 173.742 174.900 -0.088 0.000 1.250 148 G CA 1.075 46.128 45.100 -0.078 0.000 0.978 148 G HN 0.207 nan 8.290 nan 0.000 0.551 149 P HA 0.058 nan 4.420 nan 0.000 0.218 149 P C 1.957 179.157 177.300 -0.166 0.000 1.146 149 P CA 2.711 65.756 63.100 -0.092 0.000 0.813 149 P CB -0.291 31.369 31.700 -0.066 0.000 0.778 150 A N -2.269 120.371 122.820 -0.301 0.000 2.119 150 A HA -0.144 4.176 4.320 -0.001 0.000 0.216 150 A C 2.002 179.076 177.584 -0.850 0.000 1.152 150 A CA 0.531 52.209 52.037 -0.599 0.000 0.708 150 A CB -1.578 16.934 19.000 -0.814 0.000 0.805 150 A HN 0.092 nan 8.150 nan 0.000 0.460 151 Y N 1.825 121.742 120.300 -0.638 0.000 2.102 151 Y HA -0.351 4.198 4.550 -0.001 0.000 0.280 151 Y C 2.543 178.306 175.900 -0.229 0.000 1.178 151 Y CA 2.567 60.414 58.100 -0.422 0.000 1.146 151 Y CB -0.137 38.205 38.460 -0.196 0.000 0.968 151 Y HN 0.511 nan 8.280 nan 0.000 0.504 152 R N -0.093 120.365 120.500 -0.070 0.000 2.280 152 R HA -0.057 4.282 4.340 -0.001 0.000 0.207 152 R C 1.339 177.597 176.300 -0.069 0.000 1.043 152 R CA 1.524 57.603 56.100 -0.035 0.000 1.006 152 R CB -0.512 29.794 30.300 0.010 0.000 0.885 152 R HN 0.420 nan 8.270 nan 0.000 0.467 153 E N -0.092 120.008 120.200 -0.167 0.000 2.478 153 E HA 0.016 4.365 4.350 -0.001 0.000 0.194 153 E C -0.484 176.227 176.600 0.184 0.000 1.045 153 E CA 0.055 56.426 56.400 -0.049 0.000 0.868 153 E CB 0.237 29.882 29.700 -0.091 0.000 0.885 153 E HN 0.260 nan 8.360 nan 0.000 0.505 154 W N 0.101 121.373 121.300 -0.046 0.000 2.632 154 W HA 0.302 4.961 4.660 -0.001 0.000 0.328 154 W C 0.953 177.452 176.519 -0.033 0.000 1.044 154 W CA -1.587 55.747 57.345 -0.019 0.000 1.225 154 W CB 1.138 30.604 29.460 0.009 0.000 1.396 154 W HN -0.219 nan 8.180 nan 0.000 0.499 155 S N 0.707 116.553 115.700 0.245 0.000 2.406 155 S HA -0.016 4.454 4.470 -0.001 0.000 0.228 155 S C 0.672 175.326 174.600 0.090 0.000 1.020 155 S CA 1.369 59.631 58.200 0.104 0.000 0.965 155 S CB 0.179 63.398 63.200 0.032 0.000 0.798 155 S HN 0.592 nan 8.310 nan 0.000 0.488 156 T N -0.519 114.159 114.554 0.206 0.000 2.676 156 T HA 0.499 4.849 4.350 -0.001 0.000 0.308 156 T C -2.147 172.740 174.700 0.312 0.000 1.740 156 T CA -0.768 61.442 62.100 0.184 0.000 0.982 156 T CB 0.454 69.325 68.868 0.003 0.000 1.724 156 T HN 0.225 nan 8.240 nan 0.000 0.497 157 F N -0.303 119.670 119.950 0.040 0.000 2.877 157 F HA 0.957 5.483 4.527 -0.001 0.000 0.319 157 F C -1.326 174.332 175.800 -0.236 0.000 1.174 157 F CA -0.547 57.356 58.000 -0.161 0.000 0.903 157 F CB 0.863 39.858 39.000 -0.009 0.000 1.357 157 F HN 1.030 nan 8.300 nan 0.000 0.472 158 A N 0.412 123.008 122.820 -0.373 0.000 2.601 158 A HA 0.734 5.053 4.320 -0.001 0.000 0.291 158 A C -1.671 175.888 177.584 -0.040 0.000 1.075 158 A CA -0.285 51.583 52.037 -0.282 0.000 0.671 158 A CB 1.110 19.941 19.000 -0.282 0.000 1.277 158 A HN 2.054 nan 8.150 nan 0.000 0.417 159 V N -0.550 119.405 119.914 0.068 0.000 2.667 159 V HA 0.920 5.039 4.120 -0.001 0.000 0.308 159 V C 1.028 177.182 176.094 0.100 0.000 1.048 159 V CA 0.326 62.672 62.300 0.078 0.000 0.928 159 V CB 0.432 32.289 31.823 0.057 0.000 1.004 159 V HN 2.930 nan 8.190 nan 0.000 0.444 160 G N 3.759 112.603 108.800 0.074 0.000 2.622 160 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.307 160 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.307 160 G C -1.900 173.091 174.900 0.152 0.000 1.226 160 G CA 0.323 45.478 45.100 0.091 0.000 0.997 160 G HN 1.018 nan 8.290 nan 0.000 0.551 161 P HA 0.516 nan 4.420 nan 0.000 0.274 161 P C 0.518 177.916 177.300 0.163 0.000 1.256 161 P CA 1.523 64.736 63.100 0.187 0.000 0.795 161 P CB 1.016 32.871 31.700 0.259 0.000 1.038 162 G N -0.477 108.438 108.800 0.190 0.000 2.462 162 G HA2 -0.033 3.926 3.960 -0.001 0.000 0.685 162 G HA3 -0.033 3.926 3.960 -0.001 0.000 0.685 162 G C -0.512 174.512 174.900 0.206 0.000 1.295 162 G CA -0.569 44.669 45.100 0.229 0.000 0.941 162 G HN 1.046 nan 8.290 nan 0.000 0.554 163 H N -0.730 118.481 119.070 0.235 0.000 2.948 163 H HA 0.463 5.018 4.556 -0.001 0.000 0.351 163 H C 0.785 176.248 175.328 0.226 0.000 1.079 163 H CA 0.710 56.909 56.048 0.251 0.000 1.407 163 H CB -0.017 29.909 29.762 0.273 0.000 1.373 163 H HN 0.711 nan 8.280 nan 0.000 0.605 164 C N 2.420 121.832 119.300 0.186 0.000 2.536 164 C HA 0.576 5.036 4.460 -0.001 0.000 0.385 164 C C 0.453 175.560 174.990 0.195 0.000 2.253 164 C CA -0.662 58.427 59.018 0.118 0.000 1.823 164 C CB 0.729 28.602 27.740 0.222 0.000 2.000 164 C HN 0.790 nan 8.230 nan 0.000 0.444 165 L N 0.942 122.274 121.223 0.181 0.000 2.431 165 L HA 0.491 4.831 4.340 -0.001 0.000 0.266 165 L C -0.783 176.192 176.870 0.175 0.000 0.978 165 L CA 0.008 54.971 54.840 0.205 0.000 0.822 165 L CB 1.587 43.744 42.059 0.165 0.000 1.310 165 L HN 0.782 nan 8.230 nan 0.000 0.409 166 Q N 4.275 124.184 119.800 0.183 0.000 2.348 166 Q HA 0.585 4.925 4.340 -0.001 0.000 0.265 166 Q C -1.376 174.696 176.000 0.120 0.000 0.998 166 Q CA -0.612 55.273 55.803 0.137 0.000 0.831 166 Q CB 1.262 30.093 28.738 0.155 0.000 1.251 166 Q HN 0.787 nan 8.270 nan 0.000 0.456 167 L N 2.637 123.911 121.223 0.085 0.000 2.475 167 L HA 0.230 4.569 4.340 -0.001 0.000 0.253 167 L C 0.802 177.714 176.870 0.071 0.000 1.198 167 L CA -0.497 54.389 54.840 0.078 0.000 0.814 167 L CB 0.390 42.485 42.059 0.061 0.000 1.134 167 L HN 0.726 nan 8.230 nan 0.000 0.478 168 N N 0.621 119.359 118.700 0.063 0.000 2.376 168 N HA 0.037 4.777 4.740 -0.001 0.000 0.249 168 N C -0.663 174.870 175.510 0.038 0.000 1.140 168 N CA -0.114 52.969 53.050 0.056 0.000 0.870 168 N CB -0.066 38.455 38.487 0.056 0.000 1.124 168 N HN 0.588 nan 8.380 nan 0.000 0.505 169 D N -0.414 120.005 120.400 0.031 0.000 2.383 169 D HA 0.025 4.665 4.640 -0.001 0.000 0.248 169 D C 1.187 177.495 176.300 0.014 0.000 1.170 169 D CA -0.509 53.500 54.000 0.015 0.000 0.977 169 D CB 1.504 42.309 40.800 0.009 0.000 1.120 169 D HN -0.065 nan 8.370 nan 0.000 0.481 170 R N 0.314 120.816 120.500 0.002 0.000 2.117 170 R HA -0.181 4.158 4.340 -0.001 0.000 0.243 170 R C 1.754 178.061 176.300 0.013 0.000 1.143 170 R CA 1.732 57.836 56.100 0.008 0.000 0.968 170 R CB -0.449 29.849 30.300 -0.004 0.000 0.863 170 R HN 0.575 nan 8.270 nan 0.000 0.444 171 A N 0.348 123.163 122.820 -0.009 0.000 2.208 171 A HA 0.079 4.399 4.320 -0.001 0.000 0.209 171 A C 0.132 177.666 177.584 -0.082 0.000 1.161 171 A CA 0.067 52.082 52.037 -0.038 0.000 0.782 171 A CB 0.148 19.116 19.000 -0.054 0.000 0.816 171 A HN 0.330 nan 8.150 nan 0.000 0.477 172 R N 0.164 120.654 120.500 -0.016 0.000 3.267 172 R HA -0.111 4.229 4.340 -0.001 0.000 0.254 172 R C -0.369 175.882 176.300 -0.082 0.000 0.993 172 R CA 0.842 56.943 56.100 0.001 0.000 0.670 172 R CB -3.043 27.311 30.300 0.089 0.000 1.125 172 R HN 0.507 nan 8.270 nan 0.000 0.434 173 S N 0.693 116.359 115.700 -0.057 0.000 2.568 173 S HA 0.242 4.712 4.470 -0.001 0.000 0.282 173 S C 1.137 175.679 174.600 -0.097 0.000 1.338 173 S CA -0.274 57.865 58.200 -0.102 0.000 1.045 173 S CB 0.858 64.078 63.200 0.034 0.000 0.873 173 S HN 0.260 nan 8.310 nan 0.000 0.516 174 L N 2.702 123.811 121.223 -0.190 0.000 2.282 174 L HA 0.551 4.891 4.340 -0.001 0.000 0.288 174 L C -0.749 176.122 176.870 0.000 0.000 1.033 174 L CA -0.761 54.038 54.840 -0.069 0.000 0.807 174 L CB 0.998 42.997 42.059 -0.100 0.000 1.209 174 L HN 0.288 nan 8.230 nan 0.000 0.423 175 V N 4.233 124.196 119.914 0.082 0.000 2.444 175 V HA 0.369 4.488 4.120 -0.001 0.000 0.294 175 V C -0.115 176.026 176.094 0.078 0.000 1.022 175 V CA -0.604 61.752 62.300 0.093 0.000 0.850 175 V CB 2.278 34.151 31.823 0.083 0.000 0.992 175 V HN 0.446 nan 8.190 nan 0.000 0.426 176 V N 7.672 127.615 119.914 0.048 0.000 2.334 176 V HA 0.385 4.505 4.120 -0.001 0.000 0.281 176 V C -2.063 173.989 176.094 -0.069 0.000 1.016 176 V CA -1.782 60.478 62.300 -0.065 0.000 0.832 176 V CB 1.832 33.465 31.823 -0.317 0.000 0.999 176 V HN 0.714 nan 8.190 nan 0.000 0.439 177 P HA 0.489 nan 4.420 nan 0.000 0.271 177 P C -0.472 176.692 177.300 -0.227 0.000 1.218 177 P CA 0.215 63.215 63.100 -0.166 0.000 0.780 177 P CB 1.877 33.513 31.700 -0.106 0.000 0.901 178 A N 2.303 124.863 122.820 -0.435 0.000 2.506 178 A HA 0.805 5.124 4.320 -0.001 0.000 0.305 178 A C -1.884 175.469 177.584 -0.385 0.000 1.166 178 A CA -0.567 51.190 52.037 -0.468 0.000 0.638 178 A CB 0.974 19.524 19.000 -0.751 0.000 1.336 178 A HN 0.667 nan 8.150 nan 0.000 0.493 179 Y N -3.247 116.902 120.300 -0.252 0.000 2.604 179 Y HA 0.837 5.387 4.550 -0.001 0.000 0.331 179 Y C -0.703 175.266 175.900 0.116 0.000 1.158 179 Y CA -0.670 57.444 58.100 0.024 0.000 1.056 179 Y CB 0.855 39.261 38.460 -0.090 0.000 1.330 179 Y HN 1.878 nan 8.280 nan 0.000 0.457 180 A N 1.465 124.279 122.820 -0.010 0.000 2.549 180 A HA 0.694 5.013 4.320 -0.001 0.000 0.297 180 A C -2.468 174.900 177.584 -0.361 0.000 1.061 180 A CA -0.922 50.890 52.037 -0.375 0.000 0.690 180 A CB 1.013 19.200 19.000 -1.355 0.000 1.287 180 A HN 0.743 nan 8.150 nan 0.000 0.402 181 Y N 2.298 122.505 120.300 -0.155 0.000 2.452 181 Y HA 0.316 4.866 4.550 -0.001 0.000 0.348 181 Y C 0.964 176.806 175.900 -0.098 0.000 0.985 181 Y CA 0.096 58.145 58.100 -0.086 0.000 1.214 181 Y CB 0.801 39.260 38.460 -0.001 0.000 1.136 181 Y HN 0.483 nan 8.280 nan 0.000 0.523 182 R N 3.806 124.260 120.500 -0.078 0.000 2.265 182 R HA 0.206 4.546 4.340 -0.001 0.000 0.314 182 R C -0.535 175.785 176.300 0.034 0.000 1.053 182 R CA -0.626 55.440 56.100 -0.057 0.000 0.931 182 R CB 0.716 30.854 30.300 -0.270 0.000 1.024 182 R HN 0.597 nan 8.270 nan 0.000 0.457 183 K N 4.037 124.486 120.400 0.082 0.000 2.171 183 K HA 0.135 4.454 4.320 -0.001 0.000 0.274 183 K C 0.895 177.522 176.600 0.046 0.000 1.110 183 K CA -0.002 56.325 56.287 0.068 0.000 0.952 183 K CB 0.460 33.001 32.500 0.068 0.000 1.309 183 K HN 0.455 nan 8.250 nan 0.000 0.414 184 L N 0.664 121.915 121.223 0.047 0.000 2.425 184 L HA 0.127 4.466 4.340 -0.001 0.000 0.215 184 L C 0.964 177.884 176.870 0.083 0.000 1.065 184 L CA 0.123 54.990 54.840 0.047 0.000 0.842 184 L CB 0.156 42.234 42.059 0.031 0.000 1.033 184 L HN 0.616 nan 8.230 nan 0.000 0.474 185 H N 0.178 119.248 119.070 -0.000 0.000 2.622 185 H HA 0.254 4.809 4.556 -0.001 0.000 0.363 185 H C -2.097 173.233 175.328 0.003 0.000 1.151 185 H CA -1.574 54.474 56.048 0.001 0.000 1.184 185 H CB 2.698 32.460 29.762 -0.000 0.000 1.643 185 H HN -0.229 nan 8.280 nan 0.000 0.531 186 P HA -0.002 nan 4.420 nan 0.000 0.218 186 P C 1.050 178.425 177.300 0.124 0.000 1.149 186 P CA 1.170 64.234 63.100 -0.060 0.000 0.817 186 P CB 0.620 32.214 31.700 -0.177 0.000 0.785 187 I N -2.851 117.977 120.570 0.429 0.000 3.194 187 I HA 0.016 4.186 4.170 -0.001 0.000 0.271 187 I C 0.756 176.970 176.117 0.160 0.000 1.150 187 I CA -0.060 61.406 61.300 0.278 0.000 1.440 187 I CB -0.377 37.776 38.000 0.255 0.000 1.276 187 I HN -0.214 nan 8.210 nan 0.000 0.457 188 Q N 3.353 123.195 119.800 0.070 0.000 2.349 188 Q HA 0.028 4.368 4.340 -0.001 0.000 0.287 188 Q C 0.085 176.094 176.000 0.016 0.000 1.044 188 Q CA 0.206 55.943 55.803 -0.111 0.000 0.918 188 Q CB 0.468 29.010 28.738 -0.326 0.000 1.242 188 Q HN 0.400 nan 8.270 nan 0.000 0.405 189 R N 1.959 122.456 120.500 -0.005 0.000 2.543 189 R HA 0.345 4.684 4.340 -0.001 0.000 0.277 189 R C -2.247 174.073 176.300 0.033 0.000 1.074 189 R CA -1.325 54.784 56.100 0.016 0.000 1.076 189 R CB -0.372 29.928 30.300 -0.001 0.000 0.993 189 R HN 0.205 nan 8.270 nan 0.000 0.459 190 P HA -0.060 nan 4.420 nan 0.000 0.263 190 P C -0.756 176.611 177.300 0.113 0.000 1.175 190 P CA 0.463 63.613 63.100 0.084 0.000 0.761 190 P CB 0.404 32.172 31.700 0.113 0.000 0.794 191 I N 5.625 126.217 120.570 0.038 0.000 2.377 191 I HA 0.323 4.493 4.170 -0.001 0.000 0.293 191 I C -2.009 174.018 176.117 -0.150 0.000 0.987 191 I CA -2.678 58.606 61.300 -0.028 0.000 1.185 191 I CB 2.113 40.076 38.000 -0.063 0.000 1.341 191 I HN 0.184 nan 8.210 nan 0.000 0.455 192 P HA 0.242 nan 4.420 nan 0.000 0.277 192 P C -0.954 176.155 177.300 -0.318 0.000 1.240 192 P CA -0.333 62.436 63.100 -0.551 0.000 0.798 192 P CB 1.490 32.572 31.700 -1.029 0.000 0.979 193 S N 0.218 115.768 115.700 -0.251 0.000 2.546 193 S HA 0.595 5.064 4.470 -0.001 0.000 0.272 193 S C -0.452 174.275 174.600 0.212 0.000 1.140 193 S CA -0.525 57.633 58.200 -0.070 0.000 0.920 193 S CB 1.609 64.707 63.200 -0.170 0.000 1.083 193 S HN 0.667 nan 8.310 nan 0.000 0.476 194 A N 2.198 125.115 122.820 0.161 0.000 2.366 194 A HA 0.916 5.235 4.320 -0.001 0.000 0.249 194 A C -0.345 177.386 177.584 0.244 0.000 1.084 194 A CA -0.089 52.030 52.037 0.137 0.000 0.794 194 A CB -0.159 18.786 19.000 -0.091 0.000 1.034 194 A HN 1.310 nan 8.150 nan 0.000 0.491 195 F N -1.972 117.878 119.950 -0.167 0.000 2.944 195 F HA 0.572 5.099 4.527 -0.001 0.000 0.324 195 F C -1.388 174.265 175.800 -0.244 0.000 1.151 195 F CA -1.455 56.387 58.000 -0.263 0.000 0.883 195 F CB 0.282 38.977 39.000 -0.508 0.000 1.341 195 F HN 0.584 nan 8.300 nan 0.000 0.456 196 C N 1.417 120.576 119.300 -0.236 0.000 2.563 196 C HA 0.735 5.194 4.460 -0.001 0.000 0.314 196 C C -0.889 173.994 174.990 -0.178 0.000 1.199 196 C CA -0.608 58.241 59.018 -0.282 0.000 1.564 196 C CB 1.232 28.985 27.740 0.021 0.000 2.173 196 C HN 0.624 nan 8.230 nan 0.000 0.485 197 F N 2.368 122.272 119.950 -0.076 0.000 2.385 197 F HA 0.709 5.236 4.527 -0.001 0.000 0.336 197 F C 0.271 176.159 175.800 0.146 0.000 1.100 197 F CA -0.297 57.749 58.000 0.076 0.000 1.116 197 F CB 0.685 39.636 39.000 -0.082 0.000 1.166 197 F HN 0.206 nan 8.300 nan 0.000 0.511 198 L N 2.219 123.662 121.223 0.366 0.000 2.408 198 L HA 0.579 4.919 4.340 -0.001 0.000 0.268 198 L C -0.513 176.161 176.870 -0.327 0.000 0.986 198 L CA -0.679 54.173 54.840 0.021 0.000 0.820 198 L CB 2.111 44.103 42.059 -0.111 0.000 1.303 198 L HN 0.502 nan 8.230 nan 0.000 0.411 199 S N -0.017 115.209 115.700 -0.789 0.000 2.594 199 S HA 0.474 4.943 4.470 -0.001 0.000 0.296 199 S C -0.186 173.871 174.600 -0.905 0.000 1.124 199 S CA -0.585 56.925 58.200 -1.151 0.000 1.011 199 S CB 0.743 62.731 63.200 -2.020 0.000 1.016 199 S HN 0.700 nan 8.310 nan 0.000 0.485 200 H N 2.995 121.835 119.070 -0.385 0.000 2.594 200 H HA 0.217 4.772 4.556 -0.001 0.000 0.279 200 H C -0.463 174.669 175.328 -0.327 0.000 1.042 200 H CA 0.089 55.958 56.048 -0.299 0.000 1.177 200 H CB 0.354 30.000 29.762 -0.193 0.000 1.524 200 H HN 0.699 nan 8.280 nan 0.000 0.537 201 D N -0.777 119.449 120.400 -0.289 0.000 2.891 201 D HA 0.041 4.680 4.640 -0.001 0.000 0.332 201 D C -0.127 176.101 176.300 -0.121 0.000 1.369 201 D CA -0.616 53.273 54.000 -0.186 0.000 0.827 201 D CB -0.534 40.221 40.800 -0.075 0.000 1.141 201 D HN 0.080 nan 8.370 nan 0.000 0.464 202 H N 0.190 119.189 119.070 -0.118 0.000 2.791 202 H HA -0.136 4.419 4.556 -0.001 0.000 0.302 202 H C 1.361 176.697 175.328 0.013 0.000 1.198 202 H CA 1.065 57.088 56.048 -0.042 0.000 1.145 202 H CB -1.540 28.250 29.762 0.047 0.000 1.385 202 H HN 0.752 nan 8.280 nan 0.000 0.409 203 G N -0.538 108.159 108.800 -0.172 0.000 2.141 203 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.242 203 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.242 203 G C 1.229 176.208 174.900 0.132 0.000 0.982 203 G CA 0.520 45.617 45.100 -0.006 0.000 0.662 203 G HN 0.533 nan 8.290 nan 0.000 0.527 204 R N -0.006 120.480 120.500 -0.025 0.000 2.066 204 R HA 0.159 4.498 4.340 -0.001 0.000 0.224 204 R C 1.494 177.795 176.300 0.003 0.000 1.122 204 R CA 1.690 57.818 56.100 0.047 0.000 0.974 204 R CB -0.081 30.239 30.300 0.033 0.000 0.871 204 R HN 0.644 nan 8.270 nan 0.000 0.435 205 T N -2.654 111.780 114.554 -0.200 0.000 2.916 205 T HA 0.518 4.867 4.350 -0.001 0.000 0.292 205 T C -1.153 173.254 174.700 -0.489 0.000 1.055 205 T CA -0.895 61.115 62.100 -0.150 0.000 1.009 205 T CB 1.844 70.672 68.868 -0.066 0.000 1.118 205 T HN 0.131 nan 8.240 nan 0.000 0.497 206 W N -0.105 121.186 121.300 -0.016 0.000 2.975 206 W HA 0.807 5.466 4.660 -0.001 0.000 0.342 206 W C -0.320 176.215 176.519 0.027 0.000 1.168 206 W CA -0.818 56.513 57.345 -0.025 0.000 1.141 206 W CB 2.294 31.725 29.460 -0.048 0.000 1.445 206 W HN 1.096 nan 8.180 nan 0.000 0.560 207 A N 1.123 124.132 122.820 0.316 0.000 2.566 207 A HA 0.907 5.226 4.320 -0.001 0.000 0.292 207 A C -1.377 176.372 177.584 0.275 0.000 1.112 207 A CA -1.200 50.971 52.037 0.222 0.000 0.707 207 A CB 1.611 20.673 19.000 0.104 0.000 1.302 207 A HN 0.659 nan 8.150 nan 0.000 0.409 208 R N 0.494 121.081 120.500 0.146 0.000 2.295 208 R HA 0.519 4.858 4.340 -0.001 0.000 0.324 208 R C 0.504 176.750 176.300 -0.090 0.000 0.968 208 R CA -0.192 55.927 56.100 0.032 0.000 0.837 208 R CB 1.856 32.129 30.300 -0.045 0.000 1.133 208 R HN 0.895 nan 8.270 nan 0.000 0.450 209 G N 1.388 110.150 108.800 -0.063 0.000 2.616 209 G HA2 0.105 4.065 3.960 -0.001 0.000 0.268 209 G HA3 0.105 4.065 3.960 -0.001 0.000 0.268 209 G C -0.321 174.432 174.900 -0.245 0.000 1.213 209 G CA -0.498 44.504 45.100 -0.163 0.000 0.926 209 G HN 0.499 nan 8.290 nan 0.000 0.523 210 H N -0.787 118.248 119.070 -0.058 0.000 2.607 210 H HA 0.282 4.837 4.556 -0.001 0.000 0.367 210 H C -0.171 175.107 175.328 -0.083 0.000 1.181 210 H CA -0.466 55.510 56.048 -0.120 0.000 1.402 210 H CB 0.563 30.334 29.762 0.016 0.000 1.474 210 H HN 0.210 nan 8.280 nan 0.000 0.596 211 F N -0.202 119.885 119.950 0.229 0.000 2.410 211 F HA 0.094 4.620 4.527 -0.001 0.000 0.334 211 F C 0.683 176.569 175.800 0.144 0.000 1.134 211 F CA -0.462 57.623 58.000 0.140 0.000 1.227 211 F CB 0.513 39.533 39.000 0.033 0.000 1.194 211 F HN 0.083 nan 8.300 nan 0.000 0.571 212 V N 2.888 122.986 119.914 0.306 0.000 2.427 212 V HA 0.209 4.329 4.120 -0.001 0.000 0.268 212 V C 0.639 176.812 176.094 0.133 0.000 1.046 212 V CA -0.765 61.635 62.300 0.168 0.000 0.970 212 V CB 0.542 32.380 31.823 0.025 0.000 1.001 212 V HN 0.912 nan 8.190 nan 0.000 0.476 213 A N 4.933 127.823 122.820 0.117 0.000 2.849 213 A HA 0.239 4.558 4.320 -0.001 0.000 0.246 213 A C 0.432 178.035 177.584 0.032 0.000 1.820 213 A CA 0.554 52.633 52.037 0.069 0.000 1.512 213 A CB -0.673 18.365 19.000 0.063 0.000 0.884 213 A HN 0.808 nan 8.150 nan 0.000 0.626 214 Q N -0.127 119.683 119.800 0.016 0.000 2.472 214 Q HA 0.251 4.590 4.340 -0.001 0.000 0.281 214 Q C -1.429 174.557 176.000 -0.023 0.000 0.997 214 Q CA -0.634 55.167 55.803 -0.003 0.000 0.828 214 Q CB 1.322 30.056 28.738 -0.007 0.000 1.443 214 Q HN 0.284 nan 8.270 nan 0.000 0.390 215 D N 1.861 122.257 120.400 -0.008 0.000 2.385 215 D HA 0.180 4.819 4.640 -0.001 0.000 0.260 215 D C -0.969 175.312 176.300 -0.032 0.000 1.326 215 D CA 0.548 54.535 54.000 -0.021 0.000 1.023 215 D CB -0.087 40.756 40.800 0.072 0.000 1.083 215 D HN 0.537 nan 8.370 nan 0.000 0.517 216 T N 0.790 115.285 114.554 -0.097 0.000 2.907 216 T HA 0.645 4.994 4.350 -0.001 0.000 0.292 216 T C 0.647 175.212 174.700 -0.225 0.000 1.043 216 T CA -0.851 61.173 62.100 -0.126 0.000 1.003 216 T CB 1.675 70.483 68.868 -0.100 0.000 1.084 216 T HN 0.158 nan 8.240 nan 0.000 0.483 217 L N -0.153 120.883 121.223 -0.312 0.000 2.760 217 L HA 0.540 4.879 4.340 -0.001 0.000 0.213 217 L C 0.475 176.930 176.870 -0.692 0.000 2.003 217 L CA -1.426 53.018 54.840 -0.659 0.000 2.737 217 L CB 0.069 41.775 42.059 -0.588 0.000 2.794 217 L HN 0.656 nan 8.230 nan 0.000 0.633 218 E N 0.331 120.054 120.200 -0.794 0.000 2.502 218 E HA 0.103 4.452 4.350 -0.001 0.000 0.261 218 E C -0.765 175.733 176.600 -0.171 0.000 0.974 218 E CA 0.121 56.321 56.400 -0.334 0.000 0.936 218 E CB 0.340 29.922 29.700 -0.198 0.000 0.926 218 E HN 0.484 nan 8.360 nan 0.000 0.459 219 C N 0.986 120.238 119.300 -0.079 0.000 3.291 219 C HA 0.642 5.101 4.460 -0.001 0.000 0.316 219 C C -1.056 173.899 174.990 -0.059 0.000 1.391 219 C CA -0.839 58.127 59.018 -0.088 0.000 1.394 219 C CB 1.399 29.055 27.740 -0.140 0.000 1.744 219 C HN 0.762 nan 8.230 nan 0.000 0.461 220 Q N 0.315 120.090 119.800 -0.043 0.000 2.456 220 Q HA 0.772 5.112 4.340 -0.001 0.000 0.284 220 Q C -1.149 174.853 176.000 0.003 0.000 1.061 220 Q CA -0.730 55.054 55.803 -0.032 0.000 0.799 220 Q CB 2.721 31.463 28.738 0.007 0.000 1.445 220 Q HN 1.090 nan 8.270 nan 0.000 0.411 221 V N -2.471 117.457 119.914 0.023 0.000 2.962 221 V HA 1.041 5.161 4.120 -0.001 0.000 0.313 221 V C -1.144 175.043 176.094 0.155 0.000 1.099 221 V CA -0.789 61.569 62.300 0.096 0.000 0.971 221 V CB 1.594 33.485 31.823 0.113 0.000 1.028 221 V HN 0.872 nan 8.190 nan 0.000 0.430 222 A N 1.969 124.899 122.820 0.185 0.000 2.475 222 A HA 0.815 5.134 4.320 -0.001 0.000 0.301 222 A C -0.772 176.912 177.584 0.166 0.000 1.059 222 A CA -0.636 51.526 52.037 0.209 0.000 0.710 222 A CB 1.882 21.026 19.000 0.240 0.000 1.288 222 A HN 1.067 nan 8.150 nan 0.000 0.408 223 E N 0.784 121.075 120.200 0.152 0.000 2.175 223 E HA 0.547 4.897 4.350 -0.001 0.000 0.278 223 E C -0.914 175.740 176.600 0.090 0.000 0.969 223 E CA -0.589 55.878 56.400 0.112 0.000 0.796 223 E CB 1.345 31.108 29.700 0.105 0.000 1.104 223 E HN 0.841 nan 8.360 nan 0.000 0.395 224 V N 1.457 121.409 119.914 0.063 0.000 2.656 224 V HA 0.530 4.649 4.120 -0.001 0.000 0.307 224 V C -0.549 175.558 176.094 0.021 0.000 1.051 224 V CA -0.939 61.383 62.300 0.037 0.000 0.893 224 V CB 1.820 33.656 31.823 0.023 0.000 0.999 224 V HN 0.625 nan 8.190 nan 0.000 0.426 225 E N 3.507 123.714 120.200 0.012 0.000 2.115 225 E HA 0.432 4.781 4.350 -0.001 0.000 0.282 225 E C 0.344 176.943 176.600 -0.002 0.000 0.987 225 E CA 0.096 56.500 56.400 0.005 0.000 0.797 225 E CB 1.817 31.519 29.700 0.004 0.000 1.086 225 E HN 1.088 nan 8.360 nan 0.000 0.397 226 T N -0.388 114.164 114.554 -0.004 0.000 2.891 226 T HA 0.360 4.710 4.350 -0.001 0.000 0.294 226 T C 1.299 175.994 174.700 -0.008 0.000 1.065 226 T CA -0.089 62.006 62.100 -0.008 0.000 0.936 226 T CB 0.749 69.610 68.868 -0.012 0.000 1.415 226 T HN 0.338 nan 8.240 nan 0.000 0.572 227 G N -1.001 107.794 108.800 -0.009 0.000 2.744 227 G HA2 0.122 4.082 3.960 -0.001 0.000 0.211 227 G HA3 0.122 4.082 3.960 -0.001 0.000 0.211 227 G C 1.005 175.899 174.900 -0.009 0.000 1.143 227 G CA 0.161 45.256 45.100 -0.009 0.000 0.788 227 G HN 0.812 nan 8.290 nan 0.000 0.534 228 E N -1.309 118.885 120.200 -0.010 0.000 2.475 228 E HA 0.111 4.460 4.350 -0.001 0.000 0.205 228 E C 0.948 177.542 176.600 -0.010 0.000 0.822 228 E CA 0.040 56.434 56.400 -0.010 0.000 1.240 228 E CB 0.381 30.074 29.700 -0.012 0.000 1.222 228 E HN 0.549 nan 8.360 nan 0.000 0.581 229 Q N 0.249 120.043 119.800 -0.010 0.000 2.687 229 Q HA 0.542 4.881 4.340 -0.001 0.000 0.305 229 Q C -0.963 175.033 176.000 -0.006 0.000 1.006 229 Q CA -0.959 54.838 55.803 -0.010 0.000 0.763 229 Q CB 1.681 30.410 28.738 -0.015 0.000 1.506 229 Q HN -0.160 nan 8.270 nan 0.000 0.459 230 R N 0.396 120.893 120.500 -0.005 0.000 2.312 230 R HA 0.637 4.977 4.340 -0.001 0.000 0.311 230 R C -1.025 175.274 176.300 -0.001 0.000 1.004 230 R CA -0.410 55.693 56.100 0.004 0.000 0.902 230 R CB 1.800 32.106 30.300 0.010 0.000 1.073 230 R HN 0.402 nan 8.270 nan 0.000 0.457 231 V N 3.418 123.337 119.914 0.008 0.000 2.823 231 V HA 0.383 4.502 4.120 -0.001 0.000 0.312 231 V C -0.520 175.594 176.094 0.034 0.000 1.072 231 V CA -0.884 61.419 62.300 0.005 0.000 0.937 231 V CB 2.433 34.259 31.823 0.005 0.000 1.013 231 V HN 0.411 nan 8.190 nan 0.000 0.430 232 V N 2.502 122.438 119.914 0.037 0.000 2.347 232 V HA 0.399 4.518 4.120 -0.001 0.000 0.280 232 V C 0.296 176.507 176.094 0.196 0.000 1.021 232 V CA -0.243 62.123 62.300 0.111 0.000 0.847 232 V CB 1.629 33.519 31.823 0.112 0.000 0.990 232 V HN 0.966 nan 8.190 nan 0.000 0.444 233 T N 6.340 121.006 114.554 0.187 0.000 2.845 233 T HA 0.613 4.962 4.350 -0.001 0.000 0.288 233 T C -0.755 174.066 174.700 0.202 0.000 0.980 233 T CA -0.275 61.943 62.100 0.196 0.000 1.071 233 T CB 0.666 69.620 68.868 0.143 0.000 0.941 233 T HN 0.542 nan 8.240 nan 0.000 0.487 234 L N 5.923 127.243 121.223 0.161 0.000 2.333 234 L HA 0.608 4.947 4.340 -0.001 0.000 0.280 234 L C -0.519 176.321 176.870 -0.049 0.000 1.004 234 L CA -0.729 54.098 54.840 -0.022 0.000 0.820 234 L CB 1.265 43.093 42.059 -0.384 0.000 1.247 234 L HN 0.559 nan 8.230 nan 0.000 0.416 235 N N 4.305 122.975 118.700 -0.050 0.000 2.443 235 N HA 0.656 5.395 4.740 -0.001 0.000 0.269 235 N C -1.398 174.048 175.510 -0.107 0.000 0.985 235 N CA -0.150 52.846 53.050 -0.091 0.000 0.921 235 N CB 1.994 40.438 38.487 -0.071 0.000 1.195 235 N HN 0.751 nan 8.380 nan 0.000 0.492 236 A N 3.156 125.890 122.820 -0.143 0.000 2.380 236 A HA 0.541 4.860 4.320 -0.001 0.000 0.315 236 A C -0.114 177.386 177.584 -0.140 0.000 1.101 236 A CA -0.836 51.116 52.037 -0.142 0.000 0.771 236 A CB 1.408 20.314 19.000 -0.156 0.000 1.287 236 A HN 0.745 nan 8.150 nan 0.000 0.436 237 R N 0.761 121.179 120.500 -0.136 0.000 2.543 237 R HA 0.489 4.828 4.340 -0.001 0.000 0.277 237 R C -0.210 176.029 176.300 -0.102 0.000 1.074 237 R CA 0.572 56.608 56.100 -0.107 0.000 1.076 237 R CB 0.558 30.784 30.300 -0.123 0.000 0.993 237 R HN 0.797 nan 8.270 nan 0.000 0.459 238 S N 0.812 116.477 115.700 -0.058 0.000 2.579 238 S HA 0.186 4.655 4.470 -0.001 0.000 0.272 238 S C -0.049 174.578 174.600 0.046 0.000 1.141 238 S CA -0.886 57.308 58.200 -0.011 0.000 0.843 238 S CB 1.094 64.260 63.200 -0.057 0.000 1.122 238 S HN 0.897 nan 8.310 nan 0.000 0.468 239 H N 3.403 122.439 119.070 -0.057 0.000 2.517 239 H HA 0.366 4.921 4.556 -0.001 0.000 0.282 239 H C 0.345 175.651 175.328 -0.036 0.000 1.023 239 H CA -0.105 55.923 56.048 -0.033 0.000 1.169 239 H CB -0.407 29.344 29.762 -0.018 0.000 1.454 239 H HN 0.447 nan 8.280 nan 0.000 0.556 240 L N 0.694 121.689 121.223 -0.381 0.000 2.783 240 L HA 0.241 4.580 4.340 -0.001 0.000 0.236 240 L C 0.570 177.317 176.870 -0.205 0.000 1.225 240 L CA -0.214 54.405 54.840 -0.367 0.000 1.026 240 L CB 0.029 41.892 42.059 -0.326 0.000 1.314 240 L HN 0.129 nan 8.230 nan 0.000 0.489 241 R N -0.323 120.085 120.500 -0.154 0.000 3.989 241 R HA -0.184 4.155 4.340 -0.001 0.000 0.377 241 R C -0.304 175.910 176.300 -0.142 0.000 1.158 241 R CA 0.894 56.913 56.100 -0.135 0.000 1.035 241 R CB -1.449 28.762 30.300 -0.148 0.000 1.557 241 R HN 0.518 nan 8.270 nan 0.000 0.551 242 A N -0.584 122.146 122.820 -0.150 0.000 2.612 242 A HA 0.755 5.075 4.320 -0.001 0.000 0.293 242 A C -0.782 176.684 177.584 -0.197 0.000 1.075 242 A CA -0.983 50.947 52.037 -0.178 0.000 0.680 242 A CB 1.145 20.046 19.000 -0.165 0.000 1.279 242 A HN 0.039 nan 8.150 nan 0.000 0.411 243 R N 0.043 120.379 120.500 -0.272 0.000 2.679 243 R HA 0.447 4.787 4.340 -0.001 0.000 0.269 243 R C -0.549 175.616 176.300 -0.225 0.000 1.076 243 R CA -0.268 55.660 56.100 -0.287 0.000 1.160 243 R CB 0.618 30.646 30.300 -0.455 0.000 1.054 243 R HN 0.450 nan 8.270 nan 0.000 0.507 244 V N 2.218 122.021 119.914 -0.185 0.000 2.459 244 V HA 0.254 4.373 4.120 -0.001 0.000 0.295 244 V C 0.110 176.125 176.094 -0.133 0.000 1.029 244 V CA -0.552 61.667 62.300 -0.135 0.000 0.874 244 V CB 1.561 33.323 31.823 -0.101 0.000 0.985 244 V HN 0.603 nan 8.190 nan 0.000 0.438 245 Q N 3.132 122.878 119.800 -0.091 0.000 2.365 245 Q HA 0.828 5.167 4.340 -0.001 0.000 0.269 245 Q C -0.977 175.026 176.000 0.006 0.000 1.061 245 Q CA -0.522 55.253 55.803 -0.047 0.000 0.816 245 Q CB 2.210 30.942 28.738 -0.010 0.000 1.325 245 Q HN 0.911 nan 8.270 nan 0.000 0.446 246 A N 2.891 125.737 122.820 0.043 0.000 2.556 246 A HA 0.718 5.038 4.320 -0.001 0.000 0.294 246 A C -1.629 176.111 177.584 0.260 0.000 1.091 246 A CA -0.720 51.399 52.037 0.135 0.000 0.704 246 A CB 2.201 21.283 19.000 0.135 0.000 1.300 246 A HN 0.660 nan 8.150 nan 0.000 0.406 247 Q N 0.171 120.138 119.800 0.279 0.000 2.394 247 Q HA 0.671 5.011 4.340 -0.001 0.000 0.273 247 Q C -0.965 175.085 176.000 0.083 0.000 1.089 247 Q CA -0.542 55.392 55.803 0.218 0.000 0.812 247 Q CB 2.029 30.823 28.738 0.093 0.000 1.353 247 Q HN 0.721 nan 8.270 nan 0.000 0.438 248 S N -0.145 115.484 115.700 -0.118 0.000 2.532 248 S HA 0.458 4.927 4.470 -0.001 0.000 0.299 248 S C 0.286 174.762 174.600 -0.207 0.000 1.105 248 S CA -0.300 57.648 58.200 -0.420 0.000 1.018 248 S CB 0.790 63.355 63.200 -1.058 0.000 1.021 248 S HN 0.627 nan 8.310 nan 0.000 0.483 249 T N 0.666 115.122 114.554 -0.163 0.000 3.069 249 T HA 0.157 4.507 4.350 -0.001 0.000 0.252 249 T C 0.379 175.018 174.700 -0.100 0.000 1.053 249 T CA -0.139 61.903 62.100 -0.097 0.000 0.964 249 T CB -0.513 68.316 68.868 -0.064 0.000 1.005 249 T HN 0.617 nan 8.240 nan 0.000 0.532 250 N N 0.937 119.550 118.700 -0.145 0.000 2.598 250 N HA 0.184 4.924 4.740 -0.001 0.000 0.309 250 N C -0.905 174.534 175.510 -0.119 0.000 1.645 250 N CA -0.587 52.393 53.050 -0.117 0.000 0.936 250 N CB -0.174 38.252 38.487 -0.102 0.000 1.323 250 N HN -0.027 nan 8.380 nan 0.000 0.497 251 D N 0.086 120.424 120.400 -0.102 0.000 2.751 251 D HA -0.153 4.486 4.640 -0.001 0.000 0.233 251 D C 1.126 177.393 176.300 -0.055 0.000 1.149 251 D CA 1.910 55.878 54.000 -0.052 0.000 0.682 251 D CB -1.376 39.425 40.800 0.001 0.000 1.068 251 D HN 0.810 nan 8.370 nan 0.000 0.429 252 G N -1.561 107.126 108.800 -0.189 0.000 2.213 252 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.226 252 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.226 252 G C 0.862 175.672 174.900 -0.151 0.000 0.992 252 G CA 0.432 45.448 45.100 -0.140 0.000 0.632 252 G HN 0.441 nan 8.290 nan 0.000 0.511 253 L N 1.023 122.128 121.223 -0.197 0.000 2.072 253 L HA 0.364 4.703 4.340 -0.001 0.000 0.205 253 L C 0.467 177.218 176.870 -0.198 0.000 1.079 253 L CA 2.008 56.720 54.840 -0.213 0.000 0.752 253 L CB -0.003 41.949 42.059 -0.178 0.000 0.906 253 L HN 0.303 nan 8.230 nan 0.000 0.436 254 D N -1.715 118.555 120.400 -0.216 0.000 2.646 254 D HA 0.304 4.943 4.640 -0.001 0.000 0.245 254 D C -1.358 174.746 176.300 -0.327 0.000 1.099 254 D CA -0.267 53.690 54.000 -0.072 0.000 0.849 254 D CB 1.768 42.590 40.800 0.037 0.000 1.448 254 D HN -0.157 nan 8.370 nan 0.000 0.489 255 F N 1.288 121.283 119.950 0.075 0.000 2.482 255 F HA 0.339 4.865 4.527 -0.001 0.000 0.331 255 F C 0.687 176.518 175.800 0.051 0.000 1.115 255 F CA -0.402 57.630 58.000 0.054 0.000 0.955 255 F CB 1.929 40.962 39.000 0.055 0.000 1.136 255 F HN 0.061 nan 8.300 nan 0.000 0.452 256 Q N 0.054 119.959 119.800 0.175 0.000 3.022 256 Q HA 0.416 4.756 4.340 -0.001 0.000 0.313 256 Q C -0.523 175.535 176.000 0.097 0.000 1.018 256 Q CA -1.213 54.656 55.803 0.110 0.000 0.799 256 Q CB 1.533 30.304 28.738 0.055 0.000 1.498 256 Q HN 0.503 nan 8.270 nan 0.000 0.494 257 E N 0.179 120.415 120.200 0.061 0.000 2.660 257 E HA -0.192 4.158 4.350 -0.001 0.000 0.260 257 E C -0.924 175.703 176.600 0.045 0.000 1.122 257 E CA 0.807 57.233 56.400 0.044 0.000 0.755 257 E CB -1.327 28.396 29.700 0.038 0.000 1.345 257 E HN 0.435 nan 8.360 nan 0.000 0.421 258 S N 0.430 116.162 115.700 0.054 0.000 2.546 258 S HA 0.212 4.681 4.470 -0.001 0.000 0.290 258 S C -0.075 174.532 174.600 0.011 0.000 1.290 258 S CA 0.789 59.012 58.200 0.038 0.000 1.069 258 S CB 0.175 63.400 63.200 0.043 0.000 0.846 258 S HN 0.429 nan 8.310 nan 0.000 0.495 259 Q N 3.565 123.361 119.800 -0.007 0.000 2.702 259 Q HA 0.437 4.776 4.340 -0.001 0.000 0.289 259 Q C -1.677 174.294 176.000 -0.049 0.000 0.923 259 Q CA -1.077 54.712 55.803 -0.023 0.000 0.787 259 Q CB 0.553 29.282 28.738 -0.014 0.000 1.476 259 Q HN 0.541 nan 8.270 nan 0.000 0.402 260 L N 1.168 122.354 121.223 -0.061 0.000 2.371 260 L HA 0.434 4.774 4.340 -0.001 0.000 0.272 260 L C -0.473 176.343 176.870 -0.090 0.000 1.124 260 L CA -0.917 53.869 54.840 -0.090 0.000 0.816 260 L CB 1.388 43.391 42.059 -0.093 0.000 1.129 260 L HN 0.468 nan 8.230 nan 0.000 0.448 261 V N 3.831 123.665 119.914 -0.133 0.000 2.239 261 V HA 0.127 4.246 4.120 -0.001 0.000 0.267 261 V C 0.966 176.963 176.094 -0.161 0.000 1.056 261 V CA -0.562 61.657 62.300 -0.135 0.000 0.830 261 V CB 0.577 32.276 31.823 -0.206 0.000 1.090 261 V HN 0.728 nan 8.190 nan 0.000 0.459 262 K N 1.808 122.144 120.400 -0.107 0.000 2.286 262 K HA -0.180 4.139 4.320 -0.001 0.000 0.203 262 K C 1.680 178.221 176.600 -0.098 0.000 1.045 262 K CA 1.296 57.523 56.287 -0.101 0.000 0.935 262 K CB 0.058 32.517 32.500 -0.068 0.000 0.737 262 K HN 0.508 nan 8.250 nan 0.000 0.460 263 K N 0.460 120.807 120.400 -0.087 0.000 2.365 263 K HA 0.015 4.334 4.320 -0.001 0.000 0.199 263 K C 0.322 176.850 176.600 -0.121 0.000 1.045 263 K CA 0.522 56.781 56.287 -0.047 0.000 0.962 263 K CB 0.156 32.675 32.500 0.032 0.000 0.759 263 K HN 0.104 nan 8.250 nan 0.000 0.469 264 L N 2.090 123.129 121.223 -0.307 0.000 2.360 264 L HA 0.224 4.563 4.340 -0.001 0.000 0.265 264 L C -0.193 176.475 176.870 -0.337 0.000 1.066 264 L CA -0.679 53.862 54.840 -0.497 0.000 0.929 264 L CB 1.203 42.717 42.059 -0.910 0.000 1.306 264 L HN -0.149 nan 8.230 nan 0.000 0.434 265 V N 3.236 123.045 119.914 -0.175 0.000 2.872 265 V HA 0.099 4.218 4.120 -0.001 0.000 0.307 265 V C 0.221 176.247 176.094 -0.113 0.000 1.072 265 V CA 0.312 62.537 62.300 -0.124 0.000 1.148 265 V CB 1.211 33.000 31.823 -0.056 0.000 0.954 265 V HN 0.625 nan 8.190 nan 0.000 0.490 266 E N 6.846 126.999 120.200 -0.078 0.000 2.234 266 E HA 0.481 4.830 4.350 -0.001 0.000 0.266 266 E C -2.635 173.976 176.600 0.019 0.000 0.877 266 E CA -1.728 54.680 56.400 0.013 0.000 0.758 266 E CB 2.292 31.967 29.700 -0.041 0.000 1.170 266 E HN 0.562 nan 8.360 nan 0.000 0.415 267 P HA 0.349 nan 4.420 nan 0.000 0.276 267 P C -2.687 174.647 177.300 0.057 0.000 1.252 267 P CA -1.723 61.412 63.100 0.058 0.000 0.802 267 P CB 0.450 32.215 31.700 0.107 0.000 1.035 268 P HA 0.253 nan 4.420 nan 0.000 0.278 268 P C -1.642 175.721 177.300 0.104 0.000 1.258 268 P CA -1.353 61.799 63.100 0.086 0.000 0.811 268 P CB -0.297 31.474 31.700 0.119 0.000 1.063 269 P HA 0.103 nan 4.420 nan 0.000 0.245 269 P C 0.397 177.767 177.300 0.117 0.000 1.199 269 P CA 1.042 64.202 63.100 0.100 0.000 0.807 269 P CB 0.774 32.527 31.700 0.089 0.000 1.002 270 Q N -0.218 119.645 119.800 0.104 0.000 2.112 270 Q HA 0.369 4.708 4.340 -0.001 0.000 0.222 270 Q C 0.568 176.619 176.000 0.086 0.000 0.798 270 Q CA 0.183 56.052 55.803 0.109 0.000 1.060 270 Q CB 1.498 30.280 28.738 0.074 0.000 1.184 270 Q HN 0.208 nan 8.270 nan 0.000 0.475 271 G N 1.070 109.922 108.800 0.086 0.000 2.693 271 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.226 271 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.226 271 G C -0.734 174.230 174.900 0.106 0.000 1.354 271 G CA -0.298 44.858 45.100 0.094 0.000 0.873 271 G HN 0.354 nan 8.290 nan 0.000 0.562 272 C N -0.504 118.873 119.300 0.128 0.000 3.086 272 C HA 0.713 5.172 4.460 -0.001 0.000 0.311 272 C C 0.334 175.286 174.990 -0.063 0.000 1.260 272 C CA -0.119 58.928 59.018 0.049 0.000 1.426 272 C CB 1.441 29.149 27.740 -0.052 0.000 1.826 272 C HN 1.141 nan 8.230 nan 0.000 0.474 273 Q N 1.879 121.448 119.800 -0.386 0.000 2.395 273 Q HA 0.480 4.819 4.340 -0.001 0.000 0.271 273 Q C -0.004 175.813 176.000 -0.306 0.000 1.026 273 Q CA 0.886 56.332 55.803 -0.595 0.000 0.900 273 Q CB 1.200 28.964 28.738 -1.622 0.000 1.266 273 Q HN 1.070 nan 8.270 nan 0.000 0.430 274 G N 0.972 109.722 108.800 -0.083 0.000 2.694 274 G HA2 0.468 4.427 3.960 -0.001 0.000 0.290 274 G HA3 0.468 4.427 3.960 -0.001 0.000 0.290 274 G C -1.679 173.250 174.900 0.047 0.000 1.386 274 G CA -0.388 44.733 45.100 0.035 0.000 0.872 274 G HN 0.534 nan 8.290 nan 0.000 0.475 275 S N -1.399 114.330 115.700 0.048 0.000 2.536 275 S HA 0.777 5.247 4.470 -0.001 0.000 0.298 275 S C -1.245 173.527 174.600 0.287 0.000 1.083 275 S CA -0.655 57.653 58.200 0.180 0.000 0.995 275 S CB 1.821 65.146 63.200 0.209 0.000 1.058 275 S HN 1.312 nan 8.310 nan 0.000 0.488 276 V N 5.759 125.884 119.914 0.352 0.000 2.808 276 V HA 0.787 4.906 4.120 -0.001 0.000 0.308 276 V C -1.157 175.180 176.094 0.406 0.000 1.099 276 V CA -0.708 61.831 62.300 0.399 0.000 0.920 276 V CB 1.608 33.653 31.823 0.369 0.000 1.014 276 V HN 0.931 nan 8.190 nan 0.000 0.425 277 I N 2.984 123.788 120.570 0.390 0.000 3.095 277 I HA 0.910 5.079 4.170 -0.001 0.000 0.310 277 I C -0.440 175.909 176.117 0.386 0.000 1.196 277 I CA -0.652 60.876 61.300 0.379 0.000 0.985 277 I CB 2.423 40.615 38.000 0.320 0.000 1.250 277 I HN 0.635 nan 8.210 nan 0.000 0.446 278 S N 1.943 117.850 115.700 0.344 0.000 2.621 278 S HA 0.911 5.381 4.470 -0.001 0.000 0.302 278 S C -0.756 174.071 174.600 0.379 0.000 1.093 278 S CA -0.540 57.818 58.200 0.263 0.000 1.017 278 S CB 1.709 65.002 63.200 0.154 0.000 1.077 278 S HN 0.926 nan 8.310 nan 0.000 0.517 279 F N -2.884 117.197 119.950 0.218 0.000 2.693 279 F HA 0.743 5.270 4.527 -0.001 0.000 0.309 279 F C -3.557 172.291 175.800 0.079 0.000 1.129 279 F CA -2.629 55.481 58.000 0.183 0.000 0.948 279 F CB 0.260 39.459 39.000 0.332 0.000 1.315 279 F HN 0.324 nan 8.300 nan 0.000 0.447 280 P HA 0.055 nan 4.420 nan 0.000 0.260 280 P C -0.225 176.971 177.300 -0.174 0.000 1.185 280 P CA 0.369 63.451 63.100 -0.030 0.000 0.763 280 P CB 0.830 32.544 31.700 0.024 0.000 0.776 281 S N 4.984 120.402 115.700 -0.470 0.000 2.560 281 S HA 0.114 4.584 4.470 -0.001 0.000 0.284 281 S C -1.238 172.999 174.600 -0.604 0.000 1.327 281 S CA -0.975 56.665 58.200 -0.935 0.000 1.055 281 S CB -0.097 62.501 63.200 -1.004 0.000 0.868 281 S HN 0.273 nan 8.310 nan 0.000 0.506 282 P HA 0.063 nan 4.420 nan 0.000 0.226 282 P C 0.021 177.140 177.300 -0.301 0.000 1.153 282 P CA 0.811 63.693 63.100 -0.364 0.000 0.777 282 P CB 0.231 31.713 31.700 -0.362 0.000 0.794 289 P HA 0.416 nan 4.420 nan 0.000 0.267 289 P C 0.443 177.751 177.300 0.012 0.000 1.200 289 P CA 0.376 63.514 63.100 0.063 0.000 0.772 289 P CB 0.769 32.540 31.700 0.118 0.000 0.855 290 A N 2.324 125.129 122.820 -0.026 0.000 1.970 290 A HA -0.041 4.278 4.320 -0.001 0.000 0.216 290 A C 0.922 178.421 177.584 -0.141 0.000 1.170 290 A CA 1.096 53.087 52.037 -0.077 0.000 0.645 290 A CB -0.234 18.738 19.000 -0.045 0.000 0.816 290 A HN 0.683 nan 8.150 nan 0.000 0.447 291 Q N -2.358 117.380 119.800 -0.103 0.000 2.423 291 Q HA 0.538 4.877 4.340 -0.001 0.000 0.278 291 Q C -1.382 174.578 176.000 -0.066 0.000 1.097 291 Q CA -0.429 55.264 55.803 -0.183 0.000 0.809 291 Q CB 1.757 30.435 28.738 -0.100 0.000 1.391 291 Q HN 0.510 nan 8.270 nan 0.000 0.428 292 W N 1.185 122.088 121.300 -0.663 0.000 2.762 292 W HA 0.671 5.331 4.660 -0.001 0.000 0.355 292 W C -0.917 175.273 176.519 -0.549 0.000 1.124 292 W CA -0.874 56.093 57.345 -0.630 0.000 1.141 292 W CB 0.692 29.732 29.460 -0.699 0.000 1.432 292 W HN 0.448 nan 8.180 nan 0.000 0.586 293 L N 2.309 123.518 121.223 -0.024 0.000 2.334 293 L HA 0.571 4.911 4.340 -0.001 0.000 0.276 293 L C -0.825 176.306 176.870 0.434 0.000 1.014 293 L CA -1.163 53.781 54.840 0.173 0.000 0.815 293 L CB 1.531 43.629 42.059 0.065 0.000 1.268 293 L HN 0.074 nan 8.230 nan 0.000 0.428 294 L N 2.962 124.524 121.223 0.565 0.000 2.362 294 L HA 0.569 4.909 4.340 -0.001 0.000 0.271 294 L C -1.379 175.804 176.870 0.522 0.000 1.002 294 L CA -0.312 54.824 54.840 0.493 0.000 0.818 294 L CB 1.789 43.928 42.059 0.133 0.000 1.298 294 L HN 0.454 nan 8.230 nan 0.000 0.420 295 Y N 2.616 123.141 120.300 0.374 0.000 2.470 295 Y HA 0.720 5.269 4.550 -0.001 0.000 0.341 295 Y C -1.060 174.988 175.900 0.247 0.000 1.021 295 Y CA -0.496 57.743 58.100 0.233 0.000 1.025 295 Y CB 1.990 40.453 38.460 0.005 0.000 1.266 295 Y HN 0.732 nan 8.280 nan 0.000 0.448 296 T N 3.585 117.945 114.554 -0.324 0.000 2.863 296 T HA 0.615 4.965 4.350 -0.001 0.000 0.285 296 T C -1.387 173.004 174.700 -0.515 0.000 1.009 296 T CA -0.510 61.419 62.100 -0.285 0.000 0.989 296 T CB 1.786 70.618 68.868 -0.060 0.000 1.004 296 T HN 0.963 nan 8.240 nan 0.000 0.455 297 H N 1.118 119.928 119.070 -0.433 0.000 2.984 297 H HA 0.294 4.849 4.556 -0.001 0.000 0.298 297 H C -3.417 171.862 175.328 -0.082 0.000 1.378 297 H CA -0.994 54.862 56.048 -0.321 0.000 1.241 297 H CB 1.514 30.940 29.762 -0.561 0.000 1.894 297 H HN 0.421 nan 8.280 nan 0.000 0.511 298 P HA 0.074 nan 4.420 nan 0.000 0.269 298 P C 0.450 177.912 177.300 0.271 0.000 1.215 298 P CA 0.608 63.703 63.100 -0.009 0.000 0.780 298 P CB 0.661 32.288 31.700 -0.122 0.000 0.898 299 T N -3.197 111.467 114.554 0.184 0.000 3.085 299 T HA 0.081 4.431 4.350 -0.001 0.000 0.264 299 T C 0.507 175.280 174.700 0.122 0.000 1.019 299 T CA 0.116 62.329 62.100 0.188 0.000 0.910 299 T CB -0.514 68.403 68.868 0.081 0.000 1.059 299 T HN 0.325 nan 8.240 nan 0.000 0.542 300 H N 1.225 120.332 119.070 0.062 0.000 2.582 300 H HA 0.424 4.979 4.556 -0.001 0.000 0.345 300 H C 0.596 175.909 175.328 -0.025 0.000 1.104 300 H CA -0.058 56.014 56.048 0.041 0.000 1.390 300 H CB 1.903 31.708 29.762 0.072 0.000 1.461 300 H HN 0.124 nan 8.280 nan 0.000 0.551 301 S N 2.891 118.523 115.700 -0.113 0.000 2.461 301 S HA -0.084 4.385 4.470 -0.001 0.000 0.228 301 S C 1.048 175.390 174.600 -0.430 0.000 1.005 301 S CA 0.673 58.639 58.200 -0.391 0.000 0.942 301 S CB 0.099 62.829 63.200 -0.782 0.000 0.776 301 S HN 0.707 nan 8.310 nan 0.000 0.514 302 W N 1.416 122.975 121.300 0.431 0.000 2.873 302 W HA 0.334 4.994 4.660 -0.001 0.000 0.282 302 W C 0.896 177.458 176.519 0.071 0.000 1.118 302 W CA -0.636 56.837 57.345 0.213 0.000 1.480 302 W CB 0.315 29.887 29.460 0.187 0.000 0.954 302 W HN 0.160 nan 8.180 nan 0.000 0.591 303 Q N -0.084 119.802 119.800 0.143 0.000 2.687 303 Q HA 0.535 4.874 4.340 -0.001 0.000 0.305 303 Q C -0.513 175.482 176.000 -0.008 0.000 1.006 303 Q CA -1.211 54.576 55.803 -0.027 0.000 0.763 303 Q CB 1.118 29.740 28.738 -0.194 0.000 1.506 303 Q HN -0.076 nan 8.270 nan 0.000 0.459 304 R N 0.262 120.758 120.500 -0.007 0.000 2.419 304 R HA 0.645 4.984 4.340 -0.001 0.000 0.305 304 R C -0.938 175.343 176.300 -0.032 0.000 1.242 304 R CA 0.143 56.243 56.100 -0.001 0.000 1.105 304 R CB 0.639 30.957 30.300 0.030 0.000 1.116 304 R HN 0.591 nan 8.270 nan 0.000 0.523 305 A N 1.726 124.549 122.820 0.005 0.000 2.602 305 A HA 0.424 4.743 4.320 -0.001 0.000 0.290 305 A C -1.262 176.351 177.584 0.048 0.000 1.114 305 A CA -0.894 51.150 52.037 0.013 0.000 0.683 305 A CB 1.139 20.141 19.000 0.004 0.000 1.281 305 A HN 0.619 nan 8.150 nan 0.000 0.416 306 D N -0.299 120.109 120.400 0.014 0.000 3.133 306 D HA -0.137 4.502 4.640 -0.001 0.000 0.239 306 D C -0.344 175.918 176.300 -0.063 0.000 1.136 306 D CA 0.878 54.867 54.000 -0.017 0.000 0.898 306 D CB -1.004 39.811 40.800 0.026 0.000 0.959 306 D HN 0.709 nan 8.370 nan 0.000 0.415 307 L N 0.886 122.027 121.223 -0.137 0.000 2.559 307 L HA 0.357 4.696 4.340 -0.001 0.000 0.274 307 L C 1.057 177.810 176.870 -0.195 0.000 1.205 307 L CA 1.006 55.730 54.840 -0.194 0.000 0.907 307 L CB 0.643 42.468 42.059 -0.391 0.000 1.153 307 L HN 0.316 nan 8.230 nan 0.000 0.490 308 G N 3.680 112.404 108.800 -0.126 0.000 2.498 308 G HA2 0.761 4.721 3.960 -0.001 0.000 0.312 308 G HA3 0.761 4.721 3.960 -0.001 0.000 0.312 308 G C -1.582 173.248 174.900 -0.116 0.000 1.230 308 G CA -0.320 44.664 45.100 -0.193 0.000 0.968 308 G HN 0.958 nan 8.290 nan 0.000 0.481 309 A N 0.439 123.174 122.820 -0.142 0.000 2.288 309 A HA 0.779 5.098 4.320 -0.001 0.000 0.320 309 A C -1.469 176.272 177.584 0.261 0.000 1.217 309 A CA -0.529 51.564 52.037 0.093 0.000 0.840 309 A CB 0.663 19.683 19.000 0.032 0.000 1.179 309 A HN 0.574 nan 8.150 nan 0.000 0.504 310 Y N 0.936 121.472 120.300 0.393 0.000 2.468 310 Y HA 0.642 5.191 4.550 -0.001 0.000 0.342 310 Y C -0.226 175.999 175.900 0.541 0.000 1.021 310 Y CA -0.946 57.460 58.100 0.510 0.000 1.079 310 Y CB 2.047 40.784 38.460 0.462 0.000 1.226 310 Y HN 0.647 nan 8.280 nan 0.000 0.460 311 L N 3.146 124.628 121.223 0.431 0.000 2.362 311 L HA 0.588 4.928 4.340 -0.001 0.000 0.271 311 L C -1.171 175.610 176.870 -0.148 0.000 1.002 311 L CA -0.476 54.364 54.840 0.001 0.000 0.818 311 L CB 1.619 43.184 42.059 -0.822 0.000 1.298 311 L HN 0.686 nan 8.230 nan 0.000 0.420 312 N N 5.399 123.820 118.700 -0.465 0.000 2.573 312 N HA 0.425 5.164 4.740 -0.001 0.000 0.262 312 N C -2.383 172.652 175.510 -0.792 0.000 1.029 312 N CA -1.683 50.848 53.050 -0.866 0.000 0.882 312 N CB 2.318 39.828 38.487 -1.627 0.000 1.204 312 N HN 0.452 nan 8.380 nan 0.000 0.519 313 P HA 0.098 nan 4.420 nan 0.000 0.245 313 P C -0.223 176.577 177.300 -0.833 0.000 1.206 313 P CA 0.410 62.594 63.100 -1.527 0.000 0.781 313 P CB 0.602 31.431 31.700 -1.452 0.000 0.994 314 R N 0.859 121.027 120.500 -0.553 0.000 2.782 314 R HA 0.308 4.647 4.340 -0.001 0.000 0.293 314 R C -2.436 173.675 176.300 -0.315 0.000 1.333 314 R CA -1.656 54.247 56.100 -0.329 0.000 1.479 314 R CB 0.738 30.882 30.300 -0.261 0.000 1.306 314 R HN 0.221 nan 8.270 nan 0.000 0.654 315 P HA 0.080 nan 4.420 nan 0.000 0.271 315 P C -2.108 175.101 177.300 -0.152 0.000 1.216 315 P CA -0.768 62.168 63.100 -0.274 0.000 0.776 315 P CB 0.983 32.549 31.700 -0.223 0.000 0.881 316 P HA 0.192 nan 4.420 nan 0.000 0.262 316 P C 0.101 177.310 177.300 -0.152 0.000 1.651 316 P CA -0.321 62.694 63.100 -0.142 0.000 1.119 316 P CB 0.002 31.683 31.700 -0.032 0.000 1.552 317 A N 2.511 125.224 122.820 -0.178 0.000 2.550 317 A HA 0.064 4.383 4.320 -0.001 0.000 0.263 317 A C -1.119 176.382 177.584 -0.139 0.000 1.065 317 A CA -0.363 51.590 52.037 -0.139 0.000 0.786 317 A CB -0.489 18.423 19.000 -0.147 0.000 0.985 317 A HN 0.126 nan 8.150 nan 0.000 0.518 318 P HA -0.221 nan 4.420 nan 0.000 0.216 318 P C 1.245 178.615 177.300 0.118 0.000 1.153 318 P CA 1.691 64.853 63.100 0.104 0.000 0.858 318 P CB 0.162 31.898 31.700 0.060 0.000 0.789 319 E N -0.492 119.721 120.200 0.022 0.000 2.511 319 E HA 0.022 4.371 4.350 -0.001 0.000 0.196 319 E C 1.421 178.012 176.600 -0.016 0.000 1.066 319 E CA 0.782 57.192 56.400 0.017 0.000 0.871 319 E CB -0.866 28.829 29.700 -0.007 0.000 0.863 319 E HN 0.176 nan 8.360 nan 0.000 0.520 320 A N 0.492 123.251 122.820 -0.102 0.000 2.218 320 A HA 0.096 4.416 4.320 -0.001 0.000 0.209 320 A C 0.266 177.725 177.584 -0.207 0.000 1.168 320 A CA -0.539 51.380 52.037 -0.196 0.000 0.804 320 A CB -0.614 18.201 19.000 -0.309 0.000 0.834 320 A HN 0.214 nan 8.150 nan 0.000 0.482 321 W N 1.965 123.209 121.300 -0.093 0.000 2.251 321 W HA 0.297 4.956 4.660 -0.001 0.000 0.327 321 W C 1.198 177.716 176.519 -0.001 0.000 1.361 321 W CA 0.514 57.823 57.345 -0.060 0.000 1.234 321 W CB 0.663 30.075 29.460 -0.080 0.000 1.212 321 W HN 0.336 nan 8.180 nan 0.000 0.557 322 S N 2.124 118.006 115.700 0.303 0.000 2.641 322 S HA 0.277 4.747 4.470 -0.001 0.000 0.261 322 S C 0.012 174.795 174.600 0.305 0.000 1.257 322 S CA -0.832 57.497 58.200 0.215 0.000 0.983 322 S CB 0.728 64.011 63.200 0.137 0.000 0.990 322 S HN 0.555 nan 8.310 nan 0.000 0.572 323 E N 1.940 122.260 120.200 0.201 0.000 2.349 323 E HA 0.314 4.663 4.350 -0.001 0.000 0.265 323 E C -2.083 174.541 176.600 0.040 0.000 1.064 323 E CA -1.953 54.524 56.400 0.128 0.000 0.886 323 E CB 0.333 30.075 29.700 0.070 0.000 1.036 323 E HN 0.544 nan 8.360 nan 0.000 0.413 324 P HA 0.066 nan 4.420 nan 0.000 0.274 324 P C -0.675 176.452 177.300 -0.289 0.000 1.237 324 P CA -0.204 62.547 63.100 -0.582 0.000 0.793 324 P CB 0.829 31.852 31.700 -1.127 0.000 0.977 325 V N 2.781 122.510 119.914 -0.310 0.000 2.555 325 V HA 0.214 4.333 4.120 -0.001 0.000 0.302 325 V C 0.633 176.538 176.094 -0.314 0.000 1.038 325 V CA -0.960 61.138 62.300 -0.336 0.000 0.887 325 V CB 1.673 33.160 31.823 -0.560 0.000 0.991 325 V HN 0.458 nan 8.190 nan 0.000 0.434 326 L N 5.244 126.311 121.223 -0.261 0.000 2.456 326 L HA 0.227 4.566 4.340 -0.001 0.000 0.277 326 L C 0.861 177.570 176.870 -0.268 0.000 1.124 326 L CA 0.221 54.924 54.840 -0.229 0.000 0.880 326 L CB 0.632 42.592 42.059 -0.166 0.000 1.192 326 L HN 0.723 nan 8.230 nan 0.000 0.463 327 L N 4.577 125.617 121.223 -0.305 0.000 2.298 327 L HA 0.271 4.611 4.340 -0.001 0.000 0.209 327 L C 0.629 177.321 176.870 -0.296 0.000 1.084 327 L CA 0.219 54.840 54.840 -0.364 0.000 0.816 327 L CB 0.087 41.879 42.059 -0.444 0.000 0.967 327 L HN 0.688 nan 8.230 nan 0.000 0.460 328 A N -0.072 122.586 122.820 -0.270 0.000 2.513 328 A HA 0.514 4.833 4.320 -0.001 0.000 0.296 328 A C -1.045 176.471 177.584 -0.113 0.000 1.052 328 A CA -0.687 51.240 52.037 -0.182 0.000 0.714 328 A CB 1.114 19.946 19.000 -0.279 0.000 1.279 328 A HN -0.039 nan 8.150 nan 0.000 0.397 329 K N 1.009 121.378 120.400 -0.053 0.000 2.118 329 K HA 0.673 4.992 4.320 -0.001 0.000 0.264 329 K C 0.843 177.441 176.600 -0.003 0.000 1.000 329 K CA 0.670 56.941 56.287 -0.028 0.000 0.929 329 K CB 1.169 33.658 32.500 -0.019 0.000 1.021 329 K HN 1.931 nan 8.250 nan 0.000 0.463 330 G N 0.714 109.517 108.800 0.005 0.000 2.642 330 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.231 330 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.231 330 G C -0.337 174.559 174.900 -0.007 0.000 1.338 330 G CA -0.314 44.789 45.100 0.005 0.000 0.883 330 G HN 0.576 nan 8.290 nan 0.000 0.570 331 S N -0.783 114.902 115.700 -0.026 0.000 2.629 331 S HA 0.381 4.851 4.470 -0.001 0.000 0.302 331 S C 0.259 174.833 174.600 -0.044 0.000 1.244 331 S CA 0.706 58.867 58.200 -0.065 0.000 1.098 331 S CB -1.350 61.787 63.200 -0.105 0.000 0.858 331 S HN 1.383 nan 8.310 nan 0.000 0.502 332 C N 4.084 123.357 119.300 -0.046 0.000 2.782 332 C HA 0.841 5.301 4.460 -0.001 0.000 0.328 332 C C 0.795 175.778 174.990 -0.013 0.000 1.145 332 C CA -0.248 58.782 59.018 0.021 0.000 1.358 332 C CB 1.050 28.787 27.740 -0.006 0.000 1.841 332 C HN 1.078 nan 8.230 nan 0.000 0.477 333 A N 1.240 124.096 122.820 0.059 0.000 2.677 333 A HA 0.749 5.069 4.320 -0.001 0.000 0.197 333 A C -0.923 176.817 177.584 0.261 0.000 1.471 333 A CA 0.008 52.135 52.037 0.150 0.000 1.527 333 A CB -0.474 18.674 19.000 0.245 0.000 1.695 333 A HN 0.670 nan 8.150 nan 0.000 0.557 334 Y N 1.632 122.001 120.300 0.115 0.000 2.578 334 Y HA 0.405 4.954 4.550 -0.001 0.000 0.339 334 Y C 1.148 177.141 175.900 0.154 0.000 1.231 334 Y CA 0.204 58.374 58.100 0.116 0.000 1.461 334 Y CB 0.435 38.983 38.460 0.147 0.000 1.323 334 Y HN 0.652 nan 8.280 nan 0.000 0.590 335 S N 0.681 116.525 115.700 0.239 0.000 2.607 335 S HA 0.676 5.145 4.470 -0.001 0.000 0.273 335 S C -1.827 172.918 174.600 0.243 0.000 1.148 335 S CA -0.984 57.368 58.200 0.254 0.000 0.833 335 S CB 2.953 66.262 63.200 0.181 0.000 1.130 335 S HN 0.467 nan 8.310 nan 0.000 0.470 336 D N 0.065 120.636 120.400 0.285 0.000 2.970 336 D HA 0.544 5.184 4.640 -0.001 0.000 0.230 336 D C -1.321 175.151 176.300 0.286 0.000 1.276 336 D CA -0.288 53.902 54.000 0.317 0.000 0.910 336 D CB 1.529 42.549 40.800 0.367 0.000 1.590 336 D HN 0.640 nan 8.370 nan 0.000 0.551 337 L N 2.348 123.714 121.223 0.239 0.000 2.334 337 L HA 0.620 4.960 4.340 -0.001 0.000 0.272 337 L C -0.221 176.656 176.870 0.011 0.000 1.020 337 L CA -0.696 54.234 54.840 0.150 0.000 0.812 337 L CB 1.582 43.726 42.059 0.141 0.000 1.264 337 L HN 0.239 nan 8.230 nan 0.000 0.439 338 Q N 1.122 120.965 119.800 0.073 0.000 2.309 338 Q HA 0.270 4.610 4.340 -0.001 0.000 0.273 338 Q C -1.176 174.877 176.000 0.088 0.000 1.040 338 Q CA -0.416 55.413 55.803 0.044 0.000 0.834 338 Q CB 2.445 31.256 28.738 0.121 0.000 1.345 338 Q HN 0.570 nan 8.270 nan 0.000 0.414 339 S N 2.258 118.014 115.700 0.093 0.000 2.513 339 S HA 0.438 4.907 4.470 -0.001 0.000 0.276 339 S C 0.390 174.837 174.600 -0.255 0.000 1.254 339 S CA -0.175 58.044 58.200 0.032 0.000 1.053 339 S CB 0.230 63.524 63.200 0.156 0.000 0.958 339 S HN 0.607 nan 8.310 nan 0.000 0.491 340 M N 4.699 123.995 119.600 -0.506 0.000 2.673 340 M HA 0.306 4.786 4.480 -0.001 0.000 0.334 340 M C 0.969 176.894 176.300 -0.625 0.000 1.211 340 M CA 0.040 54.755 55.300 -0.975 0.000 0.962 340 M CB 0.071 32.111 32.600 -0.932 0.000 1.343 340 M HN 1.003 nan 8.290 nan 0.000 0.511 341 G N 0.643 109.238 108.800 -0.342 0.000 2.512 341 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.240 341 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.240 341 G C -0.387 174.361 174.900 -0.255 0.000 1.246 341 G CA -0.640 44.340 45.100 -0.200 0.000 0.919 341 G HN 0.271 nan 8.290 nan 0.000 0.577 342 T N 1.655 116.098 114.554 -0.185 0.000 2.817 342 T HA 0.587 4.936 4.350 -0.001 0.000 0.293 342 T C 1.077 175.659 174.700 -0.197 0.000 0.964 342 T CA 0.654 62.650 62.100 -0.172 0.000 1.085 342 T CB 1.180 69.990 68.868 -0.096 0.000 0.921 342 T HN 1.365 nan 8.240 nan 0.000 0.502 343 G N 2.929 111.606 108.800 -0.205 0.000 2.588 343 G HA2 0.370 4.329 3.960 -0.001 0.000 0.281 343 G HA3 0.370 4.329 3.960 -0.001 0.000 0.281 343 G C -1.550 173.290 174.900 -0.099 0.000 1.236 343 G CA -1.437 43.563 45.100 -0.168 0.000 0.969 343 G HN 0.402 nan 8.290 nan 0.000 0.504 344 P HA -0.021 nan 4.420 nan 0.000 0.222 344 P C 0.753 177.983 177.300 -0.117 0.000 1.147 344 P CA 1.349 64.388 63.100 -0.101 0.000 0.790 344 P CB 0.197 31.744 31.700 -0.255 0.000 0.780 345 D N -2.474 117.851 120.400 -0.125 0.000 2.368 345 D HA 0.171 4.810 4.640 -0.001 0.000 0.218 345 D C 1.371 177.614 176.300 -0.095 0.000 1.112 345 D CA 0.134 54.066 54.000 -0.114 0.000 0.834 345 D CB -0.784 39.934 40.800 -0.136 0.000 0.953 345 D HN 0.160 nan 8.370 nan 0.000 0.505 346 G N 0.108 108.860 108.800 -0.080 0.000 2.205 346 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.261 346 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.261 346 G C 0.434 175.307 174.900 -0.044 0.000 0.980 346 G CA 0.545 45.615 45.100 -0.050 0.000 0.632 346 G HN 0.885 nan 8.290 nan 0.000 0.533 347 S N -0.017 115.628 115.700 -0.092 0.000 2.690 347 S HA 0.767 5.236 4.470 -0.001 0.000 0.291 347 S C -2.601 171.895 174.600 -0.174 0.000 1.138 347 S CA -1.590 56.569 58.200 -0.069 0.000 1.013 347 S CB 2.478 65.596 63.200 -0.136 0.000 1.053 347 S HN 0.056 nan 8.310 nan 0.000 0.539 348 P HA 0.122 nan 4.420 nan 0.000 0.261 348 P C -0.892 175.891 177.300 -0.862 0.000 1.173 348 P CA -0.074 62.713 63.100 -0.522 0.000 0.760 348 P CB 0.149 31.499 31.700 -0.583 0.000 0.783 349 L N 5.617 126.351 121.223 -0.816 0.000 2.289 349 L HA 0.577 4.916 4.340 -0.001 0.000 0.285 349 L C -1.162 175.134 176.870 -0.956 0.000 1.049 349 L CA -0.047 54.352 54.840 -0.735 0.000 0.804 349 L CB -0.030 41.744 42.059 -0.475 0.000 1.195 349 L HN 0.136 nan 8.230 nan 0.000 0.428 350 F N 2.590 122.225 119.950 -0.526 0.000 2.563 350 F HA 0.774 5.300 4.527 -0.001 0.000 0.316 350 F C 0.693 176.183 175.800 -0.516 0.000 1.076 350 F CA -0.725 56.907 58.000 -0.613 0.000 0.921 350 F CB 2.152 40.542 39.000 -1.016 0.000 1.209 350 F HN 0.561 nan 8.300 nan 0.000 0.462 351 G N 0.279 109.058 108.800 -0.036 0.000 2.461 351 G HA2 0.548 4.507 3.960 -0.001 0.000 0.323 351 G HA3 0.548 4.507 3.960 -0.001 0.000 0.323 351 G C -1.971 173.039 174.900 0.183 0.000 1.229 351 G CA -0.758 44.425 45.100 0.140 0.000 0.941 351 G HN 0.895 nan 8.290 nan 0.000 0.477 352 C N 3.324 122.735 119.300 0.185 0.000 2.608 352 C HA 0.751 5.210 4.460 -0.001 0.000 0.325 352 C C -1.269 173.952 174.990 0.385 0.000 1.147 352 C CA -0.759 58.436 59.018 0.294 0.000 1.359 352 C CB 0.602 28.540 27.740 0.329 0.000 1.912 352 C HN 0.656 nan 8.230 nan 0.000 0.466 353 L N 6.473 127.943 121.223 0.412 0.000 2.322 353 L HA 0.796 5.136 4.340 -0.001 0.000 0.281 353 L C -0.538 176.566 176.870 0.389 0.000 1.014 353 L CA -0.029 55.038 54.840 0.379 0.000 0.815 353 L CB 1.409 43.684 42.059 0.360 0.000 1.247 353 L HN 0.788 nan 8.230 nan 0.000 0.421 354 Y N 0.401 120.808 120.300 0.178 0.000 2.544 354 Y HA 0.623 5.173 4.550 -0.001 0.000 0.342 354 Y C -0.810 175.165 175.900 0.126 0.000 1.062 354 Y CA -1.183 57.004 58.100 0.145 0.000 1.023 354 Y CB 0.991 39.508 38.460 0.095 0.000 1.308 354 Y HN 0.578 nan 8.280 nan 0.000 0.457 355 E N 2.117 122.448 120.200 0.219 0.000 2.316 355 E HA 0.590 4.940 4.350 -0.001 0.000 0.275 355 E C -0.749 175.888 176.600 0.062 0.000 1.029 355 E CA -0.318 56.143 56.400 0.103 0.000 0.871 355 E CB 1.233 31.042 29.700 0.181 0.000 1.022 355 E HN 0.784 nan 8.360 nan 0.000 0.418 356 A N 3.151 125.935 122.820 -0.060 0.000 2.515 356 A HA 0.492 4.812 4.320 -0.001 0.000 0.296 356 A C -0.663 176.870 177.584 -0.085 0.000 1.094 356 A CA -0.961 51.057 52.037 -0.031 0.000 0.718 356 A CB 0.767 19.747 19.000 -0.033 0.000 1.307 356 A HN 0.831 nan 8.150 nan 0.000 0.408 357 N N 1.126 119.782 118.700 -0.074 0.000 2.642 357 N HA -0.163 4.577 4.740 -0.001 0.000 0.269 357 N C -0.486 174.963 175.510 -0.101 0.000 1.073 357 N CA 1.224 54.231 53.050 -0.071 0.000 0.748 357 N CB -0.696 37.776 38.487 -0.026 0.000 0.894 357 N HN 0.930 nan 8.380 nan 0.000 0.548 358 D N 0.003 120.278 120.400 -0.209 0.000 2.708 358 D HA -0.267 4.373 4.640 -0.001 0.000 0.236 358 D C -0.658 175.620 176.300 -0.037 0.000 1.146 358 D CA 1.574 55.468 54.000 -0.178 0.000 0.662 358 D CB -1.115 39.685 40.800 0.000 0.000 1.059 358 D HN 0.676 nan 8.370 nan 0.000 0.428 359 Y N -2.605 117.705 120.300 0.017 0.000 3.929 359 Y HA -0.278 4.271 4.550 -0.001 0.000 0.225 359 Y C 1.354 177.269 175.900 0.025 0.000 1.200 359 Y CA 1.105 59.212 58.100 0.010 0.000 1.791 359 Y CB -2.228 36.223 38.460 -0.015 0.000 1.561 359 Y HN 0.422 nan 8.280 nan 0.000 0.657 360 E N 0.530 120.788 120.200 0.096 0.000 2.481 360 E HA 0.126 4.476 4.350 -0.001 0.000 0.198 360 E C 0.682 177.336 176.600 0.090 0.000 1.027 360 E CA 0.653 57.110 56.400 0.095 0.000 0.900 360 E CB 0.494 30.231 29.700 0.061 0.000 0.993 360 E HN 0.738 nan 8.360 nan 0.000 0.482 361 E N -0.111 120.129 120.200 0.066 0.000 2.409 361 E HA 0.396 4.745 4.350 -0.001 0.000 0.280 361 E C -1.209 175.397 176.600 0.010 0.000 1.079 361 E CA -0.734 55.693 56.400 0.044 0.000 0.840 361 E CB 1.074 30.768 29.700 -0.011 0.000 1.309 361 E HN -0.107 nan 8.360 nan 0.000 0.447 362 I N 1.781 122.361 120.570 0.017 0.000 2.418 362 I HA 0.351 4.520 4.170 -0.001 0.000 0.287 362 I C -0.866 175.178 176.117 -0.122 0.000 1.008 362 I CA -1.207 60.084 61.300 -0.015 0.000 1.104 362 I CB 1.969 40.071 38.000 0.171 0.000 1.264 362 I HN 0.344 nan 8.210 nan 0.000 0.438 363 V N 6.272 125.977 119.914 -0.349 0.000 2.472 363 V HA 0.324 4.443 4.120 -0.001 0.000 0.290 363 V C -0.492 175.544 176.094 -0.097 0.000 1.037 363 V CA -0.645 61.462 62.300 -0.323 0.000 0.908 363 V CB 1.788 33.258 31.823 -0.589 0.000 0.985 363 V HN 0.438 nan 8.190 nan 0.000 0.454 364 F N 5.832 125.732 119.950 -0.084 0.000 2.404 364 F HA 0.718 5.244 4.527 -0.001 0.000 0.354 364 F C -0.836 175.086 175.800 0.204 0.000 1.122 364 F CA -0.888 57.160 58.000 0.080 0.000 1.080 364 F CB 1.129 40.174 39.000 0.074 0.000 1.131 364 F HN 0.305 nan 8.300 nan 0.000 0.471 365 L N 7.361 128.301 121.223 -0.471 0.000 2.341 365 L HA 0.578 4.918 4.340 -0.001 0.000 0.278 365 L C -0.946 175.586 176.870 -0.564 0.000 1.005 365 L CA -0.550 54.117 54.840 -0.290 0.000 0.818 365 L CB 1.767 43.930 42.059 0.173 0.000 1.259 365 L HN 0.808 nan 8.230 nan 0.000 0.418 366 M N 5.705 125.117 119.600 -0.314 0.000 2.197 366 M HA 0.646 5.125 4.480 -0.001 0.000 0.301 366 M C -1.698 174.678 176.300 0.125 0.000 0.987 366 M CA -0.420 54.779 55.300 -0.168 0.000 0.921 366 M CB 1.105 33.679 32.600 -0.043 0.000 1.569 366 M HN 0.510 nan 8.290 nan 0.000 0.431 367 F N 0.839 120.799 119.950 0.017 0.000 2.745 367 F HA 0.925 5.451 4.527 -0.001 0.000 0.316 367 F C -0.891 174.949 175.800 0.067 0.000 1.155 367 F CA -0.748 57.276 58.000 0.041 0.000 0.937 367 F CB 1.041 40.064 39.000 0.039 0.000 1.361 367 F HN 0.531 nan 8.300 nan 0.000 0.472 368 T N -1.058 113.642 114.554 0.244 0.000 2.940 368 T HA 0.434 4.783 4.350 -0.001 0.000 0.288 368 T C 0.239 175.123 174.700 0.308 0.000 1.045 368 T CA -0.584 61.550 62.100 0.056 0.000 1.018 368 T CB 1.760 70.588 68.868 -0.067 0.000 1.151 368 T HN 0.945 nan 8.240 nan 0.000 0.529 369 L N 0.874 122.229 121.223 0.221 0.000 2.093 369 L HA 0.184 4.523 4.340 -0.001 0.000 0.208 369 L C 2.606 179.665 176.870 0.315 0.000 1.085 369 L CA 1.820 56.929 54.840 0.448 0.000 0.755 369 L CB -0.796 41.525 42.059 0.436 0.000 0.904 369 L HN 0.890 nan 8.230 nan 0.000 0.435 370 K N -1.048 119.336 120.400 -0.027 0.000 2.097 370 K HA -0.215 4.104 4.320 -0.001 0.000 0.206 370 K C 2.062 178.630 176.600 -0.055 0.000 1.049 370 K CA 1.753 57.856 56.287 -0.307 0.000 0.933 370 K CB -0.049 32.109 32.500 -0.570 0.000 0.717 370 K HN 0.517 nan 8.250 nan 0.000 0.442 371 Q N -0.498 119.310 119.800 0.013 0.000 2.046 371 Q HA -0.109 4.231 4.340 -0.001 0.000 0.200 371 Q C 2.114 178.104 176.000 -0.016 0.000 0.975 371 Q CA 1.482 57.294 55.803 0.016 0.000 0.836 371 Q CB -0.080 28.696 28.738 0.063 0.000 0.896 371 Q HN 0.380 nan 8.270 nan 0.000 0.428 372 A N 0.135 122.982 122.820 0.045 0.000 1.897 372 A HA -0.031 4.289 4.320 -0.001 0.000 0.215 372 A C 0.544 177.844 177.584 -0.474 0.000 1.181 372 A CA 0.851 52.764 52.037 -0.206 0.000 0.620 372 A CB 0.091 19.067 19.000 -0.040 0.000 0.821 372 A HN 0.293 nan 8.150 nan 0.000 0.443 373 F N -0.308 119.752 119.950 0.183 0.000 2.622 373 F HA 0.312 4.839 4.527 -0.001 0.000 0.338 373 F C -1.701 174.256 175.800 0.263 0.000 1.334 373 F CA -1.874 56.249 58.000 0.206 0.000 1.179 373 F CB 1.490 40.649 39.000 0.265 0.000 1.471 373 F HN 0.096 nan 8.300 nan 0.000 0.576 374 P HA -0.215 nan 4.420 nan 0.000 0.219 374 P C 1.513 178.996 177.300 0.304 0.000 1.146 374 P CA 1.334 64.585 63.100 0.251 0.000 0.808 374 P CB 0.308 32.072 31.700 0.107 0.000 0.779 375 A N 0.162 123.137 122.820 0.258 0.000 2.131 375 A HA -0.183 4.137 4.320 -0.001 0.000 0.220 375 A C 2.151 179.866 177.584 0.218 0.000 1.158 375 A CA 1.587 53.748 52.037 0.206 0.000 0.665 375 A CB -1.086 18.020 19.000 0.176 0.000 0.795 375 A HN 0.098 nan 8.150 nan 0.000 0.460 376 E N -1.732 118.656 120.200 0.314 0.000 2.427 376 E HA 0.107 4.456 4.350 -0.001 0.000 0.196 376 E C -0.379 176.197 176.600 -0.041 0.000 1.028 376 E CA 0.440 56.953 56.400 0.190 0.000 0.864 376 E CB -0.081 29.800 29.700 0.302 0.000 0.813 376 E HN 0.691 nan 8.360 nan 0.000 0.514 377 Y N 0.000 120.387 120.300 0.146 0.000 2.660 377 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 377 Y CA 0.000 58.162 58.100 0.104 0.000 1.940 377 Y CB 0.000 38.516 38.460 0.094 0.000 1.050 377 Y HN 0.000 nan 8.280 nan 0.000 0.758