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 2o7e_1_H DATA FIRST_RESID 8 DATA SEQUENCE KPAVELDRHI DLDQAHAVAS GGARIVLAPP ARDRCRASEA RLGAVIREAR DATA SEQUENCE HVYGLTTGFG PLANRLISGE NVRTLQANLV HFLASGVGPV LDWTTARAMV DATA SEQUENCE LARLVSIAQG ASGASEGTIA RLIDLLNSEL APAVPSRGTV GXXXDLTPLA DATA SEQUENCE HMVLCLQGRG DFLDRDGTRL DGAEGLRRGR LQPLDLSHRD ALALVNGTSA DATA SEQUENCE MTGIALVNAH ACRHLGNWAV ALTALLAECL RGRTEAWAAA LSDLRPHPGQ DATA SEQUENCE KDAAARLRAR VDGSARVVRH VIAERRLDAG DIGTEPEAGQ DAYSLRCAPQ DATA SEQUENCE VLGAGFDTLA WHDRVLTIEL NAVTDNPVFP PDGSVPALHG GNFMGQHVAL DATA SEQUENCE TSDALATAVT VLAGLAERQI ARLTDERLNR GLPPFLHRGP AGLNSGFMGA DATA SEQUENCE QVTATALLAE MRATGPASIH SISTNAANQD VVSLGTIAAR LCREKIDRWA DATA SEQUENCE EILAILALCL AQAAELRCGS GLDGVSPAGK KLVQALREQF PPLETDRPLG DATA SEQUENCE QEIAALATHL LQQSPV 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 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.612 176.600 0.019 0.000 0.988 8 K CA 0.000 56.299 56.287 0.020 0.000 0.838 8 K CB 0.000 32.514 32.500 0.023 0.000 1.064 9 P HA 0.047 nan 4.420 nan 0.000 0.264 9 P C -1.490 175.820 177.300 0.017 0.000 1.179 9 P CA -0.057 63.055 63.100 0.021 0.000 0.763 9 P CB 0.657 32.373 31.700 0.027 0.000 0.806 10 A N 2.430 125.258 122.820 0.014 0.000 2.330 10 A HA 0.521 4.841 4.320 0.000 0.000 0.313 10 A C -0.787 176.802 177.584 0.008 0.000 1.124 10 A CA -0.590 51.453 52.037 0.009 0.000 0.774 10 A CB 1.112 20.117 19.000 0.008 0.000 1.198 10 A HN 0.341 nan 8.150 nan 0.000 0.465 11 V N 2.806 122.722 119.914 0.004 0.000 2.350 11 V HA 0.260 4.380 4.120 0.000 0.000 0.276 11 V C 0.344 176.437 176.094 -0.001 0.000 1.028 11 V CA -0.324 61.977 62.300 0.001 0.000 0.860 11 V CB 1.129 32.948 31.823 -0.006 0.000 0.990 11 V HN 0.954 nan 8.190 nan 0.000 0.453 12 E N 4.706 124.908 120.200 0.003 0.000 2.089 12 E HA 0.344 4.694 4.350 0.000 0.000 0.284 12 E C -0.876 175.725 176.600 0.002 0.000 1.023 12 E CA -0.773 55.628 56.400 0.003 0.000 0.819 12 E CB 1.162 30.866 29.700 0.007 0.000 1.076 12 E HN 0.570 nan 8.360 nan 0.000 0.396 13 L N 5.289 126.510 121.223 -0.003 0.000 2.290 13 L HA 0.281 4.621 4.340 0.000 0.000 0.284 13 L C -0.172 176.699 176.870 0.003 0.000 1.078 13 L CA 0.537 55.374 54.840 -0.006 0.000 0.815 13 L CB 1.293 43.342 42.059 -0.016 0.000 1.162 13 L HN 0.717 nan 8.230 nan 0.000 0.435 14 D N 2.695 123.102 120.400 0.011 0.000 3.074 14 D HA 0.190 4.830 4.640 0.000 0.000 0.227 14 D C 1.347 177.660 176.300 0.022 0.000 1.553 14 D CA 0.706 54.716 54.000 0.017 0.000 1.347 14 D CB 0.712 41.526 40.800 0.023 0.000 1.021 14 D HN 0.583 nan 8.370 nan 0.000 0.260 15 R N -1.699 118.825 120.500 0.040 0.000 2.215 15 R HA 0.212 4.552 4.340 0.000 0.000 0.190 15 R C 0.145 176.496 176.300 0.084 0.000 0.968 15 R CA -0.138 55.994 56.100 0.052 0.000 1.122 15 R CB 0.639 30.973 30.300 0.056 0.000 1.151 15 R HN 0.205 nan 8.270 nan 0.000 0.582 16 H N -0.042 119.023 119.070 -0.007 0.000 2.569 16 H HA 0.573 5.129 4.556 0.000 0.000 0.357 16 H C -1.457 173.867 175.328 -0.006 0.000 1.153 16 H CA -0.694 55.349 56.048 -0.009 0.000 1.193 16 H CB 1.603 31.360 29.762 -0.008 0.000 1.602 16 H HN 0.011 nan 8.280 nan 0.000 0.523 17 I N 4.168 124.376 120.570 -0.603 0.000 2.607 17 I HA 0.245 4.415 4.170 0.000 0.000 0.290 17 I C -1.211 174.596 176.117 -0.516 0.000 1.129 17 I CA -0.809 60.278 61.300 -0.354 0.000 1.042 17 I CB 1.462 39.349 38.000 -0.187 0.000 1.242 17 I HN 0.860 nan 8.210 nan 0.000 0.421 18 D N 6.210 126.485 120.400 -0.208 0.000 2.411 18 D HA 0.195 4.835 4.640 0.000 0.000 0.251 18 D C 0.998 177.267 176.300 -0.051 0.000 1.201 18 D CA -0.511 53.442 54.000 -0.078 0.000 0.996 18 D CB 0.882 41.722 40.800 0.067 0.000 1.101 18 D HN 0.509 nan 8.370 nan 0.000 0.504 19 L N -0.537 120.685 121.223 -0.002 0.000 2.131 19 L HA -0.117 4.223 4.340 0.000 0.000 0.210 19 L C 1.452 178.359 176.870 0.063 0.000 1.092 19 L CA 1.265 56.121 54.840 0.026 0.000 0.759 19 L CB -0.472 41.615 42.059 0.046 0.000 0.903 19 L HN 0.424 nan 8.230 nan 0.000 0.435 20 D N -0.237 120.200 120.400 0.062 0.000 2.149 20 D HA -0.152 4.488 4.640 0.000 0.000 0.201 20 D C 2.321 178.666 176.300 0.075 0.000 0.972 20 D CA 0.972 55.024 54.000 0.088 0.000 0.835 20 D CB -0.057 40.786 40.800 0.072 0.000 0.966 20 D HN 0.399 nan 8.370 nan 0.000 0.476 21 Q N 0.439 120.263 119.800 0.039 0.000 2.079 21 Q HA -0.041 4.299 4.340 0.000 0.000 0.200 21 Q C 2.242 178.244 176.000 0.005 0.000 0.974 21 Q CA 1.295 57.109 55.803 0.019 0.000 0.840 21 Q CB -0.094 28.643 28.738 -0.002 0.000 0.898 21 Q HN 0.195 nan 8.270 nan 0.000 0.430 22 A N 0.975 123.792 122.820 -0.005 0.000 1.883 22 A HA -0.253 4.067 4.320 0.000 0.000 0.217 22 A C 1.969 179.542 177.584 -0.018 0.000 1.186 22 A CA 1.712 53.735 52.037 -0.023 0.000 0.624 22 A CB -0.863 18.120 19.000 -0.028 0.000 0.822 22 A HN 0.449 nan 8.150 nan 0.000 0.444 23 H N -0.096 118.930 119.070 -0.074 0.000 2.428 23 H HA 0.046 4.602 4.556 0.000 0.000 0.296 23 H C 2.250 177.506 175.328 -0.121 0.000 1.062 23 H CA 1.411 57.380 56.048 -0.132 0.000 1.350 23 H CB -0.163 29.450 29.762 -0.249 0.000 1.403 23 H HN 0.411 nan 8.280 nan 0.000 0.533 24 A N 0.435 123.278 122.820 0.039 0.000 1.933 24 A HA -0.103 4.217 4.320 0.000 0.000 0.218 24 A C 2.799 180.361 177.584 -0.037 0.000 1.175 24 A CA 1.627 53.681 52.037 0.029 0.000 0.628 24 A CB -0.770 18.261 19.000 0.051 0.000 0.814 24 A HN 0.290 nan 8.150 nan 0.000 0.444 25 V N -0.431 119.446 119.914 -0.061 0.000 2.346 25 V HA -0.142 3.978 4.120 0.000 0.000 0.244 25 V C 3.038 179.046 176.094 -0.144 0.000 1.037 25 V CA 1.680 63.934 62.300 -0.077 0.000 1.029 25 V CB -1.204 30.578 31.823 -0.070 0.000 0.663 25 V HN 0.590 nan 8.190 nan 0.000 0.454 26 A N 0.981 123.674 122.820 -0.210 0.000 1.908 26 A HA -0.202 4.119 4.320 0.000 0.000 0.218 26 A C 2.388 179.759 177.584 -0.355 0.000 1.181 26 A CA 2.253 54.106 52.037 -0.305 0.000 0.627 26 A CB -0.722 18.095 19.000 -0.305 0.000 0.818 26 A HN 0.688 nan 8.150 nan 0.000 0.445 27 S N -1.742 113.769 115.700 -0.315 0.000 2.607 27 S HA 0.357 4.827 4.470 0.000 0.000 0.224 27 S C 1.387 176.111 174.600 0.207 0.000 0.969 27 S CA 1.006 59.167 58.200 -0.066 0.000 0.927 27 S CB -0.463 62.614 63.200 -0.204 0.000 0.772 27 S HN 1.955 nan 8.310 nan 0.000 0.533 28 G N 0.410 109.263 108.800 0.087 0.000 2.148 28 G HA2 -0.214 3.746 3.960 0.000 0.000 0.254 28 G HA3 -0.214 3.746 3.960 0.000 0.000 0.254 28 G C 0.793 175.764 174.900 0.118 0.000 0.981 28 G CA 0.125 45.334 45.100 0.182 0.000 0.670 28 G HN 0.961 nan 8.290 nan 0.000 0.528 29 G N -0.671 108.174 108.800 0.074 0.000 2.623 29 G HA2 0.595 4.555 3.960 0.000 0.000 0.214 29 G HA3 0.595 4.555 3.960 0.000 0.000 0.214 29 G C 0.629 175.557 174.900 0.048 0.000 1.138 29 G CA 1.725 46.865 45.100 0.066 0.000 0.794 29 G HN 1.822 nan 8.290 nan 0.000 0.535 30 A N -0.502 122.337 122.820 0.032 0.000 2.587 30 A HA 0.795 5.115 4.320 0.000 0.000 0.293 30 A C -0.415 177.175 177.584 0.011 0.000 1.087 30 A CA -0.865 51.184 52.037 0.022 0.000 0.692 30 A CB 1.457 20.467 19.000 0.018 0.000 1.291 30 A HN 0.183 nan 8.150 nan 0.000 0.407 31 R N -0.262 120.243 120.500 0.009 0.000 2.549 31 R HA 0.629 4.969 4.340 0.000 0.000 0.267 31 R C -1.022 175.274 176.300 -0.006 0.000 1.045 31 R CA -0.534 55.567 56.100 0.002 0.000 1.115 31 R CB 1.369 31.673 30.300 0.006 0.000 1.121 31 R HN 0.608 nan 8.270 nan 0.000 0.543 32 I N 0.964 121.527 120.570 -0.012 0.000 2.474 32 I HA 0.317 4.487 4.170 0.000 0.000 0.294 32 I C -1.270 174.840 176.117 -0.011 0.000 1.005 32 I CA -0.595 60.696 61.300 -0.016 0.000 1.113 32 I CB 1.902 39.886 38.000 -0.027 0.000 1.289 32 I HN 0.198 nan 8.210 nan 0.000 0.436 33 V N 7.637 127.546 119.914 -0.009 0.000 2.709 33 V HA 0.396 4.516 4.120 0.000 0.000 0.308 33 V C -0.738 175.353 176.094 -0.005 0.000 1.062 33 V CA -0.784 61.513 62.300 -0.006 0.000 0.901 33 V CB 1.798 33.620 31.823 -0.002 0.000 1.003 33 V HN 0.575 nan 8.190 nan 0.000 0.425 34 L N 4.491 125.711 121.223 -0.005 0.000 2.281 34 L HA 0.714 5.054 4.340 0.000 0.000 0.285 34 L C 0.774 177.644 176.870 0.000 0.000 1.074 34 L CA 0.406 55.244 54.840 -0.003 0.000 0.817 34 L CB 0.817 42.874 42.059 -0.003 0.000 1.168 34 L HN 0.865 nan 8.230 nan 0.000 0.434 35 A N 6.952 129.774 122.820 0.002 0.000 2.466 35 A HA 0.335 4.655 4.320 0.000 0.000 0.238 35 A C -1.587 176.000 177.584 0.005 0.000 1.074 35 A CA -0.680 51.360 52.037 0.005 0.000 0.774 35 A CB -0.409 18.596 19.000 0.008 0.000 1.015 35 A HN 0.788 nan 8.150 nan 0.000 0.498 36 P HA -0.160 nan 4.420 nan 0.000 0.214 36 P C -1.289 176.014 177.300 0.005 0.000 1.163 36 P CA 2.054 65.157 63.100 0.004 0.000 0.889 36 P CB -0.737 30.965 31.700 0.004 0.000 0.790 37 P HA -0.163 nan 4.420 nan 0.000 0.218 37 P C 1.307 178.613 177.300 0.009 0.000 1.149 37 P CA 1.924 65.029 63.100 0.008 0.000 0.817 37 P CB -0.425 31.281 31.700 0.009 0.000 0.785 38 A N 0.725 123.550 122.820 0.009 0.000 1.873 38 A HA -0.172 4.148 4.320 0.000 0.000 0.215 38 A C 2.576 180.165 177.584 0.008 0.000 1.186 38 A CA 1.615 53.657 52.037 0.010 0.000 0.616 38 A CB -1.368 17.637 19.000 0.008 0.000 0.823 38 A HN 0.049 nan 8.150 nan 0.000 0.442 39 R N -0.274 120.230 120.500 0.006 0.000 2.091 39 R HA -0.190 4.150 4.340 0.000 0.000 0.238 39 R C 1.395 177.698 176.300 0.005 0.000 1.136 39 R CA 1.998 58.100 56.100 0.004 0.000 0.959 39 R CB -0.374 29.927 30.300 0.002 0.000 0.856 39 R HN 0.500 nan 8.270 nan 0.000 0.437 40 D N -0.044 120.360 120.400 0.006 0.000 2.117 40 D HA -0.137 4.503 4.640 0.000 0.000 0.198 40 D C 2.032 178.338 176.300 0.009 0.000 0.982 40 D CA 1.061 55.065 54.000 0.006 0.000 0.828 40 D CB -0.177 40.627 40.800 0.006 0.000 0.967 40 D HN 0.308 nan 8.370 nan 0.000 0.464 41 R N 0.165 120.671 120.500 0.011 0.000 2.096 41 R HA -0.079 4.261 4.340 0.000 0.000 0.235 41 R C 2.529 178.840 176.300 0.019 0.000 1.127 41 R CA 0.960 57.070 56.100 0.016 0.000 0.968 41 R CB -0.499 29.812 30.300 0.018 0.000 0.861 41 R HN 0.232 nan 8.270 nan 0.000 0.440 42 C N 0.005 119.315 119.300 0.016 0.000 2.446 42 C HA -0.008 4.452 4.460 0.000 0.000 0.277 42 C C 2.590 177.587 174.990 0.011 0.000 1.275 42 C CA 0.417 59.446 59.018 0.018 0.000 1.727 42 C CB -0.762 26.987 27.740 0.015 0.000 2.010 42 C HN 0.464 nan 8.230 nan 0.000 0.486 43 R N 1.226 121.730 120.500 0.006 0.000 2.105 43 R HA -0.131 4.209 4.340 0.000 0.000 0.239 43 R C 2.346 178.646 176.300 0.000 0.000 1.135 43 R CA 1.661 57.762 56.100 0.001 0.000 0.967 43 R CB -0.506 29.794 30.300 0.000 0.000 0.861 43 R HN 0.558 nan 8.270 nan 0.000 0.442 44 A N 0.228 123.050 122.820 0.004 0.000 1.969 44 A HA -0.163 4.157 4.320 0.000 0.000 0.218 44 A C 2.188 179.771 177.584 -0.001 0.000 1.169 44 A CA 1.757 53.796 52.037 0.003 0.000 0.635 44 A CB -0.442 18.563 19.000 0.009 0.000 0.810 44 A HN 0.302 nan 8.150 nan 0.000 0.445 45 S N -0.802 114.902 115.700 0.007 0.000 2.371 45 S HA -0.170 4.300 4.470 0.000 0.000 0.224 45 S C 2.009 176.581 174.600 -0.047 0.000 1.029 45 S CA 1.418 59.621 58.200 0.004 0.000 0.978 45 S CB -0.339 62.891 63.200 0.049 0.000 0.833 45 S HN 0.664 nan 8.310 nan 0.000 0.466 46 E N 0.401 120.587 120.200 -0.023 0.000 2.130 46 E HA -0.164 4.186 4.350 0.000 0.000 0.196 46 E C 2.010 178.593 176.600 -0.029 0.000 0.998 46 E CA 1.153 57.541 56.400 -0.021 0.000 0.806 46 E CB -0.350 29.347 29.700 -0.005 0.000 0.738 46 E HN 0.619 nan 8.360 nan 0.000 0.459 47 A N 1.056 123.858 122.820 -0.029 0.000 1.930 47 A HA -0.127 4.193 4.320 0.000 0.000 0.217 47 A C 2.112 179.656 177.584 -0.066 0.000 1.175 47 A CA 1.091 53.111 52.037 -0.029 0.000 0.627 47 A CB -0.313 18.677 19.000 -0.017 0.000 0.815 47 A HN 0.163 nan 8.150 nan 0.000 0.443 48 R N -1.143 119.300 120.500 -0.095 0.000 2.092 48 R HA -0.066 4.274 4.340 0.000 0.000 0.231 48 R C 2.089 178.223 176.300 -0.277 0.000 1.119 48 R CA 1.298 57.316 56.100 -0.135 0.000 0.970 48 R CB -0.580 29.663 30.300 -0.096 0.000 0.864 48 R HN 0.490 nan 8.270 nan 0.000 0.440 49 L N 0.704 121.686 121.223 -0.401 0.000 2.017 49 L HA -0.034 4.306 4.340 0.000 0.000 0.208 49 L C 2.150 178.810 176.870 -0.349 0.000 1.073 49 L CA 2.150 56.656 54.840 -0.557 0.000 0.745 49 L CB -1.066 40.734 42.059 -0.432 0.000 0.894 49 L HN 0.169 nan 8.230 nan 0.000 0.432 50 G N -1.098 107.583 108.800 -0.197 0.000 2.442 50 G HA2 -0.266 3.694 3.960 0.000 0.000 0.219 50 G HA3 -0.266 3.694 3.960 0.000 0.000 0.219 50 G C 1.574 176.373 174.900 -0.168 0.000 1.141 50 G CA 0.879 45.871 45.100 -0.181 0.000 0.763 50 G HN 0.664 nan 8.290 nan 0.000 0.554 51 A N 0.034 122.778 122.820 -0.126 0.000 1.897 51 A HA 0.153 4.473 4.320 0.000 0.000 0.215 51 A C 2.597 180.129 177.584 -0.087 0.000 1.181 51 A CA 1.605 53.592 52.037 -0.084 0.000 0.620 51 A CB -0.554 18.411 19.000 -0.057 0.000 0.821 51 A HN 0.234 nan 8.150 nan 0.000 0.443 52 V N 0.536 120.379 119.914 -0.118 0.000 2.287 52 V HA -0.307 3.813 4.120 0.000 0.000 0.248 52 V C 2.438 178.493 176.094 -0.066 0.000 1.053 52 V CA 2.239 64.499 62.300 -0.066 0.000 1.027 52 V CB -0.694 31.085 31.823 -0.072 0.000 0.646 52 V HN 0.584 nan 8.190 nan 0.000 0.447 53 I N -0.559 119.923 120.570 -0.147 0.000 2.252 53 I HA -0.241 3.929 4.170 0.000 0.000 0.245 53 I C 2.717 178.775 176.117 -0.098 0.000 1.102 53 I CA 1.619 62.832 61.300 -0.145 0.000 1.385 53 I CB -0.436 37.384 38.000 -0.300 0.000 1.064 53 I HN 0.204 nan 8.210 nan 0.000 0.414 54 R N 1.415 121.854 120.500 -0.102 0.000 2.091 54 R HA -0.185 4.155 4.340 0.000 0.000 0.238 54 R C 1.891 178.170 176.300 -0.035 0.000 1.136 54 R CA 1.592 57.656 56.100 -0.059 0.000 0.959 54 R CB -0.117 30.152 30.300 -0.052 0.000 0.856 54 R HN 0.366 nan 8.270 nan 0.000 0.437 55 E N -0.682 119.501 120.200 -0.029 0.000 2.502 55 E HA 0.113 4.463 4.350 0.000 0.000 0.194 55 E C 0.105 176.706 176.600 0.001 0.000 1.062 55 E CA 0.419 56.813 56.400 -0.009 0.000 0.867 55 E CB 0.399 30.099 29.700 0.001 0.000 0.888 55 E HN 0.447 nan 8.360 nan 0.000 0.510 56 A N 1.937 124.754 122.820 -0.005 0.000 2.791 56 A HA -0.221 4.099 4.320 0.000 0.000 0.292 56 A C -0.030 177.574 177.584 0.033 0.000 1.487 56 A CA 0.497 52.537 52.037 0.004 0.000 0.760 56 A CB -1.301 17.696 19.000 -0.005 0.000 1.031 56 A HN 0.120 nan 8.150 nan 0.000 0.503 57 R N 0.132 120.665 120.500 0.056 0.000 2.594 57 R HA 0.150 4.490 4.340 0.000 0.000 0.272 57 R C 0.510 176.910 176.300 0.166 0.000 1.074 57 R CA -0.168 55.995 56.100 0.105 0.000 1.105 57 R CB 0.167 30.538 30.300 0.119 0.000 1.008 57 R HN 0.716 nan 8.270 nan 0.000 0.472 58 H N 1.883 120.985 119.070 0.054 0.000 3.157 58 H HA 0.233 4.789 4.556 0.000 0.000 0.260 58 H C -0.871 174.519 175.328 0.102 0.000 1.232 58 H CA -0.414 55.660 56.048 0.042 0.000 1.488 58 H CB 0.192 29.957 29.762 0.005 0.000 1.548 58 H HN 0.050 nan 8.280 nan 0.000 0.487 59 V N 5.875 125.974 119.914 0.309 0.000 2.789 59 V HA 0.019 4.139 4.120 0.000 0.000 0.311 59 V C -0.704 175.600 176.094 0.350 0.000 1.073 59 V CA -1.018 61.493 62.300 0.352 0.000 0.921 59 V CB 1.508 33.530 31.823 0.332 0.000 1.009 59 V HN 0.620 nan 8.190 nan 0.000 0.426 60 Y N 3.224 123.761 120.300 0.396 0.000 2.632 60 Y HA 0.405 4.955 4.550 0.000 0.000 0.329 60 Y C 1.342 177.325 175.900 0.139 0.000 1.174 60 Y CA 1.579 59.807 58.100 0.213 0.000 1.469 60 Y CB 0.603 39.243 38.460 0.300 0.000 1.242 60 Y HN 1.025 nan 8.280 nan 0.000 0.540 61 G N 4.111 112.576 108.800 -0.558 0.000 2.234 61 G HA2 -0.312 3.648 3.960 0.000 0.000 0.260 61 G HA3 -0.312 3.648 3.960 0.000 0.000 0.260 61 G C 0.685 175.521 174.900 -0.107 0.000 0.987 61 G CA 0.633 45.500 45.100 -0.389 0.000 0.625 61 G HN 0.669 nan 8.290 nan 0.000 0.532 62 L N 0.041 121.249 121.223 -0.025 0.000 2.500 62 L HA 0.299 4.639 4.340 0.000 0.000 0.219 62 L C 2.124 178.987 176.870 -0.012 0.000 1.057 62 L CA 1.612 56.467 54.840 0.025 0.000 0.854 62 L CB 0.511 42.626 42.059 0.093 0.000 1.078 62 L HN 0.485 nan 8.230 nan 0.000 0.480 63 T N -4.191 110.352 114.554 -0.017 0.000 3.475 63 T HA 0.184 4.534 4.350 0.000 0.000 0.310 63 T C 0.183 174.847 174.700 -0.061 0.000 0.963 63 T CA 0.097 62.181 62.100 -0.027 0.000 0.985 63 T CB -0.024 68.856 68.868 0.020 0.000 1.198 63 T HN 0.161 nan 8.240 nan 0.000 0.508 64 T N -1.935 112.528 114.554 -0.151 0.000 2.841 64 T HA 0.789 5.139 4.350 0.000 0.000 0.296 64 T C 0.550 174.978 174.700 -0.453 0.000 1.166 64 T CA -0.279 61.708 62.100 -0.189 0.000 1.007 64 T CB 1.412 70.259 68.868 -0.034 0.000 1.253 64 T HN 0.327 nan 8.240 nan 0.000 0.511 65 G N -0.215 108.378 108.800 -0.345 0.000 2.553 65 G HA2 0.564 4.524 3.960 0.000 0.000 0.278 65 G HA3 0.564 4.524 3.960 0.000 0.000 0.278 65 G C -1.084 173.445 174.900 -0.617 0.000 1.349 65 G CA -0.774 44.066 45.100 -0.434 0.000 1.037 65 G HN 0.547 nan 8.290 nan 0.000 0.508 66 F N -0.909 119.029 119.950 -0.021 0.000 2.483 66 F HA 0.602 5.129 4.527 0.000 0.000 0.329 66 F C 1.204 177.135 175.800 0.219 0.000 1.064 66 F CA 0.417 58.479 58.000 0.103 0.000 0.986 66 F CB 1.417 40.528 39.000 0.185 0.000 1.218 66 F HN 1.013 nan 8.300 nan 0.000 0.484 67 G N 1.889 111.025 108.800 0.560 0.000 2.634 67 G HA2 -0.296 3.664 3.960 0.000 0.000 0.309 67 G HA3 -0.296 3.664 3.960 0.000 0.000 0.309 67 G C -1.874 173.141 174.900 0.192 0.000 1.265 67 G CA -0.017 45.255 45.100 0.286 0.000 0.998 67 G HN 0.519 nan 8.290 nan 0.000 0.551 68 P HA 0.159 nan 4.420 nan 0.000 0.234 68 P C 1.623 178.960 177.300 0.063 0.000 1.167 68 P CA 0.698 63.842 63.100 0.073 0.000 0.763 68 P CB -0.074 31.654 31.700 0.046 0.000 0.835 69 L N -1.771 119.493 121.223 0.069 0.000 2.611 69 L HA 0.207 4.547 4.340 0.000 0.000 0.229 69 L C 1.999 178.885 176.870 0.026 0.000 1.137 69 L CA 0.052 54.909 54.840 0.028 0.000 0.901 69 L CB -0.615 41.442 42.059 -0.003 0.000 1.098 69 L HN -0.049 nan 8.230 nan 0.000 0.456 70 A N 1.441 124.316 122.820 0.092 0.000 2.121 70 A HA -0.178 4.143 4.320 0.000 0.000 0.218 70 A C 2.008 179.638 177.584 0.078 0.000 1.154 70 A CA 1.444 53.549 52.037 0.114 0.000 0.679 70 A CB -0.506 18.662 19.000 0.280 0.000 0.795 70 A HN 0.651 nan 8.150 nan 0.000 0.458 71 N N -0.441 118.291 118.700 0.054 0.000 2.550 71 N HA -0.065 4.675 4.740 0.000 0.000 0.186 71 N C 0.055 175.567 175.510 0.002 0.000 1.110 71 N CA 0.343 53.415 53.050 0.037 0.000 0.912 71 N CB -0.216 38.287 38.487 0.026 0.000 0.968 71 N HN 0.207 nan 8.380 nan 0.000 0.448 72 R N 1.024 121.515 120.500 -0.015 0.000 2.204 72 R HA 0.387 4.727 4.340 0.000 0.000 0.341 72 R C -0.230 176.031 176.300 -0.064 0.000 1.035 72 R CA -0.294 55.782 56.100 -0.041 0.000 0.887 72 R CB 0.736 31.009 30.300 -0.046 0.000 1.114 72 R HN 0.149 nan 8.270 nan 0.000 0.473 73 L N 4.183 125.361 121.223 -0.076 0.000 2.397 73 L HA 0.327 4.667 4.340 0.000 0.000 0.271 73 L C 0.147 176.963 176.870 -0.089 0.000 1.148 73 L CA -0.290 54.489 54.840 -0.103 0.000 0.825 73 L CB 0.516 42.486 42.059 -0.147 0.000 1.117 73 L HN 0.346 nan 8.230 nan 0.000 0.456 74 I N 1.339 121.854 120.570 -0.091 0.000 2.493 74 I HA 0.259 4.429 4.170 0.000 0.000 0.298 74 I C 0.449 176.531 176.117 -0.058 0.000 0.998 74 I CA -0.383 60.871 61.300 -0.075 0.000 1.137 74 I CB 1.866 39.811 38.000 -0.091 0.000 1.310 74 I HN 0.631 nan 8.210 nan 0.000 0.445 75 S N 2.722 118.396 115.700 -0.044 0.000 2.617 75 S HA 0.345 4.815 4.470 0.000 0.000 0.269 75 S C 1.219 175.804 174.600 -0.025 0.000 1.292 75 S CA -0.052 58.128 58.200 -0.033 0.000 1.010 75 S CB 1.397 64.581 63.200 -0.026 0.000 0.944 75 S HN 0.862 nan 8.310 nan 0.000 0.536 76 G N 0.276 109.064 108.800 -0.020 0.000 2.448 76 G HA2 -0.101 3.859 3.960 0.000 0.000 0.219 76 G HA3 -0.101 3.859 3.960 0.000 0.000 0.219 76 G C 0.941 175.839 174.900 -0.004 0.000 1.127 76 G CA 0.275 45.367 45.100 -0.013 0.000 0.766 76 G HN 0.865 nan 8.290 nan 0.000 0.552 77 E N 0.485 120.682 120.200 -0.005 0.000 2.516 77 E HA 0.001 4.351 4.350 0.000 0.000 0.199 77 E C 0.795 177.397 176.600 0.003 0.000 1.069 77 E CA 0.156 56.556 56.400 0.000 0.000 0.876 77 E CB 0.114 29.813 29.700 -0.002 0.000 0.843 77 E HN 0.364 nan 8.360 nan 0.000 0.530 78 N N -0.389 118.311 118.700 0.000 0.000 2.184 78 N HA 0.035 4.775 4.740 0.000 0.000 0.234 78 N C 1.127 176.642 175.510 0.009 0.000 1.282 78 N CA 0.122 53.174 53.050 0.004 0.000 0.877 78 N CB 1.202 39.687 38.487 -0.003 0.000 1.184 78 N HN -0.043 nan 8.380 nan 0.000 0.510 79 V N 1.178 121.099 119.914 0.011 0.000 2.407 79 V HA -0.178 3.942 4.120 0.000 0.000 0.248 79 V C 2.459 178.577 176.094 0.040 0.000 1.055 79 V CA 1.429 63.743 62.300 0.023 0.000 1.049 79 V CB -0.192 31.648 31.823 0.028 0.000 0.662 79 V HN 0.225 nan 8.190 nan 0.000 0.455 80 R N 0.255 120.776 120.500 0.034 0.000 2.080 80 R HA -0.132 4.208 4.340 0.000 0.000 0.236 80 R C 2.397 178.707 176.300 0.017 0.000 1.137 80 R CA 2.058 58.174 56.100 0.026 0.000 0.943 80 R CB -1.406 28.905 30.300 0.019 0.000 0.846 80 R HN 0.523 nan 8.270 nan 0.000 0.431 81 T N 2.471 117.037 114.554 0.020 0.000 2.708 81 T HA -0.146 4.204 4.350 0.000 0.000 0.266 81 T C 1.902 176.629 174.700 0.044 0.000 1.037 81 T CA 1.212 63.325 62.100 0.022 0.000 1.146 81 T CB -0.373 68.512 68.868 0.027 0.000 0.865 81 T HN 0.084 nan 8.240 nan 0.000 0.435 82 L N 1.410 122.672 121.223 0.064 0.000 1.978 82 L HA -0.200 4.140 4.340 0.000 0.000 0.218 82 L C 2.433 179.431 176.870 0.214 0.000 1.075 82 L CA 1.899 56.817 54.840 0.129 0.000 0.767 82 L CB -0.725 41.375 42.059 0.068 0.000 0.890 82 L HN 0.283 nan 8.230 nan 0.000 0.434 83 Q N -1.019 118.869 119.800 0.146 0.000 2.297 83 Q HA -0.076 4.264 4.340 0.000 0.000 0.204 83 Q C 2.158 178.131 176.000 -0.045 0.000 0.962 83 Q CA 1.108 56.970 55.803 0.098 0.000 0.879 83 Q CB -0.264 28.519 28.738 0.075 0.000 0.947 83 Q HN 0.715 nan 8.270 nan 0.000 0.462 84 A N 1.604 124.379 122.820 -0.075 0.000 1.929 84 A HA -0.151 4.169 4.320 0.000 0.000 0.216 84 A C 1.752 179.110 177.584 -0.376 0.000 1.176 84 A CA 1.174 53.070 52.037 -0.236 0.000 0.628 84 A CB -0.216 18.675 19.000 -0.183 0.000 0.816 84 A HN 0.247 nan 8.150 nan 0.000 0.444 85 N N -0.192 118.441 118.700 -0.112 0.000 2.270 85 N HA -0.087 4.653 4.740 0.000 0.000 0.181 85 N C 1.572 177.143 175.510 0.103 0.000 1.016 85 N CA 1.157 54.233 53.050 0.044 0.000 0.870 85 N CB -0.479 38.123 38.487 0.191 0.000 0.979 85 N HN 0.430 nan 8.380 nan 0.000 0.431 86 L N 1.063 122.278 121.223 -0.014 0.000 2.012 86 L HA -0.121 4.219 4.340 0.000 0.000 0.210 86 L C 1.934 178.394 176.870 -0.684 0.000 1.073 86 L CA 1.467 56.050 54.840 -0.428 0.000 0.748 86 L CB -0.671 41.022 42.059 -0.611 0.000 0.891 86 L HN -0.108 nan 8.230 nan 0.000 0.431 87 V N -0.444 119.220 119.914 -0.417 0.000 2.407 87 V HA -0.335 3.785 4.120 0.000 0.000 0.248 87 V C 2.376 178.327 176.094 -0.238 0.000 1.055 87 V CA 2.213 64.305 62.300 -0.347 0.000 1.049 87 V CB -0.997 30.673 31.823 -0.254 0.000 0.662 87 V HN 0.625 nan 8.190 nan 0.000 0.455 88 H N -0.329 118.615 119.070 -0.209 0.000 2.276 88 H HA -0.165 4.391 4.556 0.000 0.000 0.301 88 H C 2.248 177.516 175.328 -0.100 0.000 1.073 88 H CA 1.866 57.839 56.048 -0.124 0.000 1.311 88 H CB -0.254 29.498 29.762 -0.018 0.000 1.379 88 H HN 0.601 nan 8.280 nan 0.000 0.494 89 F N 0.746 120.725 119.950 0.048 0.000 2.365 89 F HA -0.028 4.499 4.527 0.000 0.000 0.300 89 F C 1.608 177.383 175.800 -0.042 0.000 1.090 89 F CA 0.766 58.765 58.000 -0.002 0.000 1.408 89 F CB -0.678 38.325 39.000 0.005 0.000 1.060 89 F HN 0.003 nan 8.300 nan 0.000 0.534 90 L N 0.610 121.470 121.223 -0.606 0.000 2.418 90 L HA 0.235 4.575 4.340 0.000 0.000 0.218 90 L C 1.916 178.642 176.870 -0.240 0.000 1.125 90 L CA 0.398 54.965 54.840 -0.454 0.000 0.835 90 L CB -0.632 41.042 42.059 -0.641 0.000 0.953 90 L HN 0.268 nan 8.230 nan 0.000 0.454 91 A N 0.173 122.820 122.820 -0.288 0.000 3.029 91 A HA 0.130 4.450 4.320 0.000 0.000 0.251 91 A C 1.245 178.800 177.584 -0.048 0.000 1.749 91 A CA 0.278 52.027 52.037 -0.479 0.000 1.386 91 A CB -0.678 17.955 19.000 -0.611 0.000 1.043 91 A HN 0.361 nan 8.150 nan 0.000 0.638 92 S N -0.681 115.091 115.700 0.120 0.000 2.574 92 S HA 0.385 4.855 4.470 0.000 0.000 0.242 92 S C 0.853 175.552 174.600 0.165 0.000 0.982 92 S CA 0.050 58.335 58.200 0.142 0.000 0.977 92 S CB 0.071 63.325 63.200 0.090 0.000 0.814 92 S HN 0.723 nan 8.310 nan 0.000 0.464 93 G N 1.422 110.403 108.800 0.303 0.000 2.527 93 G HA2 0.521 4.481 3.960 0.000 0.000 0.248 93 G HA3 0.521 4.481 3.960 0.000 0.000 0.248 93 G C -0.160 174.689 174.900 -0.085 0.000 1.231 93 G CA 0.022 45.128 45.100 0.011 0.000 0.838 93 G HN 1.005 nan 8.290 nan 0.000 0.570 94 V N -1.175 118.690 119.914 -0.081 0.000 3.182 94 V HA 1.036 5.156 4.120 0.000 0.000 0.308 94 V C 0.557 176.609 176.094 -0.070 0.000 1.240 94 V CA -0.099 62.160 62.300 -0.068 0.000 1.063 94 V CB 1.099 32.906 31.823 -0.026 0.000 1.076 94 V HN 2.536 nan 8.190 nan 0.000 0.446 95 G N 0.444 109.212 108.800 -0.052 0.000 2.661 95 G HA2 0.084 4.044 3.960 0.000 0.000 0.685 95 G HA3 0.084 4.044 3.960 0.000 0.000 0.685 95 G C -2.849 172.024 174.900 -0.045 0.000 1.298 95 G CA -0.303 44.773 45.100 -0.040 0.000 0.855 95 G HN 1.114 nan 8.290 nan 0.000 0.560 96 P HA 0.415 nan 4.420 nan 0.000 0.269 96 P C 0.808 178.089 177.300 -0.030 0.000 1.209 96 P CA 0.384 63.472 63.100 -0.021 0.000 0.776 96 P CB 0.878 32.575 31.700 -0.005 0.000 0.876 97 V N 1.456 121.354 119.914 -0.027 0.000 2.924 97 V HA 0.174 4.294 4.120 0.000 0.000 0.305 97 V C 0.688 176.777 176.094 -0.009 0.000 1.073 97 V CA -0.705 61.576 62.300 -0.033 0.000 1.098 97 V CB -0.422 31.386 31.823 -0.025 0.000 1.000 97 V HN 0.305 nan 8.190 nan 0.000 0.484 98 L N 2.750 123.964 121.223 -0.015 0.000 2.483 98 L HA 0.245 4.585 4.340 0.000 0.000 0.276 98 L C 0.616 177.506 176.870 0.033 0.000 1.213 98 L CA -0.196 54.646 54.840 0.004 0.000 0.843 98 L CB 0.188 42.240 42.059 -0.012 0.000 1.107 98 L HN 1.028 nan 8.230 nan 0.000 0.487 99 D N -0.118 120.317 120.400 0.059 0.000 2.357 99 D HA -0.090 4.550 4.640 0.000 0.000 0.242 99 D C 0.698 177.086 176.300 0.147 0.000 1.153 99 D CA -0.476 53.591 54.000 0.112 0.000 0.918 99 D CB 0.536 41.408 40.800 0.121 0.000 1.181 99 D HN 0.541 nan 8.370 nan 0.000 0.435 100 W N 1.298 122.602 121.300 0.007 0.000 2.290 100 W HA -0.315 4.345 4.660 0.000 0.000 0.328 100 W C 2.198 178.710 176.519 -0.011 0.000 1.272 100 W CA 2.928 60.276 57.345 0.005 0.000 1.262 100 W CB -0.838 28.627 29.460 0.009 0.000 1.151 100 W HN 0.450 nan 8.180 nan 0.000 0.473 101 T N -0.326 114.356 114.554 0.213 0.000 2.746 101 T HA -0.210 4.140 4.350 0.000 0.000 0.267 101 T C 1.568 176.191 174.700 -0.128 0.000 1.039 101 T CA 2.279 64.360 62.100 -0.033 0.000 1.142 101 T CB -0.864 68.064 68.868 0.100 0.000 0.866 101 T HN 0.199 nan 8.240 nan 0.000 0.444 102 T N 2.010 116.545 114.554 -0.031 0.000 2.737 102 T HA 0.004 4.354 4.350 0.000 0.000 0.265 102 T C 2.442 177.094 174.700 -0.081 0.000 1.038 102 T CA 1.145 63.225 62.100 -0.033 0.000 1.144 102 T CB -0.602 68.275 68.868 0.015 0.000 0.866 102 T HN 0.422 nan 8.240 nan 0.000 0.434 103 A N 1.755 124.519 122.820 -0.094 0.000 1.940 103 A HA -0.161 4.159 4.320 0.000 0.000 0.219 103 A C 2.360 179.841 177.584 -0.172 0.000 1.176 103 A CA 1.613 53.581 52.037 -0.114 0.000 0.631 103 A CB -0.506 18.432 19.000 -0.104 0.000 0.814 103 A HN 0.424 nan 8.150 nan 0.000 0.446 104 R N -0.731 119.598 120.500 -0.284 0.000 2.115 104 R HA 0.046 4.386 4.340 0.000 0.000 0.226 104 R C 2.400 178.568 176.300 -0.220 0.000 1.100 104 R CA 0.944 56.852 56.100 -0.320 0.000 0.980 104 R CB -0.371 29.593 30.300 -0.560 0.000 0.875 104 R HN 0.513 nan 8.270 nan 0.000 0.445 105 A N 1.158 123.867 122.820 -0.185 0.000 1.930 105 A HA -0.179 4.141 4.320 0.000 0.000 0.217 105 A C 2.107 179.637 177.584 -0.090 0.000 1.175 105 A CA 1.246 53.207 52.037 -0.126 0.000 0.627 105 A CB -0.420 18.529 19.000 -0.086 0.000 0.815 105 A HN 0.322 nan 8.150 nan 0.000 0.443 106 M N -0.270 119.280 119.600 -0.083 0.000 2.086 106 M HA -0.119 4.361 4.480 0.000 0.000 0.261 106 M C 1.876 178.138 176.300 -0.063 0.000 1.067 106 M CA 2.003 57.267 55.300 -0.060 0.000 1.116 106 M CB -0.233 32.335 32.600 -0.054 0.000 1.348 106 M HN 0.183 nan 8.290 nan 0.000 0.407 107 V N 1.103 120.969 119.914 -0.081 0.000 2.343 107 V HA -0.275 3.845 4.120 0.000 0.000 0.247 107 V C 2.435 178.490 176.094 -0.065 0.000 1.051 107 V CA 1.771 64.028 62.300 -0.070 0.000 1.036 107 V CB -0.980 30.794 31.823 -0.082 0.000 0.654 107 V HN 0.600 nan 8.190 nan 0.000 0.451 108 L N 1.016 122.190 121.223 -0.082 0.000 2.046 108 L HA -0.093 4.247 4.340 0.000 0.000 0.208 108 L C 2.451 179.286 176.870 -0.058 0.000 1.077 108 L CA 2.405 57.200 54.840 -0.073 0.000 0.747 108 L CB -1.030 40.975 42.059 -0.089 0.000 0.896 108 L HN 0.215 nan 8.230 nan 0.000 0.432 109 A N -0.355 122.432 122.820 -0.056 0.000 1.908 109 A HA -0.278 4.042 4.320 0.000 0.000 0.218 109 A C 2.489 180.052 177.584 -0.035 0.000 1.181 109 A CA 1.935 53.945 52.037 -0.046 0.000 0.627 109 A CB -0.648 18.328 19.000 -0.040 0.000 0.818 109 A HN 0.499 nan 8.150 nan 0.000 0.445 110 R N -0.777 119.704 120.500 -0.031 0.000 2.115 110 R HA -0.059 4.281 4.340 0.000 0.000 0.230 110 R C 1.913 178.203 176.300 -0.017 0.000 1.111 110 R CA 1.402 57.490 56.100 -0.020 0.000 0.976 110 R CB -0.538 29.750 30.300 -0.020 0.000 0.870 110 R HN 0.459 nan 8.270 nan 0.000 0.445 111 L N -0.252 120.956 121.223 -0.025 0.000 2.027 111 L HA -0.077 4.263 4.340 0.000 0.000 0.206 111 L C 1.867 178.726 176.870 -0.020 0.000 1.074 111 L CA 1.599 56.427 54.840 -0.021 0.000 0.745 111 L CB -0.506 41.536 42.059 -0.029 0.000 0.898 111 L HN 0.040 nan 8.230 nan 0.000 0.433 112 V N -0.901 118.995 119.914 -0.030 0.000 2.332 112 V HA -0.286 3.834 4.120 0.000 0.000 0.248 112 V C 2.783 178.864 176.094 -0.021 0.000 1.055 112 V CA 1.854 64.134 62.300 -0.032 0.000 1.038 112 V CB -0.952 30.841 31.823 -0.051 0.000 0.651 112 V HN 0.638 nan 8.190 nan 0.000 0.450 113 S N -0.395 115.294 115.700 -0.018 0.000 2.368 113 S HA -0.152 4.318 4.470 0.000 0.000 0.225 113 S C 1.901 176.504 174.600 0.006 0.000 1.030 113 S CA 1.766 59.961 58.200 -0.008 0.000 0.999 113 S CB -0.340 62.856 63.200 -0.006 0.000 0.844 113 S HN 0.530 nan 8.310 nan 0.000 0.459 114 I N 1.588 122.163 120.570 0.010 0.000 2.252 114 I HA -0.124 4.046 4.170 0.000 0.000 0.245 114 I C 2.684 178.814 176.117 0.021 0.000 1.102 114 I CA 1.013 62.327 61.300 0.023 0.000 1.385 114 I CB -0.499 37.513 38.000 0.021 0.000 1.064 114 I HN 0.353 nan 8.210 nan 0.000 0.414 115 A N 0.150 122.975 122.820 0.009 0.000 2.131 115 A HA -0.214 4.106 4.320 0.000 0.000 0.220 115 A C 2.101 179.693 177.584 0.013 0.000 1.158 115 A CA 1.256 53.297 52.037 0.008 0.000 0.665 115 A CB -0.366 18.633 19.000 -0.001 0.000 0.795 115 A HN 0.413 nan 8.150 nan 0.000 0.460 116 Q N -1.223 118.586 119.800 0.015 0.000 2.369 116 Q HA 0.068 4.409 4.340 0.000 0.000 0.206 116 Q C 1.260 177.276 176.000 0.027 0.000 0.963 116 Q CA 0.839 56.653 55.803 0.018 0.000 0.894 116 Q CB -0.575 28.171 28.738 0.013 0.000 0.965 116 Q HN 1.083 nan 8.270 nan 0.000 0.475 117 G N 0.371 109.193 108.800 0.036 0.000 2.248 117 G HA2 -0.174 3.786 3.960 0.000 0.000 0.263 117 G HA3 -0.174 3.786 3.960 0.000 0.000 0.263 117 G C 0.419 175.364 174.900 0.074 0.000 1.082 117 G CA 0.417 45.546 45.100 0.048 0.000 0.863 117 G HN 0.525 nan 8.290 nan 0.000 0.495 118 A N -1.089 121.787 122.820 0.093 0.000 2.671 118 A HA 0.712 5.032 4.320 0.000 0.000 0.265 118 A C 1.664 179.375 177.584 0.212 0.000 1.148 118 A CA 1.384 53.501 52.037 0.134 0.000 0.977 118 A CB 0.212 19.247 19.000 0.058 0.000 1.242 118 A HN 0.809 nan 8.150 nan 0.000 0.591 119 S N -1.038 114.787 115.700 0.208 0.000 2.497 119 S HA 0.370 4.840 4.470 0.000 0.000 0.218 119 S C 1.524 176.344 174.600 0.368 0.000 1.023 119 S CA 0.747 59.098 58.200 0.251 0.000 0.913 119 S CB 0.374 63.653 63.200 0.131 0.000 0.800 119 S HN 1.713 nan 8.310 nan 0.000 0.505 120 G N 1.794 110.728 108.800 0.224 0.000 2.143 120 G HA2 -0.188 3.772 3.960 0.000 0.000 0.249 120 G HA3 -0.188 3.772 3.960 0.000 0.000 0.249 120 G C 0.171 175.104 174.900 0.055 0.000 0.981 120 G CA -0.041 45.090 45.100 0.051 0.000 0.665 120 G HN 0.875 nan 8.290 nan 0.000 0.528 121 A N 0.407 123.270 122.820 0.072 0.000 2.477 121 A HA 0.659 4.979 4.320 0.000 0.000 0.246 121 A C 1.127 178.720 177.584 0.015 0.000 1.078 121 A CA 0.946 53.010 52.037 0.044 0.000 0.770 121 A CB 0.254 19.278 19.000 0.040 0.000 1.011 121 A HN 1.967 nan 8.150 nan 0.000 0.494 122 S N 1.713 117.409 115.700 -0.006 0.000 2.614 122 S HA 0.198 4.668 4.470 0.000 0.000 0.265 122 S C 0.704 175.292 174.600 -0.019 0.000 1.303 122 S CA 0.010 58.194 58.200 -0.027 0.000 1.000 122 S CB 0.710 63.871 63.200 -0.065 0.000 0.935 122 S HN 0.717 nan 8.310 nan 0.000 0.551 123 E N 1.347 121.535 120.200 -0.021 0.000 2.118 123 E HA -0.106 4.244 4.350 0.000 0.000 0.195 123 E C 2.168 178.758 176.600 -0.016 0.000 0.992 123 E CA 1.146 57.537 56.400 -0.015 0.000 0.804 123 E CB -0.753 28.938 29.700 -0.015 0.000 0.741 123 E HN 0.887 nan 8.360 nan 0.000 0.458 124 G N 0.664 109.450 108.800 -0.024 0.000 2.421 124 G HA2 -0.283 3.678 3.960 0.000 0.000 0.216 124 G HA3 -0.283 3.678 3.960 0.000 0.000 0.216 124 G C 1.646 176.536 174.900 -0.016 0.000 1.171 124 G CA 1.368 46.455 45.100 -0.021 0.000 0.775 124 G HN 0.191 nan 8.290 nan 0.000 0.543 125 T N 1.367 115.910 114.554 -0.018 0.000 2.708 125 T HA -0.061 4.289 4.350 0.000 0.000 0.266 125 T C 2.393 177.090 174.700 -0.006 0.000 1.037 125 T CA 1.060 63.153 62.100 -0.010 0.000 1.146 125 T CB -0.177 68.686 68.868 -0.008 0.000 0.865 125 T HN 0.244 nan 8.240 nan 0.000 0.435 126 I N 1.325 121.892 120.570 -0.005 0.000 2.286 126 I HA -0.188 3.982 4.170 0.000 0.000 0.248 126 I C 2.871 178.985 176.117 -0.006 0.000 1.115 126 I CA 1.090 62.387 61.300 -0.004 0.000 1.392 126 I CB -0.433 37.565 38.000 -0.002 0.000 1.065 126 I HN 0.199 nan 8.210 nan 0.000 0.418 127 A N 0.598 123.414 122.820 -0.007 0.000 1.969 127 A HA -0.152 4.168 4.320 0.000 0.000 0.218 127 A C 2.327 179.908 177.584 -0.005 0.000 1.169 127 A CA 1.138 53.171 52.037 -0.007 0.000 0.635 127 A CB -0.346 18.649 19.000 -0.008 0.000 0.810 127 A HN 0.236 nan 8.150 nan 0.000 0.445 128 R N -0.158 120.340 120.500 -0.002 0.000 2.092 128 R HA -0.017 4.323 4.340 0.000 0.000 0.231 128 R C 2.014 178.319 176.300 0.008 0.000 1.119 128 R CA 1.134 57.238 56.100 0.007 0.000 0.970 128 R CB -0.987 29.320 30.300 0.012 0.000 0.864 128 R HN 0.590 nan 8.270 nan 0.000 0.440 129 L N 0.174 121.397 121.223 -0.000 0.000 2.027 129 L HA -0.100 4.240 4.340 0.000 0.000 0.206 129 L C 2.494 179.355 176.870 -0.016 0.000 1.074 129 L CA 1.123 55.958 54.840 -0.008 0.000 0.745 129 L CB -0.467 41.584 42.059 -0.014 0.000 0.898 129 L HN 0.071 nan 8.230 nan 0.000 0.433 130 I N -0.026 120.536 120.570 -0.015 0.000 2.179 130 I HA -0.298 3.872 4.170 0.000 0.000 0.242 130 I C 2.175 178.282 176.117 -0.016 0.000 1.088 130 I CA 1.257 62.547 61.300 -0.018 0.000 1.357 130 I CB -0.457 37.535 38.000 -0.014 0.000 1.051 130 I HN 0.279 nan 8.210 nan 0.000 0.409 131 D N 0.864 121.257 120.400 -0.011 0.000 2.123 131 D HA -0.190 4.450 4.640 0.000 0.000 0.196 131 D C 2.154 178.447 176.300 -0.013 0.000 0.992 131 D CA 1.010 55.003 54.000 -0.012 0.000 0.833 131 D CB -0.401 40.392 40.800 -0.011 0.000 0.954 131 D HN 0.177 nan 8.370 nan 0.000 0.455 132 L N 0.847 122.066 121.223 -0.005 0.000 2.012 132 L HA -0.150 4.190 4.340 0.000 0.000 0.210 132 L C 2.148 179.000 176.870 -0.030 0.000 1.073 132 L CA 1.406 56.247 54.840 0.001 0.000 0.748 132 L CB -0.839 41.238 42.059 0.031 0.000 0.891 132 L HN 0.095 nan 8.230 nan 0.000 0.431 133 L N 0.022 121.217 121.223 -0.047 0.000 2.201 133 L HA -0.184 4.156 4.340 0.000 0.000 0.212 133 L C 1.893 178.737 176.870 -0.044 0.000 1.105 133 L CA 0.779 55.574 54.840 -0.075 0.000 0.775 133 L CB -0.537 41.478 42.059 -0.073 0.000 0.913 133 L HN 0.367 nan 8.230 nan 0.000 0.440 134 N N -0.509 118.179 118.700 -0.020 0.000 2.412 134 N HA -0.012 4.729 4.740 0.000 0.000 0.184 134 N C 0.926 176.446 175.510 0.017 0.000 1.101 134 N CA 0.355 53.404 53.050 -0.001 0.000 0.881 134 N CB 0.194 38.679 38.487 -0.004 0.000 0.969 134 N HN 0.330 nan 8.380 nan 0.000 0.459 135 S N -0.019 115.691 115.700 0.017 0.000 2.671 135 S HA 0.282 4.752 4.470 0.000 0.000 0.272 135 S C 0.793 175.463 174.600 0.115 0.000 1.174 135 S CA -0.422 57.800 58.200 0.037 0.000 1.004 135 S CB 1.427 64.629 63.200 0.004 0.000 1.077 135 S HN -0.080 nan 8.310 nan 0.000 0.553 136 E N -0.058 120.234 120.200 0.154 0.000 2.463 136 E HA 0.351 4.701 4.350 0.000 0.000 0.193 136 E C -0.072 176.826 176.600 0.498 0.000 1.041 136 E CA -0.012 56.569 56.400 0.302 0.000 0.879 136 E CB -0.111 29.673 29.700 0.140 0.000 0.997 136 E HN 0.508 nan 8.360 nan 0.000 0.478 137 L N -0.196 121.229 121.223 0.337 0.000 2.335 137 L HA 0.748 5.088 4.340 0.000 0.000 0.268 137 L C 0.006 176.987 176.870 0.186 0.000 1.016 137 L CA -1.059 54.008 54.840 0.379 0.000 0.805 137 L CB 1.437 43.584 42.059 0.146 0.000 1.311 137 L HN -0.180 nan 8.230 nan 0.000 0.456 138 A N 0.734 123.681 122.820 0.212 0.000 2.549 138 A HA 0.774 5.094 4.320 0.000 0.000 0.297 138 A C -2.820 174.856 177.584 0.152 0.000 1.061 138 A CA -1.306 50.712 52.037 -0.031 0.000 0.690 138 A CB 1.835 20.602 19.000 -0.387 0.000 1.287 138 A HN 0.365 nan 8.150 nan 0.000 0.402 139 P HA 0.389 nan 4.420 nan 0.000 0.274 139 P C -0.330 176.892 177.300 -0.131 0.000 1.231 139 P CA 0.058 63.037 63.100 -0.202 0.000 0.790 139 P CB 1.302 32.872 31.700 -0.217 0.000 0.951 140 A N 3.155 125.869 122.820 -0.177 0.000 2.366 140 A HA 0.505 4.825 4.320 0.000 0.000 0.322 140 A C 0.204 177.724 177.584 -0.106 0.000 1.397 140 A CA -0.522 51.463 52.037 -0.086 0.000 0.984 140 A CB -0.428 18.540 19.000 -0.053 0.000 1.149 140 A HN 0.430 nan 8.150 nan 0.000 0.540 141 V N 0.896 120.752 119.914 -0.095 0.000 2.555 141 V HA 0.766 4.886 4.120 0.000 0.000 0.302 141 V C -2.762 173.234 176.094 -0.164 0.000 1.038 141 V CA -2.640 59.583 62.300 -0.127 0.000 0.887 141 V CB 1.786 33.564 31.823 -0.075 0.000 0.991 141 V HN 0.634 nan 8.190 nan 0.000 0.434 142 P HA 0.135 nan 4.420 nan 0.000 0.268 142 P C 0.800 178.012 177.300 -0.148 0.000 1.205 142 P CA 0.306 63.266 63.100 -0.232 0.000 0.771 142 P CB 1.427 32.914 31.700 -0.354 0.000 0.858 143 S N 2.868 118.516 115.700 -0.087 0.000 2.436 143 S HA 0.000 4.470 4.470 0.000 0.000 0.228 143 S C 0.857 175.435 174.600 -0.037 0.000 1.014 143 S CA 0.168 58.339 58.200 -0.048 0.000 0.950 143 S CB -0.144 63.041 63.200 -0.024 0.000 0.784 143 S HN 0.419 nan 8.310 nan 0.000 0.504 144 R N -0.000 120.473 120.500 -0.045 0.000 2.668 144 R HA 0.619 4.959 4.340 0.000 0.000 0.279 144 R C 0.786 177.073 176.300 -0.022 0.000 0.976 144 R CA 0.010 56.095 56.100 -0.025 0.000 0.978 144 R CB 1.415 31.704 30.300 -0.018 0.000 1.133 144 R HN 0.346 nan 8.270 nan 0.000 0.484 145 G N 0.245 109.044 108.800 -0.000 0.000 2.813 145 G HA2 -0.207 3.753 3.960 0.000 0.000 0.194 145 G HA3 -0.207 3.753 3.960 0.000 0.000 0.194 145 G C 0.073 174.986 174.900 0.022 0.000 1.010 145 G CA -0.056 45.053 45.100 0.015 0.000 0.771 145 G HN 0.611 nan 8.290 nan 0.000 0.485 146 T N 0.450 115.015 114.554 0.018 0.000 2.925 146 T HA 0.543 4.893 4.350 0.000 0.000 0.285 146 T C 1.423 176.139 174.700 0.027 0.000 1.021 146 T CA 0.438 62.550 62.100 0.020 0.000 1.042 146 T CB 1.721 70.598 68.868 0.014 0.000 1.037 146 T HN 1.116 nan 8.240 nan 0.000 0.481 147 V N 0.958 120.891 119.914 0.031 0.000 3.542 147 V HA 0.600 4.720 4.120 0.000 0.000 0.296 147 V C 1.178 177.302 176.094 0.051 0.000 1.364 147 V CA 0.261 62.587 62.300 0.042 0.000 1.118 147 V CB -1.318 30.532 31.823 0.045 0.000 0.972 147 V HN 1.382 nan 8.190 nan 0.000 0.430 153 L N -0.193 120.999 121.223 -0.051 0.000 1.990 153 L HA -0.203 4.137 4.340 0.000 0.000 0.213 153 L C 2.392 179.211 176.870 -0.084 0.000 1.072 153 L CA 1.791 56.574 54.840 -0.095 0.000 0.755 153 L CB -0.913 41.067 42.059 -0.130 0.000 0.889 153 L HN 0.117 nan 8.230 nan 0.000 0.432 154 T N 0.369 114.900 114.554 -0.038 0.000 2.580 154 T HA -0.127 4.223 4.350 0.000 0.000 0.265 154 T C -0.379 174.392 174.700 0.118 0.000 1.063 154 T CA 1.916 64.034 62.100 0.029 0.000 1.170 154 T CB -1.495 67.408 68.868 0.059 0.000 0.863 154 T HN 0.339 nan 8.240 nan 0.000 0.418 155 P HA -0.016 nan 4.420 nan 0.000 0.218 155 P C 1.574 178.897 177.300 0.039 0.000 1.148 155 P CA 1.081 64.212 63.100 0.053 0.000 0.822 155 P CB -0.241 31.458 31.700 -0.001 0.000 0.784 156 L N -0.820 120.400 121.223 -0.005 0.000 2.156 156 L HA -0.034 4.307 4.340 0.000 0.000 0.208 156 L C 2.802 179.634 176.870 -0.063 0.000 1.095 156 L CA 1.159 55.978 54.840 -0.035 0.000 0.770 156 L CB -0.951 41.080 42.059 -0.046 0.000 0.914 156 L HN -0.060 nan 8.230 nan 0.000 0.439 157 A N -0.881 121.881 122.820 -0.096 0.000 1.930 157 A HA -0.213 4.107 4.320 0.000 0.000 0.217 157 A C 2.108 179.576 177.584 -0.194 0.000 1.175 157 A CA 1.234 53.159 52.037 -0.187 0.000 0.627 157 A CB -0.691 18.139 19.000 -0.283 0.000 0.815 157 A HN 0.404 nan 8.150 nan 0.000 0.443 158 H N -1.267 117.743 119.070 -0.101 0.000 2.423 158 H HA -0.072 4.484 4.556 0.000 0.000 0.297 158 H C 2.085 177.341 175.328 -0.119 0.000 1.075 158 H CA 1.655 57.644 56.048 -0.099 0.000 1.342 158 H CB -0.216 29.492 29.762 -0.090 0.000 1.395 158 H HN 0.594 nan 8.280 nan 0.000 0.530 159 M N 0.674 120.272 119.600 -0.003 0.000 2.117 159 M HA -0.153 4.327 4.480 0.000 0.000 0.262 159 M C 2.078 178.331 176.300 -0.078 0.000 1.065 159 M CA 1.311 56.574 55.300 -0.062 0.000 1.114 159 M CB -0.093 32.477 32.600 -0.051 0.000 1.361 159 M HN -0.006 nan 8.290 nan 0.000 0.408 160 V N 1.286 121.156 119.914 -0.074 0.000 2.287 160 V HA -0.307 3.813 4.120 0.000 0.000 0.248 160 V C 2.440 178.495 176.094 -0.064 0.000 1.053 160 V CA 1.860 64.119 62.300 -0.069 0.000 1.027 160 V CB -0.810 30.960 31.823 -0.088 0.000 0.646 160 V HN 0.545 nan 8.190 nan 0.000 0.447 161 L N -0.827 120.348 121.223 -0.081 0.000 2.042 161 L HA -0.240 4.100 4.340 0.000 0.000 0.210 161 L C 2.665 179.489 176.870 -0.076 0.000 1.076 161 L CA 1.681 56.484 54.840 -0.062 0.000 0.749 161 L CB -0.781 41.234 42.059 -0.073 0.000 0.893 161 L HN 0.402 nan 8.230 nan 0.000 0.432 162 C N -0.150 119.057 119.300 -0.155 0.000 2.413 162 C HA -0.162 4.298 4.460 0.000 0.000 0.276 162 C C 2.669 177.551 174.990 -0.180 0.000 1.248 162 C CA 0.515 59.319 59.018 -0.357 0.000 1.742 162 C CB -0.842 26.545 27.740 -0.587 0.000 2.017 162 C HN 0.443 nan 8.230 nan 0.000 0.481 163 L N 0.200 121.404 121.223 -0.032 0.000 2.362 163 L HA -0.141 4.200 4.340 0.000 0.000 0.219 163 L C 2.311 179.254 176.870 0.122 0.000 1.134 163 L CA 1.219 56.138 54.840 0.130 0.000 0.807 163 L CB -0.638 41.461 42.059 0.065 0.000 0.927 163 L HN 0.533 nan 8.230 nan 0.000 0.447 164 Q N -0.404 119.436 119.800 0.068 0.000 2.319 164 Q HA 0.139 4.479 4.340 0.000 0.000 0.202 164 Q C 1.334 177.386 176.000 0.086 0.000 0.896 164 Q CA 0.480 56.319 55.803 0.060 0.000 0.942 164 Q CB 0.720 29.475 28.738 0.028 0.000 1.083 164 Q HN 0.535 nan 8.270 nan 0.000 0.510 165 G N 1.834 110.719 108.800 0.141 0.000 2.143 165 G HA2 -0.318 3.642 3.960 0.000 0.000 0.249 165 G HA3 -0.318 3.642 3.960 0.000 0.000 0.249 165 G C 0.577 175.539 174.900 0.103 0.000 0.981 165 G CA 0.095 45.300 45.100 0.176 0.000 0.665 165 G HN 0.322 nan 8.290 nan 0.000 0.528 166 R N 0.208 120.739 120.500 0.052 0.000 2.515 166 R HA 0.469 4.809 4.340 0.000 0.000 0.294 166 R C 1.017 177.314 176.300 -0.006 0.000 1.021 166 R CA 0.518 56.633 56.100 0.026 0.000 1.081 166 R CB 0.656 30.971 30.300 0.025 0.000 1.263 166 R HN 0.520 nan 8.270 nan 0.000 0.557 167 G N -0.385 108.394 108.800 -0.036 0.000 2.692 167 G HA2 0.220 4.180 3.960 0.000 0.000 0.291 167 G HA3 0.220 4.180 3.960 0.000 0.000 0.291 167 G C -1.529 173.283 174.900 -0.147 0.000 1.423 167 G CA -0.678 44.367 45.100 -0.091 0.000 0.843 167 G HN -0.113 nan 8.290 nan 0.000 0.486 168 D N -0.546 119.782 120.400 -0.121 0.000 2.358 168 D HA 0.599 5.239 4.640 0.000 0.000 0.244 168 D C -0.500 175.662 176.300 -0.230 0.000 1.163 168 D CA 0.512 54.474 54.000 -0.064 0.000 0.945 168 D CB 0.934 41.732 40.800 -0.002 0.000 1.152 168 D HN 0.097 nan 8.370 nan 0.000 0.451 169 F N -0.529 119.446 119.950 0.041 0.000 2.618 169 F HA 0.533 5.060 4.527 0.000 0.000 0.332 169 F C -0.233 175.614 175.800 0.079 0.000 1.061 169 F CA -0.905 57.127 58.000 0.054 0.000 0.974 169 F CB 1.200 40.232 39.000 0.054 0.000 1.310 169 F HN -0.066 nan 8.300 nan 0.000 0.491 170 L N 1.543 122.973 121.223 0.345 0.000 2.386 170 L HA 0.417 4.757 4.340 0.000 0.000 0.271 170 L C -1.070 176.024 176.870 0.373 0.000 0.993 170 L CA -1.063 53.955 54.840 0.296 0.000 0.819 170 L CB 1.866 44.102 42.059 0.295 0.000 1.294 170 L HN 0.594 nan 8.230 nan 0.000 0.414 171 D N 1.212 121.728 120.400 0.194 0.000 2.423 171 D HA 0.192 4.832 4.640 0.000 0.000 0.255 171 D C 0.865 177.026 176.300 -0.232 0.000 1.174 171 D CA -0.591 53.450 54.000 0.069 0.000 1.008 171 D CB 0.783 41.576 40.800 -0.010 0.000 1.101 171 D HN 0.308 nan 8.370 nan 0.000 0.516 172 R N -0.713 119.388 120.500 -0.664 0.000 2.170 172 R HA -0.114 4.226 4.340 0.000 0.000 0.242 172 R C 0.386 176.347 176.300 -0.564 0.000 1.145 172 R CA 1.395 56.763 56.100 -1.220 0.000 0.984 172 R CB -0.162 29.510 30.300 -1.046 0.000 0.869 172 R HN 0.524 nan 8.270 nan 0.000 0.455 173 D N -1.295 118.934 120.400 -0.286 0.000 2.339 173 D HA 0.078 4.718 4.640 0.000 0.000 0.217 173 D C 1.111 177.377 176.300 -0.057 0.000 1.050 173 D CA 0.835 54.750 54.000 -0.143 0.000 0.856 173 D CB 0.893 41.632 40.800 -0.102 0.000 0.922 173 D HN 0.433 nan 8.370 nan 0.000 0.518 174 G N 1.031 109.819 108.800 -0.020 0.000 2.176 174 G HA2 -0.269 3.692 3.960 0.000 0.000 0.253 174 G HA3 -0.269 3.692 3.960 0.000 0.000 0.253 174 G C 0.609 175.536 174.900 0.046 0.000 0.979 174 G CA 0.225 45.353 45.100 0.047 0.000 0.641 174 G HN 0.294 nan 8.290 nan 0.000 0.530 175 T N 2.394 116.963 114.554 0.026 0.000 2.853 175 T HA 0.425 4.775 4.350 0.000 0.000 0.298 175 T C 0.871 175.608 174.700 0.062 0.000 0.978 175 T CA 0.062 62.180 62.100 0.031 0.000 1.152 175 T CB 0.683 69.559 68.868 0.013 0.000 0.914 175 T HN 0.420 nan 8.240 nan 0.000 0.539 176 R N 2.621 123.158 120.500 0.060 0.000 2.441 176 R HA 0.565 4.905 4.340 0.000 0.000 0.284 176 R C -0.367 175.984 176.300 0.085 0.000 1.070 176 R CA -0.500 55.648 56.100 0.079 0.000 1.047 176 R CB 0.664 30.998 30.300 0.057 0.000 1.016 176 R HN 0.506 nan 8.270 nan 0.000 0.477 177 L N 1.819 123.118 121.223 0.127 0.000 2.370 177 L HA 0.333 4.673 4.340 0.000 0.000 0.266 177 L C -0.226 176.738 176.870 0.158 0.000 1.002 177 L CA -1.295 53.622 54.840 0.129 0.000 0.818 177 L CB 1.916 44.061 42.059 0.143 0.000 1.325 177 L HN 0.674 nan 8.230 nan 0.000 0.418 178 D N 0.937 121.410 120.400 0.123 0.000 2.398 178 D HA 0.104 4.744 4.640 0.000 0.000 0.247 178 D C 1.187 177.611 176.300 0.207 0.000 1.227 178 D CA -0.060 54.014 54.000 0.124 0.000 0.980 178 D CB 0.812 41.659 40.800 0.078 0.000 1.106 178 D HN 0.570 nan 8.370 nan 0.000 0.493 179 G N -0.272 108.644 108.800 0.192 0.000 2.491 179 G HA2 -0.242 3.718 3.960 0.000 0.000 0.218 179 G HA3 -0.242 3.718 3.960 0.000 0.000 0.218 179 G C 1.521 176.558 174.900 0.229 0.000 1.180 179 G CA 1.976 47.249 45.100 0.288 0.000 0.774 179 G HN 0.703 nan 8.290 nan 0.000 0.562 180 A N 0.783 123.676 122.820 0.122 0.000 1.892 180 A HA -0.125 4.195 4.320 0.000 0.000 0.218 180 A C 2.224 179.829 177.584 0.035 0.000 1.188 180 A CA 2.439 54.516 52.037 0.067 0.000 0.631 180 A CB -0.560 18.468 19.000 0.047 0.000 0.822 180 A HN 0.426 nan 8.150 nan 0.000 0.447 181 E N 0.023 120.249 120.200 0.044 0.000 2.153 181 E HA -0.043 4.307 4.350 0.000 0.000 0.194 181 E C 1.930 178.501 176.600 -0.047 0.000 0.988 181 E CA 1.533 57.940 56.400 0.011 0.000 0.811 181 E CB -0.794 28.927 29.700 0.034 0.000 0.746 181 E HN 0.426 nan 8.360 nan 0.000 0.466 182 G N 0.557 109.322 108.800 -0.057 0.000 2.404 182 G HA2 -0.200 3.760 3.960 0.000 0.000 0.215 182 G HA3 -0.200 3.760 3.960 0.000 0.000 0.215 182 G C 1.592 176.152 174.900 -0.567 0.000 1.174 182 G CA 0.813 45.654 45.100 -0.432 0.000 0.780 182 G HN 0.309 nan 8.290 nan 0.000 0.537 183 L N -0.241 120.775 121.223 -0.345 0.000 2.083 183 L HA -0.022 4.318 4.340 0.000 0.000 0.209 183 L C 2.928 179.709 176.870 -0.148 0.000 1.083 183 L CA 1.078 55.785 54.840 -0.222 0.000 0.752 183 L CB -0.374 41.649 42.059 -0.060 0.000 0.899 183 L HN 0.198 nan 8.230 nan 0.000 0.433 184 R N 0.524 120.961 120.500 -0.106 0.000 2.064 184 R HA -0.173 4.167 4.340 0.000 0.000 0.228 184 R C 2.534 178.786 176.300 -0.079 0.000 1.144 184 R CA 1.531 57.589 56.100 -0.069 0.000 0.932 184 R CB -0.198 30.077 30.300 -0.041 0.000 0.833 184 R HN 0.148 nan 8.270 nan 0.000 0.429 185 R N -0.467 119.979 120.500 -0.089 0.000 2.105 185 R HA -0.104 4.236 4.340 0.000 0.000 0.239 185 R C 1.863 178.110 176.300 -0.088 0.000 1.135 185 R CA 1.868 57.923 56.100 -0.075 0.000 0.967 185 R CB -0.472 29.789 30.300 -0.065 0.000 0.861 185 R HN 0.421 nan 8.270 nan 0.000 0.442 186 G N -0.431 108.281 108.800 -0.146 0.000 2.985 186 G HA2 -0.050 3.910 3.960 0.000 0.000 0.209 186 G HA3 -0.050 3.910 3.960 0.000 0.000 0.209 186 G C -0.195 174.645 174.900 -0.100 0.000 1.165 186 G CA -0.159 44.861 45.100 -0.133 0.000 0.776 186 G HN 0.356 nan 8.290 nan 0.000 0.541 187 R N -1.081 119.364 120.500 -0.092 0.000 3.264 187 R HA -0.137 4.203 4.340 0.000 0.000 0.251 187 R C -0.727 175.535 176.300 -0.062 0.000 0.971 187 R CA 0.251 56.314 56.100 -0.063 0.000 0.658 187 R CB -2.289 27.986 30.300 -0.041 0.000 1.095 187 R HN 0.336 nan 8.270 nan 0.000 0.443 188 L N 0.538 121.711 121.223 -0.083 0.000 2.334 188 L HA 0.407 4.747 4.340 0.000 0.000 0.273 188 L C 0.658 177.507 176.870 -0.034 0.000 1.013 188 L CA -1.134 53.669 54.840 -0.062 0.000 0.816 188 L CB 1.580 43.583 42.059 -0.094 0.000 1.278 188 L HN 0.015 nan 8.230 nan 0.000 0.431 189 Q N 2.803 122.595 119.800 -0.014 0.000 2.235 189 Q HA 0.359 4.699 4.340 0.000 0.000 0.250 189 Q C -2.286 173.723 176.000 0.014 0.000 0.909 189 Q CA -1.867 53.934 55.803 -0.003 0.000 0.910 189 Q CB 1.390 30.125 28.738 -0.004 0.000 1.223 189 Q HN 0.296 nan 8.270 nan 0.000 0.432 190 P HA -0.027 nan 4.420 nan 0.000 0.268 190 P C -0.237 177.079 177.300 0.026 0.000 1.205 190 P CA -0.472 62.650 63.100 0.037 0.000 0.771 190 P CB 0.586 32.305 31.700 0.031 0.000 0.858 191 L N 3.138 124.381 121.223 0.033 0.000 2.462 191 L HA 0.128 4.468 4.340 0.000 0.000 0.272 191 L C -0.004 176.867 176.870 0.002 0.000 1.166 191 L CA 0.607 55.457 54.840 0.016 0.000 0.880 191 L CB -0.671 41.397 42.059 0.016 0.000 1.142 191 L HN 0.301 nan 8.230 nan 0.000 0.473 192 D N 5.034 125.429 120.400 -0.009 0.000 2.461 192 D HA 0.289 4.929 4.640 0.000 0.000 0.240 192 D C -0.825 175.457 176.300 -0.030 0.000 1.094 192 D CA -0.252 53.737 54.000 -0.018 0.000 0.868 192 D CB 0.421 41.208 40.800 -0.021 0.000 1.062 192 D HN 0.513 nan 8.370 nan 0.000 0.530 193 L N 2.620 123.825 121.223 -0.030 0.000 2.331 193 L HA 0.375 4.715 4.340 0.000 0.000 0.278 193 L C 0.542 177.386 176.870 -0.044 0.000 1.106 193 L CA -0.389 54.431 54.840 -0.033 0.000 0.824 193 L CB 1.270 43.312 42.059 -0.028 0.000 1.142 193 L HN 0.330 nan 8.230 nan 0.000 0.443 194 S N 1.655 117.316 115.700 -0.064 0.000 2.568 194 S HA 0.497 4.967 4.470 0.000 0.000 0.293 194 S C 0.036 174.617 174.600 -0.032 0.000 1.089 194 S CA -0.345 57.778 58.200 -0.129 0.000 0.945 194 S CB 0.763 63.786 63.200 -0.296 0.000 1.077 194 S HN 0.938 nan 8.310 nan 0.000 0.485 195 H N 1.732 120.801 119.070 -0.001 0.000 1.452 195 H HA -0.286 4.270 4.556 0.000 0.000 0.090 195 H C 1.058 176.404 175.328 0.031 0.000 0.985 195 H CA 1.714 57.764 56.048 0.004 0.000 1.901 195 H CB -0.640 29.110 29.762 -0.021 0.000 2.257 195 H HN 0.789 nan 8.280 nan 0.000 0.961 196 R N 1.913 122.540 120.500 0.210 0.000 2.466 196 R HA 0.073 4.413 4.340 0.000 0.000 0.279 196 R C 0.123 176.503 176.300 0.132 0.000 0.976 196 R CA 0.605 56.808 56.100 0.171 0.000 1.081 196 R CB 0.370 30.807 30.300 0.228 0.000 1.215 196 R HN 0.316 nan 8.270 nan 0.000 0.546 197 D N 2.313 122.768 120.400 0.092 0.000 2.190 197 D HA -0.213 4.427 4.640 0.000 0.000 0.200 197 D C 1.860 178.179 176.300 0.031 0.000 0.992 197 D CA 1.811 55.843 54.000 0.053 0.000 0.854 197 D CB -0.076 40.735 40.800 0.018 0.000 0.936 197 D HN 0.470 nan 8.370 nan 0.000 0.462 198 A N 0.785 123.618 122.820 0.021 0.000 1.865 198 A HA -0.176 4.144 4.320 0.000 0.000 0.217 198 A C 2.181 179.745 177.584 -0.032 0.000 1.191 198 A CA 1.299 53.320 52.037 -0.025 0.000 0.623 198 A CB -0.828 18.149 19.000 -0.037 0.000 0.826 198 A HN 0.257 nan 8.150 nan 0.000 0.444 199 L N -0.524 120.715 121.223 0.027 0.000 2.093 199 L HA 0.043 4.383 4.340 0.000 0.000 0.208 199 L C 2.684 179.587 176.870 0.057 0.000 1.085 199 L CA 1.941 56.807 54.840 0.043 0.000 0.755 199 L CB -0.777 41.382 42.059 0.168 0.000 0.904 199 L HN 0.361 nan 8.230 nan 0.000 0.435 200 A N -0.543 122.326 122.820 0.081 0.000 1.902 200 A HA -0.170 4.150 4.320 0.000 0.000 0.217 200 A C 2.179 179.786 177.584 0.037 0.000 1.181 200 A CA 1.943 54.028 52.037 0.079 0.000 0.623 200 A CB -0.883 18.180 19.000 0.105 0.000 0.818 200 A HN 0.471 nan 8.150 nan 0.000 0.443 201 L N -0.990 120.241 121.223 0.013 0.000 2.552 201 L HA -0.012 4.328 4.340 0.000 0.000 0.227 201 L C 1.714 178.566 176.870 -0.031 0.000 1.146 201 L CA 0.258 55.092 54.840 -0.011 0.000 0.858 201 L CB 0.108 42.153 42.059 -0.023 0.000 0.969 201 L HN 0.256 nan 8.230 nan 0.000 0.451 202 V N -1.761 118.129 119.914 -0.040 0.000 3.572 202 V HA 0.104 4.224 4.120 0.000 0.000 0.260 202 V C 0.743 176.806 176.094 -0.052 0.000 1.324 202 V CA 0.213 62.471 62.300 -0.070 0.000 1.068 202 V CB 0.407 32.145 31.823 -0.141 0.000 0.837 202 V HN 0.287 nan 8.190 nan 0.000 0.450 203 N N 1.481 120.173 118.700 -0.013 0.000 2.994 203 N HA 0.366 5.106 4.740 0.000 0.000 0.306 203 N C 0.081 175.639 175.510 0.081 0.000 1.348 203 N CA 0.501 53.556 53.050 0.009 0.000 1.109 203 N CB 0.237 38.752 38.487 0.047 0.000 1.415 203 N HN 0.487 nan 8.380 nan 0.000 0.529 204 G N -1.748 107.089 108.800 0.063 0.000 2.975 204 G HA2 0.282 4.242 3.960 0.000 0.000 0.291 204 G HA3 0.282 4.242 3.960 0.000 0.000 0.291 204 G C 0.049 174.993 174.900 0.073 0.000 1.334 204 G CA -0.434 44.718 45.100 0.087 0.000 0.843 204 G HN 0.169 nan 8.290 nan 0.000 0.548 205 T N -2.181 112.405 114.554 0.053 0.000 3.214 205 T HA 0.256 4.606 4.350 0.000 0.000 0.264 205 T C 1.647 176.354 174.700 0.011 0.000 1.012 205 T CA 0.711 62.834 62.100 0.038 0.000 0.901 205 T CB 0.329 69.215 68.868 0.031 0.000 1.070 205 T HN 0.218 nan 8.240 nan 0.000 0.561 206 S N 1.748 117.451 115.700 0.004 0.000 2.387 206 S HA -0.075 4.395 4.470 0.000 0.000 0.230 206 S C 2.463 177.055 174.600 -0.014 0.000 1.035 206 S CA 1.301 59.494 58.200 -0.011 0.000 1.014 206 S CB -0.608 62.583 63.200 -0.016 0.000 0.836 206 S HN 0.830 nan 8.310 nan 0.000 0.466 207 A N 2.583 125.398 122.820 -0.008 0.000 1.855 207 A HA -0.073 4.247 4.320 0.000 0.000 0.215 207 A C 2.268 179.853 177.584 0.002 0.000 1.191 207 A CA 1.707 53.739 52.037 -0.008 0.000 0.613 207 A CB -0.790 18.207 19.000 -0.006 0.000 0.829 207 A HN 0.661 nan 8.150 nan 0.000 0.442 208 M N -1.358 118.248 119.600 0.009 0.000 2.213 208 M HA -0.092 4.388 4.480 0.000 0.000 0.263 208 M C 1.751 178.058 176.300 0.011 0.000 1.062 208 M CA 2.288 57.598 55.300 0.017 0.000 1.105 208 M CB -1.307 31.306 32.600 0.022 0.000 1.385 208 M HN 0.163 nan 8.290 nan 0.000 0.417 209 T N 1.122 115.674 114.554 -0.004 0.000 2.777 209 T HA 0.006 4.356 4.350 0.000 0.000 0.266 209 T C 1.974 176.671 174.700 -0.006 0.000 1.040 209 T CA 1.613 63.702 62.100 -0.018 0.000 1.141 209 T CB -0.728 68.121 68.868 -0.031 0.000 0.868 209 T HN 0.720 nan 8.240 nan 0.000 0.444 210 G N 1.322 110.117 108.800 -0.008 0.000 2.402 210 G HA2 -0.111 3.849 3.960 0.000 0.000 0.216 210 G HA3 -0.111 3.849 3.960 0.000 0.000 0.216 210 G C 1.520 176.433 174.900 0.021 0.000 1.162 210 G CA 0.437 45.532 45.100 -0.008 0.000 0.777 210 G HN 0.485 nan 8.290 nan 0.000 0.539 211 I N 1.466 122.053 120.570 0.029 0.000 2.226 211 I HA -0.170 4.000 4.170 0.000 0.000 0.245 211 I C 3.268 179.437 176.117 0.088 0.000 1.100 211 I CA 1.026 62.358 61.300 0.054 0.000 1.374 211 I CB -0.188 37.841 38.000 0.048 0.000 1.057 211 I HN 0.233 nan 8.210 nan 0.000 0.413 212 A N 1.300 124.175 122.820 0.091 0.000 1.933 212 A HA -0.170 4.150 4.320 0.000 0.000 0.218 212 A C 2.255 179.951 177.584 0.187 0.000 1.175 212 A CA 1.825 53.957 52.037 0.158 0.000 0.628 212 A CB -0.826 18.230 19.000 0.094 0.000 0.814 212 A HN 0.513 nan 8.150 nan 0.000 0.444 213 L N -1.948 119.346 121.223 0.118 0.000 2.141 213 L HA 0.006 4.346 4.340 0.000 0.000 0.209 213 L C 1.996 178.981 176.870 0.192 0.000 1.094 213 L CA 1.578 56.497 54.840 0.133 0.000 0.763 213 L CB -1.126 40.978 42.059 0.075 0.000 0.908 213 L HN 0.009 nan 8.230 nan 0.000 0.437 214 V N 0.890 120.914 119.914 0.183 0.000 2.358 214 V HA -0.185 3.935 4.120 0.000 0.000 0.246 214 V C 2.504 178.727 176.094 0.214 0.000 1.047 214 V CA 1.784 64.230 62.300 0.243 0.000 1.035 214 V CB -0.972 30.954 31.823 0.172 0.000 0.658 214 V HN 0.505 nan 8.190 nan 0.000 0.452 215 N N 0.834 119.633 118.700 0.164 0.000 2.104 215 N HA -0.146 4.594 4.740 0.000 0.000 0.190 215 N C 1.905 177.471 175.510 0.094 0.000 1.024 215 N CA 1.756 54.879 53.050 0.122 0.000 0.853 215 N CB -0.567 37.976 38.487 0.092 0.000 1.008 215 N HN 0.487 nan 8.380 nan 0.000 0.424 216 A N 0.247 123.147 122.820 0.134 0.000 1.902 216 A HA -0.209 4.111 4.320 0.000 0.000 0.217 216 A C 2.121 179.731 177.584 0.044 0.000 1.181 216 A CA 1.872 53.969 52.037 0.100 0.000 0.623 216 A CB -0.937 18.184 19.000 0.201 0.000 0.818 216 A HN 0.456 nan 8.150 nan 0.000 0.443 217 H N -0.155 118.891 119.070 -0.041 0.000 2.293 217 H HA 0.034 4.590 4.556 0.000 0.000 0.300 217 H C 2.247 177.490 175.328 -0.142 0.000 1.082 217 H CA 2.082 58.017 56.048 -0.189 0.000 1.308 217 H CB -0.294 29.236 29.762 -0.387 0.000 1.375 217 H HN 0.389 nan 8.280 nan 0.000 0.495 218 A N -0.280 122.582 122.820 0.069 0.000 1.908 218 A HA -0.208 4.112 4.320 0.000 0.000 0.218 218 A C 2.738 180.325 177.584 0.006 0.000 1.181 218 A CA 1.605 53.689 52.037 0.078 0.000 0.627 218 A CB -1.285 17.795 19.000 0.134 0.000 0.818 218 A HN 0.659 nan 8.150 nan 0.000 0.445 219 C N -1.350 117.969 119.300 0.032 0.000 2.422 219 C HA -0.039 4.421 4.460 0.000 0.000 0.279 219 C C 2.793 177.783 174.990 -0.000 0.000 1.305 219 C CA 1.143 60.225 59.018 0.107 0.000 1.757 219 C CB -1.347 26.475 27.740 0.138 0.000 1.962 219 C HN 0.732 nan 8.230 nan 0.000 0.499 220 R N -0.133 120.261 120.500 -0.177 0.000 2.073 220 R HA -0.128 4.212 4.340 0.000 0.000 0.234 220 R C 2.246 178.360 176.300 -0.311 0.000 1.134 220 R CA 1.557 57.473 56.100 -0.307 0.000 0.952 220 R CB -0.422 29.588 30.300 -0.483 0.000 0.850 220 R HN 0.597 nan 8.270 nan 0.000 0.433 221 H N 0.613 119.563 119.070 -0.200 0.000 2.326 221 H HA -0.091 4.465 4.556 0.000 0.000 0.301 221 H C 2.201 177.526 175.328 -0.005 0.000 1.081 221 H CA 1.643 57.619 56.048 -0.120 0.000 1.334 221 H CB -0.248 29.450 29.762 -0.107 0.000 1.385 221 H HN 0.243 nan 8.280 nan 0.000 0.504 222 L N -0.182 121.029 121.223 -0.020 0.000 2.083 222 L HA -0.086 4.254 4.340 0.000 0.000 0.209 222 L C 2.765 179.497 176.870 -0.230 0.000 1.083 222 L CA 1.059 55.706 54.840 -0.322 0.000 0.752 222 L CB -0.796 40.677 42.059 -0.977 0.000 0.899 222 L HN 0.301 nan 8.230 nan 0.000 0.433 223 G N -0.093 108.703 108.800 -0.006 0.000 2.422 223 G HA2 -0.258 3.702 3.960 0.000 0.000 0.218 223 G HA3 -0.258 3.702 3.960 0.000 0.000 0.218 223 G C 1.402 176.395 174.900 0.155 0.000 1.146 223 G CA 0.569 45.842 45.100 0.289 0.000 0.769 223 G HN 0.313 nan 8.290 nan 0.000 0.547 224 N N -0.026 118.662 118.700 -0.021 0.000 2.244 224 N HA -0.074 4.666 4.740 0.000 0.000 0.183 224 N C 1.811 177.236 175.510 -0.143 0.000 1.016 224 N CA 0.761 53.738 53.050 -0.120 0.000 0.866 224 N CB -0.303 38.056 38.487 -0.214 0.000 0.980 224 N HN 0.586 nan 8.380 nan 0.000 0.430 225 W N 1.530 122.783 121.300 -0.078 0.000 2.418 225 W HA 0.094 4.754 4.660 0.000 0.000 0.292 225 W C 2.452 178.942 176.519 -0.049 0.000 1.213 225 W CA 1.008 58.302 57.345 -0.085 0.000 1.283 225 W CB -0.347 29.018 29.460 -0.158 0.000 1.119 225 W HN 0.016 nan 8.180 nan 0.000 0.542 226 A N -0.172 122.766 122.820 0.196 0.000 1.933 226 A HA -0.172 4.148 4.320 0.000 0.000 0.218 226 A C 1.979 179.646 177.584 0.138 0.000 1.175 226 A CA 2.108 54.269 52.037 0.207 0.000 0.628 226 A CB -1.053 18.154 19.000 0.346 0.000 0.814 226 A HN 0.099 nan 8.150 nan 0.000 0.444 227 V N -0.384 119.596 119.914 0.111 0.000 2.323 227 V HA -0.179 3.941 4.120 0.000 0.000 0.244 227 V C 3.061 179.136 176.094 -0.032 0.000 1.041 227 V CA 1.809 64.118 62.300 0.015 0.000 1.025 227 V CB -1.166 30.671 31.823 0.023 0.000 0.656 227 V HN 0.605 nan 8.190 nan 0.000 0.451 228 A N -0.209 122.587 122.820 -0.041 0.000 1.902 228 A HA -0.155 4.165 4.320 0.000 0.000 0.217 228 A C 2.190 179.793 177.584 0.031 0.000 1.181 228 A CA 1.807 53.809 52.037 -0.057 0.000 0.623 228 A CB -0.519 18.366 19.000 -0.192 0.000 0.818 228 A HN 0.512 nan 8.150 nan 0.000 0.443 229 L N -1.146 120.135 121.223 0.098 0.000 2.109 229 L HA -0.099 4.242 4.340 0.000 0.000 0.207 229 L C 2.675 179.606 176.870 0.102 0.000 1.086 229 L CA 1.506 56.420 54.840 0.123 0.000 0.760 229 L CB -0.858 41.295 42.059 0.157 0.000 0.910 229 L HN 0.304 nan 8.230 nan 0.000 0.437 230 T N 0.137 114.742 114.554 0.086 0.000 2.788 230 T HA -0.142 4.208 4.350 0.000 0.000 0.268 230 T C 2.029 176.830 174.700 0.168 0.000 1.044 230 T CA 1.313 63.475 62.100 0.103 0.000 1.139 230 T CB -0.119 68.764 68.868 0.025 0.000 0.867 230 T HN 0.436 nan 8.240 nan 0.000 0.454 231 A N 1.179 124.060 122.820 0.101 0.000 1.898 231 A HA 0.026 4.346 4.320 0.000 0.000 0.216 231 A C 2.183 179.882 177.584 0.191 0.000 1.181 231 A CA 1.069 53.223 52.037 0.195 0.000 0.620 231 A CB -0.742 18.308 19.000 0.082 0.000 0.819 231 A HN 0.392 nan 8.150 nan 0.000 0.442 232 L N -0.740 120.556 121.223 0.121 0.000 2.141 232 L HA -0.065 4.275 4.340 0.000 0.000 0.209 232 L C 2.183 179.111 176.870 0.097 0.000 1.094 232 L CA 1.638 56.536 54.840 0.097 0.000 0.763 232 L CB -0.673 41.433 42.059 0.079 0.000 0.908 232 L HN 0.383 nan 8.230 nan 0.000 0.437 233 L N -0.277 121.014 121.223 0.114 0.000 2.046 233 L HA -0.094 4.246 4.340 0.000 0.000 0.208 233 L C 2.475 179.406 176.870 0.102 0.000 1.077 233 L CA 2.018 56.916 54.840 0.098 0.000 0.747 233 L CB -0.949 41.177 42.059 0.112 0.000 0.896 233 L HN 0.246 nan 8.230 nan 0.000 0.432 234 A N -0.824 122.091 122.820 0.158 0.000 1.933 234 A HA -0.201 4.119 4.320 0.000 0.000 0.218 234 A C 2.130 179.745 177.584 0.051 0.000 1.175 234 A CA 1.751 53.849 52.037 0.101 0.000 0.628 234 A CB -0.578 18.508 19.000 0.144 0.000 0.814 234 A HN 0.635 nan 8.150 nan 0.000 0.444 235 E N -1.069 119.175 120.200 0.074 0.000 2.274 235 E HA -0.120 4.230 4.350 0.000 0.000 0.194 235 E C 1.694 178.313 176.600 0.032 0.000 0.996 235 E CA 0.986 57.414 56.400 0.048 0.000 0.840 235 E CB -0.243 29.491 29.700 0.057 0.000 0.772 235 E HN 0.675 nan 8.360 nan 0.000 0.491 236 C N 0.124 119.444 119.300 0.035 0.000 2.563 236 C HA 0.143 4.603 4.460 0.000 0.000 0.268 236 C C 1.722 176.718 174.990 0.011 0.000 1.365 236 C CA 0.072 59.103 59.018 0.021 0.000 1.754 236 C CB -0.247 27.504 27.740 0.018 0.000 1.932 236 C HN 0.312 nan 8.230 nan 0.000 0.536 237 L N -0.049 121.181 121.223 0.013 0.000 3.202 237 L HA 0.280 4.620 4.340 0.000 0.000 0.278 237 L C 0.252 177.117 176.870 -0.009 0.000 1.268 237 L CA -0.112 54.729 54.840 0.002 0.000 1.034 237 L CB -0.297 41.766 42.059 0.008 0.000 1.407 237 L HN 0.231 nan 8.230 nan 0.000 0.581 238 R N 0.542 121.036 120.500 -0.010 0.000 3.322 238 R HA -0.162 4.178 4.340 0.000 0.000 0.253 238 R C 0.689 176.960 176.300 -0.047 0.000 0.987 238 R CA 0.441 56.528 56.100 -0.022 0.000 0.666 238 R CB -1.935 28.355 30.300 -0.017 0.000 1.072 238 R HN 0.506 nan 8.270 nan 0.000 0.447 239 G N 0.632 109.392 108.800 -0.068 0.000 2.544 239 G HA2 0.233 4.193 3.960 0.000 0.000 0.242 239 G HA3 0.233 4.193 3.960 0.000 0.000 0.242 239 G C -0.006 174.762 174.900 -0.221 0.000 1.247 239 G CA -0.648 44.368 45.100 -0.140 0.000 0.840 239 G HN 0.248 nan 8.290 nan 0.000 0.578 240 R N 0.564 120.900 120.500 -0.273 0.000 2.202 240 R HA 0.234 4.574 4.340 0.000 0.000 0.334 240 R C 1.560 177.559 176.300 -0.502 0.000 1.036 240 R CA 0.183 56.116 56.100 -0.279 0.000 0.878 240 R CB 0.904 31.095 30.300 -0.180 0.000 1.067 240 R HN 0.703 nan 8.270 nan 0.000 0.457 241 T N -1.130 113.177 114.554 -0.413 0.000 3.035 241 T HA -0.142 4.208 4.350 0.000 0.000 0.268 241 T C 1.447 175.990 174.700 -0.262 0.000 1.109 241 T CA 0.941 62.771 62.100 -0.449 0.000 1.119 241 T CB -0.046 68.717 68.868 -0.175 0.000 0.900 241 T HN 0.744 nan 8.240 nan 0.000 0.503 242 E N 1.907 121.997 120.200 -0.183 0.000 2.209 242 E HA -0.066 4.284 4.350 0.000 0.000 0.196 242 E C 2.224 178.786 176.600 -0.063 0.000 0.993 242 E CA 0.988 57.337 56.400 -0.085 0.000 0.819 242 E CB -0.596 29.070 29.700 -0.056 0.000 0.745 242 E HN 0.620 nan 8.360 nan 0.000 0.477 243 A N 0.761 123.487 122.820 -0.156 0.000 2.121 243 A HA -0.090 4.230 4.320 0.000 0.000 0.218 243 A C 1.016 178.712 177.584 0.187 0.000 1.154 243 A CA 0.722 52.731 52.037 -0.047 0.000 0.679 243 A CB -0.606 18.322 19.000 -0.120 0.000 0.795 243 A HN 0.503 nan 8.150 nan 0.000 0.458 244 W N -0.327 120.975 121.300 0.004 0.000 3.239 244 W HA 0.599 5.259 4.660 0.000 0.000 0.368 244 W C 0.824 177.346 176.519 0.006 0.000 1.154 244 W CA -1.086 56.263 57.345 0.006 0.000 1.860 244 W CB -1.349 28.117 29.460 0.011 0.000 1.094 244 W HN 0.345 nan 8.180 nan 0.000 0.643 245 A N 0.882 123.810 122.820 0.180 0.000 2.531 245 A HA 0.412 4.732 4.320 0.000 0.000 0.236 245 A C 1.674 179.313 177.584 0.091 0.000 1.062 245 A CA 0.740 52.840 52.037 0.106 0.000 0.760 245 A CB 0.566 19.600 19.000 0.058 0.000 0.995 245 A HN 0.256 nan 8.150 nan 0.000 0.501 246 A N 2.352 125.213 122.820 0.069 0.000 2.019 246 A HA 0.156 4.476 4.320 0.000 0.000 0.219 246 A C 2.316 179.923 177.584 0.038 0.000 1.164 246 A CA 2.094 54.162 52.037 0.051 0.000 0.644 246 A CB -0.853 18.171 19.000 0.039 0.000 0.805 246 A HN 1.715 nan 8.150 nan 0.000 0.449 247 A N -0.197 122.643 122.820 0.034 0.000 1.940 247 A HA -0.063 4.257 4.320 0.000 0.000 0.219 247 A C 2.125 179.723 177.584 0.023 0.000 1.176 247 A CA 1.474 53.525 52.037 0.023 0.000 0.631 247 A CB -0.518 18.493 19.000 0.018 0.000 0.814 247 A HN 0.488 nan 8.150 nan 0.000 0.446 248 L N -0.608 120.636 121.223 0.034 0.000 2.093 248 L HA -0.143 4.197 4.340 0.000 0.000 0.208 248 L C 2.852 179.741 176.870 0.031 0.000 1.085 248 L CA 1.356 56.216 54.840 0.034 0.000 0.755 248 L CB -0.371 41.718 42.059 0.050 0.000 0.904 248 L HN 0.340 nan 8.230 nan 0.000 0.435 249 S N -0.306 115.418 115.700 0.039 0.000 2.356 249 S HA -0.192 4.278 4.470 0.000 0.000 0.223 249 S C 1.522 176.131 174.600 0.015 0.000 1.032 249 S CA 1.371 59.592 58.200 0.034 0.000 1.005 249 S CB -0.318 62.906 63.200 0.040 0.000 0.867 249 S HN 0.441 nan 8.310 nan 0.000 0.449 250 D N 1.497 121.904 120.400 0.011 0.000 2.182 250 D HA -0.069 4.571 4.640 0.000 0.000 0.201 250 D C 1.760 178.052 176.300 -0.013 0.000 0.986 250 D CA 0.810 54.809 54.000 -0.001 0.000 0.847 250 D CB -0.312 40.490 40.800 0.002 0.000 0.942 250 D HN 0.335 nan 8.370 nan 0.000 0.467 251 L N -0.607 120.611 121.223 -0.009 0.000 2.291 251 L HA -0.003 4.337 4.340 0.000 0.000 0.214 251 L C 1.608 178.457 176.870 -0.034 0.000 1.120 251 L CA 0.542 55.371 54.840 -0.017 0.000 0.799 251 L CB 0.098 42.153 42.059 -0.007 0.000 0.925 251 L HN -0.168 nan 8.230 nan 0.000 0.446 252 R N 0.773 121.251 120.500 -0.035 0.000 2.629 252 R HA 0.192 4.532 4.340 0.000 0.000 0.277 252 R C -2.154 174.086 176.300 -0.100 0.000 1.637 252 R CA -1.407 54.650 56.100 -0.072 0.000 1.663 252 R CB 0.845 31.145 30.300 0.001 0.000 1.228 252 R HN -0.144 nan 8.270 nan 0.000 0.632 253 P HA -0.098 nan 4.420 nan 0.000 0.311 253 P C -0.685 176.551 177.300 -0.107 0.000 1.543 253 P CA 0.292 63.331 63.100 -0.101 0.000 0.766 253 P CB -0.329 31.321 31.700 -0.083 0.000 1.711 254 H N 0.762 119.834 119.070 0.002 0.000 2.848 254 H HA 0.077 4.633 4.556 0.000 0.000 0.317 254 H C -1.294 174.047 175.328 0.022 0.000 1.046 254 H CA -1.396 54.656 56.048 0.006 0.000 1.470 254 H CB 0.435 30.196 29.762 -0.002 0.000 1.483 254 H HN 0.080 nan 8.280 nan 0.000 0.548 255 P HA -0.166 nan 4.420 nan 0.000 0.215 255 P C 1.661 179.037 177.300 0.126 0.000 1.157 255 P CA 1.777 64.940 63.100 0.105 0.000 0.874 255 P CB 0.073 31.828 31.700 0.092 0.000 0.790 256 G N -0.425 108.468 108.800 0.156 0.000 2.442 256 G HA2 -0.318 3.642 3.960 0.000 0.000 0.219 256 G HA3 -0.318 3.642 3.960 0.000 0.000 0.219 256 G C 1.679 176.680 174.900 0.169 0.000 1.141 256 G CA 0.822 46.047 45.100 0.209 0.000 0.763 256 G HN 0.333 nan 8.290 nan 0.000 0.554 257 Q N 0.120 119.985 119.800 0.109 0.000 2.079 257 Q HA -0.074 4.266 4.340 0.000 0.000 0.200 257 Q C 2.470 178.509 176.000 0.066 0.000 0.974 257 Q CA 1.588 57.429 55.803 0.063 0.000 0.840 257 Q CB -0.201 28.590 28.738 0.090 0.000 0.898 257 Q HN 0.525 nan 8.270 nan 0.000 0.430 258 K N 0.113 120.560 120.400 0.079 0.000 2.057 258 K HA -0.222 4.098 4.320 0.000 0.000 0.207 258 K C 1.673 178.306 176.600 0.055 0.000 1.049 258 K CA 1.845 58.166 56.287 0.057 0.000 0.931 258 K CB -0.167 32.363 32.500 0.049 0.000 0.714 258 K HN 0.192 nan 8.250 nan 0.000 0.440 259 D N 0.009 120.456 120.400 0.079 0.000 2.097 259 D HA -0.110 4.530 4.640 0.000 0.000 0.197 259 D C 1.729 178.084 176.300 0.091 0.000 0.984 259 D CA 1.561 55.604 54.000 0.072 0.000 0.826 259 D CB -0.083 40.764 40.800 0.078 0.000 0.973 259 D HN 0.325 nan 8.370 nan 0.000 0.460 260 A N 0.689 123.608 122.820 0.165 0.000 1.865 260 A HA -0.043 4.278 4.320 0.000 0.000 0.217 260 A C 2.432 179.983 177.584 -0.055 0.000 1.191 260 A CA 2.649 54.765 52.037 0.132 0.000 0.623 260 A CB -1.310 17.702 19.000 0.021 0.000 0.826 260 A HN 0.339 nan 8.150 nan 0.000 0.444 261 A N -0.267 122.516 122.820 -0.061 0.000 1.908 261 A HA 0.113 4.433 4.320 0.000 0.000 0.218 261 A C 2.534 180.093 177.584 -0.041 0.000 1.181 261 A CA 2.371 54.356 52.037 -0.086 0.000 0.627 261 A CB -1.109 17.902 19.000 0.018 0.000 0.818 261 A HN 1.158 nan 8.150 nan 0.000 0.445 262 A N -0.340 122.477 122.820 -0.004 0.000 1.902 262 A HA -0.179 4.141 4.320 0.000 0.000 0.217 262 A C 2.246 179.820 177.584 -0.017 0.000 1.181 262 A CA 1.702 53.742 52.037 0.006 0.000 0.623 262 A CB -0.441 18.565 19.000 0.009 0.000 0.818 262 A HN 0.553 nan 8.150 nan 0.000 0.443 263 R N -0.703 119.774 120.500 -0.038 0.000 2.092 263 R HA 0.059 4.399 4.340 0.000 0.000 0.231 263 R C 2.032 178.275 176.300 -0.094 0.000 1.119 263 R CA 1.172 57.238 56.100 -0.057 0.000 0.970 263 R CB -0.405 29.866 30.300 -0.048 0.000 0.864 263 R HN 0.506 nan 8.270 nan 0.000 0.440 264 L N 0.154 121.265 121.223 -0.187 0.000 2.056 264 L HA -0.157 4.183 4.340 0.000 0.000 0.207 264 L C 2.487 179.326 176.870 -0.052 0.000 1.078 264 L CA 1.387 56.022 54.840 -0.341 0.000 0.749 264 L CB -0.311 41.155 42.059 -0.988 0.000 0.901 264 L HN 0.153 nan 8.230 nan 0.000 0.433 265 R N -0.144 120.392 120.500 0.059 0.000 2.096 265 R HA -0.140 4.200 4.340 0.000 0.000 0.235 265 R C 2.379 178.735 176.300 0.094 0.000 1.127 265 R CA 1.315 57.515 56.100 0.166 0.000 0.968 265 R CB -0.486 29.896 30.300 0.137 0.000 0.861 265 R HN 0.352 nan 8.270 nan 0.000 0.440 266 A N 1.264 124.106 122.820 0.037 0.000 1.930 266 A HA -0.126 4.194 4.320 0.000 0.000 0.217 266 A C 2.024 179.618 177.584 0.017 0.000 1.175 266 A CA 0.993 53.041 52.037 0.018 0.000 0.627 266 A CB -0.216 18.779 19.000 -0.008 0.000 0.815 266 A HN 0.089 nan 8.150 nan 0.000 0.443 267 R N -0.151 120.356 120.500 0.011 0.000 2.096 267 R HA -0.111 4.229 4.340 0.000 0.000 0.235 267 R C 1.923 178.256 176.300 0.054 0.000 1.127 267 R CA 1.764 57.871 56.100 0.012 0.000 0.968 267 R CB -1.316 28.979 30.300 -0.008 0.000 0.861 267 R HN 0.660 nan 8.270 nan 0.000 0.440 268 V N -0.858 119.120 119.914 0.107 0.000 3.633 268 V HA 0.106 4.226 4.120 0.000 0.000 0.283 268 V C 0.218 176.359 176.094 0.077 0.000 1.305 268 V CA -0.553 61.818 62.300 0.118 0.000 1.153 268 V CB -0.561 31.380 31.823 0.197 0.000 0.950 268 V HN -0.082 nan 8.190 nan 0.000 0.432 269 D N 1.546 121.981 120.400 0.060 0.000 2.487 269 D HA 0.404 5.044 4.640 0.000 0.000 0.243 269 D C 1.443 177.760 176.300 0.027 0.000 1.154 269 D CA 1.955 55.978 54.000 0.039 0.000 0.876 269 D CB 0.449 41.266 40.800 0.028 0.000 1.161 269 D HN 0.566 nan 8.370 nan 0.000 0.478 270 G N 2.426 111.239 108.800 0.020 0.000 2.195 270 G HA2 -0.259 3.701 3.960 0.000 0.000 0.246 270 G HA3 -0.259 3.701 3.960 0.000 0.000 0.246 270 G C 0.484 175.394 174.900 0.017 0.000 0.984 270 G CA 0.288 45.397 45.100 0.015 0.000 0.633 270 G HN 0.783 nan 8.290 nan 0.000 0.525 271 S N 0.243 115.957 115.700 0.024 0.000 2.564 271 S HA 0.638 5.108 4.470 0.000 0.000 0.278 271 S C 1.196 175.805 174.600 0.015 0.000 1.333 271 S CA 0.879 59.094 58.200 0.025 0.000 1.048 271 S CB 1.239 64.461 63.200 0.037 0.000 0.900 271 S HN 1.623 nan 8.310 nan 0.000 0.505 272 A N 5.301 128.131 122.820 0.016 0.000 2.503 272 A HA 0.353 4.673 4.320 0.000 0.000 0.263 272 A C 1.622 179.216 177.584 0.017 0.000 1.258 272 A CA -0.382 51.664 52.037 0.014 0.000 0.936 272 A CB 0.104 19.113 19.000 0.015 0.000 1.070 272 A HN 0.720 nan 8.150 nan 0.000 0.522 273 R N -0.251 120.259 120.500 0.017 0.000 2.282 273 R HA 0.125 4.465 4.340 0.000 0.000 0.195 273 R C 0.727 177.032 176.300 0.007 0.000 0.909 273 R CA 0.920 57.029 56.100 0.015 0.000 1.039 273 R CB -0.185 30.127 30.300 0.019 0.000 1.015 273 R HN 0.490 nan 8.270 nan 0.000 0.513 274 V N -1.099 118.816 119.914 0.001 0.000 2.997 274 V HA 0.456 4.576 4.120 0.000 0.000 0.311 274 V C 0.508 176.590 176.094 -0.019 0.000 1.066 274 V CA -0.942 61.342 62.300 -0.026 0.000 1.039 274 V CB 1.972 33.767 31.823 -0.046 0.000 1.081 274 V HN -0.263 nan 8.190 nan 0.000 0.467 275 V N 3.847 123.740 119.914 -0.035 0.000 2.406 275 V HA 0.442 4.562 4.120 0.000 0.000 0.272 275 V C 1.020 177.102 176.094 -0.020 0.000 1.043 275 V CA -0.239 62.076 62.300 0.024 0.000 0.915 275 V CB 0.700 32.535 31.823 0.020 0.000 0.988 275 V HN 0.934 nan 8.190 nan 0.000 0.466 276 R N 1.752 122.229 120.500 -0.038 0.000 2.397 276 R HA 0.208 4.548 4.340 0.000 0.000 0.241 276 R C -0.398 175.783 176.300 -0.199 0.000 0.914 276 R CA -0.233 55.778 56.100 -0.148 0.000 1.071 276 R CB 0.234 30.417 30.300 -0.194 0.000 1.116 276 R HN 0.754 nan 8.270 nan 0.000 0.524 277 H N 0.070 119.115 119.070 -0.042 0.000 2.620 277 H HA 0.134 4.690 4.556 0.000 0.000 0.313 277 H C -0.119 175.187 175.328 -0.036 0.000 1.075 277 H CA -0.379 55.650 56.048 -0.033 0.000 1.397 277 H CB 1.038 30.784 29.762 -0.028 0.000 1.446 277 H HN -0.217 nan 8.280 nan 0.000 0.493 278 V N 5.752 125.702 119.914 0.061 0.000 2.521 278 V HA -0.079 4.041 4.120 0.000 0.000 0.286 278 V C 1.954 178.074 176.094 0.044 0.000 1.034 278 V CA 0.216 62.533 62.300 0.029 0.000 1.045 278 V CB -0.221 31.610 31.823 0.013 0.000 0.974 278 V HN 0.861 nan 8.190 nan 0.000 0.480 279 I N 3.145 123.730 120.570 0.025 0.000 2.361 279 I HA -0.089 4.081 4.170 0.000 0.000 0.251 279 I C 2.100 178.223 176.117 0.011 0.000 1.133 279 I CA 1.802 63.111 61.300 0.015 0.000 1.413 279 I CB -0.313 37.687 38.000 0.001 0.000 1.073 279 I HN 0.577 nan 8.210 nan 0.000 0.424 280 A N 1.108 123.934 122.820 0.010 0.000 2.172 280 A HA -0.099 4.221 4.320 0.000 0.000 0.216 280 A C 2.111 179.701 177.584 0.010 0.000 1.154 280 A CA 1.114 53.155 52.037 0.008 0.000 0.701 280 A CB -0.516 18.488 19.000 0.006 0.000 0.789 280 A HN 0.520 nan 8.150 nan 0.000 0.465 281 E N -0.071 120.139 120.200 0.017 0.000 2.285 281 E HA -0.088 4.262 4.350 0.000 0.000 0.194 281 E C 1.102 177.710 176.600 0.014 0.000 0.997 281 E CA 0.151 56.562 56.400 0.019 0.000 0.845 281 E CB -0.185 29.534 29.700 0.032 0.000 0.782 281 E HN 0.632 nan 8.360 nan 0.000 0.491 282 R N 1.783 122.288 120.500 0.009 0.000 2.401 282 R HA 0.087 4.427 4.340 0.000 0.000 0.299 282 R C -0.351 175.948 176.300 -0.002 0.000 1.064 282 R CA -0.025 56.075 56.100 -0.000 0.000 1.000 282 R CB 0.417 30.711 30.300 -0.010 0.000 0.973 282 R HN -0.139 nan 8.270 nan 0.000 0.438 283 R N 5.182 125.680 120.500 -0.003 0.000 2.265 283 R HA 0.293 4.633 4.340 0.000 0.000 0.319 283 R C -0.431 175.866 176.300 -0.006 0.000 1.006 283 R CA -0.578 55.520 56.100 -0.003 0.000 0.880 283 R CB 1.163 31.462 30.300 -0.001 0.000 1.077 283 R HN 0.479 nan 8.270 nan 0.000 0.454 284 L N 2.733 123.952 121.223 -0.006 0.000 2.379 284 L HA 0.357 4.697 4.340 0.000 0.000 0.269 284 L C 0.138 177.004 176.870 -0.006 0.000 1.084 284 L CA -0.538 54.298 54.840 -0.007 0.000 0.802 284 L CB 0.936 42.991 42.059 -0.007 0.000 1.175 284 L HN 0.685 nan 8.230 nan 0.000 0.448 285 D N 0.657 121.053 120.400 -0.007 0.000 2.566 285 D HA 0.433 5.073 4.640 0.000 0.000 0.254 285 D C 0.516 176.812 176.300 -0.006 0.000 1.090 285 D CA -0.329 53.668 54.000 -0.006 0.000 1.034 285 D CB 1.318 42.115 40.800 -0.006 0.000 1.434 285 D HN 0.424 nan 8.370 nan 0.000 0.509 286 A N 0.083 122.900 122.820 -0.005 0.000 1.958 286 A HA -0.028 4.292 4.320 0.000 0.000 0.221 286 A C 2.021 179.602 177.584 -0.006 0.000 1.178 286 A CA 2.353 54.387 52.037 -0.005 0.000 0.642 286 A CB -1.669 17.329 19.000 -0.004 0.000 0.816 286 A HN 0.731 nan 8.150 nan 0.000 0.453 287 G N -1.204 107.592 108.800 -0.006 0.000 2.559 287 G HA2 -0.093 3.868 3.960 0.000 0.000 0.216 287 G HA3 -0.093 3.868 3.960 0.000 0.000 0.216 287 G C 0.917 175.812 174.900 -0.009 0.000 1.126 287 G CA 0.987 46.083 45.100 -0.007 0.000 0.778 287 G HN 0.526 nan 8.290 nan 0.000 0.543 288 D N 0.217 120.612 120.400 -0.009 0.000 2.333 288 D HA 0.028 4.668 4.640 0.000 0.000 0.208 288 D C 0.898 177.192 176.300 -0.010 0.000 0.984 288 D CA -0.077 53.916 54.000 -0.011 0.000 0.873 288 D CB 0.469 41.262 40.800 -0.011 0.000 0.935 288 D HN 0.124 nan 8.370 nan 0.000 0.521 289 I N 1.712 122.277 120.570 -0.008 0.000 2.581 289 I HA 0.290 4.460 4.170 0.000 0.000 0.285 289 I C 1.303 177.416 176.117 -0.007 0.000 1.129 289 I CA 0.702 61.997 61.300 -0.007 0.000 1.397 289 I CB -0.066 37.931 38.000 -0.006 0.000 1.399 289 I HN -0.045 nan 8.210 nan 0.000 0.537 290 G N 5.287 114.083 108.800 -0.008 0.000 2.336 290 G HA2 0.211 4.171 3.960 0.000 0.000 0.286 290 G HA3 0.211 4.171 3.960 0.000 0.000 0.286 290 G C -1.202 173.693 174.900 -0.009 0.000 1.269 290 G CA -0.657 44.438 45.100 -0.008 0.000 0.873 290 G HN 0.338 nan 8.290 nan 0.000 0.494 291 T N 1.919 116.468 114.554 -0.009 0.000 2.749 291 T HA 0.542 4.892 4.350 0.000 0.000 0.287 291 T C -0.117 174.576 174.700 -0.012 0.000 0.970 291 T CA -0.197 61.897 62.100 -0.010 0.000 0.980 291 T CB 1.240 70.102 68.868 -0.009 0.000 0.924 291 T HN 0.431 nan 8.240 nan 0.000 0.456 292 E N 3.214 123.407 120.200 -0.013 0.000 2.283 292 E HA 0.204 4.554 4.350 0.000 0.000 0.267 292 E C -1.321 175.270 176.600 -0.015 0.000 1.045 292 E CA -2.063 54.327 56.400 -0.015 0.000 0.884 292 E CB 0.733 30.422 29.700 -0.018 0.000 1.106 292 E HN 0.324 nan 8.360 nan 0.000 0.408 293 P HA -0.143 nan 4.420 nan 0.000 0.216 293 P C -0.616 176.674 177.300 -0.017 0.000 1.150 293 P CA 1.427 64.517 63.100 -0.017 0.000 0.837 293 P CB 0.306 31.995 31.700 -0.018 0.000 0.786 294 E N -1.811 118.378 120.200 -0.018 0.000 2.393 294 E HA 0.605 4.955 4.350 0.000 0.000 0.273 294 E C -1.005 175.585 176.600 -0.017 0.000 0.918 294 E CA -1.147 55.242 56.400 -0.018 0.000 0.773 294 E CB 1.892 31.580 29.700 -0.020 0.000 1.275 294 E HN -0.106 nan 8.360 nan 0.000 0.451 295 A N 0.584 123.395 122.820 -0.014 0.000 2.406 295 A HA 0.418 4.739 4.320 0.000 0.000 0.243 295 A C 1.201 178.779 177.584 -0.011 0.000 1.082 295 A CA 0.395 52.426 52.037 -0.010 0.000 0.786 295 A CB 0.031 19.027 19.000 -0.005 0.000 1.029 295 A HN 0.794 nan 8.150 nan 0.000 0.495 296 G N -0.550 108.244 108.800 -0.009 0.000 2.848 296 G HA2 0.260 4.220 3.960 0.000 0.000 0.208 296 G HA3 0.260 4.220 3.960 0.000 0.000 0.208 296 G C 0.464 175.357 174.900 -0.011 0.000 1.152 296 G CA 0.417 45.510 45.100 -0.011 0.000 0.789 296 G HN 0.734 nan 8.290 nan 0.000 0.531 297 Q N 0.115 119.914 119.800 -0.002 0.000 2.423 297 Q HA 0.328 4.668 4.340 0.000 0.000 0.278 297 Q C -1.461 174.545 176.000 0.011 0.000 1.097 297 Q CA -1.044 54.761 55.803 0.003 0.000 0.809 297 Q CB 2.049 30.804 28.738 0.028 0.000 1.391 297 Q HN 0.022 nan 8.270 nan 0.000 0.428 298 D N 0.634 121.039 120.400 0.007 0.000 2.383 298 D HA 0.382 5.022 4.640 0.000 0.000 0.248 298 D C -0.144 176.206 176.300 0.083 0.000 1.170 298 D CA -0.124 53.889 54.000 0.022 0.000 0.977 298 D CB 0.862 41.661 40.800 -0.001 0.000 1.120 298 D HN 0.625 nan 8.370 nan 0.000 0.481 299 A N 0.328 123.192 122.820 0.074 0.000 2.366 299 A HA 0.012 4.332 4.320 0.000 0.000 0.250 299 A C 0.657 178.389 177.584 0.247 0.000 1.099 299 A CA -0.067 52.026 52.037 0.094 0.000 0.794 299 A CB -0.099 18.915 19.000 0.024 0.000 1.056 299 A HN 0.540 nan 8.150 nan 0.000 0.499 300 Y N 0.791 121.107 120.300 0.026 0.000 2.256 300 Y HA -0.200 4.350 4.550 0.000 0.000 0.288 300 Y C 2.965 178.899 175.900 0.056 0.000 1.155 300 Y CA 1.603 59.726 58.100 0.038 0.000 1.203 300 Y CB -1.321 37.153 38.460 0.023 0.000 0.980 300 Y HN 0.740 nan 8.280 nan 0.000 0.530 301 S N -0.940 114.888 115.700 0.214 0.000 2.465 301 S HA -0.127 4.343 4.470 0.000 0.000 0.241 301 S C 1.824 176.529 174.600 0.175 0.000 1.000 301 S CA 1.192 59.484 58.200 0.153 0.000 0.964 301 S CB -0.596 62.669 63.200 0.109 0.000 0.763 301 S HN 0.456 nan 8.310 nan 0.000 0.512 302 L N -0.236 121.107 121.223 0.200 0.000 2.541 302 L HA 0.354 4.694 4.340 0.000 0.000 0.187 302 L C 2.790 179.863 176.870 0.338 0.000 1.098 302 L CA 0.262 55.266 54.840 0.274 0.000 0.846 302 L CB -0.266 41.892 42.059 0.165 0.000 1.151 302 L HN 0.161 nan 8.230 nan 0.000 0.492 303 R N -0.087 120.532 120.500 0.199 0.000 2.105 303 R HA -0.152 4.188 4.340 0.000 0.000 0.239 303 R C 1.576 177.970 176.300 0.157 0.000 1.135 303 R CA 1.802 57.993 56.100 0.152 0.000 0.967 303 R CB -0.209 30.145 30.300 0.090 0.000 0.861 303 R HN 0.401 nan 8.270 nan 0.000 0.442 304 C N 0.217 119.570 119.300 0.089 0.000 2.780 304 C HA 0.426 4.886 4.460 0.000 0.000 0.287 304 C C 2.140 177.143 174.990 0.020 0.000 1.288 304 C CA -0.371 58.639 59.018 -0.013 0.000 1.713 304 C CB -0.438 27.192 27.740 -0.184 0.000 1.955 304 C HN 0.616 nan 8.230 nan 0.000 0.613 305 A N 2.668 125.549 122.820 0.101 0.000 1.908 305 A HA -0.110 4.210 4.320 0.000 0.000 0.218 305 A C 0.024 177.535 177.584 -0.122 0.000 1.181 305 A CA 1.816 53.851 52.037 -0.004 0.000 0.627 305 A CB -1.549 17.456 19.000 0.010 0.000 0.818 305 A HN 0.418 nan 8.150 nan 0.000 0.445 306 P HA -0.146 nan 4.420 nan 0.000 0.215 306 P C 1.268 178.500 177.300 -0.114 0.000 1.153 306 P CA 1.478 64.498 63.100 -0.134 0.000 0.853 306 P CB -0.041 31.630 31.700 -0.048 0.000 0.788 307 Q N -0.986 118.766 119.800 -0.081 0.000 2.083 307 Q HA -0.071 4.269 4.340 0.000 0.000 0.198 307 Q C 2.124 178.037 176.000 -0.145 0.000 0.969 307 Q CA 1.197 56.944 55.803 -0.094 0.000 0.838 307 Q CB -1.345 27.346 28.738 -0.078 0.000 0.900 307 Q HN 0.090 nan 8.270 nan 0.000 0.436 308 V N 0.359 120.186 119.914 -0.145 0.000 2.283 308 V HA -0.206 3.914 4.120 0.000 0.000 0.243 308 V C 2.095 178.033 176.094 -0.260 0.000 1.039 308 V CA 1.475 63.677 62.300 -0.164 0.000 1.016 308 V CB -0.625 31.130 31.823 -0.113 0.000 0.650 308 V HN 0.296 nan 8.190 nan 0.000 0.449 309 L N 0.638 121.659 121.223 -0.337 0.000 2.042 309 L HA -0.106 4.234 4.340 0.000 0.000 0.210 309 L C 2.686 179.016 176.870 -0.901 0.000 1.076 309 L CA 1.813 56.259 54.840 -0.657 0.000 0.749 309 L CB -1.263 40.389 42.059 -0.678 0.000 0.893 309 L HN 0.486 nan 8.230 nan 0.000 0.432 310 G N -0.323 108.174 108.800 -0.504 0.000 2.440 310 G HA2 -0.276 3.684 3.960 0.000 0.000 0.218 310 G HA3 -0.276 3.684 3.960 0.000 0.000 0.218 310 G C 1.769 176.561 174.900 -0.180 0.000 1.154 310 G CA 0.887 45.832 45.100 -0.259 0.000 0.767 310 G HN 0.482 nan 8.290 nan 0.000 0.552 311 A N 0.792 123.480 122.820 -0.219 0.000 1.902 311 A HA 0.179 4.499 4.320 0.000 0.000 0.217 311 A C 2.704 180.215 177.584 -0.121 0.000 1.181 311 A CA 2.055 53.983 52.037 -0.181 0.000 0.623 311 A CB -1.000 17.886 19.000 -0.190 0.000 0.818 311 A HN 0.521 nan 8.150 nan 0.000 0.443 312 G N -1.008 107.682 108.800 -0.183 0.000 2.418 312 G HA2 -0.123 3.837 3.960 0.000 0.000 0.217 312 G HA3 -0.123 3.837 3.960 0.000 0.000 0.217 312 G C 1.293 176.263 174.900 0.117 0.000 1.158 312 G CA 1.063 46.104 45.100 -0.099 0.000 0.771 312 G HN 0.374 nan 8.290 nan 0.000 0.545 313 F N 1.725 121.680 119.950 0.008 0.000 2.171 313 F HA 0.020 4.547 4.527 0.000 0.000 0.300 313 F C 2.331 178.155 175.800 0.041 0.000 1.090 313 F CA 0.462 58.478 58.000 0.027 0.000 1.293 313 F CB -0.658 38.352 39.000 0.016 0.000 1.013 313 F HN 0.120 nan 8.300 nan 0.000 0.486 314 D N -0.599 119.925 120.400 0.207 0.000 2.178 314 D HA -0.097 4.543 4.640 0.000 0.000 0.202 314 D C 2.202 178.608 176.300 0.176 0.000 0.974 314 D CA 1.376 55.465 54.000 0.149 0.000 0.841 314 D CB -0.325 40.513 40.800 0.063 0.000 0.953 314 D HN 0.208 nan 8.370 nan 0.000 0.478 315 T N 1.184 115.834 114.554 0.159 0.000 2.777 315 T HA -0.113 4.237 4.350 0.000 0.000 0.266 315 T C 1.900 176.767 174.700 0.278 0.000 1.040 315 T CA 0.350 62.584 62.100 0.224 0.000 1.141 315 T CB -0.201 68.751 68.868 0.139 0.000 0.868 315 T HN 0.038 nan 8.240 nan 0.000 0.444 316 L N 1.578 122.924 121.223 0.206 0.000 2.083 316 L HA 0.098 4.438 4.340 0.000 0.000 0.209 316 L C 2.569 179.562 176.870 0.204 0.000 1.083 316 L CA 1.709 56.649 54.840 0.166 0.000 0.752 316 L CB -1.051 41.091 42.059 0.139 0.000 0.899 316 L HN 0.221 nan 8.230 nan 0.000 0.433 317 A N -1.254 121.688 122.820 0.204 0.000 1.902 317 A HA -0.277 4.043 4.320 0.000 0.000 0.217 317 A C 2.128 179.859 177.584 0.244 0.000 1.181 317 A CA 1.728 53.875 52.037 0.183 0.000 0.623 317 A CB -1.421 17.676 19.000 0.162 0.000 0.818 317 A HN 0.732 nan 8.150 nan 0.000 0.443 318 W N 0.345 121.705 121.300 0.100 0.000 2.379 318 W HA -0.180 4.480 4.660 0.000 0.000 0.307 318 W C 2.250 178.837 176.519 0.113 0.000 1.200 318 W CA 1.879 59.278 57.345 0.090 0.000 1.297 318 W CB -0.761 28.747 29.460 0.079 0.000 1.140 318 W HN 0.626 nan 8.180 nan 0.000 0.507 319 H N 0.130 119.171 119.070 -0.049 0.000 2.319 319 H HA -0.172 4.384 4.556 0.000 0.000 0.297 319 H C 1.361 176.592 175.328 -0.162 0.000 1.097 319 H CA 2.405 58.315 56.048 -0.231 0.000 1.285 319 H CB -0.492 29.234 29.762 -0.060 0.000 1.368 319 H HN 0.061 nan 8.280 nan 0.000 0.495 320 D N 0.206 120.662 120.400 0.093 0.000 2.178 320 D HA -0.070 4.570 4.640 0.000 0.000 0.202 320 D C 2.590 178.867 176.300 -0.038 0.000 0.974 320 D CA 0.546 54.570 54.000 0.039 0.000 0.841 320 D CB -0.209 40.654 40.800 0.105 0.000 0.953 320 D HN 0.378 nan 8.370 nan 0.000 0.478 321 R N 0.287 120.775 120.500 -0.020 0.000 2.073 321 R HA -0.058 4.282 4.340 0.000 0.000 0.234 321 R C 2.303 178.552 176.300 -0.085 0.000 1.134 321 R CA 0.786 56.881 56.100 -0.008 0.000 0.952 321 R CB -0.430 29.913 30.300 0.071 0.000 0.850 321 R HN 0.106 nan 8.270 nan 0.000 0.433 322 V N 1.331 121.117 119.914 -0.215 0.000 2.358 322 V HA -0.204 3.916 4.120 0.000 0.000 0.246 322 V C 2.192 178.142 176.094 -0.240 0.000 1.047 322 V CA 1.262 63.409 62.300 -0.255 0.000 1.035 322 V CB -0.411 31.144 31.823 -0.447 0.000 0.658 322 V HN 0.224 nan 8.190 nan 0.000 0.452 323 L N 0.117 121.161 121.223 -0.298 0.000 2.083 323 L HA -0.128 4.212 4.340 0.000 0.000 0.209 323 L C 2.445 179.233 176.870 -0.136 0.000 1.083 323 L CA 2.323 57.012 54.840 -0.252 0.000 0.752 323 L CB -1.035 40.834 42.059 -0.317 0.000 0.899 323 L HN 0.332 nan 8.230 nan 0.000 0.433 324 T N -0.080 114.421 114.554 -0.090 0.000 2.720 324 T HA -0.173 4.177 4.350 0.000 0.000 0.268 324 T C 1.970 176.659 174.700 -0.018 0.000 1.037 324 T CA 2.051 64.135 62.100 -0.027 0.000 1.144 324 T CB -0.303 68.591 68.868 0.043 0.000 0.864 324 T HN 0.329 nan 8.240 nan 0.000 0.444 325 I N 0.598 121.142 120.570 -0.043 0.000 2.252 325 I HA -0.122 4.048 4.170 0.000 0.000 0.245 325 I C 2.722 178.788 176.117 -0.084 0.000 1.102 325 I CA 1.204 62.473 61.300 -0.052 0.000 1.385 325 I CB -0.293 37.653 38.000 -0.090 0.000 1.064 325 I HN 0.191 nan 8.210 nan 0.000 0.414 326 E N 1.311 121.441 120.200 -0.117 0.000 2.077 326 E HA -0.248 4.102 4.350 0.000 0.000 0.193 326 E C 2.021 178.571 176.600 -0.082 0.000 0.989 326 E CA 1.229 57.560 56.400 -0.114 0.000 0.800 326 E CB -0.260 29.366 29.700 -0.123 0.000 0.746 326 E HN 0.290 nan 8.360 nan 0.000 0.452 327 L N 1.039 122.214 121.223 -0.081 0.000 2.042 327 L HA -0.108 4.232 4.340 0.000 0.000 0.210 327 L C 1.221 178.048 176.870 -0.071 0.000 1.076 327 L CA 1.871 56.666 54.840 -0.076 0.000 0.749 327 L CB -0.496 41.510 42.059 -0.088 0.000 0.893 327 L HN 0.158 nan 8.230 nan 0.000 0.432 328 N N -0.067 118.595 118.700 -0.065 0.000 2.322 328 N HA 0.177 4.918 4.740 0.000 0.000 0.194 328 N C 0.309 175.807 175.510 -0.021 0.000 1.126 328 N CA 0.617 53.644 53.050 -0.040 0.000 0.845 328 N CB 0.197 38.689 38.487 0.009 0.000 0.976 328 N HN 0.414 nan 8.380 nan 0.000 0.475 329 A N 0.325 123.122 122.820 -0.039 0.000 2.256 329 A HA 0.525 4.845 4.320 0.000 0.000 0.318 329 A C 0.131 177.693 177.584 -0.036 0.000 1.103 329 A CA -0.415 51.596 52.037 -0.042 0.000 0.860 329 A CB 1.020 19.979 19.000 -0.070 0.000 1.182 329 A HN -0.028 nan 8.150 nan 0.000 0.501 330 V N 1.891 121.783 119.914 -0.036 0.000 2.320 330 V HA 0.343 4.463 4.120 0.000 0.000 0.265 330 V C 0.389 176.462 176.094 -0.035 0.000 1.048 330 V CA 0.204 62.487 62.300 -0.028 0.000 0.865 330 V CB 0.385 32.192 31.823 -0.026 0.000 1.043 330 V HN 0.924 nan 8.190 nan 0.000 0.474 331 T N 0.463 115.006 114.554 -0.018 0.000 3.042 331 T HA 0.642 4.992 4.350 0.000 0.000 0.356 331 T C -0.729 173.996 174.700 0.041 0.000 1.233 331 T CA -0.588 61.511 62.100 -0.003 0.000 1.038 331 T CB 0.869 69.742 68.868 0.007 0.000 1.089 331 T HN 0.600 nan 8.240 nan 0.000 0.531 332 D N 1.779 122.203 120.400 0.040 0.000 2.622 332 D HA 0.502 5.142 4.640 0.000 0.000 0.255 332 D C -1.698 174.645 176.300 0.072 0.000 1.246 332 D CA -0.438 53.606 54.000 0.074 0.000 0.795 332 D CB 2.152 42.970 40.800 0.029 0.000 1.369 332 D HN 0.494 nan 8.370 nan 0.000 0.425 333 N N 0.959 119.729 118.700 0.118 0.000 2.493 333 N HA 0.459 5.199 4.740 0.000 0.000 0.279 333 N C -2.920 172.631 175.510 0.068 0.000 1.082 333 N CA -1.071 52.021 53.050 0.069 0.000 0.963 333 N CB 2.860 41.525 38.487 0.296 0.000 1.627 333 N HN 0.071 nan 8.380 nan 0.000 0.499 334 P HA 0.318 nan 4.420 nan 0.000 0.289 334 P C -0.908 176.074 177.300 -0.530 0.000 1.299 334 P CA -0.401 62.436 63.100 -0.439 0.000 0.766 334 P CB 0.839 32.031 31.700 -0.847 0.000 1.226 335 V N -4.230 115.300 119.914 -0.640 0.000 2.962 335 V HA 0.617 4.737 4.120 0.000 0.000 0.313 335 V C -1.037 174.611 176.094 -0.744 0.000 1.099 335 V CA -0.935 61.003 62.300 -0.602 0.000 0.971 335 V CB 1.624 33.291 31.823 -0.260 0.000 1.028 335 V HN 0.202 nan 8.190 nan 0.000 0.430 336 F N 2.086 122.022 119.950 -0.023 0.000 2.311 336 F HA 0.614 5.141 4.527 0.000 0.000 0.371 336 F C -2.378 173.417 175.800 -0.007 0.000 1.083 336 F CA -2.628 55.364 58.000 -0.012 0.000 1.113 336 F CB 1.145 40.145 39.000 -0.001 0.000 1.349 336 F HN 0.288 nan 8.300 nan 0.000 0.470 337 P HA -0.020 nan 4.420 nan 0.000 0.258 337 P C -1.983 175.364 177.300 0.078 0.000 1.172 337 P CA -0.558 62.579 63.100 0.062 0.000 0.762 337 P CB 0.442 32.166 31.700 0.039 0.000 0.764 338 P HA -0.175 nan 4.420 nan 0.000 0.220 338 P C 0.788 178.111 177.300 0.038 0.000 1.148 338 P CA 1.303 64.434 63.100 0.051 0.000 0.803 338 P CB -0.105 31.619 31.700 0.039 0.000 0.782 339 D N -1.715 118.704 120.400 0.032 0.000 2.348 339 D HA 0.009 4.649 4.640 0.000 0.000 0.216 339 D C 1.474 177.790 176.300 0.028 0.000 0.970 339 D CA 0.997 55.012 54.000 0.025 0.000 0.889 339 D CB -1.200 39.611 40.800 0.018 0.000 0.912 339 D HN 0.175 nan 8.370 nan 0.000 0.524 340 G N -0.037 108.786 108.800 0.038 0.000 2.148 340 G HA2 -0.382 3.578 3.960 0.000 0.000 0.254 340 G HA3 -0.382 3.578 3.960 0.000 0.000 0.254 340 G C 1.270 176.192 174.900 0.037 0.000 0.981 340 G CA 1.131 46.255 45.100 0.041 0.000 0.670 340 G HN 0.652 nan 8.290 nan 0.000 0.528 341 S N -1.236 114.484 115.700 0.033 0.000 2.359 341 S HA 0.111 4.581 4.470 0.000 0.000 0.223 341 S C 1.299 175.919 174.600 0.033 0.000 1.039 341 S CA 2.169 60.386 58.200 0.027 0.000 1.042 341 S CB -0.620 62.593 63.200 0.021 0.000 0.915 341 S HN 2.055 nan 8.310 nan 0.000 0.439 342 V N -3.248 116.692 119.914 0.043 0.000 3.040 342 V HA 0.577 4.697 4.120 0.000 0.000 0.312 342 V C -2.395 173.747 176.094 0.081 0.000 1.115 342 V CA -2.202 60.130 62.300 0.053 0.000 0.998 342 V CB 1.187 33.038 31.823 0.046 0.000 1.042 342 V HN -0.076 nan 8.190 nan 0.000 0.433 343 P HA 0.190 nan 4.420 nan 0.000 0.215 343 P C 0.277 177.718 177.300 0.234 0.000 1.153 343 P CA 2.198 65.385 63.100 0.144 0.000 0.853 343 P CB 0.156 31.935 31.700 0.130 0.000 0.788 344 A N -2.101 120.809 122.820 0.151 0.000 2.597 344 A HA 0.628 4.948 4.320 0.000 0.000 0.292 344 A C -1.944 175.616 177.584 -0.039 0.000 1.057 344 A CA -0.554 51.501 52.037 0.029 0.000 0.674 344 A CB 0.395 19.401 19.000 0.009 0.000 1.278 344 A HN -0.051 nan 8.150 nan 0.000 0.416 345 L N 1.251 122.359 121.223 -0.191 0.000 2.365 345 L HA 0.573 4.913 4.340 0.000 0.000 0.273 345 L C -1.082 175.627 176.870 -0.269 0.000 1.000 345 L CA -0.660 54.106 54.840 -0.124 0.000 0.819 345 L CB 2.133 44.131 42.059 -0.103 0.000 1.284 345 L HN 0.830 nan 8.230 nan 0.000 0.418 346 H N 1.477 120.494 119.070 -0.089 0.000 2.551 346 H HA 0.718 5.274 4.556 0.000 0.000 0.321 346 H C 0.212 175.491 175.328 -0.083 0.000 1.028 346 H CA -0.122 55.874 56.048 -0.085 0.000 1.215 346 H CB 1.828 31.537 29.762 -0.088 0.000 1.414 346 H HN 0.746 nan 8.280 nan 0.000 0.480 347 G N 0.793 109.579 108.800 -0.023 0.000 2.896 347 G HA2 0.451 4.411 3.960 0.000 0.000 0.247 347 G HA3 0.451 4.411 3.960 0.000 0.000 0.247 347 G C -0.159 174.625 174.900 -0.194 0.000 1.187 347 G CA -0.352 44.697 45.100 -0.084 0.000 0.837 347 G HN 0.627 nan 8.290 nan 0.000 0.559 348 G N -0.004 108.553 108.800 -0.406 0.000 4.716 348 G HA2 0.276 4.236 3.960 0.000 0.000 0.282 348 G HA3 0.276 4.236 3.960 0.000 0.000 0.282 348 G C 0.219 174.501 174.900 -1.031 0.000 1.173 348 G CA -0.183 44.305 45.100 -1.021 0.000 0.913 348 G HN 0.263 nan 8.290 nan 0.000 0.566 349 N N 0.909 119.232 118.700 -0.629 0.000 2.609 349 N HA -0.024 4.716 4.740 0.000 0.000 0.190 349 N C 1.303 176.652 175.510 -0.269 0.000 1.157 349 N CA 0.243 53.081 53.050 -0.353 0.000 0.918 349 N CB -0.145 38.230 38.487 -0.188 0.000 0.978 349 N HN 0.635 nan 8.380 nan 0.000 0.448 350 F N -1.649 118.286 119.950 -0.025 0.000 2.749 350 F HA 0.377 4.904 4.527 0.000 0.000 0.300 350 F C 0.759 176.557 175.800 -0.003 0.000 1.103 350 F CA -0.904 57.087 58.000 -0.016 0.000 1.342 350 F CB -0.604 38.388 39.000 -0.013 0.000 1.098 350 F HN -0.167 nan 8.300 nan 0.000 0.586 351 M N 2.767 122.308 119.600 -0.098 0.000 2.350 351 M HA 0.382 4.862 4.480 0.000 0.000 0.338 351 M C 0.910 177.245 176.300 0.057 0.000 1.559 351 M CA -0.591 54.743 55.300 0.056 0.000 1.217 351 M CB 0.167 32.723 32.600 -0.074 0.000 1.808 351 M HN 0.242 nan 8.290 nan 0.000 0.458 352 G N 3.462 112.318 108.800 0.094 0.000 3.471 352 G HA2 0.051 4.011 3.960 0.000 0.000 0.254 352 G HA3 0.051 4.011 3.960 0.000 0.000 0.254 352 G C 0.650 175.585 174.900 0.058 0.000 1.199 352 G CA -0.206 44.935 45.100 0.069 0.000 1.683 352 G HN 0.807 nan 8.290 nan 0.000 0.625 353 Q N 0.046 119.879 119.800 0.055 0.000 2.167 353 Q HA -0.089 4.251 4.340 0.000 0.000 0.202 353 Q C 1.932 177.900 176.000 -0.053 0.000 0.970 353 Q CA 1.456 57.258 55.803 -0.002 0.000 0.855 353 Q CB -0.122 28.594 28.738 -0.036 0.000 0.911 353 Q HN 0.717 nan 8.270 nan 0.000 0.438 354 H N -1.677 117.366 119.070 -0.045 0.000 2.321 354 H HA -0.067 4.490 4.556 0.000 0.000 0.300 354 H C 1.786 177.029 175.328 -0.142 0.000 1.087 354 H CA 1.784 57.778 56.048 -0.089 0.000 1.319 354 H CB -0.007 29.690 29.762 -0.108 0.000 1.379 354 H HN 0.073 nan 8.280 nan 0.000 0.501 355 V N 0.412 120.329 119.914 0.004 0.000 2.548 355 V HA -0.187 3.933 4.120 0.000 0.000 0.249 355 V C 2.451 178.529 176.094 -0.026 0.000 1.055 355 V CA 1.325 63.589 62.300 -0.059 0.000 1.065 355 V CB -0.837 30.963 31.823 -0.038 0.000 0.681 355 V HN 0.561 nan 8.190 nan 0.000 0.462 356 A N 0.019 122.837 122.820 -0.003 0.000 1.873 356 A HA -0.125 4.195 4.320 0.000 0.000 0.215 356 A C 2.196 179.790 177.584 0.016 0.000 1.186 356 A CA 1.648 53.694 52.037 0.015 0.000 0.616 356 A CB -0.465 18.547 19.000 0.019 0.000 0.823 356 A HN 0.479 nan 8.150 nan 0.000 0.442 357 L N -0.095 121.125 121.223 -0.006 0.000 2.056 357 L HA -0.146 4.194 4.340 0.000 0.000 0.207 357 L C 2.996 179.900 176.870 0.057 0.000 1.078 357 L CA 1.807 56.671 54.840 0.040 0.000 0.749 357 L CB -0.930 41.162 42.059 0.055 0.000 0.901 357 L HN 0.651 nan 8.230 nan 0.000 0.433 358 T N -4.440 110.045 114.554 -0.115 0.000 2.867 358 T HA -0.102 4.248 4.350 0.000 0.000 0.268 358 T C 2.015 176.787 174.700 0.121 0.000 1.057 358 T CA 1.291 63.276 62.100 -0.191 0.000 1.136 358 T CB -0.257 68.291 68.868 -0.534 0.000 0.874 358 T HN 0.130 nan 8.240 nan 0.000 0.466 359 S N 1.641 117.407 115.700 0.110 0.000 2.368 359 S HA -0.094 4.376 4.470 0.000 0.000 0.224 359 S C 1.857 176.516 174.600 0.098 0.000 1.029 359 S CA 1.183 59.468 58.200 0.143 0.000 0.988 359 S CB -0.514 62.750 63.200 0.106 0.000 0.838 359 S HN 0.521 nan 8.310 nan 0.000 0.462 360 D N 1.648 122.100 120.400 0.087 0.000 2.144 360 D HA 0.007 4.647 4.640 0.000 0.000 0.199 360 D C 2.110 178.462 176.300 0.088 0.000 0.984 360 D CA 1.163 55.209 54.000 0.076 0.000 0.834 360 D CB -0.389 40.451 40.800 0.067 0.000 0.955 360 D HN 0.377 nan 8.370 nan 0.000 0.465 361 A N 0.696 123.604 122.820 0.146 0.000 1.898 361 A HA -0.125 4.195 4.320 0.000 0.000 0.216 361 A C 2.151 179.805 177.584 0.118 0.000 1.181 361 A CA 0.887 53.030 52.037 0.178 0.000 0.620 361 A CB -0.668 18.565 19.000 0.389 0.000 0.819 361 A HN 0.233 nan 8.150 nan 0.000 0.442 362 L N -0.200 121.086 121.223 0.105 0.000 2.083 362 L HA -0.037 4.303 4.340 0.000 0.000 0.209 362 L C 2.662 179.517 176.870 -0.025 0.000 1.083 362 L CA 2.052 56.898 54.840 0.010 0.000 0.752 362 L CB -0.782 41.205 42.059 -0.121 0.000 0.899 362 L HN 0.346 nan 8.230 nan 0.000 0.433 363 A N -1.585 121.235 122.820 0.000 0.000 1.908 363 A HA -0.221 4.099 4.320 0.000 0.000 0.218 363 A C 2.269 179.827 177.584 -0.043 0.000 1.181 363 A CA 2.369 54.398 52.037 -0.013 0.000 0.627 363 A CB -1.204 17.805 19.000 0.016 0.000 0.818 363 A HN 0.506 nan 8.150 nan 0.000 0.445 364 T N 0.232 114.771 114.554 -0.025 0.000 2.708 364 T HA -0.005 4.345 4.350 0.000 0.000 0.266 364 T C 2.239 176.882 174.700 -0.095 0.000 1.037 364 T CA 1.584 63.657 62.100 -0.045 0.000 1.146 364 T CB -0.471 68.386 68.868 -0.018 0.000 0.865 364 T HN 0.606 nan 8.240 nan 0.000 0.435 365 A N 0.939 123.704 122.820 -0.092 0.000 1.933 365 A HA -0.056 4.264 4.320 0.000 0.000 0.218 365 A C 2.577 179.989 177.584 -0.288 0.000 1.175 365 A CA 1.313 53.262 52.037 -0.146 0.000 0.628 365 A CB -1.025 17.924 19.000 -0.085 0.000 0.814 365 A HN 0.356 nan 8.150 nan 0.000 0.444 366 V N -0.289 119.442 119.914 -0.305 0.000 2.343 366 V HA -0.219 3.901 4.120 0.000 0.000 0.247 366 V C 2.736 178.499 176.094 -0.551 0.000 1.051 366 V CA 2.454 64.424 62.300 -0.550 0.000 1.036 366 V CB -1.132 30.529 31.823 -0.271 0.000 0.654 366 V HN 0.620 nan 8.190 nan 0.000 0.451 367 T N -0.258 114.121 114.554 -0.291 0.000 2.821 367 T HA -0.142 4.208 4.350 0.000 0.000 0.267 367 T C 1.935 176.499 174.700 -0.227 0.000 1.046 367 T CA 1.492 63.465 62.100 -0.212 0.000 1.139 367 T CB -0.150 68.651 68.868 -0.111 0.000 0.871 367 T HN 0.283 nan 8.240 nan 0.000 0.454 368 V N 1.195 120.972 119.914 -0.228 0.000 2.307 368 V HA -0.093 4.027 4.120 0.000 0.000 0.245 368 V C 2.374 178.327 176.094 -0.236 0.000 1.045 368 V CA 1.320 63.507 62.300 -0.188 0.000 1.024 368 V CB -0.545 31.181 31.823 -0.160 0.000 0.651 368 V HN 0.323 nan 8.190 nan 0.000 0.449 369 L N 0.275 121.262 121.223 -0.394 0.000 2.141 369 L HA -0.029 4.311 4.340 0.000 0.000 0.209 369 L C 2.505 179.174 176.870 -0.336 0.000 1.094 369 L CA 1.991 56.592 54.840 -0.398 0.000 0.763 369 L CB -1.096 40.596 42.059 -0.612 0.000 0.908 369 L HN 0.286 nan 8.230 nan 0.000 0.437 370 A N -0.637 121.863 122.820 -0.534 0.000 1.968 370 A HA -0.008 4.312 4.320 0.000 0.000 0.217 370 A C 2.419 179.989 177.584 -0.024 0.000 1.169 370 A CA 1.323 53.248 52.037 -0.186 0.000 0.638 370 A CB -1.158 17.744 19.000 -0.163 0.000 0.812 370 A HN 0.406 nan 8.150 nan 0.000 0.446 371 G N -0.046 108.708 108.800 -0.077 0.000 2.422 371 G HA2 -0.134 3.826 3.960 0.000 0.000 0.218 371 G HA3 -0.134 3.826 3.960 0.000 0.000 0.218 371 G C 1.467 176.372 174.900 0.007 0.000 1.146 371 G CA 1.193 46.278 45.100 -0.025 0.000 0.769 371 G HN 0.486 nan 8.290 nan 0.000 0.547 372 L N 1.399 122.623 121.223 0.001 0.000 2.017 372 L HA 0.157 4.497 4.340 0.000 0.000 0.208 372 L C 3.019 179.935 176.870 0.077 0.000 1.073 372 L CA 2.305 57.167 54.840 0.037 0.000 0.745 372 L CB -0.796 41.278 42.059 0.025 0.000 0.894 372 L HN 0.209 nan 8.230 nan 0.000 0.432 373 A N -0.940 121.951 122.820 0.120 0.000 1.933 373 A HA -0.218 4.102 4.320 0.000 0.000 0.218 373 A C 2.318 179.961 177.584 0.097 0.000 1.175 373 A CA 1.665 53.787 52.037 0.142 0.000 0.628 373 A CB -0.748 18.392 19.000 0.234 0.000 0.814 373 A HN 0.592 nan 8.150 nan 0.000 0.444 374 E N 0.021 120.272 120.200 0.086 0.000 2.077 374 E HA -0.193 4.157 4.350 0.000 0.000 0.193 374 E C 2.055 178.688 176.600 0.055 0.000 0.989 374 E CA 0.872 57.311 56.400 0.066 0.000 0.800 374 E CB -0.208 29.524 29.700 0.055 0.000 0.746 374 E HN 0.372 nan 8.360 nan 0.000 0.452 375 R N 0.349 120.880 120.500 0.051 0.000 2.148 375 R HA -0.032 4.308 4.340 0.000 0.000 0.223 375 R C 2.361 178.690 176.300 0.048 0.000 1.088 375 R CA 0.787 56.914 56.100 0.045 0.000 0.985 375 R CB -0.381 29.944 30.300 0.042 0.000 0.880 375 R HN 0.401 nan 8.270 nan 0.000 0.451 376 Q N 0.006 119.841 119.800 0.057 0.000 2.119 376 Q HA -0.037 4.303 4.340 0.000 0.000 0.201 376 Q C 2.159 178.181 176.000 0.037 0.000 0.972 376 Q CA 1.090 56.926 55.803 0.056 0.000 0.847 376 Q CB -0.068 28.713 28.738 0.072 0.000 0.903 376 Q HN 0.307 nan 8.270 nan 0.000 0.433 377 I N 0.562 121.153 120.570 0.036 0.000 2.252 377 I HA -0.242 3.928 4.170 0.000 0.000 0.245 377 I C 2.411 178.550 176.117 0.037 0.000 1.102 377 I CA 0.891 62.205 61.300 0.023 0.000 1.385 377 I CB -0.378 37.640 38.000 0.030 0.000 1.064 377 I HN 0.138 nan 8.210 nan 0.000 0.414 378 A N 0.770 123.619 122.820 0.048 0.000 1.933 378 A HA -0.248 4.072 4.320 0.000 0.000 0.218 378 A C 2.430 180.027 177.584 0.022 0.000 1.175 378 A CA 1.884 53.953 52.037 0.053 0.000 0.628 378 A CB -0.614 18.416 19.000 0.051 0.000 0.814 378 A HN 0.391 nan 8.150 nan 0.000 0.444 379 R N -0.964 119.544 120.500 0.014 0.000 2.062 379 R HA -0.024 4.316 4.340 0.000 0.000 0.226 379 R C 2.031 178.318 176.300 -0.020 0.000 1.125 379 R CA 1.370 57.468 56.100 -0.003 0.000 0.966 379 R CB -0.427 29.880 30.300 0.011 0.000 0.861 379 R HN 0.382 nan 8.270 nan 0.000 0.433 380 L N 1.206 122.421 121.223 -0.013 0.000 2.079 380 L HA -0.129 4.211 4.340 0.000 0.000 0.210 380 L C 1.987 178.826 176.870 -0.053 0.000 1.081 380 L CA 2.464 57.287 54.840 -0.028 0.000 0.752 380 L CB -0.487 41.555 42.059 -0.028 0.000 0.896 380 L HN 0.469 nan 8.230 nan 0.000 0.433 381 T N -4.392 110.131 114.554 -0.052 0.000 3.107 381 T HA 0.034 4.384 4.350 0.000 0.000 0.249 381 T C 0.718 175.202 174.700 -0.360 0.000 1.096 381 T CA -0.119 61.917 62.100 -0.106 0.000 1.012 381 T CB -0.426 68.499 68.868 0.095 0.000 0.977 381 T HN 0.237 nan 8.240 nan 0.000 0.527 382 D N 2.670 122.928 120.400 -0.237 0.000 2.347 382 D HA 0.079 4.719 4.640 0.000 0.000 0.235 382 D C 1.320 177.498 176.300 -0.203 0.000 1.149 382 D CA -0.315 53.526 54.000 -0.265 0.000 0.850 382 D CB 1.238 41.965 40.800 -0.121 0.000 1.061 382 D HN 0.607 nan 8.370 nan 0.000 0.487 383 E N 3.170 123.225 120.200 -0.241 0.000 2.331 383 E HA -0.209 4.141 4.350 0.000 0.000 0.199 383 E C 1.031 177.583 176.600 -0.080 0.000 1.008 383 E CA 0.797 57.117 56.400 -0.133 0.000 0.843 383 E CB 0.074 29.711 29.700 -0.105 0.000 0.761 383 E HN 0.373 nan 8.360 nan 0.000 0.507 384 R N 0.016 120.469 120.500 -0.078 0.000 2.240 384 R HA 0.170 4.510 4.340 0.000 0.000 0.203 384 R C 1.752 178.026 176.300 -0.043 0.000 1.011 384 R CA 0.570 56.642 56.100 -0.048 0.000 1.007 384 R CB 0.184 30.461 30.300 -0.038 0.000 0.911 384 R HN 0.270 nan 8.270 nan 0.000 0.468 385 L N 0.061 121.253 121.223 -0.052 0.000 2.781 385 L HA 0.121 4.462 4.340 0.000 0.000 0.245 385 L C 0.569 177.417 176.870 -0.037 0.000 1.118 385 L CA -0.112 54.704 54.840 -0.039 0.000 0.918 385 L CB 0.190 42.227 42.059 -0.036 0.000 1.246 385 L HN 0.113 nan 8.230 nan 0.000 0.526 386 N N 0.989 119.660 118.700 -0.047 0.000 2.362 386 N HA -0.034 4.706 4.740 0.000 0.000 0.211 386 N C -0.029 175.464 175.510 -0.029 0.000 1.170 386 N CA -0.336 52.691 53.050 -0.039 0.000 0.828 386 N CB -0.216 38.239 38.487 -0.052 0.000 1.034 386 N HN 0.083 nan 8.380 nan 0.000 0.475 387 R N -0.453 120.031 120.500 -0.027 0.000 3.188 387 R HA -0.173 4.167 4.340 0.000 0.000 0.247 387 R C 0.851 177.140 176.300 -0.019 0.000 0.918 387 R CA 0.485 56.573 56.100 -0.021 0.000 0.629 387 R CB -2.173 28.116 30.300 -0.017 0.000 1.087 387 R HN 0.604 nan 8.270 nan 0.000 0.462 388 G N -0.974 107.814 108.800 -0.020 0.000 2.213 388 G HA2 -0.302 3.658 3.960 0.000 0.000 0.236 388 G HA3 -0.302 3.658 3.960 0.000 0.000 0.236 388 G C 0.289 175.178 174.900 -0.017 0.000 0.991 388 G CA 0.016 45.107 45.100 -0.016 0.000 0.629 388 G HN 0.265 nan 8.290 nan 0.000 0.517 389 L N 1.893 123.102 121.223 -0.023 0.000 2.452 389 L HA 0.397 4.737 4.340 0.000 0.000 0.267 389 L C -1.608 175.247 176.870 -0.025 0.000 1.188 389 L CA -1.882 52.944 54.840 -0.024 0.000 0.821 389 L CB 0.527 42.571 42.059 -0.025 0.000 1.102 389 L HN -0.056 nan 8.230 nan 0.000 0.470 390 P HA 0.062 nan 4.420 nan 0.000 0.269 390 P C -2.472 174.860 177.300 0.053 0.000 1.209 390 P CA -1.013 62.087 63.100 0.001 0.000 0.776 390 P CB -0.166 31.430 31.700 -0.173 0.000 0.876 391 P HA -0.020 nan 4.420 nan 0.000 0.263 391 P C -0.254 177.106 177.300 0.100 0.000 1.195 391 P CA 0.366 63.421 63.100 -0.074 0.000 0.762 391 P CB -0.185 31.510 31.700 -0.009 0.000 0.799 392 F N 1.627 121.675 119.950 0.163 0.000 3.084 392 F HA -0.239 4.288 4.527 0.000 0.000 0.286 392 F C 1.307 177.282 175.800 0.292 0.000 0.855 392 F CA 0.311 58.432 58.000 0.202 0.000 1.091 392 F CB -2.623 36.487 39.000 0.183 0.000 1.177 392 F HN 0.273 nan 8.300 nan 0.000 0.542 393 L N -1.615 119.775 121.223 0.278 0.000 3.781 393 L HA -0.320 4.021 4.340 0.000 0.000 0.426 393 L C 1.353 178.379 176.870 0.260 0.000 1.197 393 L CA 1.059 56.038 54.840 0.232 0.000 0.907 393 L CB -1.951 40.253 42.059 0.243 0.000 1.812 393 L HN 0.699 nan 8.230 nan 0.000 0.956 394 H N 0.451 119.646 119.070 0.209 0.000 2.603 394 H HA 0.644 5.200 4.556 0.000 0.000 0.370 394 H C 0.297 175.682 175.328 0.096 0.000 1.225 394 H CA -0.465 55.665 56.048 0.138 0.000 1.410 394 H CB 0.877 30.710 29.762 0.119 0.000 1.495 394 H HN 0.293 nan 8.280 nan 0.000 0.602 395 R N -0.055 120.444 120.500 -0.002 0.000 2.919 395 R HA 0.480 4.820 4.340 0.000 0.000 0.260 395 R C -0.134 176.258 176.300 0.153 0.000 1.067 395 R CA -0.253 55.821 56.100 -0.043 0.000 1.003 395 R CB 1.923 32.226 30.300 0.005 0.000 1.192 395 R HN 1.079 nan 8.270 nan 0.000 0.488 396 G N 1.178 110.041 108.800 0.105 0.000 2.725 396 G HA2 -0.195 3.765 3.960 0.000 0.000 0.220 396 G HA3 -0.195 3.765 3.960 0.000 0.000 0.220 396 G C -2.700 172.327 174.900 0.212 0.000 1.357 396 G CA -1.157 44.023 45.100 0.133 0.000 0.866 396 G HN 0.394 nan 8.290 nan 0.000 0.548 397 P HA 0.500 nan 4.420 nan 0.000 0.271 397 P C 0.208 177.534 177.300 0.044 0.000 1.216 397 P CA 0.713 63.877 63.100 0.107 0.000 0.771 397 P CB 0.986 32.715 31.700 0.047 0.000 0.864 398 A N 3.026 125.854 122.820 0.013 0.000 2.425 398 A HA 0.540 4.860 4.320 0.000 0.000 0.249 398 A C 1.443 178.930 177.584 -0.162 0.000 1.084 398 A CA 0.775 52.634 52.037 -0.297 0.000 0.781 398 A CB -0.783 18.143 19.000 -0.123 0.000 1.019 398 A HN 0.791 nan 8.150 nan 0.000 0.490 399 G N 0.627 109.312 108.800 -0.192 0.000 3.400 399 G HA2 -0.273 3.687 3.960 0.000 0.000 0.209 399 G HA3 -0.273 3.687 3.960 0.000 0.000 0.209 399 G C 1.110 175.961 174.900 -0.082 0.000 1.411 399 G CA 0.374 45.419 45.100 -0.092 0.000 0.917 399 G HN 0.771 nan 8.290 nan 0.000 0.570 400 L N 1.076 122.258 121.223 -0.068 0.000 2.083 400 L HA 0.117 4.457 4.340 0.000 0.000 0.209 400 L C 0.903 177.741 176.870 -0.053 0.000 1.083 400 L CA 1.056 55.870 54.840 -0.044 0.000 0.752 400 L CB -0.307 41.739 42.059 -0.020 0.000 0.899 400 L HN 0.314 nan 8.230 nan 0.000 0.433 401 N N -1.053 117.598 118.700 -0.082 0.000 2.399 401 N HA 0.180 4.920 4.740 0.000 0.000 0.295 401 N C 0.011 175.442 175.510 -0.131 0.000 1.048 401 N CA -0.062 52.952 53.050 -0.061 0.000 0.886 401 N CB 2.021 40.539 38.487 0.051 0.000 1.185 401 N HN -0.145 nan 8.380 nan 0.000 0.487 402 S N 0.175 115.841 115.700 -0.058 0.000 2.603 402 S HA 0.239 4.709 4.470 0.000 0.000 0.232 402 S C 1.272 175.909 174.600 0.061 0.000 1.016 402 S CA -0.027 58.148 58.200 -0.041 0.000 0.976 402 S CB 0.538 63.669 63.200 -0.115 0.000 0.921 402 S HN 0.918 nan 8.310 nan 0.000 0.516 403 G N 2.546 111.388 108.800 0.070 0.000 2.660 403 G HA2 -0.350 3.610 3.960 0.000 0.000 0.321 403 G HA3 -0.350 3.610 3.960 0.000 0.000 0.321 403 G C 0.244 175.076 174.900 -0.114 0.000 1.246 403 G CA 0.827 45.944 45.100 0.029 0.000 1.000 403 G HN 0.462 nan 8.290 nan 0.000 0.550 404 F N 1.455 121.491 119.950 0.142 0.000 2.693 404 F HA 0.425 4.952 4.527 0.000 0.000 0.303 404 F C 2.424 178.248 175.800 0.040 0.000 1.143 404 F CA 0.983 59.041 58.000 0.098 0.000 1.389 404 F CB 0.052 39.130 39.000 0.129 0.000 1.060 404 F HN 0.349 nan 8.300 nan 0.000 0.535 405 M N 0.013 119.601 119.600 -0.021 0.000 2.149 405 M HA -0.128 4.352 4.480 0.000 0.000 0.261 405 M C 2.355 178.523 176.300 -0.220 0.000 1.064 405 M CA 2.257 57.275 55.300 -0.469 0.000 1.102 405 M CB -0.451 31.630 32.600 -0.865 0.000 1.369 405 M HN 0.300 nan 8.290 nan 0.000 0.408 406 G N -0.743 107.988 108.800 -0.115 0.000 2.394 406 G HA2 -0.086 3.874 3.960 0.000 0.000 0.215 406 G HA3 -0.086 3.874 3.960 0.000 0.000 0.215 406 G C 1.493 176.397 174.900 0.006 0.000 1.165 406 G CA 0.725 45.787 45.100 -0.063 0.000 0.784 406 G HN 0.618 nan 8.290 nan 0.000 0.535 407 A N 0.002 122.864 122.820 0.070 0.000 1.933 407 A HA -0.097 4.223 4.320 0.000 0.000 0.218 407 A C 2.269 179.921 177.584 0.114 0.000 1.175 407 A CA 2.019 54.129 52.037 0.122 0.000 0.628 407 A CB -0.431 18.723 19.000 0.257 0.000 0.814 407 A HN 0.382 nan 8.150 nan 0.000 0.444 408 Q N 0.048 119.929 119.800 0.136 0.000 2.084 408 Q HA -0.122 4.218 4.340 0.000 0.000 0.202 408 Q C 2.064 178.115 176.000 0.084 0.000 0.978 408 Q CA 1.999 57.881 55.803 0.131 0.000 0.844 408 Q CB -0.250 28.618 28.738 0.218 0.000 0.898 408 Q HN 0.438 nan 8.270 nan 0.000 0.426 409 V N 0.430 120.373 119.914 0.049 0.000 2.548 409 V HA -0.186 3.934 4.120 0.000 0.000 0.249 409 V C 2.314 178.426 176.094 0.030 0.000 1.055 409 V CA 1.945 64.263 62.300 0.030 0.000 1.065 409 V CB -0.720 31.102 31.823 -0.002 0.000 0.681 409 V HN 0.367 nan 8.190 nan 0.000 0.462 410 T N 0.440 115.013 114.554 0.032 0.000 2.746 410 T HA -0.150 4.200 4.350 0.000 0.000 0.267 410 T C 2.088 176.811 174.700 0.037 0.000 1.039 410 T CA 1.570 63.688 62.100 0.030 0.000 1.142 410 T CB -0.354 68.532 68.868 0.031 0.000 0.866 410 T HN 0.570 nan 8.240 nan 0.000 0.444 411 A N 1.307 124.155 122.820 0.047 0.000 1.908 411 A HA -0.149 4.171 4.320 0.000 0.000 0.218 411 A C 2.549 180.162 177.584 0.048 0.000 1.181 411 A CA 2.186 54.252 52.037 0.050 0.000 0.627 411 A CB -1.278 17.755 19.000 0.055 0.000 0.818 411 A HN 0.481 nan 8.150 nan 0.000 0.445 412 T N 0.341 114.922 114.554 0.045 0.000 2.746 412 T HA -0.036 4.314 4.350 0.000 0.000 0.267 412 T C 2.193 176.911 174.700 0.031 0.000 1.039 412 T CA 1.609 63.732 62.100 0.039 0.000 1.142 412 T CB -0.455 68.436 68.868 0.039 0.000 0.866 412 T HN 0.611 nan 8.240 nan 0.000 0.444 413 A N 1.150 123.987 122.820 0.029 0.000 1.933 413 A HA 0.040 4.360 4.320 0.000 0.000 0.218 413 A C 2.301 179.900 177.584 0.026 0.000 1.175 413 A CA 1.099 53.150 52.037 0.023 0.000 0.628 413 A CB -0.778 18.233 19.000 0.019 0.000 0.814 413 A HN 0.476 nan 8.150 nan 0.000 0.444 414 L N -1.150 120.092 121.223 0.032 0.000 2.056 414 L HA -0.153 4.187 4.340 0.000 0.000 0.207 414 L C 2.559 179.452 176.870 0.038 0.000 1.078 414 L CA 1.176 56.038 54.840 0.037 0.000 0.749 414 L CB -0.547 41.540 42.059 0.046 0.000 0.901 414 L HN 0.474 nan 8.230 nan 0.000 0.433 415 L N 0.281 121.526 121.223 0.037 0.000 2.027 415 L HA -0.118 4.222 4.340 0.000 0.000 0.206 415 L C 2.645 179.525 176.870 0.016 0.000 1.074 415 L CA 1.981 56.837 54.840 0.027 0.000 0.745 415 L CB -0.721 41.353 42.059 0.026 0.000 0.898 415 L HN 0.132 nan 8.230 nan 0.000 0.433 416 A N -0.735 122.095 122.820 0.018 0.000 1.908 416 A HA -0.296 4.024 4.320 0.000 0.000 0.218 416 A C 2.336 179.928 177.584 0.013 0.000 1.181 416 A CA 1.937 53.982 52.037 0.013 0.000 0.627 416 A CB -0.803 18.206 19.000 0.014 0.000 0.818 416 A HN 0.645 nan 8.150 nan 0.000 0.445 417 E N -0.613 119.597 120.200 0.016 0.000 2.077 417 E HA -0.201 4.149 4.350 0.000 0.000 0.193 417 E C 2.055 178.664 176.600 0.016 0.000 0.989 417 E CA 1.410 57.820 56.400 0.016 0.000 0.800 417 E CB -0.220 29.492 29.700 0.019 0.000 0.746 417 E HN 0.676 nan 8.360 nan 0.000 0.452 418 M N 0.014 119.624 119.600 0.017 0.000 2.108 418 M HA -0.191 4.289 4.480 0.000 0.000 0.261 418 M C 2.331 178.634 176.300 0.005 0.000 1.066 418 M CA 1.625 56.932 55.300 0.013 0.000 1.107 418 M CB -0.248 32.356 32.600 0.007 0.000 1.356 418 M HN 0.026 nan 8.290 nan 0.000 0.406 419 R N 0.123 120.624 120.500 0.001 0.000 2.189 419 R HA -0.019 4.321 4.340 0.000 0.000 0.223 419 R C 2.191 178.495 176.300 0.006 0.000 1.092 419 R CA 1.054 57.153 56.100 -0.001 0.000 0.989 419 R CB -0.440 29.858 30.300 -0.003 0.000 0.876 419 R HN 0.379 nan 8.270 nan 0.000 0.457 420 A N 0.564 123.390 122.820 0.009 0.000 2.121 420 A HA -0.027 4.293 4.320 0.000 0.000 0.218 420 A C 0.763 178.356 177.584 0.015 0.000 1.154 420 A CA 0.885 52.928 52.037 0.011 0.000 0.679 420 A CB 0.104 19.110 19.000 0.010 0.000 0.795 420 A HN 0.096 nan 8.150 nan 0.000 0.458 421 T N 0.141 114.705 114.554 0.017 0.000 2.771 421 T HA 0.550 4.900 4.350 0.000 0.000 0.281 421 T C 0.456 175.176 174.700 0.033 0.000 0.982 421 T CA 0.062 62.177 62.100 0.025 0.000 0.978 421 T CB 1.510 70.392 68.868 0.024 0.000 0.930 421 T HN 0.365 nan 8.240 nan 0.000 0.447 422 G N 3.074 111.907 108.800 0.054 0.000 2.795 422 G HA2 0.664 4.624 3.960 0.000 0.000 0.267 422 G HA3 0.664 4.624 3.960 0.000 0.000 0.267 422 G C -2.652 172.297 174.900 0.081 0.000 1.362 422 G CA -1.600 43.537 45.100 0.062 0.000 1.048 422 G HN 0.433 nan 8.290 nan 0.000 0.547 423 P HA 0.268 nan 4.420 nan 0.000 0.265 423 P C 0.373 177.738 177.300 0.108 0.000 1.193 423 P CA 0.297 63.434 63.100 0.062 0.000 0.765 423 P CB 1.399 33.111 31.700 0.019 0.000 0.823 424 A N 2.426 125.312 122.820 0.111 0.000 1.975 424 A HA -0.071 4.249 4.320 0.000 0.000 0.215 424 A C 2.095 179.747 177.584 0.115 0.000 1.170 424 A CA 1.238 53.380 52.037 0.175 0.000 0.656 424 A CB -1.089 17.979 19.000 0.115 0.000 0.821 424 A HN 0.484 nan 8.150 nan 0.000 0.449 425 S N 0.587 116.307 115.700 0.033 0.000 2.402 425 S HA -0.202 4.268 4.470 0.000 0.000 0.233 425 S C 1.682 176.237 174.600 -0.075 0.000 1.030 425 S CA 1.633 59.830 58.200 -0.006 0.000 1.003 425 S CB -0.731 62.467 63.200 -0.004 0.000 0.813 425 S HN 0.806 nan 8.310 nan 0.000 0.477 426 I N -1.184 119.260 120.570 -0.210 0.000 3.444 426 I HA 0.048 4.218 4.170 0.000 0.000 0.287 426 I C 0.626 176.494 176.117 -0.415 0.000 1.302 426 I CA 0.943 62.054 61.300 -0.316 0.000 1.368 426 I CB -0.372 37.404 38.000 -0.372 0.000 1.048 426 I HN 0.168 nan 8.210 nan 0.000 0.487 427 H N 1.145 120.225 119.070 0.018 0.000 2.550 427 H HA 0.316 4.872 4.556 0.000 0.000 0.304 427 H C 0.608 175.948 175.328 0.019 0.000 1.086 427 H CA -0.260 55.799 56.048 0.017 0.000 1.089 427 H CB 0.092 29.864 29.762 0.017 0.000 1.528 427 H HN 0.297 nan 8.280 nan 0.000 0.539 428 S N 1.250 116.990 115.700 0.067 0.000 2.552 428 S HA 0.198 4.668 4.470 0.000 0.000 0.289 428 S C 0.287 174.924 174.600 0.062 0.000 1.304 428 S CA -0.193 58.043 58.200 0.060 0.000 1.063 428 S CB -0.004 63.217 63.200 0.035 0.000 0.848 428 S HN 0.304 nan 8.310 nan 0.000 0.499 429 I N 3.333 123.938 120.570 0.059 0.000 2.533 429 I HA 0.216 4.386 4.170 0.000 0.000 0.290 429 I C 0.041 176.184 176.117 0.044 0.000 1.056 429 I CA -0.631 60.700 61.300 0.051 0.000 1.057 429 I CB 2.135 40.166 38.000 0.051 0.000 1.240 429 I HN 0.567 nan 8.210 nan 0.000 0.423 430 S N 3.925 119.647 115.700 0.038 0.000 2.525 430 S HA 0.257 4.728 4.470 0.000 0.000 0.285 430 S C -0.203 174.418 174.600 0.035 0.000 1.283 430 S CA 0.434 58.656 58.200 0.036 0.000 1.072 430 S CB 0.237 63.455 63.200 0.031 0.000 0.867 430 S HN 0.764 nan 8.310 nan 0.000 0.492 431 T N 3.144 117.721 114.554 0.038 0.000 2.696 431 T HA 0.423 4.773 4.350 0.000 0.000 0.291 431 T C -0.335 174.389 174.700 0.039 0.000 1.095 431 T CA -0.124 61.998 62.100 0.037 0.000 1.026 431 T CB 0.830 69.722 68.868 0.039 0.000 1.390 431 T HN 0.911 nan 8.240 nan 0.000 0.513 432 N N 0.610 119.334 118.700 0.039 0.000 2.738 432 N HA -0.215 4.525 4.740 0.000 0.000 0.249 432 N C 0.294 175.826 175.510 0.036 0.000 1.047 432 N CA 0.775 53.850 53.050 0.042 0.000 0.707 432 N CB -1.180 37.337 38.487 0.051 0.000 0.937 432 N HN 1.538 nan 8.380 nan 0.000 0.545 433 A N -0.706 122.131 122.820 0.028 0.000 2.832 433 A HA 0.009 4.330 4.320 0.000 0.000 0.280 433 A C 1.282 178.881 177.584 0.026 0.000 1.464 433 A CA 2.027 54.079 52.037 0.024 0.000 0.804 433 A CB -2.329 16.683 19.000 0.021 0.000 1.020 433 A HN 2.258 nan 8.150 nan 0.000 0.563 434 A N -2.483 120.354 122.820 0.029 0.000 3.172 434 A HA -0.341 3.979 4.320 0.000 0.000 0.263 434 A C 1.308 178.912 177.584 0.033 0.000 1.215 434 A CA 1.995 54.049 52.037 0.029 0.000 1.065 434 A CB -2.522 16.492 19.000 0.024 0.000 1.148 434 A HN 2.219 nan 8.150 nan 0.000 0.904 435 N N -0.103 118.619 118.700 0.037 0.000 2.216 435 N HA -0.066 4.674 4.740 0.000 0.000 0.183 435 N C 0.998 176.537 175.510 0.049 0.000 1.017 435 N CA 1.759 54.834 53.050 0.042 0.000 0.861 435 N CB -0.123 38.393 38.487 0.047 0.000 0.986 435 N HN 0.741 nan 8.380 nan 0.000 0.428 436 Q N 0.520 120.349 119.800 0.049 0.000 3.008 436 Q HA 0.071 4.412 4.340 0.000 0.000 0.307 436 Q C -0.432 175.600 176.000 0.054 0.000 1.273 436 Q CA -0.294 55.545 55.803 0.059 0.000 1.091 436 Q CB 0.579 29.349 28.738 0.052 0.000 1.393 436 Q HN 0.497 nan 8.270 nan 0.000 0.521 437 D N -0.561 119.868 120.400 0.049 0.000 2.350 437 D HA -0.087 4.553 4.640 0.000 0.000 0.216 437 D C 0.676 177.001 176.300 0.041 0.000 0.968 437 D CA 0.459 54.483 54.000 0.040 0.000 0.894 437 D CB 0.087 40.907 40.800 0.033 0.000 0.909 437 D HN 0.194 nan 8.370 nan 0.000 0.520 438 V N -1.618 118.326 119.914 0.050 0.000 2.686 438 V HA 0.739 4.859 4.120 0.000 0.000 0.306 438 V C -0.387 175.745 176.094 0.063 0.000 1.065 438 V CA -1.225 61.103 62.300 0.047 0.000 0.894 438 V CB 1.812 33.657 31.823 0.037 0.000 1.004 438 V HN 0.109 nan 8.190 nan 0.000 0.424 439 V N 1.283 121.232 119.914 0.059 0.000 2.962 439 V HA 0.778 4.898 4.120 0.000 0.000 0.313 439 V C 1.084 177.214 176.094 0.060 0.000 1.099 439 V CA 0.300 62.642 62.300 0.070 0.000 0.971 439 V CB 1.538 33.401 31.823 0.067 0.000 1.028 439 V HN 1.286 nan 8.190 nan 0.000 0.430 440 S N 2.751 118.491 115.700 0.066 0.000 2.425 440 S HA 0.087 4.557 4.470 0.000 0.000 0.225 440 S C 1.147 175.777 174.600 0.050 0.000 1.024 440 S CA 1.100 59.331 58.200 0.051 0.000 0.951 440 S CB -0.896 62.337 63.200 0.055 0.000 0.796 440 S HN 1.391 nan 8.310 nan 0.000 0.498 441 L N 0.388 121.645 121.223 0.058 0.000 4.040 441 L HA -0.200 4.140 4.340 0.000 0.000 0.410 441 L C 1.508 178.409 176.870 0.053 0.000 1.187 441 L CA 0.003 54.879 54.840 0.059 0.000 0.956 441 L CB -2.290 39.813 42.059 0.074 0.000 2.022 441 L HN 0.529 nan 8.230 nan 0.000 0.897 442 G N -0.374 108.455 108.800 0.048 0.000 2.422 442 G HA2 -0.213 3.747 3.960 0.000 0.000 0.218 442 G HA3 -0.213 3.747 3.960 0.000 0.000 0.218 442 G C 1.285 176.209 174.900 0.041 0.000 1.146 442 G CA 1.399 46.524 45.100 0.042 0.000 0.769 442 G HN 0.474 nan 8.290 nan 0.000 0.547 443 T N 1.365 115.942 114.554 0.039 0.000 2.737 443 T HA -0.036 4.314 4.350 0.000 0.000 0.265 443 T C 2.381 177.103 174.700 0.037 0.000 1.038 443 T CA 0.995 63.115 62.100 0.034 0.000 1.144 443 T CB -0.151 68.733 68.868 0.027 0.000 0.866 443 T HN 0.264 nan 8.240 nan 0.000 0.434 444 I N 1.636 122.230 120.570 0.040 0.000 2.226 444 I HA -0.175 3.995 4.170 0.000 0.000 0.245 444 I C 3.008 179.155 176.117 0.050 0.000 1.100 444 I CA 1.115 62.441 61.300 0.042 0.000 1.374 444 I CB -0.534 37.493 38.000 0.047 0.000 1.057 444 I HN 0.217 nan 8.210 nan 0.000 0.413 445 A N 0.768 123.621 122.820 0.055 0.000 1.908 445 A HA -0.191 4.129 4.320 0.000 0.000 0.218 445 A C 2.540 180.161 177.584 0.061 0.000 1.181 445 A CA 1.983 54.056 52.037 0.060 0.000 0.627 445 A CB -0.874 18.160 19.000 0.058 0.000 0.818 445 A HN 0.437 nan 8.150 nan 0.000 0.445 446 A N -0.449 122.407 122.820 0.061 0.000 1.930 446 A HA -0.131 4.189 4.320 0.000 0.000 0.217 446 A C 2.243 179.865 177.584 0.063 0.000 1.175 446 A CA 1.469 53.548 52.037 0.071 0.000 0.627 446 A CB -0.418 18.623 19.000 0.068 0.000 0.815 446 A HN 0.552 nan 8.150 nan 0.000 0.443 447 R N -0.573 119.957 120.500 0.051 0.000 2.092 447 R HA 0.033 4.373 4.340 0.000 0.000 0.231 447 R C 1.976 178.304 176.300 0.047 0.000 1.119 447 R CA 1.261 57.388 56.100 0.046 0.000 0.970 447 R CB -0.428 29.892 30.300 0.035 0.000 0.864 447 R HN 0.494 nan 8.270 nan 0.000 0.440 448 L N -0.267 120.984 121.223 0.047 0.000 2.093 448 L HA -0.212 4.128 4.340 0.000 0.000 0.208 448 L C 2.741 179.640 176.870 0.048 0.000 1.085 448 L CA 0.753 55.620 54.840 0.045 0.000 0.755 448 L CB -0.490 41.596 42.059 0.046 0.000 0.904 448 L HN 0.373 nan 8.230 nan 0.000 0.435 449 C N 0.354 119.685 119.300 0.052 0.000 2.446 449 C HA -0.158 4.302 4.460 0.000 0.000 0.277 449 C C 3.100 178.129 174.990 0.064 0.000 1.275 449 C CA 0.892 59.940 59.018 0.050 0.000 1.727 449 C CB -0.541 27.228 27.740 0.050 0.000 2.010 449 C HN 0.500 nan 8.230 nan 0.000 0.486 450 R N 1.247 121.788 120.500 0.069 0.000 2.091 450 R HA -0.093 4.247 4.340 0.000 0.000 0.238 450 R C 2.112 178.459 176.300 0.079 0.000 1.136 450 R CA 2.054 58.202 56.100 0.079 0.000 0.959 450 R CB -0.762 29.582 30.300 0.074 0.000 0.856 450 R HN 0.536 nan 8.270 nan 0.000 0.437 451 E N 0.711 120.950 120.200 0.065 0.000 2.077 451 E HA -0.176 4.175 4.350 0.000 0.000 0.193 451 E C 1.852 178.495 176.600 0.072 0.000 0.989 451 E CA 1.374 57.810 56.400 0.061 0.000 0.800 451 E CB -0.110 29.617 29.700 0.046 0.000 0.746 451 E HN 0.443 nan 8.360 nan 0.000 0.452 452 K N 0.307 120.749 120.400 0.070 0.000 2.097 452 K HA -0.021 4.299 4.320 0.000 0.000 0.205 452 K C 2.302 178.988 176.600 0.144 0.000 1.050 452 K CA 0.718 57.050 56.287 0.076 0.000 0.938 452 K CB -0.107 32.415 32.500 0.036 0.000 0.718 452 K HN 0.091 nan 8.250 nan 0.000 0.442 453 I N 1.514 122.182 120.570 0.163 0.000 2.226 453 I HA -0.284 3.886 4.170 0.000 0.000 0.245 453 I C 1.580 177.821 176.117 0.207 0.000 1.100 453 I CA 1.190 62.643 61.300 0.255 0.000 1.374 453 I CB -0.234 37.886 38.000 0.199 0.000 1.057 453 I HN 0.148 nan 8.210 nan 0.000 0.413 454 D N 0.525 121.004 120.400 0.132 0.000 2.144 454 D HA -0.121 4.519 4.640 0.000 0.000 0.200 454 D C 2.318 178.674 176.300 0.093 0.000 0.978 454 D CA 0.863 54.917 54.000 0.089 0.000 0.833 454 D CB -0.208 40.633 40.800 0.068 0.000 0.961 454 D HN 0.205 nan 8.370 nan 0.000 0.470 455 R N -0.035 120.536 120.500 0.118 0.000 2.092 455 R HA -0.108 4.232 4.340 0.000 0.000 0.231 455 R C 2.114 178.524 176.300 0.182 0.000 1.119 455 R CA 0.430 56.599 56.100 0.114 0.000 0.970 455 R CB -1.014 29.343 30.300 0.096 0.000 0.864 455 R HN 0.337 nan 8.270 nan 0.000 0.440 456 W N 1.902 123.203 121.300 0.001 0.000 2.358 456 W HA -0.076 4.584 4.660 0.000 0.000 0.303 456 W C 2.077 178.588 176.519 -0.015 0.000 1.208 456 W CA 1.374 58.719 57.345 0.001 0.000 1.274 456 W CB -0.583 28.884 29.460 0.013 0.000 1.138 456 W HN 0.132 nan 8.180 nan 0.000 0.515 457 A N 0.125 122.950 122.820 0.007 0.000 1.933 457 A HA -0.210 4.110 4.320 0.000 0.000 0.218 457 A C 1.854 179.352 177.584 -0.144 0.000 1.175 457 A CA 1.902 53.825 52.037 -0.190 0.000 0.628 457 A CB -0.697 18.218 19.000 -0.142 0.000 0.814 457 A HN 0.465 nan 8.150 nan 0.000 0.444 458 E N -0.313 119.860 120.200 -0.044 0.000 2.107 458 E HA -0.080 4.270 4.350 0.000 0.000 0.191 458 E C 1.819 178.401 176.600 -0.030 0.000 0.982 458 E CA 1.043 57.418 56.400 -0.042 0.000 0.809 458 E CB -0.240 29.459 29.700 -0.001 0.000 0.756 458 E HN 0.694 nan 8.360 nan 0.000 0.459 459 I N 0.926 121.514 120.570 0.030 0.000 2.226 459 I HA -0.268 3.902 4.170 0.000 0.000 0.245 459 I C 2.233 178.355 176.117 0.009 0.000 1.100 459 I CA 0.996 62.330 61.300 0.057 0.000 1.374 459 I CB -0.161 37.930 38.000 0.152 0.000 1.057 459 I HN 0.113 nan 8.210 nan 0.000 0.413 460 L N 0.445 121.639 121.223 -0.048 0.000 2.141 460 L HA -0.170 4.170 4.340 0.000 0.000 0.209 460 L C 2.824 179.579 176.870 -0.191 0.000 1.094 460 L CA 1.141 55.908 54.840 -0.122 0.000 0.763 460 L CB -0.643 41.251 42.059 -0.275 0.000 0.908 460 L HN 0.232 nan 8.230 nan 0.000 0.437 461 A N 0.296 122.976 122.820 -0.234 0.000 1.933 461 A HA -0.172 4.148 4.320 0.000 0.000 0.218 461 A C 2.210 179.673 177.584 -0.202 0.000 1.175 461 A CA 1.457 53.324 52.037 -0.283 0.000 0.628 461 A CB -0.583 18.259 19.000 -0.264 0.000 0.814 461 A HN 0.353 nan 8.150 nan 0.000 0.444 462 I N -0.880 119.621 120.570 -0.117 0.000 2.252 462 I HA -0.206 3.964 4.170 0.000 0.000 0.245 462 I C 2.417 178.466 176.117 -0.113 0.000 1.102 462 I CA 1.096 62.354 61.300 -0.071 0.000 1.385 462 I CB -0.283 37.711 38.000 -0.010 0.000 1.064 462 I HN 0.388 nan 8.210 nan 0.000 0.414 463 L N 1.419 122.591 121.223 -0.086 0.000 2.042 463 L HA -0.160 4.180 4.340 0.000 0.000 0.210 463 L C 2.554 179.365 176.870 -0.099 0.000 1.076 463 L CA 2.164 56.958 54.840 -0.077 0.000 0.749 463 L CB -0.925 41.128 42.059 -0.011 0.000 0.893 463 L HN 0.189 nan 8.230 nan 0.000 0.432 464 A N -0.552 122.207 122.820 -0.102 0.000 1.908 464 A HA -0.175 4.145 4.320 0.000 0.000 0.218 464 A C 2.275 179.794 177.584 -0.109 0.000 1.181 464 A CA 2.064 54.054 52.037 -0.079 0.000 0.627 464 A CB -0.874 18.034 19.000 -0.152 0.000 0.818 464 A HN 0.522 nan 8.150 nan 0.000 0.445 465 L N -1.090 120.035 121.223 -0.164 0.000 2.109 465 L HA -0.197 4.143 4.340 0.000 0.000 0.207 465 L C 2.683 179.385 176.870 -0.281 0.000 1.086 465 L CA 0.986 55.757 54.840 -0.116 0.000 0.760 465 L CB -0.639 41.421 42.059 0.002 0.000 0.910 465 L HN 0.476 nan 8.230 nan 0.000 0.437 466 C N -0.137 118.838 119.300 -0.542 0.000 2.429 466 C HA -0.134 4.326 4.460 0.000 0.000 0.277 466 C C 2.748 177.531 174.990 -0.346 0.000 1.262 466 C CA 0.503 59.035 59.018 -0.811 0.000 1.733 466 C CB -0.718 26.666 27.740 -0.593 0.000 2.010 466 C HN 0.428 nan 8.230 nan 0.000 0.483 467 L N 0.868 121.984 121.223 -0.179 0.000 2.093 467 L HA -0.124 4.216 4.340 0.000 0.000 0.208 467 L C 2.855 179.711 176.870 -0.022 0.000 1.085 467 L CA 1.438 56.238 54.840 -0.067 0.000 0.755 467 L CB -0.669 41.383 42.059 -0.012 0.000 0.904 467 L HN 0.334 nan 8.230 nan 0.000 0.435 468 A N -0.331 122.483 122.820 -0.009 0.000 1.902 468 A HA -0.297 4.023 4.320 0.000 0.000 0.217 468 A C 2.204 179.820 177.584 0.054 0.000 1.181 468 A CA 2.009 54.072 52.037 0.043 0.000 0.623 468 A CB -0.513 18.531 19.000 0.073 0.000 0.818 468 A HN 0.431 nan 8.150 nan 0.000 0.443 469 Q N -0.357 119.477 119.800 0.057 0.000 2.046 469 Q HA -0.000 4.340 4.340 0.000 0.000 0.200 469 Q C 2.098 178.133 176.000 0.057 0.000 0.975 469 Q CA 2.087 57.956 55.803 0.111 0.000 0.836 469 Q CB -0.528 28.366 28.738 0.259 0.000 0.896 469 Q HN 0.536 nan 8.270 nan 0.000 0.428 470 A N 0.612 123.435 122.820 0.006 0.000 1.908 470 A HA -0.154 4.166 4.320 0.000 0.000 0.218 470 A C 2.339 179.930 177.584 0.012 0.000 1.181 470 A CA 2.033 54.070 52.037 -0.000 0.000 0.627 470 A CB -1.368 17.615 19.000 -0.027 0.000 0.818 470 A HN 0.575 nan 8.150 nan 0.000 0.445 471 A N -0.231 122.600 122.820 0.018 0.000 1.908 471 A HA -0.206 4.114 4.320 0.000 0.000 0.218 471 A C 1.921 179.521 177.584 0.027 0.000 1.181 471 A CA 1.770 53.822 52.037 0.025 0.000 0.627 471 A CB -0.538 18.482 19.000 0.033 0.000 0.818 471 A HN 0.677 nan 8.150 nan 0.000 0.445 472 E N -0.330 119.890 120.200 0.034 0.000 2.107 472 E HA -0.055 4.296 4.350 0.000 0.000 0.191 472 E C 1.924 178.539 176.600 0.023 0.000 0.982 472 E CA 0.825 57.245 56.400 0.033 0.000 0.809 472 E CB -0.238 29.488 29.700 0.044 0.000 0.756 472 E HN 0.614 nan 8.360 nan 0.000 0.459 473 L N 0.533 121.769 121.223 0.021 0.000 2.056 473 L HA -0.158 4.182 4.340 0.000 0.000 0.207 473 L C 2.651 179.522 176.870 0.003 0.000 1.078 473 L CA 0.946 55.790 54.840 0.007 0.000 0.749 473 L CB -0.164 41.895 42.059 0.001 0.000 0.901 473 L HN 0.019 nan 8.230 nan 0.000 0.433 474 R N -0.231 120.272 120.500 0.006 0.000 2.062 474 R HA -0.056 4.284 4.340 0.000 0.000 0.226 474 R C 1.857 178.162 176.300 0.008 0.000 1.125 474 R CA 1.747 57.849 56.100 0.005 0.000 0.966 474 R CB -0.451 29.853 30.300 0.007 0.000 0.861 474 R HN 0.364 nan 8.270 nan 0.000 0.433 475 C N -0.029 119.279 119.300 0.013 0.000 3.038 475 C HA 0.653 5.113 4.460 0.000 0.000 0.279 475 C C 0.660 175.659 174.990 0.015 0.000 1.276 475 C CA -0.321 58.705 59.018 0.014 0.000 1.697 475 C CB -0.779 26.971 27.740 0.018 0.000 2.032 475 C HN 0.734 nan 8.230 nan 0.000 0.636 476 G N 1.668 110.476 108.800 0.015 0.000 2.730 476 G HA2 -0.139 3.821 3.960 0.000 0.000 0.686 476 G HA3 -0.139 3.821 3.960 0.000 0.000 0.686 476 G C 0.698 175.610 174.900 0.020 0.000 1.343 476 G CA 0.071 45.181 45.100 0.015 0.000 0.826 476 G HN 0.778 nan 8.290 nan 0.000 0.582 477 S N -0.664 115.048 115.700 0.020 0.000 2.440 477 S HA 0.023 4.493 4.470 0.000 0.000 0.238 477 S C 2.368 176.982 174.600 0.023 0.000 1.010 477 S CA 1.958 60.172 58.200 0.024 0.000 0.972 477 S CB -0.213 63.001 63.200 0.022 0.000 0.774 477 S HN 2.184 nan 8.310 nan 0.000 0.501 478 G N 0.707 109.519 108.800 0.020 0.000 2.813 478 G HA2 0.370 4.330 3.960 0.000 0.000 0.209 478 G HA3 0.370 4.330 3.960 0.000 0.000 0.209 478 G C 0.529 175.441 174.900 0.020 0.000 1.150 478 G CA -0.094 45.017 45.100 0.019 0.000 0.785 478 G HN 0.605 nan 8.290 nan 0.000 0.535 479 L N 1.035 122.272 121.223 0.022 0.000 3.660 479 L HA -0.140 4.200 4.340 0.000 0.000 0.440 479 L C -0.956 175.926 176.870 0.020 0.000 1.262 479 L CA -0.137 54.717 54.840 0.023 0.000 0.837 479 L CB -1.686 40.389 42.059 0.027 0.000 1.689 479 L HN 0.211 nan 8.230 nan 0.000 0.890 480 D N 1.432 121.842 120.400 0.017 0.000 2.401 480 D HA 0.313 4.953 4.640 0.000 0.000 0.254 480 D C 1.368 177.678 176.300 0.016 0.000 1.192 480 D CA 1.315 55.324 54.000 0.015 0.000 0.885 480 D CB 1.328 42.135 40.800 0.013 0.000 1.147 480 D HN 0.544 nan 8.370 nan 0.000 0.478 481 G N 1.433 110.243 108.800 0.016 0.000 2.217 481 G HA2 -0.276 3.684 3.960 0.000 0.000 0.246 481 G HA3 -0.276 3.684 3.960 0.000 0.000 0.246 481 G C 0.450 175.362 174.900 0.020 0.000 0.990 481 G CA 0.039 45.149 45.100 0.017 0.000 0.627 481 G HN 0.518 nan 8.290 nan 0.000 0.522 482 V N 2.635 122.562 119.914 0.022 0.000 2.715 482 V HA 0.491 4.611 4.120 0.000 0.000 0.299 482 V C 1.498 177.607 176.094 0.026 0.000 1.054 482 V CA 0.206 62.522 62.300 0.027 0.000 1.077 482 V CB 1.403 33.244 31.823 0.029 0.000 0.972 482 V HN 1.073 nan 8.190 nan 0.000 0.484 483 S N 4.825 120.543 115.700 0.030 0.000 2.576 483 S HA 0.137 4.607 4.470 0.000 0.000 0.272 483 S C -1.723 172.890 174.600 0.022 0.000 1.352 483 S CA -0.646 57.570 58.200 0.027 0.000 1.021 483 S CB 0.538 63.759 63.200 0.036 0.000 0.887 483 S HN 0.573 nan 8.310 nan 0.000 0.542 484 P HA -0.065 nan 4.420 nan 0.000 0.215 484 P C 1.681 178.986 177.300 0.008 0.000 1.157 484 P CA 2.000 65.107 63.100 0.012 0.000 0.868 484 P CB -0.266 31.439 31.700 0.008 0.000 0.788 485 A N -0.319 122.503 122.820 0.004 0.000 1.933 485 A HA -0.095 4.225 4.320 0.000 0.000 0.218 485 A C 2.474 180.057 177.584 -0.002 0.000 1.175 485 A CA 2.109 54.141 52.037 -0.009 0.000 0.628 485 A CB -1.875 17.115 19.000 -0.018 0.000 0.814 485 A HN 0.284 nan 8.150 nan 0.000 0.444 486 G N -0.471 108.338 108.800 0.015 0.000 2.402 486 G HA2 -0.203 3.757 3.960 0.000 0.000 0.216 486 G HA3 -0.203 3.757 3.960 0.000 0.000 0.216 486 G C 1.685 176.605 174.900 0.032 0.000 1.162 486 G CA 1.055 46.172 45.100 0.028 0.000 0.777 486 G HN 0.561 nan 8.290 nan 0.000 0.539 487 K N 0.206 120.622 120.400 0.028 0.000 2.026 487 K HA -0.061 4.259 4.320 0.000 0.000 0.208 487 K C 2.446 179.065 176.600 0.032 0.000 1.048 487 K CA 1.330 57.635 56.287 0.030 0.000 0.929 487 K CB -0.144 32.370 32.500 0.024 0.000 0.713 487 K HN 0.247 nan 8.250 nan 0.000 0.439 488 K N 1.362 121.776 120.400 0.023 0.000 2.097 488 K HA -0.147 4.173 4.320 0.000 0.000 0.206 488 K C 2.154 178.776 176.600 0.037 0.000 1.049 488 K CA 1.028 57.329 56.287 0.023 0.000 0.933 488 K CB -0.083 32.421 32.500 0.007 0.000 0.717 488 K HN 0.115 nan 8.250 nan 0.000 0.442 489 L N 0.617 121.860 121.223 0.034 0.000 2.027 489 L HA -0.157 4.183 4.340 0.000 0.000 0.206 489 L C 2.066 179.003 176.870 0.111 0.000 1.074 489 L CA 1.048 55.927 54.840 0.065 0.000 0.745 489 L CB -0.125 41.958 42.059 0.039 0.000 0.898 489 L HN 0.009 nan 8.230 nan 0.000 0.433 490 V N -0.024 119.943 119.914 0.088 0.000 2.358 490 V HA -0.297 3.823 4.120 0.000 0.000 0.246 490 V C 2.475 178.623 176.094 0.091 0.000 1.047 490 V CA 1.986 64.342 62.300 0.093 0.000 1.035 490 V CB -0.638 31.227 31.823 0.071 0.000 0.658 490 V HN 0.547 nan 8.190 nan 0.000 0.452 491 Q N 0.022 119.865 119.800 0.071 0.000 2.096 491 Q HA -0.193 4.148 4.340 0.000 0.000 0.204 491 Q C 2.431 178.472 176.000 0.070 0.000 0.982 491 Q CA 1.854 57.693 55.803 0.060 0.000 0.850 491 Q CB -0.462 28.302 28.738 0.044 0.000 0.901 491 Q HN 0.669 nan 8.270 nan 0.000 0.422 492 A N 0.880 123.750 122.820 0.083 0.000 1.902 492 A HA -0.153 4.167 4.320 0.000 0.000 0.217 492 A C 2.079 179.736 177.584 0.121 0.000 1.181 492 A CA 1.077 53.170 52.037 0.093 0.000 0.623 492 A CB -0.634 18.435 19.000 0.116 0.000 0.818 492 A HN 0.280 nan 8.150 nan 0.000 0.443 493 L N -1.117 120.206 121.223 0.168 0.000 2.056 493 L HA -0.140 4.200 4.340 0.000 0.000 0.207 493 L C 2.668 179.683 176.870 0.243 0.000 1.078 493 L CA 0.939 55.925 54.840 0.243 0.000 0.749 493 L CB -0.419 41.764 42.059 0.207 0.000 0.901 493 L HN 0.264 nan 8.230 nan 0.000 0.433 494 R N 0.428 121.018 120.500 0.150 0.000 2.293 494 R HA -0.126 4.214 4.340 0.000 0.000 0.219 494 R C 1.828 178.152 176.300 0.039 0.000 1.091 494 R CA 0.742 56.906 56.100 0.107 0.000 1.004 494 R CB -0.382 29.967 30.300 0.081 0.000 0.865 494 R HN 0.561 nan 8.270 nan 0.000 0.469 495 E N 0.091 120.302 120.200 0.019 0.000 2.204 495 E HA -0.148 4.202 4.350 0.000 0.000 0.194 495 E C 1.351 177.878 176.600 -0.122 0.000 0.989 495 E CA 0.750 57.129 56.400 -0.035 0.000 0.824 495 E CB 0.238 29.922 29.700 -0.026 0.000 0.756 495 E HN 0.254 nan 8.360 nan 0.000 0.477 496 Q N -1.086 118.586 119.800 -0.213 0.000 2.288 496 Q HA 0.148 4.488 4.340 0.000 0.000 0.256 496 Q C -0.291 175.210 176.000 -0.831 0.000 0.835 496 Q CA 0.306 55.776 55.803 -0.556 0.000 0.958 496 Q CB 0.821 29.080 28.738 -0.799 0.000 1.125 496 Q HN 0.121 nan 8.270 nan 0.000 0.513 497 F N 2.243 122.185 119.950 -0.013 0.000 2.430 497 F HA 0.434 4.961 4.527 0.000 0.000 0.362 497 F C -2.163 173.650 175.800 0.022 0.000 1.103 497 F CA -2.601 55.402 58.000 0.005 0.000 1.045 497 F CB 1.369 40.375 39.000 0.011 0.000 1.276 497 F HN -0.204 nan 8.300 nan 0.000 0.444 498 P HA 0.125 nan 4.420 nan 0.000 0.272 498 P C -2.311 175.058 177.300 0.115 0.000 1.230 498 P CA -0.901 62.249 63.100 0.083 0.000 0.788 498 P CB 0.027 31.751 31.700 0.039 0.000 0.949 499 P HA 0.043 nan 4.420 nan 0.000 0.271 499 P C -0.679 176.667 177.300 0.077 0.000 1.233 499 P CA -0.090 63.073 63.100 0.105 0.000 0.789 499 P CB 0.497 32.245 31.700 0.080 0.000 0.951 500 L N 1.761 123.031 121.223 0.077 0.000 2.397 500 L HA 0.165 4.505 4.340 0.000 0.000 0.263 500 L C 1.318 178.191 176.870 0.004 0.000 1.136 500 L CA 0.373 55.206 54.840 -0.011 0.000 1.019 500 L CB -0.708 41.254 42.059 -0.161 0.000 1.352 500 L HN 0.299 nan 8.230 nan 0.000 0.420 501 E N 0.797 121.003 120.200 0.010 0.000 2.216 501 E HA 0.005 4.355 4.350 0.000 0.000 0.192 501 E C 0.250 176.859 176.600 0.015 0.000 0.988 501 E CA 0.549 56.959 56.400 0.017 0.000 0.834 501 E CB 0.362 30.072 29.700 0.017 0.000 0.772 501 E HN 0.561 nan 8.360 nan 0.000 0.479 502 T N 0.191 114.743 114.554 -0.004 0.000 2.894 502 T HA 0.109 4.459 4.350 0.000 0.000 0.309 502 T C -1.800 172.876 174.700 -0.039 0.000 1.208 502 T CA -1.002 61.094 62.100 -0.006 0.000 1.016 502 T CB 1.370 70.237 68.868 -0.001 0.000 1.192 502 T HN -0.213 nan 8.240 nan 0.000 0.491 503 D N 2.953 123.327 120.400 -0.043 0.000 2.533 503 D HA 0.304 4.944 4.640 0.000 0.000 0.236 503 D C 0.579 176.838 176.300 -0.068 0.000 1.137 503 D CA 0.632 54.587 54.000 -0.075 0.000 0.867 503 D CB 0.371 41.133 40.800 -0.063 0.000 1.170 503 D HN 0.656 nan 8.370 nan 0.000 0.474 504 R N 0.558 121.006 120.500 -0.088 0.000 2.710 504 R HA 0.641 4.981 4.340 0.000 0.000 0.270 504 R C -3.130 173.133 176.300 -0.061 0.000 1.021 504 R CA -1.741 54.323 56.100 -0.060 0.000 0.889 504 R CB 0.304 30.577 30.300 -0.045 0.000 1.243 504 R HN -0.008 nan 8.270 nan 0.000 0.464 505 P HA 0.133 nan 4.420 nan 0.000 0.267 505 P C -0.310 176.981 177.300 -0.014 0.000 1.205 505 P CA -0.233 62.851 63.100 -0.025 0.000 0.765 505 P CB 0.596 32.288 31.700 -0.013 0.000 0.828 506 L N 1.653 122.869 121.223 -0.011 0.000 2.731 506 L HA 0.176 4.516 4.340 0.000 0.000 0.240 506 L C 2.308 179.195 176.870 0.029 0.000 1.120 506 L CA 0.382 55.231 54.840 0.015 0.000 0.913 506 L CB -0.320 41.748 42.059 0.014 0.000 1.213 506 L HN 0.530 nan 8.230 nan 0.000 0.515 507 G N 0.256 109.067 108.800 0.019 0.000 2.529 507 G HA2 -0.311 3.649 3.960 0.000 0.000 0.219 507 G HA3 -0.311 3.649 3.960 0.000 0.000 0.219 507 G C 1.404 176.320 174.900 0.027 0.000 1.177 507 G CA 0.767 45.879 45.100 0.019 0.000 0.773 507 G HN 0.379 nan 8.290 nan 0.000 0.573 508 Q N -0.164 119.656 119.800 0.035 0.000 2.167 508 Q HA -0.063 4.277 4.340 0.000 0.000 0.202 508 Q C 2.513 178.564 176.000 0.084 0.000 0.970 508 Q CA 1.212 57.043 55.803 0.047 0.000 0.855 508 Q CB -0.078 28.685 28.738 0.041 0.000 0.911 508 Q HN 0.628 nan 8.270 nan 0.000 0.438 509 E N 0.512 120.778 120.200 0.110 0.000 2.106 509 E HA -0.135 4.215 4.350 0.000 0.000 0.192 509 E C 1.924 178.547 176.600 0.039 0.000 0.984 509 E CA 0.692 57.215 56.400 0.205 0.000 0.806 509 E CB 0.019 29.868 29.700 0.247 0.000 0.750 509 E HN 0.335 nan 8.360 nan 0.000 0.458 510 I N 1.067 121.631 120.570 -0.010 0.000 2.226 510 I HA -0.272 3.898 4.170 0.000 0.000 0.245 510 I C 2.517 178.599 176.117 -0.057 0.000 1.100 510 I CA 0.980 62.238 61.300 -0.069 0.000 1.374 510 I CB -0.266 37.718 38.000 -0.026 0.000 1.057 510 I HN 0.090 nan 8.210 nan 0.000 0.413 511 A N 0.654 123.471 122.820 -0.006 0.000 1.902 511 A HA -0.140 4.180 4.320 0.000 0.000 0.217 511 A C 2.529 180.124 177.584 0.019 0.000 1.181 511 A CA 1.813 53.852 52.037 0.004 0.000 0.623 511 A CB -0.794 18.218 19.000 0.019 0.000 0.818 511 A HN 0.430 nan 8.150 nan 0.000 0.443 512 A N -0.558 122.301 122.820 0.065 0.000 1.873 512 A HA -0.007 4.314 4.320 0.000 0.000 0.215 512 A C 2.112 179.766 177.584 0.117 0.000 1.186 512 A CA 1.700 53.811 52.037 0.123 0.000 0.616 512 A CB -0.635 18.498 19.000 0.221 0.000 0.823 512 A HN 0.633 nan 8.150 nan 0.000 0.442 513 L N -0.108 121.120 121.223 0.008 0.000 2.046 513 L HA -0.061 4.279 4.340 0.000 0.000 0.208 513 L C 2.667 179.440 176.870 -0.161 0.000 1.077 513 L CA 2.094 56.827 54.840 -0.179 0.000 0.747 513 L CB -0.940 40.748 42.059 -0.618 0.000 0.896 513 L HN 0.362 nan 8.230 nan 0.000 0.432 514 A N -1.618 121.113 122.820 -0.149 0.000 1.908 514 A HA -0.235 4.085 4.320 0.000 0.000 0.218 514 A C 2.268 179.794 177.584 -0.097 0.000 1.181 514 A CA 2.378 54.325 52.037 -0.151 0.000 0.627 514 A CB -1.242 17.701 19.000 -0.095 0.000 0.818 514 A HN 0.501 nan 8.150 nan 0.000 0.445 515 T N -1.433 113.108 114.554 -0.023 0.000 2.759 515 T HA -0.178 4.172 4.350 0.000 0.000 0.269 515 T C 1.845 176.557 174.700 0.020 0.000 1.042 515 T CA 1.950 64.058 62.100 0.013 0.000 1.140 515 T CB -0.392 68.503 68.868 0.045 0.000 0.864 515 T HN 0.799 nan 8.240 nan 0.000 0.455 516 H N 1.085 120.114 119.070 -0.068 0.000 2.326 516 H HA 0.120 4.676 4.556 0.000 0.000 0.301 516 H C 2.031 177.285 175.328 -0.123 0.000 1.081 516 H CA 1.197 57.209 56.048 -0.059 0.000 1.334 516 H CB -0.487 29.261 29.762 -0.024 0.000 1.385 516 H HN 0.227 nan 8.280 nan 0.000 0.504 517 L N 0.012 121.054 121.223 -0.301 0.000 2.081 517 L HA -0.197 4.143 4.340 0.000 0.000 0.212 517 L C 2.353 179.072 176.870 -0.251 0.000 1.080 517 L CA 1.112 55.629 54.840 -0.538 0.000 0.754 517 L CB -0.559 41.004 42.059 -0.826 0.000 0.893 517 L HN 0.342 nan 8.230 nan 0.000 0.433 518 L N -0.812 120.309 121.223 -0.169 0.000 2.275 518 L HA -0.172 4.168 4.340 0.000 0.000 0.215 518 L C 2.255 179.122 176.870 -0.005 0.000 1.119 518 L CA 1.053 55.865 54.840 -0.047 0.000 0.790 518 L CB -0.208 41.851 42.059 0.001 0.000 0.919 518 L HN 0.391 nan 8.230 nan 0.000 0.443 519 Q N -1.605 118.103 119.800 -0.153 0.000 2.316 519 Q HA 0.185 4.525 4.340 0.000 0.000 0.235 519 Q C 0.021 175.628 176.000 -0.654 0.000 0.863 519 Q CA 0.074 55.760 55.803 -0.194 0.000 0.939 519 Q CB 0.998 29.711 28.738 -0.042 0.000 1.108 519 Q HN 0.432 nan 8.270 nan 0.000 0.522 520 Q N 0.044 119.423 119.800 -0.702 0.000 2.359 520 Q HA 0.464 4.804 4.340 0.000 0.000 0.274 520 Q C -1.227 174.642 176.000 -0.217 0.000 1.074 520 Q CA -0.401 55.033 55.803 -0.615 0.000 0.810 520 Q CB 2.687 31.161 28.738 -0.439 0.000 1.342 520 Q HN -0.049 nan 8.270 nan 0.000 0.427 521 S N 2.186 117.803 115.700 -0.139 0.000 2.687 521 S HA 0.564 5.034 4.470 0.000 0.000 0.283 521 S C -2.366 172.018 174.600 -0.361 0.000 1.170 521 S CA -1.101 56.989 58.200 -0.183 0.000 1.008 521 S CB 0.802 63.955 63.200 -0.078 0.000 1.026 521 S HN 0.426 nan 8.310 nan 0.000 0.541 522 P HA 0.367 nan 4.420 nan 0.000 0.287 522 P C -0.840 176.260 177.300 -0.332 0.000 1.294 522 P CA -0.224 62.476 63.100 -0.667 0.000 0.776 522 P CB 0.580 31.593 31.700 -1.146 0.000 0.889 523 V N 0.000 119.814 119.914 -0.167 0.000 2.409 523 V HA 0.000 4.120 4.120 0.000 0.000 0.244 523 V CA 0.000 62.238 62.300 -0.103 0.000 1.235 523 V CB 0.000 31.776 31.823 -0.078 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556