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 1jrp_1_F DATA FIRST_RESID 2 DATA SEQUENCE SVGKPLPHDS ARAHVTGQAR YLDDLPCPAN TLHLAFGLST EASAAITGLD DATA SEQUENCE LEPVRESPGV IAVFTAADLP HDNDASPAPS PEPVLATGEV HFVGQPIFLV DATA SEQUENCE AATSHRAARI AARKARITYA PRPAILTLDQ ALAADSRFEG GPVIWARGDV DATA SEQUENCE ETALAGAAHL AEGCFEIGGQ EHFYLEGQAA LALPAEGGVV IHCSSQHPSE DATA SEQUENCE IQHKVAHALG LAFHDVRVEM RRMGGGFGGK ESQGNHLAIA CAVAARATGR DATA SEQUENCE PCKMRYDRDD DMVITGKRHD FRIRYRIGAD ASGKLLGADF VHLARCGWSA DATA SEQUENCE DLSLPVCDRA MLHADGSYFV PALRIESHRL RTNTQSNTAF RGFGGPQGAL DATA SEQUENCE GMERAIEHLA RGMGRDPAEL RALNFYDPPE XXXXXXXXXX XXXXXXKKTQ DATA SEQUENCE TTHYGQEVAD CVLGELVTRL QKSANFTTRR AEIAAWNSTN RTLARGIALS DATA SEQUENCE PVKFGISFTL THLNQAGALV QIYTDGSVAL NHGGTEMGQG LHAKMVQVAA DATA SEQUENCE AVLGIDPVQV RITATDTSKV PNTSATAASS GADMNGMAVK DACETLRGRL DATA SEQUENCE AGFVAAREGC AARDVIFDAG QVQASGKSWR FAEIVAAAYM ARISLSATGF DATA SEQUENCE YATPKLSWDR LRGQGRPFLY FAYGAAITEV VIDRLTGENR ILRTDILHDA DATA SEQUENCE GASLNPALDI GQIEGAYVQG AGWLTTEELV WDHCGRLMTH APSTYKIPAF DATA SEQUENCE SDRPRIFNVA LWDQPNREET IFRSKAVGEP PFLLGISAFL ALHDACAACG DATA SEQUENCE PHWPDLQAPA TPEAVLAAVR RAEGRA 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.490 174.600 -0.184 0.000 1.055 2 S CA 0.000 58.108 58.200 -0.153 0.000 1.107 2 S CB 0.000 63.124 63.200 -0.127 0.000 0.593 3 V N 2.782 122.521 119.914 -0.292 0.000 2.644 3 V HA 0.367 4.487 4.120 -0.000 0.000 0.305 3 V C 1.668 177.611 176.094 -0.252 0.000 1.053 3 V CA 2.044 64.137 62.300 -0.346 0.000 1.186 3 V CB 0.339 31.721 31.823 -0.735 0.000 0.895 3 V HN 0.935 nan 8.190 nan 0.000 0.490 4 G N 4.151 112.852 108.800 -0.163 0.000 2.259 4 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.217 4 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.217 4 G C 0.261 175.110 174.900 -0.085 0.000 1.001 4 G CA -0.080 44.950 45.100 -0.118 0.000 0.627 4 G HN 0.571 nan 8.290 nan 0.000 0.501 5 K N 1.224 121.572 120.400 -0.087 0.000 2.098 5 K HA 0.467 4.786 4.320 -0.000 0.000 0.257 5 K C -2.519 174.051 176.600 -0.050 0.000 0.999 5 K CA -1.532 54.716 56.287 -0.064 0.000 0.924 5 K CB 1.770 34.230 32.500 -0.065 0.000 1.028 5 K HN 0.014 nan 8.250 nan 0.000 0.466 6 P HA 0.193 nan 4.420 nan 0.000 0.214 6 P C -0.536 176.751 177.300 -0.021 0.000 1.826 6 P CA -0.080 63.005 63.100 -0.026 0.000 0.977 6 P CB -0.099 31.589 31.700 -0.020 0.000 1.930 7 L N 2.627 123.834 121.223 -0.027 0.000 2.418 7 L HA 0.393 4.733 4.340 -0.000 0.000 0.265 7 L C -1.415 175.452 176.870 -0.005 0.000 1.143 7 L CA -2.223 52.605 54.840 -0.020 0.000 0.809 7 L CB 0.090 42.130 42.059 -0.033 0.000 1.124 7 L HN 0.043 nan 8.230 nan 0.000 0.456 8 P HA -0.053 nan 4.420 nan 0.000 0.271 8 P C -0.523 176.811 177.300 0.057 0.000 1.233 8 P CA -0.284 62.840 63.100 0.041 0.000 0.789 8 P CB 0.426 32.146 31.700 0.034 0.000 0.951 9 H N 1.917 120.986 119.070 -0.000 0.000 2.972 9 H HA -0.092 4.464 4.556 -0.000 0.000 0.343 9 H C 1.423 176.732 175.328 -0.031 0.000 1.054 9 H CA 0.949 57.000 56.048 0.005 0.000 1.412 9 H CB 0.457 30.242 29.762 0.039 0.000 1.385 9 H HN 0.583 nan 8.280 nan 0.000 0.600 10 D N 2.258 122.573 120.400 -0.143 0.000 2.239 10 D HA -0.157 4.483 4.640 -0.000 0.000 0.202 10 D C -0.064 176.310 176.300 0.123 0.000 0.993 10 D CA 1.222 55.227 54.000 0.009 0.000 0.874 10 D CB 0.196 40.981 40.800 -0.024 0.000 0.922 10 D HN 0.305 nan 8.370 nan 0.000 0.464 11 S N -0.314 115.577 115.700 0.318 0.000 2.592 11 S HA 0.523 4.993 4.470 -0.000 0.000 0.243 11 S C 1.046 175.258 174.600 -0.646 0.000 1.160 11 S CA -0.102 57.996 58.200 -0.170 0.000 1.145 11 S CB 1.199 64.316 63.200 -0.139 0.000 0.909 11 S HN 0.452 nan 8.310 nan 0.000 0.487 12 A N 2.285 124.929 122.820 -0.293 0.000 1.898 12 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 12 A C 2.061 179.555 177.584 -0.150 0.000 1.181 12 A CA 1.343 53.231 52.037 -0.248 0.000 0.620 12 A CB -0.382 18.592 19.000 -0.044 0.000 0.819 12 A HN 0.491 nan 8.150 nan 0.000 0.442 13 R N -0.403 120.040 120.500 -0.096 0.000 2.092 13 R HA -0.064 4.276 4.340 -0.000 0.000 0.231 13 R C 2.210 178.481 176.300 -0.049 0.000 1.119 13 R CA 1.396 57.469 56.100 -0.045 0.000 0.970 13 R CB -0.366 29.916 30.300 -0.030 0.000 0.864 13 R HN 0.426 nan 8.270 nan 0.000 0.440 14 A N -0.006 122.754 122.820 -0.099 0.000 1.969 14 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 14 A C 1.647 179.259 177.584 0.047 0.000 1.169 14 A CA 1.363 53.372 52.037 -0.048 0.000 0.635 14 A CB -0.672 18.294 19.000 -0.057 0.000 0.810 14 A HN 0.566 nan 8.150 nan 0.000 0.445 15 H N -1.522 117.547 119.070 -0.001 0.000 2.256 15 H HA -0.100 4.456 4.556 -0.000 0.000 0.299 15 H C 2.068 177.415 175.328 0.032 0.000 1.071 15 H CA 1.096 57.158 56.048 0.023 0.000 1.280 15 H CB -0.246 29.515 29.762 -0.001 0.000 1.370 15 H HN 0.221 nan 8.280 nan 0.000 0.490 16 V N 1.202 121.205 119.914 0.149 0.000 2.660 16 V HA -0.217 3.903 4.120 -0.000 0.000 0.257 16 V C 1.981 178.116 176.094 0.067 0.000 1.088 16 V CA 2.284 64.641 62.300 0.094 0.000 1.106 16 V CB -0.521 31.341 31.823 0.064 0.000 0.686 16 V HN 0.706 nan 8.190 nan 0.000 0.481 17 T N -3.659 110.929 114.554 0.057 0.000 3.134 17 T HA 0.382 4.732 4.350 -0.000 0.000 0.260 17 T C 1.293 176.023 174.700 0.049 0.000 1.027 17 T CA 0.496 62.622 62.100 0.043 0.000 0.913 17 T CB 0.558 69.441 68.868 0.026 0.000 1.046 17 T HN 0.899 nan 8.240 nan 0.000 0.553 18 G N 1.982 110.825 108.800 0.073 0.000 2.225 18 G HA2 -0.309 3.650 3.960 -0.000 0.000 0.267 18 G HA3 -0.309 3.650 3.960 -0.000 0.000 0.267 18 G C 0.539 175.470 174.900 0.053 0.000 1.024 18 G CA 0.584 45.729 45.100 0.076 0.000 0.784 18 G HN 0.613 nan 8.290 nan 0.000 0.507 19 Q N -0.668 119.155 119.800 0.038 0.000 2.384 19 Q HA 0.481 4.821 4.340 -0.000 0.000 0.207 19 Q C 1.567 177.558 176.000 -0.015 0.000 0.904 19 Q CA 0.470 56.279 55.803 0.010 0.000 0.933 19 Q CB 0.598 29.335 28.738 -0.001 0.000 1.077 19 Q HN 0.815 nan 8.270 nan 0.000 0.522 20 A N 1.733 124.550 122.820 -0.006 0.000 2.450 20 A HA 0.276 4.596 4.320 -0.000 0.000 0.255 20 A C -0.359 177.088 177.584 -0.228 0.000 1.096 20 A CA -0.169 51.801 52.037 -0.112 0.000 0.778 20 A CB 0.219 19.177 19.000 -0.069 0.000 1.031 20 A HN 0.184 nan 8.150 nan 0.000 0.494 21 R N 1.686 122.034 120.500 -0.254 0.000 2.265 21 R HA 0.461 4.801 4.340 -0.000 0.000 0.319 21 R C -1.256 174.810 176.300 -0.389 0.000 1.006 21 R CA -0.120 55.848 56.100 -0.221 0.000 0.880 21 R CB 0.848 31.077 30.300 -0.118 0.000 1.077 21 R HN 0.756 nan 8.270 nan 0.000 0.454 22 Y N 1.057 121.348 120.300 -0.015 0.000 2.480 22 Y HA 0.109 4.659 4.550 -0.000 0.000 0.323 22 Y C 1.611 177.487 175.900 -0.041 0.000 1.267 22 Y CA -0.704 57.379 58.100 -0.028 0.000 1.336 22 Y CB 0.570 39.005 38.460 -0.042 0.000 1.361 22 Y HN 0.453 nan 8.280 nan 0.000 0.518 23 L N 0.671 121.960 121.223 0.110 0.000 2.021 23 L HA -0.283 4.056 4.340 -0.000 0.000 0.215 23 L C 1.680 178.550 176.870 -0.001 0.000 1.074 23 L CA 2.277 57.131 54.840 0.024 0.000 0.760 23 L CB -0.316 41.749 42.059 0.010 0.000 0.889 23 L HN 0.804 nan 8.230 nan 0.000 0.433 24 D N -0.801 119.607 120.400 0.013 0.000 2.350 24 D HA -0.167 4.473 4.640 -0.000 0.000 0.216 24 D C 1.503 177.806 176.300 0.005 0.000 0.968 24 D CA 0.917 54.914 54.000 -0.006 0.000 0.894 24 D CB -0.043 40.741 40.800 -0.027 0.000 0.909 24 D HN 0.496 nan 8.370 nan 0.000 0.520 25 D N -0.411 120.003 120.400 0.024 0.000 2.277 25 D HA -0.022 4.618 4.640 -0.000 0.000 0.208 25 D C 0.675 176.962 176.300 -0.021 0.000 0.962 25 D CA 0.111 54.119 54.000 0.013 0.000 0.865 25 D CB 0.130 40.949 40.800 0.031 0.000 0.939 25 D HN 0.307 nan 8.370 nan 0.000 0.510 26 L N 2.458 123.652 121.223 -0.049 0.000 2.485 26 L HA 0.120 4.460 4.340 -0.000 0.000 0.275 26 L C -1.910 174.918 176.870 -0.071 0.000 1.207 26 L CA -1.340 53.447 54.840 -0.089 0.000 0.855 26 L CB -0.419 41.540 42.059 -0.168 0.000 1.114 26 L HN -0.167 nan 8.230 nan 0.000 0.485 27 P HA 0.236 nan 4.420 nan 0.000 0.274 27 P C -1.078 176.189 177.300 -0.056 0.000 1.231 27 P CA -0.587 62.486 63.100 -0.045 0.000 0.790 27 P CB 0.902 32.577 31.700 -0.041 0.000 0.951 28 C N 0.306 119.585 119.300 -0.034 0.000 3.288 28 C HA 0.691 5.150 4.460 -0.000 0.000 0.318 28 C C -2.686 172.295 174.990 -0.015 0.000 1.356 28 C CA -2.268 56.727 59.018 -0.039 0.000 1.359 28 C CB 0.150 27.857 27.740 -0.055 0.000 1.688 28 C HN 0.367 nan 8.230 nan 0.000 0.467 29 P HA 0.294 nan 4.420 nan 0.000 0.269 29 P C 0.773 178.081 177.300 0.014 0.000 1.211 29 P CA 0.340 63.440 63.100 0.000 0.000 0.781 29 P CB 0.409 32.109 31.700 -0.001 0.000 0.877 30 A N 2.239 125.071 122.820 0.020 0.000 1.969 30 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 30 A C 1.628 179.238 177.584 0.043 0.000 1.169 30 A CA 1.566 53.623 52.037 0.034 0.000 0.635 30 A CB -1.062 17.954 19.000 0.028 0.000 0.810 30 A HN 0.734 nan 8.150 nan 0.000 0.445 31 N N -0.075 118.644 118.700 0.032 0.000 2.521 31 N HA -0.031 4.709 4.740 -0.000 0.000 0.188 31 N C 0.064 175.595 175.510 0.035 0.000 1.146 31 N CA 0.820 53.892 53.050 0.036 0.000 0.893 31 N CB -1.284 37.220 38.487 0.028 0.000 0.975 31 N HN 0.161 nan 8.380 nan 0.000 0.451 32 T N 1.945 116.510 114.554 0.018 0.000 2.923 32 T HA 0.013 4.363 4.350 -0.000 0.000 0.309 32 T C 0.483 175.174 174.700 -0.015 0.000 1.059 32 T CA 0.320 62.400 62.100 -0.034 0.000 1.133 32 T CB 0.378 69.207 68.868 -0.065 0.000 1.053 32 T HN 0.136 nan 8.240 nan 0.000 0.530 33 L N 2.974 124.159 121.223 -0.063 0.000 2.365 33 L HA 0.554 4.894 4.340 -0.000 0.000 0.267 33 L C 0.362 177.115 176.870 -0.195 0.000 1.033 33 L CA -1.057 53.788 54.840 0.008 0.000 0.802 33 L CB 1.060 43.148 42.059 0.047 0.000 1.267 33 L HN 0.620 nan 8.230 nan 0.000 0.457 34 H N 1.563 120.665 119.070 0.053 0.000 2.667 34 H HA 0.522 5.078 4.556 -0.000 0.000 0.353 34 H C -0.994 174.361 175.328 0.046 0.000 1.072 34 H CA -0.548 55.537 56.048 0.062 0.000 1.214 34 H CB 2.400 32.224 29.762 0.104 0.000 1.600 34 H HN 0.310 nan 8.280 nan 0.000 0.527 35 L N 1.278 122.557 121.223 0.094 0.000 2.331 35 L HA 0.876 5.216 4.340 -0.000 0.000 0.268 35 L C 0.131 176.971 176.870 -0.050 0.000 1.015 35 L CA -1.063 53.781 54.840 0.007 0.000 0.807 35 L CB 1.684 43.688 42.059 -0.092 0.000 1.293 35 L HN 0.600 nan 8.230 nan 0.000 0.451 36 A N 0.353 123.112 122.820 -0.101 0.000 2.604 36 A HA 0.697 5.016 4.320 -0.000 0.000 0.295 36 A C -1.462 176.018 177.584 -0.174 0.000 1.067 36 A CA -0.474 51.473 52.037 -0.150 0.000 0.683 36 A CB 1.135 20.078 19.000 -0.095 0.000 1.281 36 A HN 0.517 nan 8.150 nan 0.000 0.407 37 F N 0.632 120.556 119.950 -0.043 0.000 2.378 37 F HA 0.572 5.099 4.527 -0.000 0.000 0.325 37 F C 1.284 176.881 175.800 -0.338 0.000 1.097 37 F CA -0.110 57.786 58.000 -0.173 0.000 1.079 37 F CB 1.914 40.856 39.000 -0.097 0.000 1.240 37 F HN 0.721 nan 8.300 nan 0.000 0.519 38 G N 2.128 110.632 108.800 -0.492 0.000 2.416 38 G HA2 0.681 4.641 3.960 -0.000 0.000 0.329 38 G HA3 0.681 4.641 3.960 -0.000 0.000 0.329 38 G C -1.396 173.283 174.900 -0.368 0.000 1.173 38 G CA -0.676 44.086 45.100 -0.564 0.000 0.929 38 G HN 0.538 nan 8.290 nan 0.000 0.475 39 L N 0.617 121.745 121.223 -0.157 0.000 2.286 39 L HA 0.681 5.021 4.340 -0.000 0.000 0.265 39 L C 0.741 177.564 176.870 -0.078 0.000 1.012 39 L CA -1.178 53.574 54.840 -0.146 0.000 0.818 39 L CB 1.832 43.801 42.059 -0.151 0.000 1.337 39 L HN 0.570 nan 8.230 nan 0.000 0.438 40 S N -0.637 114.973 115.700 -0.149 0.000 2.585 40 S HA 0.210 4.680 4.470 -0.000 0.000 0.273 40 S C 0.664 175.198 174.600 -0.110 0.000 1.339 40 S CA 0.172 58.342 58.200 -0.051 0.000 1.028 40 S CB 0.844 63.928 63.200 -0.194 0.000 0.906 40 S HN 0.785 nan 8.310 nan 0.000 0.528 41 T N 0.183 114.666 114.554 -0.117 0.000 3.174 41 T HA 0.384 4.734 4.350 -0.000 0.000 0.269 41 T C -0.235 174.265 174.700 -0.333 0.000 1.017 41 T CA -0.490 61.495 62.100 -0.192 0.000 0.899 41 T CB -0.069 68.722 68.868 -0.129 0.000 1.077 41 T HN 0.537 nan 8.240 nan 0.000 0.552 42 E N 0.687 120.623 120.200 -0.439 0.000 2.199 42 E HA 0.638 4.987 4.350 -0.000 0.000 0.269 42 E C 0.646 177.080 176.600 -0.276 0.000 0.899 42 E CA -0.513 55.626 56.400 -0.436 0.000 0.772 42 E CB 1.989 31.295 29.700 -0.657 0.000 1.155 42 E HN 0.186 nan 8.360 nan 0.000 0.408 43 A N 2.242 124.947 122.820 -0.191 0.000 2.015 43 A HA -0.047 4.273 4.320 -0.000 0.000 0.219 43 A C 0.967 178.478 177.584 -0.122 0.000 1.163 43 A CA 1.208 53.175 52.037 -0.116 0.000 0.646 43 A CB 0.255 19.214 19.000 -0.069 0.000 0.806 43 A HN 0.328 nan 8.150 nan 0.000 0.448 44 S N -1.999 113.609 115.700 -0.153 0.000 2.428 44 S HA 0.556 5.026 4.470 -0.000 0.000 0.269 44 S C -0.848 173.667 174.600 -0.141 0.000 1.026 44 S CA 0.212 58.319 58.200 -0.155 0.000 1.019 44 S CB 0.099 63.244 63.200 -0.092 0.000 1.191 44 S HN 1.600 nan 8.310 nan 0.000 0.429 45 A N 2.938 125.674 122.820 -0.140 0.000 2.599 45 A HA 0.964 5.284 4.320 -0.000 0.000 0.290 45 A C -0.520 177.047 177.584 -0.028 0.000 1.101 45 A CA -0.252 51.754 52.037 -0.051 0.000 0.674 45 A CB 0.874 19.882 19.000 0.013 0.000 1.277 45 A HN 1.714 nan 8.150 nan 0.000 0.419 46 A N 0.363 123.187 122.820 0.006 0.000 2.310 46 A HA 0.706 5.026 4.320 -0.000 0.000 0.299 46 A C -0.306 177.289 177.584 0.020 0.000 1.147 46 A CA -0.377 51.657 52.037 -0.004 0.000 0.818 46 A CB 0.084 19.081 19.000 -0.006 0.000 1.096 46 A HN 0.713 nan 8.150 nan 0.000 0.495 47 I N 1.819 122.377 120.570 -0.020 0.000 2.371 47 I HA 0.173 4.343 4.170 -0.000 0.000 0.290 47 I C 0.934 176.999 176.117 -0.086 0.000 1.028 47 I CA -0.021 61.223 61.300 -0.094 0.000 1.345 47 I CB 1.599 39.526 38.000 -0.122 0.000 1.407 47 I HN 0.758 nan 8.210 nan 0.000 0.501 48 T N 3.809 118.296 114.554 -0.112 0.000 2.990 48 T HA 0.258 4.608 4.350 -0.000 0.000 0.250 48 T C 0.353 175.003 174.700 -0.083 0.000 1.041 48 T CA 0.022 62.079 62.100 -0.072 0.000 1.010 48 T CB 0.461 69.302 68.868 -0.045 0.000 1.003 48 T HN 0.837 nan 8.240 nan 0.000 0.499 49 G N 0.810 109.536 108.800 -0.125 0.000 2.733 49 G HA2 0.533 4.493 3.960 -0.000 0.000 0.297 49 G HA3 0.533 4.493 3.960 -0.000 0.000 0.297 49 G C -2.379 172.433 174.900 -0.147 0.000 1.452 49 G CA -0.499 44.535 45.100 -0.110 0.000 0.940 49 G HN 0.086 nan 8.290 nan 0.000 0.547 50 L N 2.078 123.224 121.223 -0.127 0.000 2.514 50 L HA 0.497 4.837 4.340 -0.000 0.000 0.257 50 L C -1.071 175.708 176.870 -0.151 0.000 1.101 50 L CA -0.912 53.838 54.840 -0.150 0.000 0.911 50 L CB 1.345 43.326 42.059 -0.130 0.000 1.162 50 L HN 0.570 nan 8.230 nan 0.000 0.477 51 D N 3.241 123.554 120.400 -0.146 0.000 2.280 51 D HA 0.310 4.950 4.640 -0.000 0.000 0.243 51 D C 0.452 176.643 176.300 -0.182 0.000 1.129 51 D CA 0.012 53.932 54.000 -0.133 0.000 0.848 51 D CB 1.050 41.791 40.800 -0.098 0.000 1.107 51 D HN 0.551 nan 8.370 nan 0.000 0.471 52 L N 3.062 124.167 121.223 -0.198 0.000 2.808 52 L HA 0.202 4.542 4.340 -0.000 0.000 0.246 52 L C 1.643 178.416 176.870 -0.163 0.000 1.153 52 L CA -0.199 54.487 54.840 -0.258 0.000 0.956 52 L CB 0.242 42.107 42.059 -0.324 0.000 1.270 52 L HN 0.351 nan 8.230 nan 0.000 0.528 53 E N 1.641 121.772 120.200 -0.116 0.000 2.070 53 E HA -0.183 4.167 4.350 -0.000 0.000 0.197 53 E C -0.728 175.834 176.600 -0.063 0.000 1.004 53 E CA 1.859 58.212 56.400 -0.079 0.000 0.805 53 E CB -0.789 28.874 29.700 -0.062 0.000 0.744 53 E HN 0.254 nan 8.360 nan 0.000 0.451 54 P HA -0.140 nan 4.420 nan 0.000 0.219 54 P C 1.118 178.401 177.300 -0.028 0.000 1.146 54 P CA 0.922 64.000 63.100 -0.036 0.000 0.808 54 P CB 0.131 31.812 31.700 -0.031 0.000 0.779 55 V N -0.073 119.809 119.914 -0.054 0.000 2.273 55 V HA -0.170 3.950 4.120 -0.000 0.000 0.242 55 V C 2.438 178.525 176.094 -0.011 0.000 1.035 55 V CA 1.554 63.840 62.300 -0.022 0.000 1.013 55 V CB -0.939 30.844 31.823 -0.066 0.000 0.652 55 V HN 0.029 nan 8.190 nan 0.000 0.452 56 R N 0.200 120.676 120.500 -0.040 0.000 2.117 56 R HA -0.247 4.093 4.340 -0.000 0.000 0.243 56 R C 2.129 178.422 176.300 -0.013 0.000 1.143 56 R CA 1.868 57.952 56.100 -0.028 0.000 0.968 56 R CB -0.387 29.884 30.300 -0.048 0.000 0.863 56 R HN 0.603 nan 8.270 nan 0.000 0.444 57 E N 0.508 120.698 120.200 -0.015 0.000 2.347 57 E HA -0.015 4.335 4.350 -0.000 0.000 0.196 57 E C 0.380 176.982 176.600 0.004 0.000 1.008 57 E CA 0.034 56.430 56.400 -0.008 0.000 0.852 57 E CB 0.192 29.884 29.700 -0.012 0.000 0.783 57 E HN 0.043 nan 8.360 nan 0.000 0.505 58 S N 1.264 116.970 115.700 0.011 0.000 2.572 58 S HA 0.089 4.559 4.470 -0.000 0.000 0.279 58 S C -2.344 172.269 174.600 0.022 0.000 1.341 58 S CA -1.662 56.550 58.200 0.020 0.000 1.043 58 S CB 0.486 63.704 63.200 0.031 0.000 0.887 58 S HN -0.088 nan 8.310 nan 0.000 0.516 59 P HA 0.172 nan 4.420 nan 0.000 0.267 59 P C 0.881 178.197 177.300 0.027 0.000 1.200 59 P CA 0.748 63.861 63.100 0.021 0.000 0.772 59 P CB 0.017 31.727 31.700 0.017 0.000 0.855 60 G N 0.624 109.441 108.800 0.028 0.000 2.196 60 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.268 60 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.268 60 G C 0.153 175.082 174.900 0.048 0.000 0.975 60 G CA 0.217 45.339 45.100 0.037 0.000 0.648 60 G HN 0.552 nan 8.290 nan 0.000 0.538 61 V N 1.572 121.512 119.914 0.044 0.000 2.583 61 V HA 0.383 4.503 4.120 -0.000 0.000 0.287 61 V C 1.509 177.632 176.094 0.049 0.000 1.051 61 V CA -0.068 62.264 62.300 0.055 0.000 1.010 61 V CB 1.498 33.351 31.823 0.050 0.000 0.988 61 V HN 0.169 nan 8.190 nan 0.000 0.478 62 I N 2.366 122.975 120.570 0.065 0.000 3.718 62 I HA 0.403 4.573 4.170 -0.000 0.000 0.297 62 I C 0.804 176.944 176.117 0.038 0.000 1.220 62 I CA 0.850 62.184 61.300 0.056 0.000 1.381 62 I CB 0.386 38.432 38.000 0.076 0.000 1.238 62 I HN 0.699 nan 8.210 nan 0.000 0.448 63 A N 0.292 123.146 122.820 0.056 0.000 2.593 63 A HA 0.771 5.091 4.320 -0.000 0.000 0.290 63 A C -1.389 176.172 177.584 -0.039 0.000 1.126 63 A CA -0.372 51.627 52.037 -0.063 0.000 0.695 63 A CB 2.165 21.134 19.000 -0.052 0.000 1.290 63 A HN -0.170 nan 8.150 nan 0.000 0.414 64 V N -0.031 119.721 119.914 -0.269 0.000 2.932 64 V HA 0.705 4.825 4.120 -0.000 0.000 0.307 64 V C -1.564 174.390 176.094 -0.232 0.000 1.147 64 V CA -0.333 61.947 62.300 -0.033 0.000 0.951 64 V CB 1.898 33.697 31.823 -0.039 0.000 1.031 64 V HN 0.804 nan 8.190 nan 0.000 0.426 65 F N 0.740 120.812 119.950 0.203 0.000 2.603 65 F HA 0.833 5.360 4.527 -0.000 0.000 0.317 65 F C 0.321 176.244 175.800 0.206 0.000 1.066 65 F CA -0.438 57.664 58.000 0.170 0.000 0.941 65 F CB 2.742 41.842 39.000 0.167 0.000 1.291 65 F HN 0.389 nan 8.300 nan 0.000 0.472 66 T N -0.038 114.726 114.554 0.350 0.000 2.883 66 T HA 0.506 4.856 4.350 -0.000 0.000 0.301 66 T C 0.579 175.402 174.700 0.206 0.000 1.158 66 T CA -0.002 62.243 62.100 0.242 0.000 1.007 66 T CB 1.805 70.753 68.868 0.133 0.000 1.186 66 T HN 0.691 nan 8.240 nan 0.000 0.499 67 A N 1.129 124.043 122.820 0.156 0.000 1.997 67 A HA -0.033 4.287 4.320 -0.000 0.000 0.221 67 A C 2.384 180.032 177.584 0.107 0.000 1.172 67 A CA 2.540 54.652 52.037 0.124 0.000 0.645 67 A CB -1.048 18.011 19.000 0.098 0.000 0.813 67 A HN 0.971 nan 8.150 nan 0.000 0.454 68 A N -0.273 122.602 122.820 0.091 0.000 1.972 68 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 68 A C 1.671 179.304 177.584 0.080 0.000 1.169 68 A CA 1.627 53.703 52.037 0.066 0.000 0.635 68 A CB -0.435 18.591 19.000 0.043 0.000 0.810 68 A HN 0.547 nan 8.150 nan 0.000 0.446 69 D N -0.225 120.252 120.400 0.129 0.000 2.347 69 D HA 0.055 4.695 4.640 -0.000 0.000 0.215 69 D C 0.333 176.750 176.300 0.195 0.000 0.976 69 D CA 0.188 54.289 54.000 0.169 0.000 0.884 69 D CB -0.096 40.855 40.800 0.252 0.000 0.915 69 D HN 0.373 nan 8.370 nan 0.000 0.526 70 L N 2.503 123.822 121.223 0.161 0.000 2.462 70 L HA 0.036 4.376 4.340 -0.000 0.000 0.272 70 L C -0.981 175.929 176.870 0.066 0.000 1.166 70 L CA -1.077 53.839 54.840 0.127 0.000 0.880 70 L CB 0.528 42.653 42.059 0.109 0.000 1.142 70 L HN -0.177 nan 8.230 nan 0.000 0.473 71 P HA -0.031 nan 4.420 nan 0.000 0.225 71 P C 0.037 177.112 177.300 -0.376 0.000 1.156 71 P CA 1.373 64.417 63.100 -0.094 0.000 0.787 71 P CB 0.421 32.148 31.700 0.046 0.000 0.802 72 H N -2.654 116.454 119.070 0.063 0.000 5.205 72 H HA 0.257 4.812 4.556 -0.000 0.000 0.194 72 H C -0.403 174.958 175.328 0.056 0.000 1.301 72 H CA -0.595 55.488 56.048 0.058 0.000 0.200 72 H CB -0.688 29.113 29.762 0.065 0.000 1.618 72 H HN -0.279 nan 8.280 nan 0.000 0.323 73 D N 1.027 121.563 120.400 0.226 0.000 2.414 73 D HA 0.125 4.765 4.640 -0.000 0.000 0.242 73 D C -0.309 176.053 176.300 0.103 0.000 1.129 73 D CA 0.228 54.304 54.000 0.126 0.000 0.885 73 D CB 0.389 41.255 40.800 0.111 0.000 1.198 73 D HN 0.276 nan 8.370 nan 0.000 0.437 74 N N 2.137 120.882 118.700 0.075 0.000 2.706 74 N HA 0.285 5.025 4.740 -0.000 0.000 0.240 74 N C -2.022 173.514 175.510 0.044 0.000 1.039 74 N CA -0.586 52.503 53.050 0.065 0.000 0.888 74 N CB 0.307 38.839 38.487 0.074 0.000 1.128 74 N HN 0.252 nan 8.380 nan 0.000 0.512 75 D N 1.659 122.069 120.400 0.017 0.000 2.400 75 D HA 0.290 4.930 4.640 -0.000 0.000 0.197 75 D C -1.000 175.264 176.300 -0.061 0.000 1.295 75 D CA -0.418 53.574 54.000 -0.015 0.000 0.878 75 D CB 0.736 41.538 40.800 0.004 0.000 1.659 75 D HN 0.297 nan 8.370 nan 0.000 0.546 76 A N 2.729 125.458 122.820 -0.152 0.000 2.470 76 A HA 0.353 4.673 4.320 -0.000 0.000 0.251 76 A C 0.845 178.346 177.584 -0.139 0.000 1.245 76 A CA 0.007 51.910 52.037 -0.223 0.000 0.932 76 A CB 0.239 18.856 19.000 -0.640 0.000 1.037 76 A HN 0.386 nan 8.150 nan 0.000 0.522 77 S N 1.556 117.190 115.700 -0.110 0.000 2.562 77 S HA 0.276 4.746 4.470 -0.000 0.000 0.281 77 S C -1.509 173.041 174.600 -0.084 0.000 1.333 77 S CA -0.862 57.280 58.200 -0.097 0.000 1.052 77 S CB 0.681 63.808 63.200 -0.121 0.000 0.884 77 S HN 0.303 nan 8.310 nan 0.000 0.506 78 P HA 0.267 nan 4.420 nan 0.000 0.255 78 P C -0.393 176.875 177.300 -0.054 0.000 1.357 78 P CA 0.097 63.162 63.100 -0.058 0.000 0.839 78 P CB -0.220 31.481 31.700 0.002 0.000 1.356 79 A N 0.183 122.962 122.820 -0.068 0.000 2.593 79 A HA 0.627 4.947 4.320 -0.000 0.000 0.290 79 A C -2.179 175.376 177.584 -0.049 0.000 1.126 79 A CA -1.323 50.681 52.037 -0.055 0.000 0.695 79 A CB 0.509 19.463 19.000 -0.076 0.000 1.290 79 A HN -0.267 nan 8.150 nan 0.000 0.414 80 P HA -0.071 nan 4.420 nan 0.000 0.215 80 P C 0.708 177.995 177.300 -0.023 0.000 1.153 80 P CA 1.731 64.822 63.100 -0.015 0.000 0.853 80 P CB -0.086 31.612 31.700 -0.004 0.000 0.788 81 S N -0.761 114.918 115.700 -0.035 0.000 2.584 81 S HA 0.415 4.885 4.470 -0.000 0.000 0.273 81 S C -2.517 172.049 174.600 -0.057 0.000 1.311 81 S CA -1.411 56.772 58.200 -0.029 0.000 1.034 81 S CB 0.230 63.426 63.200 -0.007 0.000 0.939 81 S HN -0.081 nan 8.310 nan 0.000 0.513 82 P HA 0.382 nan 4.420 nan 0.000 0.276 82 P C -0.893 176.355 177.300 -0.087 0.000 1.252 82 P CA -0.486 62.587 63.100 -0.046 0.000 0.802 82 P CB 0.389 32.086 31.700 -0.005 0.000 1.035 83 E N 1.037 121.185 120.200 -0.088 0.000 2.378 83 E HA 0.245 4.595 4.350 -0.000 0.000 0.282 83 E C -2.752 173.864 176.600 0.026 0.000 0.910 83 E CA -2.197 54.120 56.400 -0.139 0.000 0.816 83 E CB 1.349 30.856 29.700 -0.321 0.000 1.359 83 E HN 0.215 nan 8.360 nan 0.000 0.397 84 P HA -0.045 nan 4.420 nan 0.000 0.267 84 P C 0.766 178.146 177.300 0.134 0.000 1.200 84 P CA -0.231 62.958 63.100 0.148 0.000 0.772 84 P CB 1.577 33.397 31.700 0.201 0.000 0.855 85 V N 2.907 122.847 119.914 0.042 0.000 2.273 85 V HA -0.099 4.020 4.120 -0.000 0.000 0.242 85 V C 1.379 177.488 176.094 0.025 0.000 1.035 85 V CA 1.460 63.767 62.300 0.012 0.000 1.013 85 V CB -0.568 31.265 31.823 0.017 0.000 0.652 85 V HN 0.395 nan 8.190 nan 0.000 0.452 86 L N 0.446 121.703 121.223 0.057 0.000 2.325 86 L HA 0.604 4.944 4.340 -0.000 0.000 0.279 86 L C 0.390 177.306 176.870 0.076 0.000 1.054 86 L CA -0.608 54.260 54.840 0.046 0.000 0.804 86 L CB 1.121 43.246 42.059 0.110 0.000 1.200 86 L HN 0.218 nan 8.230 nan 0.000 0.436 87 A N 1.511 124.361 122.820 0.050 0.000 2.567 87 A HA 0.246 4.566 4.320 -0.000 0.000 0.240 87 A C 0.546 178.181 177.584 0.084 0.000 1.053 87 A CA 0.114 52.192 52.037 0.068 0.000 0.755 87 A CB -0.279 18.727 19.000 0.010 0.000 0.978 87 A HN 0.736 nan 8.150 nan 0.000 0.507 88 T N 0.759 115.378 114.554 0.110 0.000 3.145 88 T HA 0.526 4.876 4.350 -0.000 0.000 0.362 88 T C 1.177 175.923 174.700 0.077 0.000 1.340 88 T CA 0.327 62.483 62.100 0.094 0.000 1.069 88 T CB 0.330 69.263 68.868 0.109 0.000 1.129 88 T HN 2.367 nan 8.240 nan 0.000 0.585 89 G N 3.179 112.005 108.800 0.045 0.000 2.377 89 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.250 89 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.250 89 G C -0.052 174.852 174.900 0.007 0.000 1.039 89 G CA 0.667 45.781 45.100 0.023 0.000 0.625 89 G HN 1.015 nan 8.290 nan 0.000 0.526 90 E N -1.055 119.152 120.200 0.012 0.000 2.450 90 E HA 0.753 5.103 4.350 -0.000 0.000 0.272 90 E C -0.525 176.009 176.600 -0.111 0.000 0.967 90 E CA -0.760 55.605 56.400 -0.059 0.000 0.818 90 E CB 2.349 31.993 29.700 -0.094 0.000 1.401 90 E HN 1.050 nan 8.360 nan 0.000 0.450 91 V N -2.507 117.259 119.914 -0.247 0.000 3.007 91 V HA 0.453 4.573 4.120 -0.000 0.000 0.311 91 V C -0.358 175.451 176.094 -0.475 0.000 1.120 91 V CA -0.724 61.416 62.300 -0.266 0.000 0.980 91 V CB 1.756 33.467 31.823 -0.187 0.000 1.033 91 V HN 0.895 nan 8.190 nan 0.000 0.429 92 H N 2.400 121.238 119.070 -0.387 0.000 3.058 92 H HA 0.425 4.981 4.556 -0.000 0.000 0.266 92 H C -0.429 174.790 175.328 -0.183 0.000 1.135 92 H CA 0.650 56.560 56.048 -0.230 0.000 1.174 92 H CB 1.165 30.886 29.762 -0.068 0.000 1.581 92 H HN 0.769 nan 8.280 nan 0.000 0.553 93 F N -1.820 117.920 119.950 -0.349 0.000 2.770 93 F HA 0.463 4.990 4.527 -0.000 0.000 0.313 93 F C -1.876 173.803 175.800 -0.201 0.000 1.154 93 F CA -1.397 56.455 58.000 -0.247 0.000 0.923 93 F CB 0.769 39.613 39.000 -0.259 0.000 1.301 93 F HN -0.352 nan 8.300 nan 0.000 0.449 94 V N 2.395 122.296 119.914 -0.022 0.000 2.408 94 V HA 0.588 4.708 4.120 -0.000 0.000 0.267 94 V C 0.689 176.722 176.094 -0.101 0.000 1.047 94 V CA 0.821 63.026 62.300 -0.159 0.000 0.937 94 V CB 0.027 31.823 31.823 -0.045 0.000 0.999 94 V HN 1.525 nan 8.190 nan 0.000 0.472 95 G N 3.899 112.483 108.800 -0.361 0.000 2.480 95 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.193 95 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.193 95 G C 0.350 174.904 174.900 -0.576 0.000 1.004 95 G CA 0.036 44.995 45.100 -0.234 0.000 0.696 95 G HN 0.678 nan 8.290 nan 0.000 0.478 96 Q N 2.368 121.296 119.800 -1.454 0.000 2.247 96 Q HA 0.357 4.697 4.340 -0.000 0.000 0.288 96 Q C -2.260 173.433 176.000 -0.512 0.000 1.079 96 Q CA -1.032 54.099 55.803 -1.120 0.000 0.932 96 Q CB 0.611 28.556 28.738 -1.322 0.000 1.133 96 Q HN 0.224 nan 8.270 nan 0.000 0.377 97 P HA -0.005 nan 4.420 nan 0.000 0.268 97 P C -0.436 176.693 177.300 -0.284 0.000 1.204 97 P CA 0.545 63.390 63.100 -0.426 0.000 0.768 97 P CB 0.669 31.817 31.700 -0.919 0.000 0.842 98 I N 2.158 122.612 120.570 -0.194 0.000 3.718 98 I HA 0.163 4.333 4.170 -0.000 0.000 0.297 98 I C 0.574 176.788 176.117 0.162 0.000 1.220 98 I CA 0.426 61.722 61.300 -0.006 0.000 1.381 98 I CB 0.197 38.255 38.000 0.098 0.000 1.238 98 I HN 0.295 nan 8.210 nan 0.000 0.448 99 F N -0.287 119.723 119.950 0.099 0.000 2.726 99 F HA 0.765 5.292 4.527 -0.000 0.000 0.324 99 F C -1.410 174.575 175.800 0.308 0.000 1.140 99 F CA -1.470 56.636 58.000 0.177 0.000 0.964 99 F CB 1.426 40.502 39.000 0.127 0.000 1.399 99 F HN -0.315 nan 8.300 nan 0.000 0.491 100 L N 2.136 123.663 121.223 0.507 0.000 2.439 100 L HA 0.764 5.104 4.340 -0.000 0.000 0.270 100 L C -1.652 175.491 176.870 0.455 0.000 0.972 100 L CA -0.674 54.410 54.840 0.407 0.000 0.836 100 L CB 1.835 44.138 42.059 0.407 0.000 1.255 100 L HN 0.615 nan 8.230 nan 0.000 0.404 101 V N 3.969 124.058 119.914 0.291 0.000 2.472 101 V HA 0.863 4.982 4.120 -0.000 0.000 0.290 101 V C 0.304 176.523 176.094 0.209 0.000 1.037 101 V CA -0.250 62.219 62.300 0.282 0.000 0.908 101 V CB 1.447 33.400 31.823 0.216 0.000 0.985 101 V HN 0.948 nan 8.190 nan 0.000 0.454 102 A N 3.667 126.628 122.820 0.235 0.000 2.293 102 A HA 0.901 5.221 4.320 -0.000 0.000 0.312 102 A C 0.021 177.695 177.584 0.151 0.000 1.309 102 A CA -0.020 52.129 52.037 0.187 0.000 0.839 102 A CB 0.865 20.015 19.000 0.249 0.000 1.155 102 A HN 1.214 nan 8.150 nan 0.000 0.501 103 A N 1.364 124.266 122.820 0.137 0.000 2.468 103 A HA 0.799 5.119 4.320 -0.000 0.000 0.270 103 A C 1.068 178.737 177.584 0.141 0.000 1.217 103 A CA 0.324 52.431 52.037 0.117 0.000 0.908 103 A CB 0.161 19.216 19.000 0.092 0.000 1.423 103 A HN 1.300 nan 8.150 nan 0.000 0.459 104 T N -1.613 113.008 114.554 0.111 0.000 3.144 104 T HA 0.393 4.743 4.350 -0.000 0.000 0.249 104 T C 0.264 175.027 174.700 0.106 0.000 1.089 104 T CA 0.616 62.793 62.100 0.130 0.000 0.989 104 T CB -0.865 68.052 68.868 0.081 0.000 0.992 104 T HN 1.805 nan 8.240 nan 0.000 0.540 105 S N -0.453 115.280 115.700 0.056 0.000 2.570 105 S HA 0.242 4.712 4.470 -0.000 0.000 0.286 105 S C 0.363 174.918 174.600 -0.075 0.000 1.143 105 S CA -0.739 57.377 58.200 -0.140 0.000 0.921 105 S CB 0.820 63.959 63.200 -0.100 0.000 1.108 105 S HN 0.251 nan 8.310 nan 0.000 0.456 106 H N 3.379 122.256 119.070 -0.322 0.000 2.278 106 H HA -0.218 4.338 4.556 -0.000 0.000 0.287 106 H C 1.907 177.216 175.328 -0.032 0.000 1.107 106 H CA 2.763 58.760 56.048 -0.086 0.000 1.192 106 H CB 0.000 29.706 29.762 -0.094 0.000 1.346 106 H HN 0.600 nan 8.280 nan 0.000 0.478 107 R N 0.143 120.658 120.500 0.026 0.000 2.094 107 R HA -0.137 4.202 4.340 -0.000 0.000 0.239 107 R C 2.595 178.876 176.300 -0.032 0.000 1.137 107 R CA 1.102 57.191 56.100 -0.017 0.000 0.943 107 R CB -1.035 29.273 30.300 0.013 0.000 0.850 107 R HN 0.447 nan 8.270 nan 0.000 0.433 108 A N 1.243 124.057 122.820 -0.010 0.000 1.903 108 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 108 A C 2.436 180.026 177.584 0.010 0.000 1.191 108 A CA 2.468 54.509 52.037 0.007 0.000 0.638 108 A CB -0.810 18.203 19.000 0.022 0.000 0.823 108 A HN 0.454 nan 8.150 nan 0.000 0.451 109 A N -0.609 122.213 122.820 0.003 0.000 1.858 109 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 109 A C 2.251 179.819 177.584 -0.026 0.000 1.190 109 A CA 1.616 53.660 52.037 0.011 0.000 0.617 109 A CB -0.589 18.420 19.000 0.015 0.000 0.827 109 A HN 0.549 nan 8.150 nan 0.000 0.443 110 R N -0.602 119.831 120.500 -0.112 0.000 2.115 110 R HA -0.198 4.142 4.340 -0.000 0.000 0.239 110 R C 2.112 178.398 176.300 -0.023 0.000 1.133 110 R CA 1.957 57.998 56.100 -0.099 0.000 0.935 110 R CB -0.883 29.322 30.300 -0.159 0.000 0.853 110 R HN 0.604 nan 8.270 nan 0.000 0.433 111 I N 0.773 121.336 120.570 -0.012 0.000 2.087 111 I HA -0.345 3.825 4.170 -0.000 0.000 0.240 111 I C 2.703 178.846 176.117 0.042 0.000 1.054 111 I CA 1.679 62.989 61.300 0.016 0.000 1.311 111 I CB -0.537 37.473 38.000 0.016 0.000 1.024 111 I HN 0.256 nan 8.210 nan 0.000 0.402 112 A N 0.547 123.399 122.820 0.053 0.000 1.986 112 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 112 A C 2.483 180.154 177.584 0.146 0.000 1.171 112 A CA 1.910 54.001 52.037 0.090 0.000 0.640 112 A CB -0.893 18.168 19.000 0.102 0.000 0.811 112 A HN 0.498 nan 8.150 nan 0.000 0.451 113 A N -0.442 122.456 122.820 0.130 0.000 2.076 113 A HA -0.142 4.178 4.320 -0.000 0.000 0.220 113 A C 2.102 179.810 177.584 0.206 0.000 1.160 113 A CA 1.424 53.568 52.037 0.179 0.000 0.653 113 A CB -0.378 18.642 19.000 0.034 0.000 0.801 113 A HN 0.564 nan 8.150 nan 0.000 0.455 114 R N -0.732 119.843 120.500 0.126 0.000 2.310 114 R HA 0.103 4.443 4.340 -0.000 0.000 0.202 114 R C 1.021 177.386 176.300 0.108 0.000 0.933 114 R CA 0.411 56.576 56.100 0.107 0.000 1.054 114 R CB 0.063 30.400 30.300 0.061 0.000 0.985 114 R HN 0.422 nan 8.270 nan 0.000 0.489 115 K N 0.406 120.873 120.400 0.113 0.000 2.404 115 K HA 0.193 4.513 4.320 -0.000 0.000 0.194 115 K C 0.479 177.101 176.600 0.036 0.000 1.023 115 K CA -0.152 56.172 56.287 0.063 0.000 1.094 115 K CB 0.792 33.317 32.500 0.042 0.000 0.841 115 K HN 0.054 nan 8.250 nan 0.000 0.523 116 A N 1.900 124.759 122.820 0.064 0.000 2.448 116 A HA 0.141 4.461 4.320 -0.000 0.000 0.239 116 A C -0.180 177.390 177.584 -0.023 0.000 1.080 116 A CA 0.061 52.067 52.037 -0.052 0.000 0.779 116 A CB 0.258 19.182 19.000 -0.126 0.000 1.026 116 A HN 0.233 nan 8.150 nan 0.000 0.499 117 R N 0.799 121.257 120.500 -0.069 0.000 2.288 117 R HA 0.540 4.879 4.340 -0.000 0.000 0.326 117 R C -1.255 174.992 176.300 -0.089 0.000 0.959 117 R CA -0.067 56.004 56.100 -0.049 0.000 0.834 117 R CB 1.079 31.352 30.300 -0.045 0.000 1.157 117 R HN 0.668 nan 8.270 nan 0.000 0.470 118 I N 1.765 122.280 120.570 -0.093 0.000 2.530 118 I HA 0.345 4.515 4.170 -0.000 0.000 0.297 118 I C 0.202 176.170 176.117 -0.249 0.000 1.011 118 I CA -0.803 60.354 61.300 -0.238 0.000 1.107 118 I CB 2.522 40.298 38.000 -0.374 0.000 1.285 118 I HN 0.537 nan 8.210 nan 0.000 0.436 119 T N 1.397 115.779 114.554 -0.287 0.000 2.829 119 T HA 0.679 5.029 4.350 -0.000 0.000 0.280 119 T C -0.934 173.649 174.700 -0.195 0.000 0.999 119 T CA -0.694 61.317 62.100 -0.149 0.000 0.983 119 T CB 1.152 69.982 68.868 -0.064 0.000 0.968 119 T HN 0.278 nan 8.240 nan 0.000 0.446 120 Y N 0.425 120.707 120.300 -0.030 0.000 2.598 120 Y HA 0.696 5.246 4.550 -0.000 0.000 0.340 120 Y C 0.191 176.070 175.900 -0.035 0.000 1.038 120 Y CA -1.604 56.473 58.100 -0.039 0.000 1.100 120 Y CB 2.003 40.433 38.460 -0.050 0.000 1.281 120 Y HN 0.950 nan 8.280 nan 0.000 0.488 121 A N 2.670 125.569 122.820 0.132 0.000 2.664 121 A HA 0.602 4.922 4.320 -0.000 0.000 0.338 121 A C -2.855 174.750 177.584 0.036 0.000 1.280 121 A CA -1.773 50.299 52.037 0.059 0.000 0.809 121 A CB -0.397 18.620 19.000 0.029 0.000 1.114 121 A HN 0.396 nan 8.150 nan 0.000 0.479 122 P HA 0.224 nan 4.420 nan 0.000 0.267 122 P C -0.134 177.150 177.300 -0.026 0.000 1.201 122 P CA 0.389 63.474 63.100 -0.025 0.000 0.775 122 P CB 0.497 32.172 31.700 -0.041 0.000 0.854 123 R N 1.796 122.271 120.500 -0.042 0.000 2.855 123 R HA 0.569 4.909 4.340 -0.000 0.000 0.266 123 R C -2.568 173.711 176.300 -0.034 0.000 1.034 123 R CA -2.119 53.961 56.100 -0.033 0.000 0.944 123 R CB -0.048 30.231 30.300 -0.036 0.000 1.219 123 R HN 0.259 nan 8.270 nan 0.000 0.474 124 P HA 0.114 nan 4.420 nan 0.000 0.267 124 P C -1.218 176.068 177.300 -0.024 0.000 1.205 124 P CA -0.113 62.975 63.100 -0.020 0.000 0.765 124 P CB 0.756 32.448 31.700 -0.014 0.000 0.828 125 A N 3.745 126.550 122.820 -0.025 0.000 2.324 125 A HA 0.588 4.907 4.320 -0.000 0.000 0.330 125 A C -0.210 177.359 177.584 -0.025 0.000 1.165 125 A CA -0.807 51.214 52.037 -0.026 0.000 0.813 125 A CB 0.353 19.331 19.000 -0.035 0.000 1.197 125 A HN 0.501 nan 8.150 nan 0.000 0.484 126 I N 3.015 123.570 120.570 -0.024 0.000 2.291 126 I HA 0.167 4.337 4.170 -0.000 0.000 0.290 126 I C 0.279 176.359 176.117 -0.063 0.000 1.050 126 I CA 0.260 61.538 61.300 -0.037 0.000 1.245 126 I CB 0.746 38.726 38.000 -0.033 0.000 1.405 126 I HN 0.626 nan 8.210 nan 0.000 0.478 127 L N 5.132 126.309 121.223 -0.076 0.000 2.766 127 L HA 0.244 4.583 4.340 -0.000 0.000 0.242 127 L C 0.578 177.359 176.870 -0.147 0.000 1.136 127 L CA 0.039 54.800 54.840 -0.132 0.000 0.933 127 L CB -0.094 41.895 42.059 -0.117 0.000 1.241 127 L HN 0.645 nan 8.230 nan 0.000 0.522 128 T N -4.870 109.624 114.554 -0.100 0.000 2.896 128 T HA 0.370 4.720 4.350 -0.000 0.000 0.297 128 T C 0.680 175.331 174.700 -0.081 0.000 1.108 128 T CA -0.711 61.335 62.100 -0.090 0.000 1.004 128 T CB 2.181 71.018 68.868 -0.052 0.000 1.159 128 T HN -0.267 nan 8.240 nan 0.000 0.499 129 L N 1.597 122.773 121.223 -0.078 0.000 2.021 129 L HA -0.058 4.282 4.340 -0.000 0.000 0.215 129 L C 2.067 178.894 176.870 -0.072 0.000 1.074 129 L CA 2.120 56.913 54.840 -0.078 0.000 0.760 129 L CB -1.466 40.550 42.059 -0.071 0.000 0.889 129 L HN 0.839 nan 8.230 nan 0.000 0.433 130 D N -1.748 118.618 120.400 -0.056 0.000 2.117 130 D HA -0.189 4.451 4.640 -0.000 0.000 0.198 130 D C 2.152 178.422 176.300 -0.050 0.000 0.982 130 D CA 0.860 54.829 54.000 -0.052 0.000 0.828 130 D CB -0.225 40.553 40.800 -0.036 0.000 0.967 130 D HN 0.382 nan 8.370 nan 0.000 0.464 131 Q N 0.411 120.183 119.800 -0.046 0.000 2.077 131 Q HA -0.178 4.161 4.340 -0.000 0.000 0.206 131 Q C 2.306 178.277 176.000 -0.049 0.000 0.989 131 Q CA 1.650 57.428 55.803 -0.042 0.000 0.853 131 Q CB -0.265 28.449 28.738 -0.039 0.000 0.907 131 Q HN 0.352 nan 8.270 nan 0.000 0.418 132 A N 0.566 123.350 122.820 -0.060 0.000 1.858 132 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 132 A C 2.019 179.565 177.584 -0.063 0.000 1.190 132 A CA 1.244 53.242 52.037 -0.064 0.000 0.617 132 A CB -0.764 18.192 19.000 -0.074 0.000 0.827 132 A HN 0.306 nan 8.150 nan 0.000 0.443 133 L N -0.194 120.984 121.223 -0.075 0.000 2.013 133 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 133 L C 2.935 179.769 176.870 -0.060 0.000 1.073 133 L CA 2.168 56.956 54.840 -0.086 0.000 0.753 133 L CB -1.085 40.905 42.059 -0.114 0.000 0.890 133 L HN 0.430 nan 8.230 nan 0.000 0.432 134 A N -0.938 121.852 122.820 -0.050 0.000 1.892 134 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 134 A C 2.173 179.739 177.584 -0.029 0.000 1.188 134 A CA 2.106 54.122 52.037 -0.035 0.000 0.631 134 A CB -1.033 17.948 19.000 -0.031 0.000 0.822 134 A HN 0.483 nan 8.150 nan 0.000 0.447 135 A N -1.517 121.283 122.820 -0.033 0.000 2.278 135 A HA 0.346 4.666 4.320 -0.000 0.000 0.212 135 A C 0.671 178.237 177.584 -0.029 0.000 1.213 135 A CA 0.968 52.989 52.037 -0.028 0.000 0.840 135 A CB -0.531 18.452 19.000 -0.029 0.000 0.866 135 A HN 0.605 nan 8.150 nan 0.000 0.489 136 D N -0.491 119.891 120.400 -0.030 0.000 2.686 136 D HA -0.169 4.471 4.640 -0.000 0.000 0.235 136 D C 0.071 176.344 176.300 -0.044 0.000 1.160 136 D CA 1.077 55.062 54.000 -0.025 0.000 0.645 136 D CB -1.323 39.469 40.800 -0.012 0.000 1.039 136 D HN 0.328 nan 8.370 nan 0.000 0.423 137 S N 0.682 116.343 115.700 -0.064 0.000 2.411 137 S HA 0.472 4.941 4.470 -0.000 0.000 0.304 137 S C 0.162 174.669 174.600 -0.156 0.000 1.098 137 S CA -0.376 57.760 58.200 -0.107 0.000 1.068 137 S CB 0.177 63.318 63.200 -0.099 0.000 1.032 137 S HN 0.463 nan 8.310 nan 0.000 0.511 138 R N 2.965 123.342 120.500 -0.204 0.000 2.781 138 R HA 0.546 4.886 4.340 -0.000 0.000 0.268 138 R C -1.656 174.453 176.300 -0.317 0.000 1.047 138 R CA -0.891 55.076 56.100 -0.222 0.000 0.925 138 R CB 0.596 30.871 30.300 -0.041 0.000 1.246 138 R HN 0.442 nan 8.270 nan 0.000 0.456 139 F N 0.428 120.380 119.950 0.003 0.000 2.522 139 F HA 0.326 4.852 4.527 -0.000 0.000 0.324 139 F C 0.188 175.983 175.800 -0.009 0.000 1.077 139 F CA -0.448 57.548 58.000 -0.007 0.000 0.944 139 F CB 2.011 41.001 39.000 -0.016 0.000 1.175 139 F HN 0.805 nan 8.300 nan 0.000 0.468 140 E N 0.564 120.893 120.200 0.214 0.000 2.957 140 E HA -0.199 4.151 4.350 -0.000 0.000 0.287 140 E C 0.900 177.538 176.600 0.064 0.000 0.976 140 E CA 0.354 56.817 56.400 0.105 0.000 0.907 140 E CB -1.832 27.914 29.700 0.077 0.000 1.456 140 E HN 1.144 nan 8.360 nan 0.000 0.421 141 G N -0.307 108.528 108.800 0.059 0.000 2.402 141 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.300 141 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.300 141 G C 0.551 175.466 174.900 0.025 0.000 0.987 141 G CA 1.104 46.224 45.100 0.033 0.000 0.881 141 G HN 1.290 nan 8.290 nan 0.000 0.512 142 G N -1.690 107.124 108.800 0.024 0.000 2.345 142 G HA2 0.525 4.485 3.960 -0.000 0.000 0.310 142 G HA3 0.525 4.485 3.960 -0.000 0.000 0.310 142 G C -2.889 171.991 174.900 -0.033 0.000 1.476 142 G CA -0.102 45.004 45.100 0.010 0.000 0.978 142 G HN 0.568 nan 8.290 nan 0.000 0.656 143 P HA 0.562 nan 4.420 nan 0.000 0.276 143 P C -0.495 176.683 177.300 -0.203 0.000 1.261 143 P CA -0.385 62.529 63.100 -0.311 0.000 0.800 143 P CB 1.619 32.853 31.700 -0.776 0.000 1.066 144 V N 2.046 121.824 119.914 -0.226 0.000 2.417 144 V HA 0.373 4.493 4.120 -0.000 0.000 0.291 144 V C 0.417 176.376 176.094 -0.225 0.000 1.024 144 V CA -0.479 61.721 62.300 -0.167 0.000 0.861 144 V CB 1.093 32.795 31.823 -0.202 0.000 0.985 144 V HN 0.362 nan 8.190 nan 0.000 0.436 145 I N 4.411 124.931 120.570 -0.083 0.000 2.465 145 I HA 0.534 4.704 4.170 -0.000 0.000 0.291 145 I C -1.123 175.134 176.117 0.233 0.000 1.014 145 I CA -0.328 60.958 61.300 -0.024 0.000 1.093 145 I CB 1.987 40.005 38.000 0.029 0.000 1.267 145 I HN 0.484 nan 8.210 nan 0.000 0.431 146 W N 4.563 125.912 121.300 0.082 0.000 2.936 146 W HA 0.821 5.481 4.660 -0.000 0.000 0.338 146 W C -0.559 176.037 176.519 0.128 0.000 1.121 146 W CA -1.558 55.861 57.345 0.124 0.000 1.209 146 W CB 1.860 31.439 29.460 0.198 0.000 1.420 146 W HN 0.450 nan 8.180 nan 0.000 0.516 147 A N 2.738 125.779 122.820 0.368 0.000 2.513 147 A HA 0.688 5.008 4.320 -0.000 0.000 0.296 147 A C -1.400 176.306 177.584 0.204 0.000 1.052 147 A CA -0.835 51.344 52.037 0.237 0.000 0.714 147 A CB 1.935 21.033 19.000 0.165 0.000 1.279 147 A HN 0.560 nan 8.150 nan 0.000 0.397 148 R N 2.234 122.847 120.500 0.187 0.000 2.480 148 R HA 0.613 4.953 4.340 -0.000 0.000 0.306 148 R C 0.459 176.822 176.300 0.106 0.000 0.958 148 R CA 0.778 56.971 56.100 0.155 0.000 0.861 148 R CB 1.369 31.788 30.300 0.198 0.000 1.171 148 R HN 2.541 nan 8.270 nan 0.000 0.445 149 G N 2.895 111.746 108.800 0.085 0.000 2.693 149 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.226 149 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.226 149 G C -1.162 173.771 174.900 0.054 0.000 1.354 149 G CA 0.049 45.186 45.100 0.063 0.000 0.873 149 G HN 0.641 nan 8.290 nan 0.000 0.562 150 D N 0.225 120.648 120.400 0.038 0.000 2.446 150 D HA 0.490 5.130 4.640 -0.000 0.000 0.251 150 D C 1.781 178.091 176.300 0.016 0.000 1.137 150 D CA 0.184 54.202 54.000 0.030 0.000 0.890 150 D CB 0.913 41.729 40.800 0.025 0.000 1.071 150 D HN 0.720 nan 8.370 nan 0.000 0.528 151 V N 2.679 122.602 119.914 0.014 0.000 2.295 151 V HA -0.182 3.938 4.120 -0.000 0.000 0.246 151 V C 2.094 178.180 176.094 -0.013 0.000 1.049 151 V CA 1.125 63.422 62.300 -0.006 0.000 1.024 151 V CB -0.578 31.240 31.823 -0.008 0.000 0.648 151 V HN 0.414 nan 8.190 nan 0.000 0.447 152 E N 1.047 121.244 120.200 -0.005 0.000 2.023 152 E HA -0.211 4.139 4.350 -0.000 0.000 0.196 152 E C 2.349 178.942 176.600 -0.011 0.000 1.003 152 E CA 2.224 58.618 56.400 -0.010 0.000 0.809 152 E CB -1.042 28.657 29.700 -0.003 0.000 0.755 152 E HN 0.674 nan 8.360 nan 0.000 0.449 153 T N 1.908 116.460 114.554 -0.004 0.000 2.624 153 T HA -0.234 4.116 4.350 -0.000 0.000 0.268 153 T C 2.026 176.720 174.700 -0.010 0.000 1.041 153 T CA 2.116 64.214 62.100 -0.004 0.000 1.159 153 T CB -0.469 68.401 68.868 0.003 0.000 0.863 153 T HN 0.364 nan 8.240 nan 0.000 0.434 154 A N 1.304 124.117 122.820 -0.011 0.000 1.851 154 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 154 A C 2.375 179.942 177.584 -0.029 0.000 1.195 154 A CA 1.664 53.690 52.037 -0.019 0.000 0.622 154 A CB -1.026 17.961 19.000 -0.023 0.000 0.831 154 A HN 0.499 nan 8.150 nan 0.000 0.444 155 L N -0.714 120.487 121.223 -0.037 0.000 2.012 155 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 155 L C 3.097 179.942 176.870 -0.043 0.000 1.073 155 L CA 1.129 55.942 54.840 -0.046 0.000 0.748 155 L CB -0.792 41.234 42.059 -0.054 0.000 0.891 155 L HN 0.439 nan 8.230 nan 0.000 0.431 156 A N 0.525 123.324 122.820 -0.035 0.000 1.940 156 A HA -0.214 4.106 4.320 -0.000 0.000 0.221 156 A C 2.068 179.630 177.584 -0.035 0.000 1.190 156 A CA 2.068 54.086 52.037 -0.032 0.000 0.647 156 A CB -1.254 17.732 19.000 -0.023 0.000 0.821 156 A HN 0.489 nan 8.150 nan 0.000 0.457 157 G N -1.274 107.507 108.800 -0.032 0.000 3.518 157 G HA2 0.475 4.435 3.960 -0.000 0.000 0.273 157 G HA3 0.475 4.435 3.960 -0.000 0.000 0.273 157 G C 0.230 175.104 174.900 -0.042 0.000 1.199 157 G CA 0.522 45.602 45.100 -0.034 0.000 0.899 157 G HN 0.783 nan 8.290 nan 0.000 0.533 158 A N 0.049 122.838 122.820 -0.052 0.000 2.301 158 A HA 0.703 5.023 4.320 -0.000 0.000 0.298 158 A C 1.529 179.052 177.584 -0.102 0.000 1.185 158 A CA 0.231 52.233 52.037 -0.058 0.000 0.830 158 A CB 1.046 20.018 19.000 -0.047 0.000 1.112 158 A HN 0.666 nan 8.150 nan 0.000 0.508 159 A N 2.102 124.850 122.820 -0.121 0.000 2.032 159 A HA 0.020 4.340 4.320 -0.000 0.000 0.221 159 A C 0.784 178.023 177.584 -0.575 0.000 1.165 159 A CA 1.796 53.658 52.037 -0.292 0.000 0.645 159 A CB -0.476 18.381 19.000 -0.238 0.000 0.807 159 A HN 0.927 nan 8.150 nan 0.000 0.453 160 H N -3.845 115.187 119.070 -0.063 0.000 2.961 160 H HA 0.739 5.295 4.556 -0.000 0.000 0.371 160 H C -1.265 174.004 175.328 -0.098 0.000 1.190 160 H CA -0.601 55.399 56.048 -0.080 0.000 1.138 160 H CB 1.768 31.482 29.762 -0.082 0.000 1.816 160 H HN 0.212 nan 8.280 nan 0.000 0.551 161 L N 1.047 122.282 121.223 0.020 0.000 2.556 161 L HA 0.816 5.156 4.340 -0.000 0.000 0.257 161 L C -1.617 175.163 176.870 -0.151 0.000 0.955 161 L CA -0.316 54.481 54.840 -0.072 0.000 0.850 161 L CB 2.049 44.060 42.059 -0.081 0.000 1.398 161 L HN 0.830 nan 8.230 nan 0.000 0.412 162 A N 2.955 125.660 122.820 -0.192 0.000 2.408 162 A HA 0.788 5.108 4.320 -0.000 0.000 0.295 162 A C -1.521 175.936 177.584 -0.212 0.000 1.040 162 A CA -0.577 51.255 52.037 -0.342 0.000 0.707 162 A CB 1.373 20.065 19.000 -0.514 0.000 1.235 162 A HN 0.606 nan 8.150 nan 0.000 0.418 163 E N 1.078 121.109 120.200 -0.282 0.000 2.212 163 E HA 0.707 5.057 4.350 -0.000 0.000 0.268 163 E C -0.077 176.316 176.600 -0.344 0.000 0.902 163 E CA -0.911 55.333 56.400 -0.260 0.000 0.779 163 E CB 2.548 32.140 29.700 -0.179 0.000 1.172 163 E HN 0.967 nan 8.360 nan 0.000 0.409 164 G N 0.089 108.431 108.800 -0.762 0.000 2.601 164 G HA2 0.463 4.423 3.960 -0.000 0.000 0.291 164 G HA3 0.463 4.423 3.960 -0.000 0.000 0.291 164 G C -1.739 172.687 174.900 -0.789 0.000 1.456 164 G CA -0.509 44.241 45.100 -0.583 0.000 0.804 164 G HN 0.624 nan 8.290 nan 0.000 0.499 165 C N 0.820 120.081 119.300 -0.065 0.000 2.782 165 C HA 0.940 5.400 4.460 -0.000 0.000 0.328 165 C C -1.301 173.965 174.990 0.460 0.000 1.145 165 C CA -1.110 57.998 59.018 0.151 0.000 1.358 165 C CB -0.130 27.667 27.740 0.094 0.000 1.841 165 C HN 1.438 nan 8.230 nan 0.000 0.477 166 F N 3.419 123.516 119.950 0.246 0.000 2.668 166 F HA 0.769 5.296 4.527 -0.000 0.000 0.309 166 F C -0.761 175.139 175.800 0.166 0.000 1.117 166 F CA -0.682 57.448 58.000 0.217 0.000 0.951 166 F CB 1.150 40.314 39.000 0.274 0.000 1.323 166 F HN 0.504 nan 8.300 nan 0.000 0.451 167 E N 2.883 123.071 120.200 -0.020 0.000 2.248 167 E HA 0.541 4.890 4.350 -0.000 0.000 0.272 167 E C -0.849 175.576 176.600 -0.292 0.000 1.008 167 E CA -0.666 55.643 56.400 -0.152 0.000 0.856 167 E CB 2.780 32.474 29.700 -0.010 0.000 1.120 167 E HN 0.615 nan 8.360 nan 0.000 0.397 168 I N 0.984 121.420 120.570 -0.224 0.000 2.447 168 I HA 0.285 4.455 4.170 -0.000 0.000 0.287 168 I C 0.475 176.583 176.117 -0.016 0.000 1.023 168 I CA -0.819 60.350 61.300 -0.218 0.000 1.083 168 I CB 2.042 39.919 38.000 -0.204 0.000 1.245 168 I HN 0.443 nan 8.210 nan 0.000 0.434 169 G N 3.574 112.353 108.800 -0.035 0.000 2.507 169 G HA2 0.521 4.481 3.960 -0.000 0.000 0.271 169 G HA3 0.521 4.481 3.960 -0.000 0.000 0.271 169 G C 0.379 175.474 174.900 0.326 0.000 1.189 169 G CA -0.213 44.962 45.100 0.124 0.000 0.859 169 G HN 0.727 nan 8.290 nan 0.000 0.542 170 G N -1.282 107.694 108.800 0.293 0.000 2.468 170 G HA2 0.480 4.440 3.960 -0.000 0.000 0.264 170 G HA3 0.480 4.440 3.960 -0.000 0.000 0.264 170 G C -0.178 174.886 174.900 0.274 0.000 1.460 170 G CA -0.113 45.148 45.100 0.269 0.000 1.060 170 G HN 0.778 nan 8.290 nan 0.000 0.543 171 Q N -1.401 118.461 119.800 0.102 0.000 2.443 171 Q HA 0.319 4.659 4.340 -0.000 0.000 0.258 171 Q C -1.815 174.231 176.000 0.077 0.000 0.967 171 Q CA -0.679 55.178 55.803 0.089 0.000 0.951 171 Q CB 1.903 30.438 28.738 -0.340 0.000 1.459 171 Q HN 0.514 nan 8.270 nan 0.000 0.415 172 E N 1.951 122.176 120.200 0.042 0.000 2.200 172 E HA 0.196 4.546 4.350 -0.000 0.000 0.283 172 E C -0.235 176.395 176.600 0.051 0.000 1.015 172 E CA 0.298 56.590 56.400 -0.179 0.000 0.819 172 E CB 0.666 29.899 29.700 -0.779 0.000 1.081 172 E HN 0.724 nan 8.360 nan 0.000 0.397 173 H N 4.067 123.102 119.070 -0.057 0.000 2.321 173 H HA -0.129 4.426 4.556 -0.000 0.000 0.295 173 H C 0.123 175.312 175.328 -0.232 0.000 1.102 173 H CA 1.815 57.622 56.048 -0.402 0.000 1.266 173 H CB -0.268 29.110 29.762 -0.641 0.000 1.363 173 H HN 0.645 nan 8.280 nan 0.000 0.492 174 F N 0.410 120.120 119.950 -0.402 0.000 2.943 174 F HA -0.246 4.280 4.527 -0.000 0.000 0.258 174 F C -0.796 174.875 175.800 -0.214 0.000 0.995 174 F CA -0.384 57.433 58.000 -0.305 0.000 0.896 174 F CB -1.938 37.026 39.000 -0.060 0.000 0.821 174 F HN 0.157 nan 8.300 nan 0.000 0.828 175 Y N 0.541 120.851 120.300 0.018 0.000 2.650 175 Y HA 0.179 4.729 4.550 -0.000 0.000 0.331 175 Y C 1.197 176.988 175.900 -0.182 0.000 1.165 175 Y CA -1.216 56.914 58.100 0.050 0.000 1.473 175 Y CB -0.050 38.439 38.460 0.048 0.000 1.224 175 Y HN 0.139 nan 8.280 nan 0.000 0.533 176 L N 1.427 122.653 121.223 0.005 0.000 2.021 176 L HA -0.199 4.141 4.340 -0.000 0.000 0.215 176 L C 1.328 178.123 176.870 -0.125 0.000 1.074 176 L CA 1.666 56.435 54.840 -0.119 0.000 0.760 176 L CB -0.804 41.214 42.059 -0.069 0.000 0.889 176 L HN 0.862 nan 8.230 nan 0.000 0.433 177 E N -0.061 120.061 120.200 -0.131 0.000 2.289 177 E HA 0.318 4.668 4.350 -0.000 0.000 0.278 177 E C 0.222 176.777 176.600 -0.074 0.000 1.032 177 E CA -0.087 56.214 56.400 -0.166 0.000 0.854 177 E CB 1.128 30.665 29.700 -0.272 0.000 1.046 177 E HN 0.222 nan 8.360 nan 0.000 0.409 178 G N 3.103 111.875 108.800 -0.046 0.000 2.621 178 G HA2 0.038 3.998 3.960 -0.000 0.000 0.271 178 G HA3 0.038 3.998 3.960 -0.000 0.000 0.271 178 G C -0.138 174.653 174.900 -0.182 0.000 1.236 178 G CA -0.522 44.581 45.100 0.004 0.000 0.958 178 G HN 0.557 nan 8.290 nan 0.000 0.512 179 Q N -0.846 118.840 119.800 -0.190 0.000 2.386 179 Q HA 0.435 4.775 4.340 -0.000 0.000 0.282 179 Q C 0.105 175.908 176.000 -0.327 0.000 1.050 179 Q CA 0.769 56.371 55.803 -0.334 0.000 0.918 179 Q CB 1.225 29.737 28.738 -0.377 0.000 1.266 179 Q HN 0.844 nan 8.270 nan 0.000 0.423 180 A N 0.015 122.662 122.820 -0.287 0.000 2.586 180 A HA 0.723 5.043 4.320 -0.000 0.000 0.296 180 A C -1.748 175.747 177.584 -0.149 0.000 1.040 180 A CA 0.072 51.981 52.037 -0.214 0.000 0.701 180 A CB 0.978 19.893 19.000 -0.141 0.000 1.277 180 A HN 0.824 nan 8.150 nan 0.000 0.413 181 A N -0.049 122.699 122.820 -0.120 0.000 2.564 181 A HA 1.021 5.341 4.320 -0.000 0.000 0.291 181 A C -1.802 175.747 177.584 -0.058 0.000 1.102 181 A CA 0.056 52.048 52.037 -0.074 0.000 0.660 181 A CB 1.218 20.170 19.000 -0.080 0.000 1.283 181 A HN 2.572 nan 8.150 nan 0.000 0.430 182 L N -0.962 120.248 121.223 -0.023 0.000 2.591 182 L HA 0.855 5.194 4.340 -0.000 0.000 0.257 182 L C -1.009 175.872 176.870 0.018 0.000 0.935 182 L CA 0.469 55.300 54.840 -0.016 0.000 0.873 182 L CB 1.740 43.798 42.059 -0.003 0.000 1.397 182 L HN 2.040 nan 8.230 nan 0.000 0.414 183 A N 4.736 127.555 122.820 -0.001 0.000 2.427 183 A HA 0.847 5.167 4.320 -0.000 0.000 0.298 183 A C -1.859 175.730 177.584 0.008 0.000 1.036 183 A CA -0.429 51.609 52.037 0.002 0.000 0.701 183 A CB 1.441 20.426 19.000 -0.025 0.000 1.250 183 A HN 0.705 nan 8.150 nan 0.000 0.412 184 L N 3.977 125.213 121.223 0.023 0.000 2.342 184 L HA 0.437 4.777 4.340 -0.000 0.000 0.276 184 L C -2.258 174.619 176.870 0.012 0.000 0.997 184 L CA -2.001 52.852 54.840 0.022 0.000 0.838 184 L CB 2.061 44.148 42.059 0.047 0.000 1.224 184 L HN 0.499 nan 8.230 nan 0.000 0.416 185 P HA 0.052 nan 4.420 nan 0.000 0.265 185 P C -0.630 176.675 177.300 0.009 0.000 1.187 185 P CA -0.124 62.982 63.100 0.010 0.000 0.766 185 P CB 1.270 32.978 31.700 0.015 0.000 0.820 186 A N 2.928 125.752 122.820 0.006 0.000 3.007 186 A HA 0.290 4.610 4.320 -0.000 0.000 0.314 186 A C 0.166 177.751 177.584 0.001 0.000 1.153 186 A CA -0.620 51.419 52.037 0.003 0.000 0.780 186 A CB -0.205 18.795 19.000 -0.000 0.000 1.258 186 A HN 0.667 nan 8.150 nan 0.000 0.460 187 E N 0.806 121.008 120.200 0.004 0.000 1.839 187 E HA -0.160 4.190 4.350 -0.000 0.000 0.229 187 E C 0.934 177.535 176.600 0.002 0.000 1.512 187 E CA 0.972 57.374 56.400 0.003 0.000 0.767 187 E CB -1.585 28.114 29.700 -0.001 0.000 0.942 187 E HN 2.290 nan 8.360 nan 0.000 0.301 188 G N 1.366 110.171 108.800 0.009 0.000 2.317 188 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.227 188 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.227 188 G C 0.534 175.443 174.900 0.015 0.000 1.042 188 G CA 0.135 45.242 45.100 0.012 0.000 0.623 188 G HN 1.378 nan 8.290 nan 0.000 0.509 189 G N -1.337 107.468 108.800 0.009 0.000 3.222 189 G HA2 0.882 4.842 3.960 -0.000 0.000 0.263 189 G HA3 0.882 4.842 3.960 -0.000 0.000 0.263 189 G C -0.616 174.284 174.900 0.000 0.000 1.312 189 G CA 0.567 45.672 45.100 0.009 0.000 0.934 189 G HN 1.420 nan 8.290 nan 0.000 0.577 190 V N -2.322 117.586 119.914 -0.010 0.000 3.141 190 V HA 0.842 4.962 4.120 -0.000 0.000 0.312 190 V C -0.778 175.294 176.094 -0.036 0.000 1.157 190 V CA -1.031 61.258 62.300 -0.018 0.000 1.041 190 V CB 1.550 33.359 31.823 -0.024 0.000 1.071 190 V HN 0.576 nan 8.190 nan 0.000 0.441 191 V N 2.588 122.477 119.914 -0.041 0.000 2.531 191 V HA 0.539 4.659 4.120 -0.000 0.000 0.301 191 V C -0.822 175.207 176.094 -0.108 0.000 1.034 191 V CA -0.339 61.909 62.300 -0.086 0.000 0.865 191 V CB 1.647 33.428 31.823 -0.069 0.000 0.995 191 V HN 0.654 nan 8.190 nan 0.000 0.424 192 I N 4.343 124.808 120.570 -0.176 0.000 2.404 192 I HA 0.510 4.680 4.170 -0.000 0.000 0.293 192 I C -0.091 175.859 176.117 -0.278 0.000 0.992 192 I CA -0.465 60.747 61.300 -0.146 0.000 1.149 192 I CB 1.540 39.476 38.000 -0.107 0.000 1.315 192 I HN 0.566 nan 8.210 nan 0.000 0.446 193 H N 4.865 123.906 119.070 -0.048 0.000 2.469 193 H HA 0.641 5.197 4.556 -0.000 0.000 0.342 193 H C -0.369 174.926 175.328 -0.055 0.000 1.115 193 H CA -0.302 55.718 56.048 -0.046 0.000 1.204 193 H CB 2.540 32.277 29.762 -0.043 0.000 1.492 193 H HN 0.836 nan 8.280 nan 0.000 0.499 194 C N 0.319 119.641 119.300 0.037 0.000 3.314 194 C HA 0.449 4.909 4.460 -0.000 0.000 0.344 194 C C 0.392 175.366 174.990 -0.028 0.000 1.461 194 C CA -1.100 57.910 59.018 -0.013 0.000 1.249 194 C CB 1.325 29.037 27.740 -0.048 0.000 1.632 194 C HN 0.695 nan 8.230 nan 0.000 0.452 195 S N 1.263 116.922 115.700 -0.069 0.000 2.891 195 S HA 0.607 5.077 4.470 -0.000 0.000 0.186 195 S C -0.183 174.344 174.600 -0.122 0.000 1.401 195 S CA 0.260 58.408 58.200 -0.087 0.000 1.035 195 S CB -0.839 62.286 63.200 -0.125 0.000 1.293 195 S HN 1.449 nan 8.310 nan 0.000 0.493 196 S N 2.587 118.237 115.700 -0.083 0.000 2.568 196 S HA 0.431 4.901 4.470 -0.000 0.000 0.293 196 S C 0.504 175.072 174.600 -0.054 0.000 1.089 196 S CA -0.615 57.538 58.200 -0.079 0.000 0.945 196 S CB 1.659 64.830 63.200 -0.048 0.000 1.077 196 S HN 0.620 nan 8.310 nan 0.000 0.485 197 Q N 1.008 120.779 119.800 -0.049 0.000 2.444 197 Q HA 0.120 4.460 4.340 -0.000 0.000 0.206 197 Q C -0.086 175.937 176.000 0.039 0.000 0.948 197 Q CA 0.483 56.263 55.803 -0.038 0.000 0.946 197 Q CB 0.000 28.700 28.738 -0.064 0.000 1.027 197 Q HN 0.793 nan 8.270 nan 0.000 0.513 198 H N 0.038 119.074 119.070 -0.056 0.000 2.514 198 H HA 0.127 4.683 4.556 -0.000 0.000 0.226 198 H C -1.984 173.309 175.328 -0.057 0.000 1.421 198 H CA -2.107 53.913 56.048 -0.046 0.000 1.394 198 H CB 1.081 30.820 29.762 -0.039 0.000 1.701 198 H HN -0.002 nan 8.280 nan 0.000 0.515 199 P HA -0.166 nan 4.420 nan 0.000 0.215 199 P C 1.570 178.843 177.300 -0.045 0.000 1.157 199 P CA 1.113 64.210 63.100 -0.005 0.000 0.868 199 P CB 0.388 32.083 31.700 -0.009 0.000 0.788 200 S N -0.118 115.601 115.700 0.031 0.000 2.402 200 S HA -0.213 4.257 4.470 -0.000 0.000 0.233 200 S C 2.034 176.497 174.600 -0.229 0.000 1.030 200 S CA 1.630 59.800 58.200 -0.050 0.000 1.003 200 S CB -0.696 62.539 63.200 0.058 0.000 0.813 200 S HN 0.394 nan 8.310 nan 0.000 0.477 201 E N 0.892 120.779 120.200 -0.522 0.000 2.028 201 E HA -0.086 4.264 4.350 -0.000 0.000 0.190 201 E C 1.940 178.343 176.600 -0.327 0.000 0.984 201 E CA 0.933 56.963 56.400 -0.618 0.000 0.800 201 E CB -0.125 28.933 29.700 -1.070 0.000 0.758 201 E HN 0.271 nan 8.360 nan 0.000 0.448 202 I N 1.628 122.050 120.570 -0.246 0.000 2.181 202 I HA -0.375 3.795 4.170 -0.000 0.000 0.247 202 I C 2.618 178.637 176.117 -0.163 0.000 1.081 202 I CA 1.723 62.931 61.300 -0.153 0.000 1.340 202 I CB -1.426 36.507 38.000 -0.111 0.000 1.036 202 I HN 0.449 nan 8.210 nan 0.000 0.417 203 Q N 0.387 120.070 119.800 -0.194 0.000 1.978 203 Q HA -0.327 4.012 4.340 -0.000 0.000 0.211 203 Q C 2.382 178.164 176.000 -0.363 0.000 1.013 203 Q CA 2.580 58.230 55.803 -0.255 0.000 0.869 203 Q CB -0.400 28.171 28.738 -0.278 0.000 0.953 203 Q HN 0.665 nan 8.270 nan 0.000 0.415 204 H N -0.270 118.441 119.070 -0.599 0.000 2.289 204 H HA -0.141 4.415 4.556 -0.000 0.000 0.296 204 H C 1.954 177.061 175.328 -0.367 0.000 1.091 204 H CA 1.984 57.590 56.048 -0.737 0.000 1.274 204 H CB 0.212 29.691 29.762 -0.471 0.000 1.364 204 H HN 0.118 nan 8.280 nan 0.000 0.490 205 K N 0.059 120.486 120.400 0.046 0.000 2.097 205 K HA -0.075 4.245 4.320 -0.000 0.000 0.205 205 K C 2.312 178.927 176.600 0.024 0.000 1.050 205 K CA 1.090 57.438 56.287 0.101 0.000 0.938 205 K CB -0.175 32.330 32.500 0.008 0.000 0.718 205 K HN 0.240 nan 8.250 nan 0.000 0.442 206 V N 1.639 121.519 119.914 -0.057 0.000 2.427 206 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 206 V C 2.450 178.511 176.094 -0.055 0.000 1.051 206 V CA 1.860 64.131 62.300 -0.049 0.000 1.048 206 V CB -0.603 31.177 31.823 -0.072 0.000 0.666 206 V HN 0.294 nan 8.190 nan 0.000 0.456 207 A N -0.855 121.884 122.820 -0.136 0.000 1.898 207 A HA -0.255 4.065 4.320 -0.000 0.000 0.216 207 A C 1.980 179.516 177.584 -0.079 0.000 1.181 207 A CA 1.998 53.958 52.037 -0.127 0.000 0.620 207 A CB -0.834 18.066 19.000 -0.166 0.000 0.819 207 A HN 0.700 nan 8.150 nan 0.000 0.442 208 H N -0.855 118.228 119.070 0.022 0.000 2.423 208 H HA 0.076 4.632 4.556 -0.000 0.000 0.297 208 H C 2.356 177.699 175.328 0.024 0.000 1.075 208 H CA 0.847 56.911 56.048 0.026 0.000 1.342 208 H CB 0.065 29.865 29.762 0.063 0.000 1.395 208 H HN 0.557 nan 8.280 nan 0.000 0.530 209 A N 0.440 123.342 122.820 0.137 0.000 2.014 209 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 209 A C 1.945 179.602 177.584 0.121 0.000 1.163 209 A CA 0.917 53.029 52.037 0.124 0.000 0.652 209 A CB -0.115 18.932 19.000 0.079 0.000 0.808 209 A HN 0.340 nan 8.150 nan 0.000 0.449 210 L N -1.537 119.713 121.223 0.044 0.000 2.640 210 L HA 0.228 4.568 4.340 -0.000 0.000 0.230 210 L C 1.424 178.179 176.870 -0.191 0.000 1.123 210 L CA 0.550 55.405 54.840 0.026 0.000 0.900 210 L CB -0.111 41.950 42.059 0.003 0.000 1.146 210 L HN 0.564 nan 8.230 nan 0.000 0.484 211 G N 1.449 110.039 108.800 -0.350 0.000 2.182 211 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.248 211 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.248 211 G C -0.148 174.589 174.900 -0.272 0.000 1.042 211 G CA 0.024 44.732 45.100 -0.654 0.000 0.775 211 G HN 0.243 nan 8.290 nan 0.000 0.501 212 L N -0.335 120.805 121.223 -0.138 0.000 2.333 212 L HA 0.834 5.174 4.340 -0.000 0.000 0.269 212 L C 0.955 177.790 176.870 -0.057 0.000 1.010 212 L CA -0.813 53.986 54.840 -0.068 0.000 0.818 212 L CB 1.849 43.893 42.059 -0.024 0.000 1.306 212 L HN 0.299 nan 8.230 nan 0.000 0.430 213 A N 0.805 123.574 122.820 -0.085 0.000 2.366 213 A HA 0.273 4.593 4.320 -0.000 0.000 0.249 213 A C 0.742 178.346 177.584 0.033 0.000 1.084 213 A CA -0.136 51.784 52.037 -0.195 0.000 0.794 213 A CB 0.032 18.741 19.000 -0.485 0.000 1.034 213 A HN 0.619 nan 8.150 nan 0.000 0.491 214 F N 0.769 120.556 119.950 -0.272 0.000 2.192 214 F HA -0.207 4.320 4.527 -0.000 0.000 0.301 214 F C 2.299 178.073 175.800 -0.044 0.000 1.079 214 F CA 2.058 59.952 58.000 -0.178 0.000 1.303 214 F CB -1.353 37.543 39.000 -0.173 0.000 1.024 214 F HN 0.891 nan 8.300 nan 0.000 0.494 215 H N -2.218 116.917 119.070 0.108 0.000 2.559 215 H HA 0.009 4.565 4.556 -0.000 0.000 0.273 215 H C 0.215 175.551 175.328 0.014 0.000 1.000 215 H CA 0.745 56.819 56.048 0.043 0.000 1.195 215 H CB -0.253 29.518 29.762 0.016 0.000 1.368 215 H HN 0.101 nan 8.280 nan 0.000 0.592 216 D N 1.619 122.204 120.400 0.307 0.000 2.427 216 D HA 0.179 4.819 4.640 -0.000 0.000 0.224 216 D C -0.517 175.816 176.300 0.054 0.000 1.157 216 D CA 0.069 54.154 54.000 0.143 0.000 0.828 216 D CB 1.131 42.013 40.800 0.137 0.000 0.974 216 D HN 0.167 nan 8.370 nan 0.000 0.498 217 V N 1.134 121.068 119.914 0.033 0.000 2.567 217 V HA 0.279 4.399 4.120 -0.000 0.000 0.298 217 V C -0.180 175.883 176.094 -0.053 0.000 1.047 217 V CA -0.930 61.352 62.300 -0.029 0.000 0.880 217 V CB 2.844 34.626 31.823 -0.067 0.000 1.009 217 V HN -0.069 nan 8.190 nan 0.000 0.429 218 R N 4.081 124.540 120.500 -0.068 0.000 2.343 218 R HA 0.762 5.102 4.340 -0.000 0.000 0.320 218 R C -1.711 174.509 176.300 -0.133 0.000 0.956 218 R CA -0.339 55.710 56.100 -0.085 0.000 0.836 218 R CB 1.902 32.157 30.300 -0.076 0.000 1.151 218 R HN 0.500 nan 8.270 nan 0.000 0.450 219 V N 4.424 124.259 119.914 -0.131 0.000 2.435 219 V HA 0.359 4.479 4.120 -0.000 0.000 0.290 219 V C -0.321 175.677 176.094 -0.160 0.000 1.030 219 V CA -0.590 61.616 62.300 -0.158 0.000 0.881 219 V CB 1.662 33.413 31.823 -0.119 0.000 0.983 219 V HN 0.799 nan 8.190 nan 0.000 0.445 220 E N 4.416 124.478 120.200 -0.231 0.000 2.210 220 E HA 0.666 5.016 4.350 -0.000 0.000 0.266 220 E C -0.901 175.653 176.600 -0.076 0.000 0.883 220 E CA -0.787 55.519 56.400 -0.157 0.000 0.761 220 E CB 2.439 32.023 29.700 -0.193 0.000 1.156 220 E HN 0.649 nan 8.360 nan 0.000 0.412 221 M N 2.719 122.306 119.600 -0.022 0.000 2.213 221 M HA 0.385 4.865 4.480 -0.000 0.000 0.286 221 M C -0.456 175.864 176.300 0.033 0.000 1.008 221 M CA -0.351 54.957 55.300 0.013 0.000 0.937 221 M CB 1.730 34.325 32.600 -0.008 0.000 1.600 221 M HN 0.347 nan 8.290 nan 0.000 0.450 222 R N 3.375 123.906 120.500 0.050 0.000 2.123 222 R HA 0.474 4.814 4.340 -0.000 0.000 0.209 222 R C -0.332 176.016 176.300 0.079 0.000 1.078 222 R CA 1.427 57.560 56.100 0.056 0.000 1.028 222 R CB 0.550 30.867 30.300 0.028 0.000 0.939 222 R HN 0.803 nan 8.270 nan 0.000 0.463 223 R N -1.253 119.279 120.500 0.053 0.000 2.690 223 R HA 0.427 4.767 4.340 -0.000 0.000 0.269 223 R C -1.398 174.961 176.300 0.099 0.000 1.037 223 R CA -0.834 55.312 56.100 0.076 0.000 0.877 223 R CB 0.984 31.326 30.300 0.070 0.000 1.255 223 R HN -0.004 nan 8.270 nan 0.000 0.467 224 M N 0.647 120.305 119.600 0.097 0.000 2.535 224 M HA 0.406 4.885 4.480 -0.000 0.000 0.314 224 M C 0.513 176.866 176.300 0.089 0.000 1.153 224 M CA -0.804 54.534 55.300 0.064 0.000 0.924 224 M CB 2.498 35.058 32.600 -0.068 0.000 1.710 224 M HN 0.978 nan 8.290 nan 0.000 0.451 225 G N 1.303 110.083 108.800 -0.033 0.000 3.471 225 G HA2 0.494 4.454 3.960 -0.000 0.000 0.254 225 G HA3 0.494 4.454 3.960 -0.000 0.000 0.254 225 G C 0.275 175.110 174.900 -0.109 0.000 1.199 225 G CA 0.266 45.240 45.100 -0.210 0.000 1.683 225 G HN 1.061 nan 8.290 nan 0.000 0.625 226 G N -1.834 106.897 108.800 -0.116 0.000 2.742 226 G HA2 0.436 4.396 3.960 -0.000 0.000 0.686 226 G HA3 0.436 4.396 3.960 -0.000 0.000 0.686 226 G C 0.343 175.115 174.900 -0.212 0.000 1.220 226 G CA -0.306 44.709 45.100 -0.140 0.000 0.783 226 G HN 1.106 nan 8.290 nan 0.000 0.646 227 G N -0.511 107.976 108.800 -0.521 0.000 2.917 227 G HA2 0.532 4.492 3.960 -0.000 0.000 0.202 227 G HA3 0.532 4.492 3.960 -0.000 0.000 0.202 227 G C 0.863 175.643 174.900 -0.198 0.000 1.302 227 G CA 0.908 45.816 45.100 -0.322 0.000 0.685 227 G HN 1.698 nan 8.290 nan 0.000 0.914 228 F N 1.102 120.996 119.950 -0.094 0.000 3.093 228 F HA -0.197 4.330 4.527 -0.000 0.000 0.283 228 F C 2.023 177.713 175.800 -0.183 0.000 0.848 228 F CA 1.114 59.038 58.000 -0.128 0.000 1.059 228 F CB -1.418 37.472 39.000 -0.184 0.000 1.191 228 F HN 1.230 nan 8.300 nan 0.000 0.514 229 G N -1.037 107.720 108.800 -0.072 0.000 2.258 229 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.233 229 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.233 229 G C 1.139 175.922 174.900 -0.195 0.000 1.006 229 G CA 0.096 45.184 45.100 -0.018 0.000 0.620 229 G HN 1.244 nan 8.290 nan 0.000 0.511 230 G N 0.001 108.358 108.800 -0.739 0.000 2.708 230 G HA2 0.221 4.180 3.960 -0.000 0.000 0.210 230 G HA3 0.221 4.180 3.960 -0.000 0.000 0.210 230 G C 1.057 175.788 174.900 -0.281 0.000 1.141 230 G CA 1.395 45.938 45.100 -0.928 0.000 0.788 230 G HN 0.539 nan 8.290 nan 0.000 0.531 231 K N -0.555 119.714 120.400 -0.219 0.000 2.619 231 K HA 0.157 4.477 4.320 -0.000 0.000 0.201 231 K C 1.181 177.743 176.600 -0.064 0.000 1.090 231 K CA -0.093 56.092 56.287 -0.170 0.000 1.063 231 K CB 0.788 33.143 32.500 -0.241 0.000 0.810 231 K HN 0.310 nan 8.250 nan 0.000 0.506 232 E N 0.775 120.967 120.200 -0.013 0.000 2.285 232 E HA -0.099 4.251 4.350 -0.000 0.000 0.194 232 E C 1.316 177.984 176.600 0.114 0.000 0.997 232 E CA 1.521 57.960 56.400 0.065 0.000 0.845 232 E CB 0.404 30.166 29.700 0.103 0.000 0.782 232 E HN 0.211 nan 8.360 nan 0.000 0.491 233 S N -1.453 114.296 115.700 0.082 0.000 2.590 233 S HA 0.011 4.481 4.470 -0.000 0.000 0.281 233 S C 1.089 175.753 174.600 0.107 0.000 1.068 233 S CA -0.609 57.645 58.200 0.089 0.000 1.193 233 S CB -0.127 63.133 63.200 0.099 0.000 1.040 233 S HN 0.140 nan 8.310 nan 0.000 0.544 234 Q N 1.805 121.662 119.800 0.095 0.000 2.408 234 Q HA 0.243 4.583 4.340 -0.000 0.000 0.214 234 Q C 1.378 177.434 176.000 0.092 0.000 0.957 234 Q CA 0.762 56.636 55.803 0.118 0.000 0.965 234 Q CB -0.440 28.345 28.738 0.077 0.000 0.991 234 Q HN 0.714 nan 8.270 nan 0.000 0.505 235 G N 1.016 109.849 108.800 0.056 0.000 2.683 235 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.213 235 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.213 235 G C 1.192 176.139 174.900 0.078 0.000 1.142 235 G CA -0.062 45.042 45.100 0.006 0.000 0.793 235 G HN 0.391 nan 8.290 nan 0.000 0.534 236 N N 0.538 119.324 118.700 0.143 0.000 2.036 236 N HA -0.181 4.559 4.740 -0.000 0.000 0.195 236 N C 1.880 177.508 175.510 0.196 0.000 1.037 236 N CA 1.457 54.579 53.050 0.119 0.000 0.855 236 N CB -0.267 38.246 38.487 0.044 0.000 1.033 236 N HN 0.328 nan 8.380 nan 0.000 0.423 237 H N 0.654 119.803 119.070 0.131 0.000 2.387 237 H HA -0.057 4.499 4.556 -0.000 0.000 0.299 237 H C 2.039 177.503 175.328 0.227 0.000 1.099 237 H CA 0.760 56.947 56.048 0.231 0.000 1.315 237 H CB -0.600 29.383 29.762 0.369 0.000 1.380 237 H HN 0.163 nan 8.280 nan 0.000 0.513 238 L N 0.187 121.560 121.223 0.250 0.000 2.017 238 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 238 L C 2.673 179.556 176.870 0.021 0.000 1.073 238 L CA 1.526 56.390 54.840 0.039 0.000 0.745 238 L CB -0.695 41.267 42.059 -0.162 0.000 0.894 238 L HN 0.341 nan 8.230 nan 0.000 0.432 239 A N -0.508 122.324 122.820 0.020 0.000 2.019 239 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 239 A C 2.273 179.855 177.584 -0.002 0.000 1.164 239 A CA 1.465 53.494 52.037 -0.013 0.000 0.644 239 A CB -0.724 18.259 19.000 -0.029 0.000 0.805 239 A HN 0.382 nan 8.150 nan 0.000 0.449 240 I N -0.487 120.103 120.570 0.034 0.000 2.233 240 I HA -0.218 3.952 4.170 -0.000 0.000 0.243 240 I C 2.980 179.105 176.117 0.014 0.000 1.093 240 I CA 0.966 62.282 61.300 0.026 0.000 1.380 240 I CB -0.345 37.679 38.000 0.040 0.000 1.067 240 I HN 0.334 nan 8.210 nan 0.000 0.413 241 A N 0.040 122.893 122.820 0.054 0.000 1.851 241 A HA -0.263 4.057 4.320 -0.000 0.000 0.216 241 A C 2.489 180.018 177.584 -0.091 0.000 1.195 241 A CA 2.000 54.036 52.037 -0.001 0.000 0.622 241 A CB -1.422 17.606 19.000 0.046 0.000 0.831 241 A HN 0.535 nan 8.150 nan 0.000 0.444 242 C N -1.122 118.135 119.300 -0.071 0.000 2.376 242 C HA -0.115 4.344 4.460 -0.000 0.000 0.275 242 C C 3.348 178.294 174.990 -0.073 0.000 1.200 242 C CA 1.215 60.185 59.018 -0.081 0.000 1.756 242 C CB -1.482 26.217 27.740 -0.068 0.000 2.050 242 C HN 0.706 nan 8.230 nan 0.000 0.460 243 A N -0.349 122.439 122.820 -0.054 0.000 1.851 243 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 243 A C 2.326 179.878 177.584 -0.054 0.000 1.195 243 A CA 2.341 54.353 52.037 -0.042 0.000 0.622 243 A CB -1.058 17.924 19.000 -0.029 0.000 0.831 243 A HN 0.356 nan 8.150 nan 0.000 0.444 244 V N -0.104 119.763 119.914 -0.079 0.000 2.252 244 V HA -0.329 3.791 4.120 -0.000 0.000 0.249 244 V C 3.100 179.076 176.094 -0.196 0.000 1.056 244 V CA 2.321 64.551 62.300 -0.117 0.000 1.022 244 V CB -1.265 30.473 31.823 -0.141 0.000 0.641 244 V HN 0.669 nan 8.190 nan 0.000 0.445 245 A N -0.349 122.274 122.820 -0.327 0.000 1.917 245 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 245 A C 2.410 179.988 177.584 -0.009 0.000 1.182 245 A CA 2.606 54.492 52.037 -0.252 0.000 0.633 245 A CB -0.916 17.976 19.000 -0.179 0.000 0.819 245 A HN 0.659 nan 8.150 nan 0.000 0.448 246 A N -0.217 122.586 122.820 -0.027 0.000 1.877 246 A HA -0.178 4.141 4.320 -0.000 0.000 0.216 246 A C 2.242 179.848 177.584 0.037 0.000 1.186 246 A CA 1.926 53.970 52.037 0.011 0.000 0.620 246 A CB -0.522 18.476 19.000 -0.004 0.000 0.822 246 A HN 0.616 nan 8.150 nan 0.000 0.443 247 R N -0.349 120.171 120.500 0.033 0.000 2.152 247 R HA -0.054 4.286 4.340 -0.000 0.000 0.232 247 R C 2.025 178.377 176.300 0.087 0.000 1.117 247 R CA 1.530 57.663 56.100 0.055 0.000 0.981 247 R CB -0.345 29.991 30.300 0.060 0.000 0.870 247 R HN 0.422 nan 8.270 nan 0.000 0.451 248 A N -0.006 122.889 122.820 0.125 0.000 1.878 248 A HA -0.057 4.263 4.320 -0.000 0.000 0.213 248 A C 2.052 179.732 177.584 0.160 0.000 1.192 248 A CA 1.368 53.518 52.037 0.188 0.000 0.619 248 A CB -0.510 18.709 19.000 0.365 0.000 0.837 248 A HN 0.552 nan 8.150 nan 0.000 0.446 249 T N -4.256 110.394 114.554 0.160 0.000 3.129 249 T HA 0.400 4.750 4.350 -0.000 0.000 0.251 249 T C 1.427 176.174 174.700 0.077 0.000 1.117 249 T CA 1.081 63.252 62.100 0.119 0.000 1.034 249 T CB 0.163 69.104 68.868 0.122 0.000 0.968 249 T HN 1.635 nan 8.240 nan 0.000 0.526 250 G N 2.103 110.943 108.800 0.067 0.000 2.212 250 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.266 250 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.266 250 G C 0.160 175.082 174.900 0.037 0.000 0.978 250 G CA 0.285 45.413 45.100 0.047 0.000 0.632 250 G HN 0.831 nan 8.290 nan 0.000 0.537 251 R N -0.288 120.235 120.500 0.039 0.000 2.912 251 R HA 0.622 4.962 4.340 -0.000 0.000 0.262 251 R C -3.157 173.149 176.300 0.011 0.000 1.057 251 R CA -2.448 53.667 56.100 0.025 0.000 0.981 251 R CB 0.837 31.153 30.300 0.028 0.000 1.201 251 R HN 0.005 nan 8.270 nan 0.000 0.484 252 P HA -0.003 nan 4.420 nan 0.000 0.265 252 P C -0.757 176.514 177.300 -0.048 0.000 1.193 252 P CA -0.103 62.983 63.100 -0.022 0.000 0.765 252 P CB 0.420 32.102 31.700 -0.030 0.000 0.823 253 C N 4.091 123.353 119.300 -0.063 0.000 2.482 253 C HA 0.500 4.960 4.460 -0.000 0.000 0.317 253 C C 0.200 175.115 174.990 -0.125 0.000 1.197 253 C CA -0.409 58.552 59.018 -0.095 0.000 1.432 253 C CB 1.437 29.140 27.740 -0.062 0.000 2.062 253 C HN 0.532 nan 8.230 nan 0.000 0.471 254 K N 2.568 122.846 120.400 -0.203 0.000 2.281 254 K HA 0.830 5.150 4.320 -0.000 0.000 0.242 254 K C -1.190 175.342 176.600 -0.114 0.000 0.971 254 K CA -0.524 55.659 56.287 -0.173 0.000 0.834 254 K CB 1.864 34.204 32.500 -0.266 0.000 1.181 254 K HN 0.824 nan 8.250 nan 0.000 0.435 255 M N 3.235 122.784 119.600 -0.084 0.000 2.322 255 M HA 0.356 4.836 4.480 -0.000 0.000 0.285 255 M C -1.953 174.299 176.300 -0.079 0.000 1.119 255 M CA -0.589 54.676 55.300 -0.057 0.000 0.953 255 M CB 1.864 34.384 32.600 -0.133 0.000 1.701 255 M HN 0.754 nan 8.290 nan 0.000 0.479 256 R N 3.622 124.140 120.500 0.029 0.000 2.651 256 R HA 0.463 4.803 4.340 -0.000 0.000 0.278 256 R C -2.350 174.068 176.300 0.197 0.000 1.010 256 R CA -0.686 55.405 56.100 -0.014 0.000 0.896 256 R CB 1.357 31.634 30.300 -0.038 0.000 1.211 256 R HN 0.779 nan 8.270 nan 0.000 0.456 257 Y N 1.481 121.842 120.300 0.102 0.000 2.327 257 Y HA 0.096 4.646 4.550 -0.000 0.000 0.336 257 Y C 0.594 176.583 175.900 0.148 0.000 1.035 257 Y CA -0.817 57.358 58.100 0.125 0.000 1.165 257 Y CB 1.396 39.920 38.460 0.106 0.000 1.181 257 Y HN 0.722 nan 8.280 nan 0.000 0.494 258 D N 1.951 122.557 120.400 0.343 0.000 2.443 258 D HA -0.067 4.573 4.640 -0.000 0.000 0.234 258 D C 1.351 177.767 176.300 0.193 0.000 1.172 258 D CA 0.188 54.335 54.000 0.246 0.000 0.878 258 D CB 0.934 41.847 40.800 0.187 0.000 1.204 258 D HN 0.518 nan 8.370 nan 0.000 0.453 259 R N 1.611 122.201 120.500 0.149 0.000 2.083 259 R HA -0.175 4.164 4.340 -0.000 0.000 0.237 259 R C 1.253 177.640 176.300 0.144 0.000 1.137 259 R CA 2.260 58.441 56.100 0.135 0.000 0.951 259 R CB -0.307 30.060 30.300 0.112 0.000 0.851 259 R HN 0.602 nan 8.270 nan 0.000 0.434 260 D N -0.018 120.473 120.400 0.151 0.000 2.116 260 D HA -0.164 4.476 4.640 -0.000 0.000 0.193 260 D C 1.439 177.820 176.300 0.134 0.000 0.998 260 D CA 1.780 55.908 54.000 0.214 0.000 0.836 260 D CB -0.252 40.707 40.800 0.264 0.000 0.951 260 D HN 0.297 nan 8.370 nan 0.000 0.449 261 D N 0.060 120.499 120.400 0.064 0.000 2.123 261 D HA -0.154 4.486 4.640 -0.000 0.000 0.196 261 D C 1.673 177.908 176.300 -0.108 0.000 0.992 261 D CA 0.818 54.786 54.000 -0.053 0.000 0.833 261 D CB -0.373 40.361 40.800 -0.110 0.000 0.954 261 D HN 0.209 nan 8.370 nan 0.000 0.455 262 D N 0.054 120.453 120.400 -0.001 0.000 2.092 262 D HA -0.138 4.502 4.640 -0.000 0.000 0.193 262 D C 2.008 178.363 176.300 0.091 0.000 0.994 262 D CA 0.901 54.963 54.000 0.103 0.000 0.828 262 D CB -0.011 40.972 40.800 0.304 0.000 0.963 262 D HN 0.183 nan 8.370 nan 0.000 0.450 263 M N 0.020 119.673 119.600 0.088 0.000 2.374 263 M HA -0.100 4.380 4.480 -0.000 0.000 0.264 263 M C 2.228 178.555 176.300 0.046 0.000 1.067 263 M CA 0.421 55.753 55.300 0.053 0.000 1.103 263 M CB 0.249 32.875 32.600 0.043 0.000 1.402 263 M HN -0.045 nan 8.290 nan 0.000 0.444 264 V N 0.189 120.131 119.914 0.046 0.000 2.599 264 V HA -0.124 3.996 4.120 -0.000 0.000 0.245 264 V C 1.997 178.168 176.094 0.128 0.000 1.046 264 V CA 1.220 63.554 62.300 0.055 0.000 1.065 264 V CB -0.044 31.778 31.823 -0.002 0.000 0.703 264 V HN 0.379 nan 8.190 nan 0.000 0.464 265 I N 0.115 120.721 120.570 0.059 0.000 2.584 265 I HA -0.038 4.132 4.170 -0.000 0.000 0.255 265 I C 1.506 177.688 176.117 0.109 0.000 1.145 265 I CA 0.917 62.287 61.300 0.117 0.000 1.462 265 I CB -0.342 37.610 38.000 -0.080 0.000 1.102 265 I HN 0.430 nan 8.210 nan 0.000 0.433 266 T N -1.021 113.590 114.554 0.096 0.000 2.849 266 T HA 0.560 4.909 4.350 -0.000 0.000 0.276 266 T C 0.484 175.244 174.700 0.099 0.000 0.971 266 T CA -0.442 61.732 62.100 0.123 0.000 0.949 266 T CB 1.394 70.393 68.868 0.220 0.000 1.093 266 T HN 0.161 nan 8.240 nan 0.000 0.545 267 G N -0.138 108.733 108.800 0.118 0.000 2.563 267 G HA2 0.610 4.570 3.960 -0.000 0.000 0.283 267 G HA3 0.610 4.570 3.960 -0.000 0.000 0.283 267 G C -0.812 174.171 174.900 0.138 0.000 1.309 267 G CA -0.874 44.280 45.100 0.089 0.000 1.022 267 G HN 0.807 nan 8.290 nan 0.000 0.501 268 K N -1.574 118.870 120.400 0.074 0.000 2.283 268 K HA 0.465 4.785 4.320 -0.000 0.000 0.257 268 K C -0.209 176.413 176.600 0.037 0.000 1.066 268 K CA -0.905 55.405 56.287 0.037 0.000 0.891 268 K CB 1.390 33.908 32.500 0.031 0.000 1.438 268 K HN 0.435 nan 8.250 nan 0.000 0.464 269 R N 1.091 121.619 120.500 0.047 0.000 2.491 269 R HA 0.081 4.421 4.340 -0.000 0.000 0.283 269 R C -0.737 175.594 176.300 0.052 0.000 1.072 269 R CA -0.138 55.977 56.100 0.024 0.000 1.048 269 R CB 0.105 30.241 30.300 -0.274 0.000 0.983 269 R HN 0.522 nan 8.270 nan 0.000 0.450 270 H N 3.006 122.122 119.070 0.075 0.000 3.217 270 H HA -0.077 4.479 4.556 -0.000 0.000 0.272 270 H C -0.131 175.352 175.328 0.258 0.000 0.929 270 H CA 0.942 57.073 56.048 0.139 0.000 1.425 270 H CB 0.050 29.928 29.762 0.193 0.000 1.505 270 H HN 0.528 nan 8.280 nan 0.000 0.542 271 D N 3.128 123.677 120.400 0.247 0.000 2.399 271 D HA 0.077 4.717 4.640 -0.000 0.000 0.241 271 D C -0.203 176.254 176.300 0.262 0.000 1.133 271 D CA 0.090 54.256 54.000 0.277 0.000 0.890 271 D CB 0.972 41.884 40.800 0.186 0.000 1.201 271 D HN 0.292 nan 8.370 nan 0.000 0.432 272 F N -0.490 119.466 119.950 0.010 0.000 2.603 272 F HA 0.407 4.934 4.527 -0.000 0.000 0.317 272 F C 0.400 176.145 175.800 -0.092 0.000 1.066 272 F CA -1.276 56.700 58.000 -0.041 0.000 0.941 272 F CB 2.582 41.521 39.000 -0.101 0.000 1.291 272 F HN 0.240 nan 8.300 nan 0.000 0.472 273 R N 2.812 123.355 120.500 0.071 0.000 2.534 273 R HA 0.749 5.089 4.340 -0.000 0.000 0.301 273 R C -2.020 174.346 176.300 0.111 0.000 0.961 273 R CA -0.444 55.669 56.100 0.022 0.000 0.871 273 R CB 1.470 31.780 30.300 0.017 0.000 1.170 273 R HN 0.754 nan 8.270 nan 0.000 0.446 274 I N 3.518 124.145 120.570 0.094 0.000 2.466 274 I HA 0.416 4.586 4.170 -0.000 0.000 0.289 274 I C -0.545 175.819 176.117 0.412 0.000 1.026 274 I CA -0.825 60.664 61.300 0.315 0.000 1.078 274 I CB 2.072 40.258 38.000 0.309 0.000 1.249 274 I HN 0.544 nan 8.210 nan 0.000 0.429 275 R N 6.236 126.977 120.500 0.401 0.000 2.387 275 R HA 0.573 4.913 4.340 -0.000 0.000 0.314 275 R C -1.794 174.702 176.300 0.327 0.000 0.958 275 R CA -0.501 55.756 56.100 0.262 0.000 0.846 275 R CB 1.324 31.717 30.300 0.154 0.000 1.147 275 R HN 0.561 nan 8.270 nan 0.000 0.447 276 Y N 0.085 120.506 120.300 0.202 0.000 2.553 276 Y HA 0.622 5.172 4.550 -0.000 0.000 0.347 276 Y C -1.189 174.656 175.900 -0.092 0.000 1.019 276 Y CA -1.389 56.721 58.100 0.017 0.000 1.032 276 Y CB 1.452 39.931 38.460 0.033 0.000 1.284 276 Y HN 0.372 nan 8.280 nan 0.000 0.466 277 R N 3.464 123.945 120.500 -0.032 0.000 2.513 277 R HA 0.706 5.046 4.340 -0.000 0.000 0.301 277 R C -1.540 174.692 176.300 -0.112 0.000 0.968 277 R CA -0.732 55.338 56.100 -0.051 0.000 0.872 277 R CB 2.599 32.845 30.300 -0.090 0.000 1.177 277 R HN 0.941 nan 8.270 nan 0.000 0.444 278 I N 0.542 121.066 120.570 -0.076 0.000 2.785 278 I HA 0.811 4.981 4.170 -0.000 0.000 0.302 278 I C -0.909 175.137 176.117 -0.118 0.000 1.069 278 I CA -0.642 60.569 61.300 -0.149 0.000 1.045 278 I CB 2.386 40.272 38.000 -0.191 0.000 1.236 278 I HN 0.722 nan 8.210 nan 0.000 0.429 279 G N 4.455 113.190 108.800 -0.109 0.000 2.719 279 G HA2 0.786 4.746 3.960 -0.000 0.000 0.298 279 G HA3 0.786 4.746 3.960 -0.000 0.000 0.298 279 G C -1.843 173.023 174.900 -0.056 0.000 1.411 279 G CA -0.251 44.805 45.100 -0.073 0.000 0.991 279 G HN 0.917 nan 8.290 nan 0.000 0.509 280 A N 1.166 123.978 122.820 -0.014 0.000 2.483 280 A HA 0.834 5.154 4.320 -0.000 0.000 0.286 280 A C -0.355 177.261 177.584 0.054 0.000 1.207 280 A CA -0.553 51.485 52.037 0.002 0.000 0.764 280 A CB 1.330 20.315 19.000 -0.024 0.000 1.341 280 A HN 0.687 nan 8.150 nan 0.000 0.428 281 D N -0.754 119.673 120.400 0.045 0.000 2.349 281 D HA 0.417 5.057 4.640 -0.000 0.000 0.239 281 D C 1.337 177.709 176.300 0.119 0.000 1.315 281 D CA 1.054 55.085 54.000 0.053 0.000 0.937 281 D CB 0.611 41.431 40.800 0.034 0.000 1.133 281 D HN 0.561 nan 8.370 nan 0.000 0.489 282 A N -0.377 122.496 122.820 0.088 0.000 2.072 282 A HA -0.017 4.303 4.320 -0.000 0.000 0.216 282 A C 1.845 179.481 177.584 0.085 0.000 1.156 282 A CA 1.279 53.392 52.037 0.126 0.000 0.701 282 A CB -0.379 18.658 19.000 0.062 0.000 0.816 282 A HN 0.444 nan 8.150 nan 0.000 0.458 283 S N -2.449 113.276 115.700 0.042 0.000 2.528 283 S HA 0.406 4.875 4.470 -0.000 0.000 0.219 283 S C 1.385 175.977 174.600 -0.013 0.000 0.985 283 S CA 0.971 59.179 58.200 0.013 0.000 0.914 283 S CB 0.197 63.405 63.200 0.013 0.000 0.776 283 S HN 1.683 nan 8.310 nan 0.000 0.526 284 G N 0.941 109.732 108.800 -0.016 0.000 2.211 284 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.201 284 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.201 284 G C -0.083 174.790 174.900 -0.045 0.000 0.997 284 G CA -0.476 44.591 45.100 -0.056 0.000 0.652 284 G HN 0.349 nan 8.290 nan 0.000 0.500 285 K N 1.336 121.729 120.400 -0.011 0.000 2.416 285 K HA 0.313 4.633 4.320 -0.000 0.000 0.283 285 K C 1.167 177.758 176.600 -0.015 0.000 1.037 285 K CA -0.257 56.031 56.287 0.001 0.000 0.995 285 K CB 0.764 33.287 32.500 0.038 0.000 0.938 285 K HN 0.390 nan 8.250 nan 0.000 0.475 286 L N 4.346 125.545 121.223 -0.040 0.000 2.559 286 L HA -0.122 4.218 4.340 -0.000 0.000 0.282 286 L C 1.626 178.459 176.870 -0.060 0.000 1.232 286 L CA 0.176 54.971 54.840 -0.074 0.000 0.885 286 L CB 0.093 42.084 42.059 -0.112 0.000 1.131 286 L HN 0.545 nan 8.230 nan 0.000 0.498 287 L N 2.464 123.651 121.223 -0.061 0.000 2.425 287 L HA 0.359 4.699 4.340 -0.000 0.000 0.215 287 L C 0.834 177.661 176.870 -0.070 0.000 1.065 287 L CA 0.291 55.101 54.840 -0.049 0.000 0.842 287 L CB 0.370 42.410 42.059 -0.032 0.000 1.033 287 L HN 0.783 nan 8.230 nan 0.000 0.474 288 G N -0.671 108.077 108.800 -0.086 0.000 2.519 288 G HA2 0.642 4.602 3.960 -0.000 0.000 0.292 288 G HA3 0.642 4.602 3.960 -0.000 0.000 0.292 288 G C -2.149 172.682 174.900 -0.115 0.000 1.507 288 G CA 0.114 45.161 45.100 -0.089 0.000 0.806 288 G HN 0.022 nan 8.290 nan 0.000 0.523 289 A N 0.416 123.162 122.820 -0.124 0.000 2.459 289 A HA 0.733 5.053 4.320 -0.000 0.000 0.296 289 A C -1.799 175.624 177.584 -0.267 0.000 1.039 289 A CA -0.485 51.405 52.037 -0.245 0.000 0.698 289 A CB 2.252 21.091 19.000 -0.269 0.000 1.261 289 A HN 0.793 nan 8.150 nan 0.000 0.405 290 D N 1.183 121.377 120.400 -0.345 0.000 2.375 290 D HA 0.720 5.360 4.640 -0.000 0.000 0.247 290 D C -1.320 174.811 176.300 -0.281 0.000 1.061 290 D CA 0.015 53.897 54.000 -0.196 0.000 0.834 290 D CB 0.634 41.380 40.800 -0.091 0.000 1.247 290 D HN 0.247 nan 8.370 nan 0.000 0.489 291 F N 1.964 121.932 119.950 0.029 0.000 2.563 291 F HA 0.567 5.094 4.527 -0.000 0.000 0.316 291 F C -0.350 175.444 175.800 -0.009 0.000 1.076 291 F CA -1.012 57.017 58.000 0.049 0.000 0.921 291 F CB 2.289 41.273 39.000 -0.027 0.000 1.209 291 F HN 0.011 nan 8.300 nan 0.000 0.462 292 V N 2.041 122.140 119.914 0.309 0.000 2.483 292 V HA 0.321 4.441 4.120 -0.000 0.000 0.297 292 V C -0.930 175.374 176.094 0.349 0.000 1.027 292 V CA -0.720 61.714 62.300 0.222 0.000 0.855 292 V CB 1.709 33.651 31.823 0.199 0.000 0.995 292 V HN 0.722 nan 8.190 nan 0.000 0.424 293 H N 5.449 124.668 119.070 0.248 0.000 2.541 293 H HA 0.566 5.122 4.556 -0.000 0.000 0.316 293 H C -0.774 174.637 175.328 0.139 0.000 1.043 293 H CA -0.733 55.466 56.048 0.253 0.000 1.232 293 H CB 1.410 31.355 29.762 0.305 0.000 1.406 293 H HN 0.428 nan 8.280 nan 0.000 0.469 294 L N 3.125 124.438 121.223 0.149 0.000 2.282 294 L HA 0.604 4.944 4.340 -0.000 0.000 0.288 294 L C -0.083 176.582 176.870 -0.341 0.000 1.033 294 L CA -0.725 54.096 54.840 -0.032 0.000 0.807 294 L CB 1.353 43.383 42.059 -0.048 0.000 1.209 294 L HN 0.584 nan 8.230 nan 0.000 0.423 295 A N 3.767 126.317 122.820 -0.451 0.000 2.343 295 A HA 0.555 4.875 4.320 -0.000 0.000 0.308 295 A C -0.607 176.823 177.584 -0.256 0.000 1.092 295 A CA -0.701 50.887 52.037 -0.749 0.000 0.751 295 A CB 1.387 19.702 19.000 -1.142 0.000 1.203 295 A HN 0.685 nan 8.150 nan 0.000 0.452 296 R N 2.487 122.885 120.500 -0.170 0.000 2.248 296 R HA 0.247 4.587 4.340 -0.000 0.000 0.337 296 R C -0.144 176.157 176.300 0.002 0.000 1.085 296 R CA -0.060 55.994 56.100 -0.076 0.000 0.934 296 R CB 0.246 30.484 30.300 -0.104 0.000 1.034 296 R HN 0.878 nan 8.270 nan 0.000 0.465 297 C N 2.200 121.551 119.300 0.085 0.000 2.611 297 C HA 0.341 4.801 4.460 -0.000 0.000 0.282 297 C C 1.211 176.218 174.990 0.028 0.000 1.321 297 C CA 0.429 59.529 59.018 0.136 0.000 1.747 297 C CB -0.683 27.254 27.740 0.328 0.000 2.124 297 C HN 1.028 nan 8.230 nan 0.000 0.531 298 G N 0.542 109.383 108.800 0.068 0.000 2.566 298 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.599 298 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.599 298 G C 0.108 175.168 174.900 0.267 0.000 1.292 298 G CA -0.027 45.130 45.100 0.096 0.000 0.922 298 G HN 0.564 nan 8.290 nan 0.000 0.514 299 W N 0.569 121.899 121.300 0.050 0.000 3.077 299 W HA 0.461 5.121 4.660 -0.000 0.000 0.245 299 W C 0.650 177.312 176.519 0.239 0.000 1.316 299 W CA 0.979 58.404 57.345 0.133 0.000 1.537 299 W CB -1.435 28.125 29.460 0.167 0.000 1.131 299 W HN 1.495 nan 8.180 nan 0.000 0.695 300 S N -1.503 114.062 115.700 -0.225 0.000 2.607 300 S HA 0.660 5.130 4.470 -0.000 0.000 0.273 300 S C 0.716 174.990 174.600 -0.544 0.000 1.148 300 S CA -0.155 57.835 58.200 -0.350 0.000 0.833 300 S CB 1.581 64.159 63.200 -1.037 0.000 1.130 300 S HN 0.084 nan 8.310 nan 0.000 0.470 301 A N 1.304 123.668 122.820 -0.760 0.000 1.940 301 A HA 0.011 4.331 4.320 -0.000 0.000 0.219 301 A C 1.244 178.534 177.584 -0.489 0.000 1.176 301 A CA 2.245 53.694 52.037 -0.980 0.000 0.631 301 A CB -1.928 16.656 19.000 -0.694 0.000 0.814 301 A HN 1.299 nan 8.150 nan 0.000 0.446 302 D N -1.575 118.627 120.400 -0.330 0.000 3.852 302 D HA -0.266 4.374 4.640 -0.000 0.000 0.164 302 D C 0.476 176.722 176.300 -0.089 0.000 0.807 302 D CA 2.546 56.451 54.000 -0.159 0.000 0.906 302 D CB -0.891 39.848 40.800 -0.101 0.000 0.424 302 D HN 0.224 nan 8.370 nan 0.000 0.365 303 L N 0.242 121.461 121.223 -0.006 0.000 2.741 303 L HA 0.257 4.597 4.340 -0.000 0.000 0.237 303 L C 1.851 178.663 176.870 -0.095 0.000 1.178 303 L CA -0.060 54.791 54.840 0.018 0.000 0.973 303 L CB 0.177 42.329 42.059 0.155 0.000 1.255 303 L HN 0.161 nan 8.230 nan 0.000 0.498 304 S N 0.751 116.378 115.700 -0.121 0.000 2.374 304 S HA -0.248 4.222 4.470 -0.000 0.000 0.227 304 S C 1.881 176.346 174.600 -0.224 0.000 1.037 304 S CA 1.535 59.597 58.200 -0.231 0.000 1.024 304 S CB -0.170 62.962 63.200 -0.113 0.000 0.861 304 S HN 0.439 nan 8.310 nan 0.000 0.456 305 L N 1.910 123.051 121.223 -0.137 0.000 1.956 305 L HA -0.115 4.225 4.340 -0.000 0.000 0.216 305 L C -1.058 175.812 176.870 0.001 0.000 1.073 305 L CA 1.844 56.651 54.840 -0.055 0.000 0.762 305 L CB -1.096 40.951 42.059 -0.021 0.000 0.889 305 L HN 0.217 nan 8.230 nan 0.000 0.433 306 P HA -0.107 nan 4.420 nan 0.000 0.219 306 P C 1.899 179.203 177.300 0.007 0.000 1.150 306 P CA 1.020 64.237 63.100 0.194 0.000 0.814 306 P CB 0.056 32.006 31.700 0.416 0.000 0.787 307 V N -0.238 119.447 119.914 -0.382 0.000 2.237 307 V HA -0.297 3.822 4.120 -0.000 0.000 0.245 307 V C 2.552 178.492 176.094 -0.257 0.000 1.046 307 V CA 2.197 64.099 62.300 -0.664 0.000 1.007 307 V CB -1.491 29.833 31.823 -0.831 0.000 0.638 307 V HN 0.187 nan 8.190 nan 0.000 0.445 308 C N 0.146 119.329 119.300 -0.194 0.000 2.398 308 C HA -0.220 4.240 4.460 -0.000 0.000 0.276 308 C C 2.519 177.527 174.990 0.031 0.000 1.222 308 C CA 1.074 60.079 59.018 -0.022 0.000 1.746 308 C CB -1.289 26.430 27.740 -0.035 0.000 2.039 308 C HN 0.626 nan 8.230 nan 0.000 0.470 309 D N -0.003 120.438 120.400 0.067 0.000 2.170 309 D HA -0.188 4.452 4.640 -0.000 0.000 0.193 309 D C 2.243 178.682 176.300 0.232 0.000 1.004 309 D CA 1.341 55.468 54.000 0.213 0.000 0.860 309 D CB -0.521 40.508 40.800 0.380 0.000 0.931 309 D HN 0.536 nan 8.370 nan 0.000 0.448 310 R N 0.276 120.886 120.500 0.183 0.000 2.075 310 R HA -0.043 4.297 4.340 -0.000 0.000 0.232 310 R C 2.170 178.600 176.300 0.216 0.000 1.126 310 R CA 1.306 57.540 56.100 0.224 0.000 0.963 310 R CB -0.137 30.293 30.300 0.217 0.000 0.858 310 R HN 0.133 nan 8.270 nan 0.000 0.435 311 A N 0.850 123.713 122.820 0.072 0.000 1.902 311 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 311 A C 2.200 179.906 177.584 0.203 0.000 1.181 311 A CA 1.570 53.618 52.037 0.018 0.000 0.623 311 A CB -0.442 18.422 19.000 -0.227 0.000 0.818 311 A HN 0.325 nan 8.150 nan 0.000 0.443 312 M N -1.240 118.473 119.600 0.189 0.000 2.117 312 M HA -0.138 4.342 4.480 -0.000 0.000 0.262 312 M C 1.993 178.523 176.300 0.384 0.000 1.065 312 M CA 1.156 56.550 55.300 0.157 0.000 1.114 312 M CB -0.478 31.922 32.600 -0.334 0.000 1.361 312 M HN 0.334 nan 8.290 nan 0.000 0.408 313 L N -0.474 120.951 121.223 0.337 0.000 2.083 313 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 313 L C 1.724 178.669 176.870 0.125 0.000 1.083 313 L CA 2.028 56.957 54.840 0.148 0.000 0.752 313 L CB -1.125 40.877 42.059 -0.095 0.000 0.899 313 L HN 0.312 nan 8.230 nan 0.000 0.433 314 H N -1.859 117.312 119.070 0.167 0.000 2.517 314 H HA 0.350 4.906 4.556 -0.000 0.000 0.282 314 H C 1.816 177.240 175.328 0.160 0.000 1.023 314 H CA 0.451 56.592 56.048 0.155 0.000 1.169 314 H CB -0.042 29.730 29.762 0.017 0.000 1.454 314 H HN 0.203 nan 8.280 nan 0.000 0.556 315 A N 0.931 123.892 122.820 0.235 0.000 2.272 315 A HA -0.168 4.152 4.320 -0.000 0.000 0.213 315 A C 1.394 178.975 177.584 -0.005 0.000 1.183 315 A CA 1.593 53.596 52.037 -0.057 0.000 0.719 315 A CB -0.228 18.652 19.000 -0.201 0.000 0.771 315 A HN 0.535 nan 8.150 nan 0.000 0.484 316 D N -1.958 118.577 120.400 0.225 0.000 2.360 316 D HA 0.288 4.928 4.640 -0.000 0.000 0.210 316 D C 1.213 177.707 176.300 0.324 0.000 1.047 316 D CA 0.790 54.959 54.000 0.282 0.000 0.854 316 D CB -0.853 40.198 40.800 0.418 0.000 0.936 316 D HN 0.558 nan 8.370 nan 0.000 0.514 317 G N 1.134 110.093 108.800 0.265 0.000 2.614 317 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.303 317 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.303 317 G C 0.614 175.558 174.900 0.073 0.000 1.270 317 G CA 0.747 45.983 45.100 0.226 0.000 0.988 317 G HN 0.331 nan 8.290 nan 0.000 0.551 318 S N 0.903 116.428 115.700 -0.292 0.000 2.679 318 S HA 0.454 4.924 4.470 -0.000 0.000 0.233 318 S C -0.449 173.773 174.600 -0.630 0.000 0.951 318 S CA 0.501 58.433 58.200 -0.446 0.000 0.973 318 S CB -0.227 62.622 63.200 -0.585 0.000 0.778 318 S HN 0.468 nan 8.310 nan 0.000 0.477 319 Y N -0.313 120.016 120.300 0.049 0.000 2.570 319 Y HA 0.589 5.138 4.550 -0.000 0.000 0.345 319 Y C -0.443 175.111 175.900 -0.577 0.000 1.014 319 Y CA -2.220 55.759 58.100 -0.201 0.000 1.063 319 Y CB 0.573 39.004 38.460 -0.049 0.000 1.272 319 Y HN 0.118 nan 8.280 nan 0.000 0.477 320 F N 2.135 121.726 119.950 -0.599 0.000 2.420 320 F HA 0.660 5.187 4.527 0.000 0.000 0.352 320 F C -1.063 174.683 175.800 -0.090 0.000 1.108 320 F CA -0.950 56.759 58.000 -0.485 0.000 1.162 320 F CB 0.562 39.373 39.000 -0.316 0.000 1.118 320 F HN 0.182 nan 8.300 nan 0.000 0.510 321 V N 9.106 128.456 119.914 -0.941 0.000 2.447 321 V HA 0.241 4.360 4.120 -0.000 0.000 0.292 321 V C -1.882 173.792 176.094 -0.701 0.000 1.021 321 V CA -1.265 60.649 62.300 -0.644 0.000 0.850 321 V CB 1.573 33.262 31.823 -0.224 0.000 1.005 321 V HN 0.669 nan 8.190 nan 0.000 0.426 322 P HA -0.003 nan 4.420 nan 0.000 0.218 322 P C 0.266 177.489 177.300 -0.128 0.000 1.148 322 P CA 1.181 64.102 63.100 -0.298 0.000 0.822 322 P CB 0.399 32.040 31.700 -0.099 0.000 0.784 323 A N -0.794 121.961 122.820 -0.108 0.000 2.449 323 A HA 0.765 5.084 4.320 -0.000 0.000 0.302 323 A C -1.563 176.007 177.584 -0.023 0.000 1.048 323 A CA -0.602 51.418 52.037 -0.029 0.000 0.708 323 A CB 1.013 20.003 19.000 -0.016 0.000 1.274 323 A HN 0.098 nan 8.150 nan 0.000 0.410 324 L N 1.484 122.727 121.223 0.033 0.000 2.705 324 L HA 0.642 4.982 4.340 -0.000 0.000 0.260 324 L C -1.036 175.894 176.870 0.100 0.000 0.921 324 L CA -0.381 54.484 54.840 0.042 0.000 0.948 324 L CB 1.560 43.629 42.059 0.016 0.000 1.427 324 L HN 0.937 nan 8.230 nan 0.000 0.432 325 R N 4.536 125.099 120.500 0.105 0.000 2.803 325 R HA 0.870 5.210 4.340 -0.000 0.000 0.276 325 R C -1.657 174.729 176.300 0.144 0.000 0.978 325 R CA -0.626 55.554 56.100 0.134 0.000 0.939 325 R CB 1.872 32.224 30.300 0.087 0.000 1.179 325 R HN 0.694 nan 8.270 nan 0.000 0.472 326 I N 1.593 122.224 120.570 0.102 0.000 2.607 326 I HA 0.255 4.424 4.170 -0.000 0.000 0.290 326 I C -1.061 174.997 176.117 -0.098 0.000 1.129 326 I CA -0.614 60.671 61.300 -0.025 0.000 1.042 326 I CB 2.327 40.256 38.000 -0.118 0.000 1.242 326 I HN 0.616 nan 8.210 nan 0.000 0.421 327 E N 4.545 124.682 120.200 -0.104 0.000 2.182 327 E HA 0.410 4.759 4.350 -0.000 0.000 0.258 327 E C -1.377 175.131 176.600 -0.153 0.000 0.879 327 E CA -0.349 55.975 56.400 -0.127 0.000 0.754 327 E CB 1.726 31.412 29.700 -0.023 0.000 1.162 327 E HN 0.526 nan 8.360 nan 0.000 0.419 328 S N 5.073 120.623 115.700 -0.249 0.000 2.520 328 S HA 0.263 4.733 4.470 -0.000 0.000 0.324 328 S C -0.841 173.639 174.600 -0.200 0.000 1.069 328 S CA -0.682 57.441 58.200 -0.128 0.000 1.121 328 S CB 0.310 63.436 63.200 -0.124 0.000 0.971 328 S HN 0.543 nan 8.310 nan 0.000 0.463 329 H N 4.985 124.052 119.070 -0.005 0.000 2.562 329 H HA 0.344 4.900 4.556 -0.000 0.000 0.314 329 H C 0.040 175.346 175.328 -0.037 0.000 1.079 329 H CA -0.638 55.398 56.048 -0.020 0.000 1.349 329 H CB 0.707 30.456 29.762 -0.022 0.000 1.432 329 H HN 0.498 nan 8.280 nan 0.000 0.479 330 R N 4.207 124.758 120.500 0.084 0.000 2.215 330 R HA 0.327 4.667 4.340 -0.000 0.000 0.337 330 R C -0.356 176.022 176.300 0.130 0.000 1.010 330 R CA -0.625 55.527 56.100 0.087 0.000 0.871 330 R CB 0.544 30.908 30.300 0.107 0.000 1.134 330 R HN 0.459 nan 8.270 nan 0.000 0.477 331 L N 2.729 123.992 121.223 0.067 0.000 2.292 331 L HA 0.499 4.839 4.340 -0.000 0.000 0.284 331 L C 0.817 177.689 176.870 0.003 0.000 1.065 331 L CA -0.781 54.065 54.840 0.010 0.000 0.806 331 L CB 1.041 43.079 42.059 -0.035 0.000 1.175 331 L HN 0.365 nan 8.230 nan 0.000 0.431 332 R N 1.950 122.358 120.500 -0.153 0.000 2.357 332 R HA 0.535 4.875 4.340 -0.000 0.000 0.296 332 R C -0.695 175.556 176.300 -0.082 0.000 1.052 332 R CA -0.091 55.886 56.100 -0.205 0.000 0.988 332 R CB 1.051 30.997 30.300 -0.589 0.000 1.025 332 R HN 0.848 nan 8.270 nan 0.000 0.469 333 T N 0.200 114.756 114.554 0.003 0.000 2.868 333 T HA 0.220 4.570 4.350 -0.000 0.000 0.306 333 T C -0.378 174.353 174.700 0.053 0.000 1.224 333 T CA -1.084 61.006 62.100 -0.017 0.000 1.012 333 T CB 1.287 70.100 68.868 -0.092 0.000 1.221 333 T HN 0.582 nan 8.240 nan 0.000 0.499 334 N N 1.675 120.398 118.700 0.038 0.000 3.115 334 N HA 0.294 5.034 4.740 -0.000 0.000 0.305 334 N C 0.163 175.717 175.510 0.073 0.000 1.305 334 N CA -0.011 53.103 53.050 0.106 0.000 1.154 334 N CB -0.027 38.496 38.487 0.060 0.000 1.454 334 N HN 0.795 nan 8.380 nan 0.000 0.551 335 T N -3.668 110.905 114.554 0.033 0.000 2.742 335 T HA 0.355 4.704 4.350 -0.000 0.000 0.282 335 T C -0.153 174.472 174.700 -0.125 0.000 1.025 335 T CA -1.048 61.015 62.100 -0.061 0.000 1.020 335 T CB 0.772 69.416 68.868 -0.373 0.000 1.317 335 T HN -0.154 nan 8.240 nan 0.000 0.538 336 Q N 1.395 121.083 119.800 -0.187 0.000 2.310 336 Q HA 0.285 4.625 4.340 -0.000 0.000 0.315 336 Q C 0.171 176.084 176.000 -0.145 0.000 1.081 336 Q CA 0.339 55.936 55.803 -0.343 0.000 0.981 336 Q CB 0.318 29.032 28.738 -0.040 0.000 1.184 336 Q HN 0.665 nan 8.270 nan 0.000 0.389 337 S N 3.531 119.165 115.700 -0.111 0.000 2.429 337 S HA 0.108 4.578 4.470 -0.000 0.000 0.292 337 S C -0.130 174.393 174.600 -0.129 0.000 1.183 337 S CA -0.715 57.405 58.200 -0.133 0.000 1.088 337 S CB -0.158 62.863 63.200 -0.299 0.000 1.018 337 S HN 0.473 nan 8.310 nan 0.000 0.511 338 N N 2.976 121.546 118.700 -0.217 0.000 2.371 338 N HA 0.319 5.059 4.740 -0.000 0.000 0.243 338 N C 0.361 175.779 175.510 -0.154 0.000 1.287 338 N CA 0.098 52.942 53.050 -0.343 0.000 0.911 338 N CB 1.148 39.103 38.487 -0.886 0.000 1.142 338 N HN 0.654 nan 8.380 nan 0.000 0.451 339 T N -1.525 113.055 114.554 0.043 0.000 2.630 339 T HA 0.576 4.926 4.350 -0.000 0.000 0.300 339 T C -1.312 173.553 174.700 0.275 0.000 1.261 339 T CA -0.425 61.798 62.100 0.205 0.000 1.060 339 T CB 0.155 69.134 68.868 0.185 0.000 1.670 339 T HN 0.516 nan 8.240 nan 0.000 0.473 340 A N 0.870 123.870 122.820 0.300 0.000 2.466 340 A HA 0.620 4.939 4.320 -0.000 0.000 0.238 340 A C -0.653 177.228 177.584 0.495 0.000 1.074 340 A CA 0.150 52.427 52.037 0.401 0.000 0.774 340 A CB -0.468 18.804 19.000 0.454 0.000 1.015 340 A HN 0.791 nan 8.150 nan 0.000 0.498 341 F N 0.748 120.842 119.950 0.241 0.000 2.683 341 F HA 0.375 4.902 4.527 -0.000 0.000 0.333 341 F C 0.280 176.010 175.800 -0.115 0.000 1.160 341 F CA -1.046 57.034 58.000 0.133 0.000 1.099 341 F CB 1.077 40.007 39.000 -0.117 0.000 1.344 341 F HN 0.825 nan 8.300 nan 0.000 0.534 342 R N 4.064 124.789 120.500 0.376 0.000 4.360 342 R HA -0.006 4.334 4.340 -0.000 0.000 0.119 342 R C 0.925 176.975 176.300 -0.416 0.000 0.311 342 R CA 2.125 58.200 56.100 -0.043 0.000 0.816 342 R CB -0.711 29.521 30.300 -0.113 0.000 1.070 342 R HN 1.216 nan 8.270 nan 0.000 0.227 343 G N 3.500 112.213 108.800 -0.145 0.000 2.352 343 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.204 343 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.204 343 G C 0.204 175.199 174.900 0.159 0.000 1.004 343 G CA -0.174 44.896 45.100 -0.050 0.000 0.648 343 G HN 0.790 nan 8.290 nan 0.000 0.491 344 F N 1.165 121.074 119.950 -0.068 0.000 2.694 344 F HA 0.056 4.583 4.527 -0.000 0.000 0.215 344 F C 1.822 177.579 175.800 -0.071 0.000 1.032 344 F CA 2.686 60.673 58.000 -0.021 0.000 0.871 344 F CB -0.934 38.073 39.000 0.012 0.000 0.776 344 F HN 1.972 nan 8.300 nan 0.000 0.850 345 G N 0.214 108.912 108.800 -0.170 0.000 2.284 345 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.247 345 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.247 345 G C 1.463 176.215 174.900 -0.248 0.000 1.012 345 G CA 0.630 45.583 45.100 -0.245 0.000 0.618 345 G HN 1.536 nan 8.290 nan 0.000 0.521 346 G N 1.525 110.201 108.800 -0.208 0.000 2.418 346 G HA2 0.108 4.067 3.960 -0.000 0.000 0.217 346 G HA3 0.108 4.067 3.960 -0.000 0.000 0.217 346 G C 0.104 174.911 174.900 -0.154 0.000 1.158 346 G CA 1.970 46.849 45.100 -0.367 0.000 0.771 346 G HN 0.557 nan 8.290 nan 0.000 0.545 347 P HA -0.064 nan 4.420 nan 0.000 0.215 347 P C 1.795 179.121 177.300 0.043 0.000 1.157 347 P CA 1.260 64.413 63.100 0.088 0.000 0.863 347 P CB 0.010 31.736 31.700 0.043 0.000 0.787 348 Q N -0.503 119.199 119.800 -0.162 0.000 2.030 348 Q HA -0.111 4.228 4.340 -0.000 0.000 0.204 348 Q C 2.460 178.240 176.000 -0.366 0.000 0.986 348 Q CA 2.172 57.767 55.803 -0.347 0.000 0.843 348 Q CB -1.813 26.295 28.738 -1.049 0.000 0.904 348 Q HN 0.226 nan 8.270 nan 0.000 0.420 349 G N 0.299 108.875 108.800 -0.373 0.000 2.469 349 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.219 349 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.219 349 G C 1.477 176.342 174.900 -0.058 0.000 1.150 349 G CA 1.100 46.074 45.100 -0.209 0.000 0.763 349 G HN 0.467 nan 8.290 nan 0.000 0.561 350 A N 0.055 122.891 122.820 0.026 0.000 1.968 350 A HA 0.198 4.518 4.320 -0.000 0.000 0.217 350 A C 2.298 179.954 177.584 0.120 0.000 1.169 350 A CA 1.449 53.552 52.037 0.110 0.000 0.638 350 A CB -0.316 18.775 19.000 0.151 0.000 0.812 350 A HN 0.431 nan 8.150 nan 0.000 0.446 351 L N 0.261 121.549 121.223 0.109 0.000 2.201 351 L HA 0.029 4.369 4.340 -0.000 0.000 0.212 351 L C 2.258 179.266 176.870 0.232 0.000 1.105 351 L CA 1.795 56.729 54.840 0.157 0.000 0.775 351 L CB -0.985 41.141 42.059 0.112 0.000 0.913 351 L HN 0.301 nan 8.230 nan 0.000 0.440 352 G N -0.118 108.775 108.800 0.155 0.000 2.545 352 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.217 352 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.217 352 G C 1.548 176.596 174.900 0.246 0.000 1.218 352 G CA 1.253 46.489 45.100 0.227 0.000 0.787 352 G HN 0.451 nan 8.290 nan 0.000 0.571 353 M N 0.327 119.999 119.600 0.119 0.000 2.229 353 M HA 0.103 4.582 4.480 -0.000 0.000 0.264 353 M C 2.156 178.562 176.300 0.177 0.000 1.063 353 M CA 1.386 56.851 55.300 0.275 0.000 1.114 353 M CB -0.152 32.621 32.600 0.289 0.000 1.387 353 M HN 0.135 nan 8.290 nan 0.000 0.420 354 E N -0.015 120.291 120.200 0.177 0.000 2.150 354 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 354 E C 2.162 178.774 176.600 0.021 0.000 0.985 354 E CA 0.666 57.148 56.400 0.138 0.000 0.814 354 E CB -0.384 29.423 29.700 0.177 0.000 0.752 354 E HN 0.471 nan 8.360 nan 0.000 0.466 355 R N 0.732 121.214 120.500 -0.030 0.000 2.062 355 R HA -0.013 4.327 4.340 -0.000 0.000 0.231 355 R C 2.221 178.367 176.300 -0.257 0.000 1.136 355 R CA 1.285 57.263 56.100 -0.204 0.000 0.948 355 R CB -0.676 29.295 30.300 -0.548 0.000 0.845 355 R HN 0.138 nan 8.270 nan 0.000 0.430 356 A N 1.159 123.703 122.820 -0.461 0.000 1.903 356 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 356 A C 2.328 179.753 177.584 -0.265 0.000 1.191 356 A CA 1.784 53.427 52.037 -0.656 0.000 0.638 356 A CB -0.708 17.867 19.000 -0.707 0.000 0.823 356 A HN 0.427 nan 8.150 nan 0.000 0.451 357 I N -1.012 119.441 120.570 -0.194 0.000 2.315 357 I HA -0.213 3.957 4.170 -0.000 0.000 0.248 357 I C 2.390 178.424 176.117 -0.139 0.000 1.117 357 I CA 1.983 63.161 61.300 -0.203 0.000 1.404 357 I CB -0.091 37.718 38.000 -0.318 0.000 1.071 357 I HN 0.513 nan 8.210 nan 0.000 0.419 358 E N 0.026 120.167 120.200 -0.099 0.000 2.077 358 E HA -0.333 4.016 4.350 -0.000 0.000 0.193 358 E C 2.215 178.801 176.600 -0.022 0.000 0.989 358 E CA 1.559 57.923 56.400 -0.059 0.000 0.800 358 E CB -0.191 29.446 29.700 -0.104 0.000 0.746 358 E HN 0.515 nan 8.360 nan 0.000 0.452 359 H N 0.151 119.106 119.070 -0.191 0.000 2.270 359 H HA -0.133 4.423 4.556 -0.000 0.000 0.299 359 H C 2.071 177.217 175.328 -0.304 0.000 1.077 359 H CA 1.748 57.560 56.048 -0.393 0.000 1.294 359 H CB -0.761 28.777 29.762 -0.373 0.000 1.371 359 H HN 0.299 nan 8.280 nan 0.000 0.491 360 L N 0.791 121.933 121.223 -0.134 0.000 2.021 360 L HA -0.193 4.147 4.340 -0.000 0.000 0.215 360 L C 2.576 179.363 176.870 -0.138 0.000 1.074 360 L CA 2.423 57.159 54.840 -0.172 0.000 0.760 360 L CB -1.289 40.668 42.059 -0.170 0.000 0.889 360 L HN 0.344 nan 8.230 nan 0.000 0.433 361 A N -0.716 122.039 122.820 -0.108 0.000 1.902 361 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 361 A C 2.294 179.846 177.584 -0.054 0.000 1.181 361 A CA 1.652 53.635 52.037 -0.090 0.000 0.623 361 A CB -0.526 18.438 19.000 -0.059 0.000 0.818 361 A HN 0.466 nan 8.150 nan 0.000 0.443 362 R N -0.556 119.944 120.500 -0.000 0.000 2.096 362 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 362 R C 2.366 178.667 176.300 0.002 0.000 1.127 362 R CA 1.254 57.383 56.100 0.049 0.000 0.968 362 R CB -1.644 28.749 30.300 0.155 0.000 0.861 362 R HN 0.537 nan 8.270 nan 0.000 0.440 363 G N 1.937 110.710 108.800 -0.044 0.000 2.503 363 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.221 363 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.221 363 G C 1.358 176.221 174.900 -0.061 0.000 1.131 363 G CA 1.246 46.305 45.100 -0.069 0.000 0.756 363 G HN 0.445 nan 8.290 nan 0.000 0.572 364 M N -0.880 118.646 119.600 -0.124 0.000 2.475 364 M HA 0.516 4.995 4.480 -0.000 0.000 0.283 364 M C 1.392 177.626 176.300 -0.110 0.000 1.165 364 M CA 0.371 55.561 55.300 -0.183 0.000 0.976 364 M CB 0.544 32.832 32.600 -0.520 0.000 1.428 364 M HN 0.247 nan 8.290 nan 0.000 0.495 365 G N 1.983 110.748 108.800 -0.059 0.000 2.166 365 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.260 365 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.260 365 G C 0.140 175.012 174.900 -0.047 0.000 0.986 365 G CA 0.374 45.452 45.100 -0.035 0.000 0.683 365 G HN 0.591 nan 8.290 nan 0.000 0.527 366 R N 0.136 120.593 120.500 -0.072 0.000 2.532 366 R HA 0.415 4.754 4.340 -0.000 0.000 0.272 366 R C -0.374 175.905 176.300 -0.036 0.000 1.032 366 R CA -0.481 55.580 56.100 -0.065 0.000 1.089 366 R CB 0.506 30.746 30.300 -0.099 0.000 1.098 366 R HN 0.211 nan 8.270 nan 0.000 0.526 367 D N 2.839 123.223 120.400 -0.026 0.000 2.343 367 D HA 0.096 4.736 4.640 -0.000 0.000 0.255 367 D C -1.748 174.556 176.300 0.006 0.000 1.187 367 D CA -2.032 51.967 54.000 -0.002 0.000 0.875 367 D CB 1.441 42.239 40.800 -0.003 0.000 1.136 367 D HN 0.144 nan 8.370 nan 0.000 0.469 368 P HA -0.251 nan 4.420 nan 0.000 0.217 368 P C 1.095 178.415 177.300 0.032 0.000 1.158 368 P CA 2.384 65.497 63.100 0.023 0.000 0.887 368 P CB 0.012 31.751 31.700 0.064 0.000 0.792 369 A N -0.087 122.791 122.820 0.096 0.000 1.884 369 A HA -0.283 4.037 4.320 -0.000 0.000 0.219 369 A C 2.197 179.805 177.584 0.039 0.000 1.197 369 A CA 2.126 54.238 52.037 0.125 0.000 0.637 369 A CB -1.300 17.857 19.000 0.263 0.000 0.827 369 A HN 0.123 nan 8.150 nan 0.000 0.450 370 E N -0.669 119.543 120.200 0.019 0.000 2.106 370 E HA -0.127 4.223 4.350 -0.000 0.000 0.192 370 E C 1.920 178.472 176.600 -0.080 0.000 0.984 370 E CA 0.808 57.193 56.400 -0.026 0.000 0.806 370 E CB -0.633 29.057 29.700 -0.017 0.000 0.750 370 E HN 0.474 nan 8.360 nan 0.000 0.458 371 L N 1.417 122.592 121.223 -0.080 0.000 2.012 371 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 371 L C 2.215 178.978 176.870 -0.179 0.000 1.073 371 L CA 1.766 56.530 54.840 -0.126 0.000 0.748 371 L CB -0.289 41.691 42.059 -0.131 0.000 0.891 371 L HN 0.005 nan 8.230 nan 0.000 0.431 372 R N -0.921 119.483 120.500 -0.161 0.000 2.061 372 R HA -0.082 4.258 4.340 -0.000 0.000 0.230 372 R C 2.200 178.108 176.300 -0.654 0.000 1.140 372 R CA 1.316 57.300 56.100 -0.193 0.000 0.940 372 R CB -0.939 29.400 30.300 0.064 0.000 0.839 372 R HN 0.448 nan 8.270 nan 0.000 0.429 373 A N 1.592 124.059 122.820 -0.588 0.000 1.958 373 A HA -0.202 4.118 4.320 -0.000 0.000 0.221 373 A C 2.135 179.444 177.584 -0.460 0.000 1.178 373 A CA 1.424 53.062 52.037 -0.664 0.000 0.642 373 A CB -0.574 18.333 19.000 -0.155 0.000 0.816 373 A HN 0.260 nan 8.150 nan 0.000 0.453 374 L N -0.614 120.454 121.223 -0.258 0.000 2.465 374 L HA -0.005 4.335 4.340 -0.000 0.000 0.224 374 L C 1.202 178.018 176.870 -0.090 0.000 1.145 374 L CA 1.288 56.053 54.840 -0.125 0.000 0.834 374 L CB -0.123 41.883 42.059 -0.088 0.000 0.944 374 L HN 0.393 nan 8.230 nan 0.000 0.451 375 N N -1.841 116.780 118.700 -0.131 0.000 2.170 375 N HA 0.131 4.871 4.740 -0.000 0.000 0.222 375 N C -0.101 175.533 175.510 0.207 0.000 1.218 375 N CA -0.128 52.952 53.050 0.051 0.000 0.889 375 N CB 0.467 38.971 38.487 0.028 0.000 1.083 375 N HN 0.175 nan 8.380 nan 0.000 0.520 376 F N 0.861 120.914 119.950 0.171 0.000 2.586 376 F HA 0.011 4.538 4.527 -0.000 0.000 0.344 376 F C 1.062 176.879 175.800 0.029 0.000 1.188 376 F CA -0.564 57.462 58.000 0.044 0.000 1.359 376 F CB 0.327 39.352 39.000 0.041 0.000 1.129 376 F HN -0.015 nan 8.300 nan 0.000 0.609 377 Y N 0.763 121.238 120.300 0.291 0.000 2.511 377 Y HA -0.072 4.478 4.550 -0.000 0.000 0.347 377 Y C 0.725 176.685 175.900 0.100 0.000 1.257 377 Y CA -0.202 57.996 58.100 0.163 0.000 1.469 377 Y CB 0.113 38.629 38.460 0.092 0.000 1.353 377 Y HN 0.400 nan 8.280 nan 0.000 0.617 378 D N 2.979 123.499 120.400 0.200 0.000 2.341 378 D HA 0.154 4.794 4.640 -0.000 0.000 0.245 378 D C -2.092 174.253 176.300 0.075 0.000 1.106 378 D CA -1.126 52.931 54.000 0.095 0.000 0.905 378 D CB 0.761 41.576 40.800 0.024 0.000 1.202 378 D HN 0.250 nan 8.370 nan 0.000 0.426 379 P HA 0.117 nan 4.420 nan 0.000 0.272 379 P C -2.471 174.839 177.300 0.016 0.000 1.248 379 P CA -0.679 62.431 63.100 0.017 0.000 0.799 379 P CB -0.371 31.344 31.700 0.024 0.000 0.997 380 P HA 0.378 nan 4.420 nan 0.000 0.279 380 P C -0.805 176.505 177.300 0.017 0.000 1.252 380 P CA 0.073 63.182 63.100 0.016 0.000 0.811 380 P CB 0.370 32.081 31.700 0.018 0.000 1.035 399 K N 0.531 120.932 120.400 0.002 0.000 5.778 399 K HA -0.176 4.144 4.320 -0.000 0.000 0.585 399 K C -1.389 175.203 176.600 -0.014 0.000 1.547 399 K CA 1.243 57.530 56.287 -0.001 0.000 1.421 399 K CB -2.269 30.233 32.500 0.003 0.000 1.834 399 K HN 0.671 nan 8.250 nan 0.000 0.313 400 T N 3.979 118.529 114.554 -0.008 0.000 2.922 400 T HA 0.260 4.609 4.350 -0.000 0.000 0.285 400 T C 0.465 175.152 174.700 -0.020 0.000 1.005 400 T CA -0.705 61.386 62.100 -0.015 0.000 1.061 400 T CB 1.119 69.987 68.868 0.001 0.000 1.007 400 T HN 0.495 nan 8.240 nan 0.000 0.502 401 Q N 1.135 120.909 119.800 -0.043 0.000 2.417 401 Q HA 0.456 4.796 4.340 -0.000 0.000 0.241 401 Q C 0.473 176.522 176.000 0.083 0.000 1.008 401 Q CA -0.427 55.354 55.803 -0.037 0.000 0.901 401 Q CB 0.594 29.244 28.738 -0.148 0.000 1.259 401 Q HN 0.805 nan 8.270 nan 0.000 0.489 402 T N -2.729 111.943 114.554 0.197 0.000 2.926 402 T HA 0.546 4.896 4.350 -0.000 0.000 0.289 402 T C 0.170 174.989 174.700 0.198 0.000 1.054 402 T CA -0.884 61.275 62.100 0.099 0.000 1.015 402 T CB 1.487 70.384 68.868 0.047 0.000 1.167 402 T HN 0.675 nan 8.240 nan 0.000 0.526 403 T N -1.304 113.197 114.554 -0.088 0.000 2.770 403 T HA 0.215 4.565 4.350 -0.000 0.000 0.281 403 T C 1.386 176.040 174.700 -0.077 0.000 0.981 403 T CA -0.349 61.697 62.100 -0.090 0.000 0.955 403 T CB 0.097 68.535 68.868 -0.716 0.000 1.060 403 T HN 0.908 nan 8.240 nan 0.000 0.531 404 H N -0.152 118.961 119.070 0.072 0.000 2.567 404 H HA -0.015 4.541 4.556 -0.000 0.000 0.276 404 H C 0.704 176.161 175.328 0.215 0.000 1.016 404 H CA 0.706 56.857 56.048 0.172 0.000 1.186 404 H CB -0.956 28.968 29.762 0.270 0.000 1.351 404 H HN 0.929 nan 8.280 nan 0.000 0.605 405 Y N -1.789 118.387 120.300 -0.207 0.000 2.557 405 Y HA 0.503 5.053 4.550 -0.000 0.000 0.247 405 Y C 1.332 177.184 175.900 -0.080 0.000 1.164 405 Y CA -0.748 57.239 58.100 -0.189 0.000 1.218 405 Y CB 0.251 38.529 38.460 -0.305 0.000 1.210 405 Y HN 0.149 nan 8.280 nan 0.000 0.529 406 G N 1.766 110.460 108.800 -0.176 0.000 2.289 406 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.280 406 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.280 406 G C -0.412 174.413 174.900 -0.125 0.000 1.089 406 G CA 0.318 45.360 45.100 -0.096 0.000 0.939 406 G HN 0.715 nan 8.290 nan 0.000 0.499 407 Q N -0.147 119.492 119.800 -0.269 0.000 2.340 407 Q HA 0.613 4.953 4.340 -0.000 0.000 0.268 407 Q C 0.123 176.073 176.000 -0.084 0.000 1.031 407 Q CA -0.885 54.842 55.803 -0.127 0.000 0.804 407 Q CB 1.470 30.162 28.738 -0.077 0.000 1.286 407 Q HN 0.467 nan 8.270 nan 0.000 0.448 408 E N 1.660 121.852 120.200 -0.014 0.000 2.398 408 E HA 0.130 4.480 4.350 -0.000 0.000 0.263 408 E C -0.746 175.862 176.600 0.015 0.000 1.046 408 E CA -0.253 56.144 56.400 -0.004 0.000 0.908 408 E CB 1.236 30.945 29.700 0.015 0.000 0.963 408 E HN 0.397 nan 8.360 nan 0.000 0.431 409 V N 2.535 122.419 119.914 -0.049 0.000 2.277 409 V HA 0.241 4.361 4.120 -0.000 0.000 0.269 409 V C 0.426 176.529 176.094 0.015 0.000 1.036 409 V CA -0.011 62.248 62.300 -0.068 0.000 0.821 409 V CB 0.748 32.272 31.823 -0.499 0.000 1.052 409 V HN 0.798 nan 8.190 nan 0.000 0.462 410 A N 3.553 126.429 122.820 0.095 0.000 2.503 410 A HA 0.338 4.658 4.320 -0.000 0.000 0.263 410 A C 0.772 178.405 177.584 0.081 0.000 1.258 410 A CA 0.209 52.287 52.037 0.069 0.000 0.936 410 A CB -0.024 19.014 19.000 0.062 0.000 1.070 410 A HN 0.780 nan 8.150 nan 0.000 0.522 411 D N -2.107 118.365 120.400 0.120 0.000 2.672 411 D HA 0.049 4.689 4.640 -0.000 0.000 0.287 411 D C -0.136 176.119 176.300 -0.074 0.000 1.559 411 D CA -0.249 53.801 54.000 0.085 0.000 0.796 411 D CB -1.405 39.504 40.800 0.182 0.000 1.181 411 D HN 0.078 nan 8.370 nan 0.000 0.458 412 C N 1.979 121.212 119.300 -0.112 0.000 2.520 412 C HA 0.461 4.921 4.460 -0.000 0.000 0.369 412 C C 1.454 176.150 174.990 -0.490 0.000 1.244 412 C CA -0.261 58.493 59.018 -0.441 0.000 1.677 412 C CB -0.891 26.834 27.740 -0.024 0.000 2.324 412 C HN 0.334 nan 8.230 nan 0.000 0.557 413 V N 5.942 125.380 119.914 -0.794 0.000 3.177 413 V HA 0.224 4.344 4.120 -0.000 0.000 0.342 413 V C 1.384 177.115 176.094 -0.605 0.000 1.379 413 V CA 0.438 62.436 62.300 -0.504 0.000 1.191 413 V CB -0.867 30.692 31.823 -0.440 0.000 1.167 413 V HN 0.898 nan 8.190 nan 0.000 0.471 414 L N 1.278 122.121 121.223 -0.633 0.000 2.012 414 L HA -0.031 4.309 4.340 -0.000 0.000 0.210 414 L C 2.799 179.398 176.870 -0.451 0.000 1.073 414 L CA 2.186 56.620 54.840 -0.676 0.000 0.748 414 L CB -0.959 40.492 42.059 -1.014 0.000 0.891 414 L HN 0.547 nan 8.230 nan 0.000 0.431 415 G N -0.662 108.031 108.800 -0.178 0.000 2.586 415 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.218 415 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.218 415 G C 1.437 176.350 174.900 0.022 0.000 1.216 415 G CA 1.001 46.157 45.100 0.095 0.000 0.786 415 G HN 0.388 nan 8.290 nan 0.000 0.583 416 E N -0.293 119.892 120.200 -0.025 0.000 2.058 416 E HA -0.095 4.255 4.350 -0.000 0.000 0.194 416 E C 2.551 179.146 176.600 -0.008 0.000 0.997 416 E CA 0.899 57.331 56.400 0.054 0.000 0.801 416 E CB -0.176 29.630 29.700 0.177 0.000 0.746 416 E HN 0.423 nan 8.360 nan 0.000 0.450 417 L N 0.304 121.325 121.223 -0.336 0.000 1.994 417 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 417 L C 2.437 179.214 176.870 -0.156 0.000 1.071 417 L CA 1.032 55.604 54.840 -0.446 0.000 0.745 417 L CB -0.235 41.310 42.059 -0.857 0.000 0.892 417 L HN -0.000 nan 8.230 nan 0.000 0.431 418 V N -0.161 119.670 119.914 -0.139 0.000 2.282 418 V HA -0.384 3.736 4.120 -0.000 0.000 0.249 418 V C 2.534 178.649 176.094 0.034 0.000 1.057 418 V CA 2.506 64.795 62.300 -0.018 0.000 1.032 418 V CB -1.130 30.767 31.823 0.124 0.000 0.645 418 V HN 0.586 nan 8.190 nan 0.000 0.447 419 T N -0.379 114.217 114.554 0.069 0.000 2.635 419 T HA -0.302 4.048 4.350 -0.000 0.000 0.267 419 T C 2.018 176.770 174.700 0.087 0.000 1.040 419 T CA 2.049 64.204 62.100 0.092 0.000 1.156 419 T CB -0.370 68.556 68.868 0.098 0.000 0.863 419 T HN 0.427 nan 8.240 nan 0.000 0.430 420 R N 0.395 120.954 120.500 0.098 0.000 2.127 420 R HA -0.101 4.238 4.340 -0.000 0.000 0.238 420 R C 2.363 178.715 176.300 0.087 0.000 1.134 420 R CA 1.176 57.348 56.100 0.119 0.000 0.975 420 R CB -0.416 30.009 30.300 0.207 0.000 0.865 420 R HN 0.305 nan 8.270 nan 0.000 0.447 421 L N 1.001 122.256 121.223 0.052 0.000 2.044 421 L HA -0.114 4.226 4.340 -0.000 0.000 0.205 421 L C 2.064 178.938 176.870 0.007 0.000 1.075 421 L CA 1.716 56.567 54.840 0.018 0.000 0.747 421 L CB -0.482 41.561 42.059 -0.028 0.000 0.903 421 L HN 0.199 nan 8.230 nan 0.000 0.435 422 Q N -0.495 119.312 119.800 0.011 0.000 2.096 422 Q HA -0.273 4.067 4.340 -0.000 0.000 0.204 422 Q C 2.228 178.316 176.000 0.146 0.000 0.982 422 Q CA 2.228 58.073 55.803 0.071 0.000 0.850 422 Q CB -0.088 28.760 28.738 0.184 0.000 0.901 422 Q HN 0.477 nan 8.270 nan 0.000 0.422 423 K N -0.192 120.275 120.400 0.111 0.000 2.116 423 K HA -0.067 4.253 4.320 -0.000 0.000 0.203 423 K C 2.291 178.941 176.600 0.083 0.000 1.052 423 K CA 1.275 57.622 56.287 0.101 0.000 0.952 423 K CB 0.041 32.592 32.500 0.085 0.000 0.729 423 K HN 0.152 nan 8.250 nan 0.000 0.446 424 S N 0.244 115.986 115.700 0.071 0.000 2.428 424 S HA -0.009 4.461 4.470 -0.000 0.000 0.230 424 S C 1.940 176.574 174.600 0.057 0.000 1.014 424 S CA 0.774 59.009 58.200 0.058 0.000 0.957 424 S CB 0.088 63.320 63.200 0.053 0.000 0.784 424 S HN 0.218 nan 8.310 nan 0.000 0.499 425 A N 0.924 123.783 122.820 0.065 0.000 2.275 425 A HA 0.392 4.712 4.320 -0.000 0.000 0.212 425 A C 0.859 178.509 177.584 0.109 0.000 1.201 425 A CA 0.221 52.299 52.037 0.069 0.000 0.843 425 A CB -0.902 18.125 19.000 0.044 0.000 0.873 425 A HN 0.659 nan 8.150 nan 0.000 0.492 426 N N -2.852 115.921 118.700 0.122 0.000 2.783 426 N HA -0.214 4.525 4.740 -0.000 0.000 0.247 426 N C 0.170 175.782 175.510 0.170 0.000 1.089 426 N CA 0.694 53.812 53.050 0.115 0.000 0.690 426 N CB -1.714 36.818 38.487 0.075 0.000 0.991 426 N HN 0.420 nan 8.380 nan 0.000 0.552 427 F N 0.076 120.037 119.950 0.018 0.000 2.102 427 F HA -0.083 4.444 4.527 -0.000 0.000 0.298 427 F C 2.271 178.079 175.800 0.014 0.000 1.105 427 F CA 2.104 60.114 58.000 0.017 0.000 1.239 427 F CB -0.774 38.243 39.000 0.028 0.000 0.991 427 F HN 0.226 nan 8.300 nan 0.000 0.474 428 T N -0.758 113.746 114.554 -0.084 0.000 2.668 428 T HA -0.164 4.185 4.350 -0.000 0.000 0.262 428 T C 1.989 176.600 174.700 -0.148 0.000 1.045 428 T CA 2.204 64.179 62.100 -0.209 0.000 1.152 428 T CB -0.647 68.179 68.868 -0.071 0.000 0.864 428 T HN 0.245 nan 8.240 nan 0.000 0.419 429 T N 1.730 116.250 114.554 -0.058 0.000 2.699 429 T HA -0.112 4.238 4.350 -0.000 0.000 0.268 429 T C 2.179 176.850 174.700 -0.048 0.000 1.036 429 T CA 1.123 63.200 62.100 -0.038 0.000 1.147 429 T CB -0.160 68.704 68.868 -0.005 0.000 0.862 429 T HN 0.264 nan 8.240 nan 0.000 0.446 430 R N 0.215 120.691 120.500 -0.040 0.000 2.081 430 R HA -0.023 4.317 4.340 -0.000 0.000 0.235 430 R C 2.674 178.925 176.300 -0.081 0.000 1.131 430 R CA 1.334 57.413 56.100 -0.034 0.000 0.960 430 R CB -0.283 30.032 30.300 0.025 0.000 0.856 430 R HN 0.269 nan 8.270 nan 0.000 0.436 431 R N 0.451 120.843 120.500 -0.179 0.000 2.096 431 R HA -0.199 4.141 4.340 -0.000 0.000 0.240 431 R C 2.174 178.409 176.300 -0.108 0.000 1.139 431 R CA 1.917 57.895 56.100 -0.203 0.000 0.952 431 R CB -0.312 29.753 30.300 -0.392 0.000 0.854 431 R HN 0.257 nan 8.270 nan 0.000 0.436 432 A N 0.531 123.297 122.820 -0.091 0.000 1.845 432 A HA -0.211 4.109 4.320 -0.000 0.000 0.215 432 A C 1.942 179.520 177.584 -0.010 0.000 1.195 432 A CA 1.745 53.756 52.037 -0.044 0.000 0.616 432 A CB -0.734 18.242 19.000 -0.039 0.000 0.832 432 A HN 0.491 nan 8.150 nan 0.000 0.443 433 E N -0.379 119.815 120.200 -0.009 0.000 2.164 433 E HA -0.255 4.095 4.350 -0.000 0.000 0.206 433 E C 1.840 178.469 176.600 0.047 0.000 1.032 433 E CA 1.794 58.205 56.400 0.018 0.000 0.832 433 E CB -0.386 29.311 29.700 -0.006 0.000 0.742 433 E HN 0.714 nan 8.360 nan 0.000 0.460 434 I N 0.364 120.938 120.570 0.007 0.000 2.142 434 I HA -0.295 3.874 4.170 -0.000 0.000 0.240 434 I C 2.546 178.727 176.117 0.105 0.000 1.078 434 I CA 0.894 62.213 61.300 0.031 0.000 1.343 434 I CB -0.491 37.492 38.000 -0.028 0.000 1.046 434 I HN 0.148 nan 8.210 nan 0.000 0.405 435 A N 1.154 124.005 122.820 0.052 0.000 1.859 435 A HA -0.327 3.993 4.320 -0.000 0.000 0.218 435 A C 2.560 180.191 177.584 0.079 0.000 1.209 435 A CA 2.695 54.763 52.037 0.051 0.000 0.639 435 A CB -1.271 17.737 19.000 0.014 0.000 0.835 435 A HN 0.469 nan 8.150 nan 0.000 0.450 436 A N -1.574 121.290 122.820 0.074 0.000 1.870 436 A HA -0.321 3.998 4.320 -0.000 0.000 0.219 436 A C 2.012 179.676 177.584 0.133 0.000 1.286 436 A CA 2.261 54.348 52.037 0.083 0.000 0.682 436 A CB -1.570 17.482 19.000 0.086 0.000 0.844 436 A HN 0.994 nan 8.150 nan 0.000 0.460 437 W N 1.041 122.329 121.300 -0.020 0.000 2.304 437 W HA -0.278 4.382 4.660 -0.000 0.000 0.315 437 W C 2.094 178.600 176.519 -0.021 0.000 1.233 437 W CA 2.419 59.754 57.345 -0.018 0.000 1.261 437 W CB -0.307 29.143 29.460 -0.016 0.000 1.150 437 W HN 0.456 nan 8.180 nan 0.000 0.494 438 N N -0.018 118.887 118.700 0.342 0.000 2.104 438 N HA -0.210 4.530 4.740 -0.000 0.000 0.190 438 N C 1.895 177.398 175.510 -0.012 0.000 1.024 438 N CA 2.275 55.431 53.050 0.176 0.000 0.853 438 N CB -1.242 37.343 38.487 0.163 0.000 1.008 438 N HN 0.291 nan 8.380 nan 0.000 0.424 439 S N -1.320 114.377 115.700 -0.005 0.000 2.537 439 S HA -0.012 4.458 4.470 -0.000 0.000 0.240 439 S C 1.284 175.829 174.600 -0.092 0.000 0.981 439 S CA 0.930 59.105 58.200 -0.042 0.000 0.948 439 S CB -0.265 62.922 63.200 -0.022 0.000 0.759 439 S HN 0.181 nan 8.310 nan 0.000 0.531 440 T N 1.242 115.700 114.554 -0.161 0.000 3.085 440 T HA 0.327 4.677 4.350 -0.000 0.000 0.264 440 T C -0.197 174.323 174.700 -0.299 0.000 1.019 440 T CA -0.374 61.601 62.100 -0.208 0.000 0.910 440 T CB -0.188 68.536 68.868 -0.240 0.000 1.059 440 T HN 0.445 nan 8.240 nan 0.000 0.542 441 N N 1.016 119.527 118.700 -0.315 0.000 2.269 441 N HA 0.428 5.168 4.740 -0.000 0.000 0.304 441 N C 0.714 176.109 175.510 -0.192 0.000 1.072 441 N CA -0.791 52.047 53.050 -0.353 0.000 0.802 441 N CB 1.673 39.789 38.487 -0.618 0.000 1.348 441 N HN 0.057 nan 8.380 nan 0.000 0.484 442 R N 0.347 120.755 120.500 -0.153 0.000 2.509 442 R HA 0.249 4.589 4.340 -0.000 0.000 0.297 442 R C -0.345 175.915 176.300 -0.067 0.000 0.951 442 R CA 0.163 56.208 56.100 -0.092 0.000 1.103 442 R CB 0.332 30.587 30.300 -0.076 0.000 1.283 442 R HN 0.453 nan 8.270 nan 0.000 0.534 443 T N 0.417 114.927 114.554 -0.073 0.000 2.987 443 T HA 0.359 4.709 4.350 -0.000 0.000 0.248 443 T C 0.439 175.138 174.700 -0.002 0.000 0.997 443 T CA 0.059 62.138 62.100 -0.036 0.000 1.013 443 T CB 0.397 69.245 68.868 -0.033 0.000 1.077 443 T HN -0.011 nan 8.240 nan 0.000 0.483 444 L N 1.163 122.390 121.223 0.007 0.000 2.334 444 L HA 0.850 5.190 4.340 -0.000 0.000 0.270 444 L C -0.598 176.391 176.870 0.197 0.000 1.018 444 L CA -1.130 53.789 54.840 0.132 0.000 0.811 444 L CB 1.608 43.839 42.059 0.286 0.000 1.271 444 L HN 0.101 nan 8.230 nan 0.000 0.443 445 A N 1.914 124.880 122.820 0.243 0.000 2.520 445 A HA 0.689 5.009 4.320 -0.000 0.000 0.298 445 A C -1.095 176.596 177.584 0.180 0.000 1.051 445 A CA -0.710 51.486 52.037 0.266 0.000 0.690 445 A CB 1.773 20.838 19.000 0.108 0.000 1.281 445 A HN 0.711 nan 8.150 nan 0.000 0.402 446 R N 0.320 120.913 120.500 0.154 0.000 2.598 446 R HA 0.715 5.055 4.340 -0.000 0.000 0.279 446 R C 0.078 176.364 176.300 -0.023 0.000 0.984 446 R CA -0.320 55.749 56.100 -0.051 0.000 0.999 446 R CB 2.232 32.362 30.300 -0.283 0.000 1.114 446 R HN 0.929 nan 8.270 nan 0.000 0.493 447 G N 1.030 109.802 108.800 -0.046 0.000 2.619 447 G HA2 0.676 4.635 3.960 -0.000 0.000 0.296 447 G HA3 0.676 4.635 3.960 -0.000 0.000 0.296 447 G C -1.520 173.378 174.900 -0.003 0.000 1.334 447 G CA -0.473 44.613 45.100 -0.024 0.000 0.934 447 G HN 0.477 nan 8.290 nan 0.000 0.476 448 I N 0.117 120.711 120.570 0.041 0.000 2.752 448 I HA 0.726 4.896 4.170 -0.000 0.000 0.295 448 I C -0.834 175.386 176.117 0.171 0.000 1.219 448 I CA -0.920 60.439 61.300 0.099 0.000 1.030 448 I CB 2.172 40.252 38.000 0.132 0.000 1.259 448 I HN 0.860 nan 8.210 nan 0.000 0.423 449 A N 6.449 129.368 122.820 0.165 0.000 2.594 449 A HA 0.726 5.046 4.320 -0.000 0.000 0.295 449 A C -2.168 175.462 177.584 0.077 0.000 1.071 449 A CA -0.515 51.622 52.037 0.166 0.000 0.685 449 A CB 1.938 21.008 19.000 0.117 0.000 1.285 449 A HN 0.685 nan 8.150 nan 0.000 0.405 450 L N 1.835 123.087 121.223 0.048 0.000 2.322 450 L HA 0.840 5.180 4.340 -0.000 0.000 0.281 450 L C -0.079 176.820 176.870 0.049 0.000 1.014 450 L CA 0.132 54.929 54.840 -0.072 0.000 0.815 450 L CB 1.871 43.802 42.059 -0.213 0.000 1.247 450 L HN 0.972 nan 8.230 nan 0.000 0.421 451 S N 6.190 121.927 115.700 0.061 0.000 2.538 451 S HA 0.809 5.279 4.470 -0.000 0.000 0.288 451 S C -3.069 171.599 174.600 0.114 0.000 1.108 451 S CA -1.138 57.134 58.200 0.120 0.000 0.971 451 S CB 2.300 65.574 63.200 0.122 0.000 1.041 451 S HN 0.596 nan 8.310 nan 0.000 0.483 452 P HA 0.655 nan 4.420 nan 0.000 0.289 452 P C -1.350 175.989 177.300 0.065 0.000 1.293 452 P CA -0.809 62.338 63.100 0.079 0.000 0.897 452 P CB 1.901 33.653 31.700 0.086 0.000 1.166 453 V N 1.539 121.474 119.914 0.035 0.000 2.709 453 V HA 0.509 4.629 4.120 -0.000 0.000 0.308 453 V C -0.168 175.912 176.094 -0.023 0.000 1.062 453 V CA -0.504 61.831 62.300 0.059 0.000 0.901 453 V CB 2.106 34.001 31.823 0.121 0.000 1.003 453 V HN 0.690 nan 8.190 nan 0.000 0.425 454 K N 4.247 124.620 120.400 -0.046 0.000 2.541 454 K HA 0.660 4.980 4.320 -0.000 0.000 0.250 454 K C -2.202 174.389 176.600 -0.015 0.000 0.950 454 K CA -0.438 55.673 56.287 -0.293 0.000 0.805 454 K CB 1.848 34.125 32.500 -0.371 0.000 1.166 454 K HN 0.483 nan 8.250 nan 0.000 0.430 455 F N 2.426 122.270 119.950 -0.176 0.000 2.539 455 F HA 0.569 5.096 4.527 -0.000 0.000 0.318 455 F C 0.046 175.775 175.800 -0.118 0.000 1.135 455 F CA -0.365 57.625 58.000 -0.017 0.000 0.915 455 F CB 2.031 40.986 39.000 -0.075 0.000 1.176 455 F HN 0.733 nan 8.300 nan 0.000 0.440 456 G N 5.826 114.296 108.800 -0.550 0.000 2.467 456 G HA2 0.487 4.447 3.960 -0.000 0.000 0.257 456 G HA3 0.487 4.447 3.960 -0.000 0.000 0.257 456 G C -1.090 173.140 174.900 -1.116 0.000 1.227 456 G CA -0.420 43.812 45.100 -1.446 0.000 0.835 456 G HN 0.471 nan 8.290 nan 0.000 0.556 457 I N 0.923 120.994 120.570 -0.830 0.000 2.418 457 I HA 0.577 4.747 4.170 -0.000 0.000 0.287 457 I C 0.084 176.085 176.117 -0.195 0.000 1.008 457 I CA -0.336 60.678 61.300 -0.477 0.000 1.104 457 I CB 0.642 38.101 38.000 -0.901 0.000 1.264 457 I HN 0.537 nan 8.210 nan 0.000 0.438 458 S N 4.512 120.164 115.700 -0.080 0.000 2.899 458 S HA 0.118 4.588 4.470 -0.000 0.000 0.249 458 S C -0.821 173.765 174.600 -0.024 0.000 0.652 458 S CA -0.905 57.282 58.200 -0.020 0.000 1.024 458 S CB -0.023 63.206 63.200 0.050 0.000 1.275 458 S HN 0.300 nan 8.310 nan 0.000 0.563 459 F N 2.406 122.321 119.950 -0.059 0.000 2.529 459 F HA 0.192 4.719 4.527 -0.000 0.000 0.365 459 F C 2.312 178.068 175.800 -0.073 0.000 1.102 459 F CA 0.753 58.700 58.000 -0.089 0.000 1.271 459 F CB 0.752 39.678 39.000 -0.123 0.000 1.120 459 F HN 0.791 nan 8.300 nan 0.000 0.579 460 T N 0.170 114.804 114.554 0.135 0.000 2.962 460 T HA -0.077 4.273 4.350 -0.000 0.000 0.270 460 T C 0.902 175.801 174.700 0.333 0.000 1.088 460 T CA 0.379 62.537 62.100 0.096 0.000 1.127 460 T CB -0.033 68.951 68.868 0.193 0.000 0.883 460 T HN 0.234 nan 8.240 nan 0.000 0.493 461 L N 3.584 124.958 121.223 0.251 0.000 2.404 461 L HA 0.304 4.644 4.340 -0.000 0.000 0.277 461 L C 1.215 178.091 176.870 0.011 0.000 1.184 461 L CA 0.314 55.238 54.840 0.140 0.000 1.013 461 L CB -0.890 41.190 42.059 0.035 0.000 1.318 461 L HN 0.296 nan 8.230 nan 0.000 0.435 462 T N 1.965 116.611 114.554 0.153 0.000 2.649 462 T HA -0.267 4.083 4.350 -0.000 0.000 0.268 462 T C 1.661 176.381 174.700 0.034 0.000 1.036 462 T CA 2.270 64.441 62.100 0.117 0.000 1.157 462 T CB -0.390 68.585 68.868 0.177 0.000 0.861 462 T HN 0.705 nan 8.240 nan 0.000 0.445 463 H N 1.275 120.360 119.070 0.026 0.000 2.560 463 H HA 0.102 4.658 4.556 -0.000 0.000 0.283 463 H C 1.938 177.228 175.328 -0.064 0.000 1.028 463 H CA 0.567 56.615 56.048 -0.001 0.000 1.221 463 H CB -0.897 28.867 29.762 0.004 0.000 1.363 463 H HN 0.358 nan 8.280 nan 0.000 0.594 464 L N 1.029 121.903 121.223 -0.581 0.000 2.465 464 L HA -0.063 4.277 4.340 -0.000 0.000 0.224 464 L C 0.484 177.128 176.870 -0.378 0.000 1.145 464 L CA 0.356 54.781 54.840 -0.691 0.000 0.834 464 L CB -0.269 40.925 42.059 -1.443 0.000 0.944 464 L HN 0.247 nan 8.230 nan 0.000 0.451 465 N N 2.639 121.301 118.700 -0.063 0.000 2.895 465 N HA 0.089 4.829 4.740 -0.000 0.000 0.277 465 N C -0.530 175.001 175.510 0.034 0.000 1.185 465 N CA 0.067 53.185 53.050 0.113 0.000 1.106 465 N CB 0.353 38.945 38.487 0.176 0.000 1.422 465 N HN 0.488 nan 8.380 nan 0.000 0.521 466 Q N -0.190 119.603 119.800 -0.011 0.000 2.456 466 Q HA 0.861 5.200 4.340 -0.000 0.000 0.284 466 Q C -1.717 174.200 176.000 -0.138 0.000 1.061 466 Q CA -1.287 54.447 55.803 -0.116 0.000 0.799 466 Q CB 2.301 31.028 28.738 -0.018 0.000 1.445 466 Q HN 0.242 nan 8.270 nan 0.000 0.411 467 A N 0.290 122.914 122.820 -0.328 0.000 2.612 467 A HA 0.956 5.276 4.320 -0.000 0.000 0.293 467 A C -1.058 176.399 177.584 -0.212 0.000 1.075 467 A CA -0.163 51.783 52.037 -0.151 0.000 0.680 467 A CB 1.926 20.886 19.000 -0.066 0.000 1.279 467 A HN 0.966 nan 8.150 nan 0.000 0.411 468 G N -1.107 107.707 108.800 0.023 0.000 2.642 468 G HA2 0.927 4.887 3.960 -0.000 0.000 0.293 468 G HA3 0.927 4.887 3.960 -0.000 0.000 0.293 468 G C -0.749 174.226 174.900 0.125 0.000 1.341 468 G CA 0.063 45.243 45.100 0.134 0.000 0.916 468 G HN 2.056 nan 8.290 nan 0.000 0.474 469 A N -0.570 122.326 122.820 0.126 0.000 2.587 469 A HA 0.823 5.143 4.320 -0.000 0.000 0.293 469 A C -1.913 175.720 177.584 0.082 0.000 1.087 469 A CA -0.620 51.485 52.037 0.113 0.000 0.692 469 A CB 2.060 21.119 19.000 0.098 0.000 1.291 469 A HN 1.853 nan 8.150 nan 0.000 0.407 470 L N 1.311 122.569 121.223 0.058 0.000 2.439 470 L HA 0.758 5.098 4.340 -0.000 0.000 0.270 470 L C -1.574 175.298 176.870 0.004 0.000 0.972 470 L CA -0.288 54.569 54.840 0.028 0.000 0.836 470 L CB 1.879 43.950 42.059 0.020 0.000 1.255 470 L HN 0.530 nan 8.230 nan 0.000 0.404 471 V N 4.171 124.076 119.914 -0.015 0.000 2.715 471 V HA 0.675 4.795 4.120 -0.000 0.000 0.310 471 V C -0.726 175.311 176.094 -0.094 0.000 1.054 471 V CA -0.594 61.680 62.300 -0.044 0.000 0.928 471 V CB 1.882 33.683 31.823 -0.037 0.000 1.007 471 V HN 0.752 nan 8.190 nan 0.000 0.437 472 Q N 3.832 123.539 119.800 -0.155 0.000 2.304 472 Q HA 0.595 4.935 4.340 -0.000 0.000 0.270 472 Q C -1.257 174.517 176.000 -0.378 0.000 1.035 472 Q CA -0.390 55.234 55.803 -0.297 0.000 0.781 472 Q CB 3.031 31.488 28.738 -0.468 0.000 1.261 472 Q HN 0.659 nan 8.270 nan 0.000 0.444 473 I N 2.965 123.345 120.570 -0.318 0.000 2.339 473 I HA 0.297 4.467 4.170 -0.000 0.000 0.290 473 I C -0.397 175.522 176.117 -0.329 0.000 0.994 473 I CA -0.741 60.410 61.300 -0.248 0.000 1.191 473 I CB 0.574 38.540 38.000 -0.057 0.000 1.343 473 I HN 0.483 nan 8.210 nan 0.000 0.458 474 Y N 2.857 123.135 120.300 -0.037 0.000 2.281 474 Y HA 0.050 4.600 4.550 -0.000 0.000 0.337 474 Y C 2.077 177.910 175.900 -0.112 0.000 1.304 474 Y CA -0.281 57.766 58.100 -0.087 0.000 1.465 474 Y CB 0.579 38.996 38.460 -0.071 0.000 1.350 474 Y HN 0.629 nan 8.280 nan 0.000 0.575 475 T N -3.268 111.277 114.554 -0.015 0.000 3.072 475 T HA -0.146 4.204 4.350 -0.000 0.000 0.266 475 T C 0.817 175.511 174.700 -0.011 0.000 1.127 475 T CA 1.070 63.114 62.100 -0.094 0.000 1.107 475 T CB -0.385 68.347 68.868 -0.225 0.000 0.910 475 T HN 0.744 nan 8.240 nan 0.000 0.513 476 D N 0.705 121.129 120.400 0.040 0.000 2.328 476 D HA 0.203 4.843 4.640 -0.000 0.000 0.226 476 D C 1.617 177.975 176.300 0.095 0.000 1.066 476 D CA 0.464 54.496 54.000 0.054 0.000 0.861 476 D CB -0.731 40.094 40.800 0.043 0.000 0.912 476 D HN 0.567 nan 8.370 nan 0.000 0.521 477 G N 0.266 109.133 108.800 0.112 0.000 2.179 477 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.260 477 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.260 477 G C 0.489 175.534 174.900 0.241 0.000 0.977 477 G CA 0.552 45.774 45.100 0.203 0.000 0.641 477 G HN 0.782 nan 8.290 nan 0.000 0.533 478 S N -1.081 114.728 115.700 0.182 0.000 2.661 478 S HA 0.836 5.306 4.470 -0.000 0.000 0.265 478 S C 0.005 174.705 174.600 0.167 0.000 1.225 478 S CA 0.001 58.298 58.200 0.161 0.000 0.986 478 S CB 2.564 65.852 63.200 0.146 0.000 1.008 478 S HN 1.330 nan 8.310 nan 0.000 0.565 479 V N -0.691 119.297 119.914 0.124 0.000 3.048 479 V HA 0.771 4.891 4.120 -0.000 0.000 0.303 479 V C -0.643 175.480 176.094 0.049 0.000 1.214 479 V CA -0.737 61.589 62.300 0.044 0.000 0.984 479 V CB 1.600 33.429 31.823 0.009 0.000 1.054 479 V HN 1.301 nan 8.190 nan 0.000 0.430 480 A N 3.232 126.047 122.820 -0.007 0.000 2.311 480 A HA 0.846 5.166 4.320 -0.000 0.000 0.306 480 A C -1.169 176.403 177.584 -0.020 0.000 1.189 480 A CA -0.450 51.605 52.037 0.030 0.000 0.791 480 A CB 1.104 20.157 19.000 0.090 0.000 1.172 480 A HN 0.943 nan 8.150 nan 0.000 0.481 481 L N 2.613 123.828 121.223 -0.014 0.000 2.334 481 L HA 0.584 4.924 4.340 -0.000 0.000 0.277 481 L C -0.236 176.632 176.870 -0.004 0.000 1.075 481 L CA -0.077 54.759 54.840 -0.007 0.000 0.804 481 L CB 1.068 43.127 42.059 0.001 0.000 1.174 481 L HN 0.758 nan 8.230 nan 0.000 0.438 482 N N 1.981 120.697 118.700 0.027 0.000 2.324 482 N HA 0.417 5.157 4.740 -0.000 0.000 0.285 482 N C -1.634 173.923 175.510 0.079 0.000 1.076 482 N CA -0.334 52.717 53.050 0.001 0.000 0.864 482 N CB 1.553 40.027 38.487 -0.022 0.000 1.632 482 N HN 0.967 nan 8.380 nan 0.000 0.478 483 H N -0.969 118.103 119.070 0.004 0.000 2.947 483 H HA 0.489 5.045 4.556 -0.000 0.000 0.290 483 H C 0.676 176.034 175.328 0.050 0.000 1.430 483 H CA -0.700 55.365 56.048 0.029 0.000 1.189 483 H CB 0.593 30.373 29.762 0.030 0.000 1.875 483 H HN 0.382 nan 8.280 nan 0.000 0.568 484 G N -0.810 108.049 108.800 0.099 0.000 2.813 484 G HA2 0.265 4.225 3.960 -0.000 0.000 0.209 484 G HA3 0.265 4.225 3.960 -0.000 0.000 0.209 484 G C 0.619 175.534 174.900 0.025 0.000 1.150 484 G CA 0.128 45.246 45.100 0.030 0.000 0.785 484 G HN 0.829 nan 8.290 nan 0.000 0.535 485 G N -0.194 108.698 108.800 0.153 0.000 2.562 485 G HA2 0.475 4.435 3.960 -0.000 0.000 0.275 485 G HA3 0.475 4.435 3.960 -0.000 0.000 0.275 485 G C -0.142 174.763 174.900 0.010 0.000 1.196 485 G CA 0.278 45.477 45.100 0.164 0.000 0.908 485 G HN 0.385 nan 8.290 nan 0.000 0.524 486 T N -1.966 112.563 114.554 -0.041 0.000 2.876 486 T HA 0.531 4.881 4.350 -0.000 0.000 0.289 486 T C -0.700 173.879 174.700 -0.202 0.000 1.014 486 T CA -0.819 61.224 62.100 -0.094 0.000 0.986 486 T CB 2.332 71.166 68.868 -0.057 0.000 1.021 486 T HN 0.450 nan 8.240 nan 0.000 0.458 487 E N 2.581 122.634 120.200 -0.246 0.000 2.152 487 E HA 0.388 4.738 4.350 -0.000 0.000 0.285 487 E C 0.328 176.882 176.600 -0.076 0.000 1.043 487 E CA -0.652 55.604 56.400 -0.240 0.000 0.839 487 E CB 0.525 30.085 29.700 -0.232 0.000 1.069 487 E HN 0.757 nan 8.360 nan 0.000 0.399 488 M N 2.527 122.072 119.600 -0.092 0.000 2.502 488 M HA 0.491 4.971 4.480 -0.000 0.000 0.351 488 M C 0.830 177.069 176.300 -0.102 0.000 1.118 488 M CA -0.029 55.200 55.300 -0.118 0.000 0.952 488 M CB 0.799 33.260 32.600 -0.232 0.000 1.424 488 M HN 0.547 nan 8.290 nan 0.000 0.529 489 G N 1.845 110.664 108.800 0.030 0.000 2.205 489 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.180 489 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.180 489 G C 0.556 175.538 174.900 0.136 0.000 1.004 489 G CA 0.281 45.434 45.100 0.087 0.000 0.670 489 G HN 0.601 nan 8.290 nan 0.000 0.496 490 Q N 0.707 120.548 119.800 0.068 0.000 2.247 490 Q HA 0.407 4.747 4.340 -0.000 0.000 0.204 490 Q C 1.446 177.465 176.000 0.032 0.000 0.872 490 Q CA 0.837 56.661 55.803 0.035 0.000 0.951 490 Q CB 0.390 29.105 28.738 -0.038 0.000 1.099 490 Q HN 1.722 nan 8.270 nan 0.000 0.501 491 G N 1.868 110.687 108.800 0.031 0.000 2.141 491 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.242 491 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.242 491 G C 0.492 175.294 174.900 -0.163 0.000 0.982 491 G CA 0.431 45.447 45.100 -0.140 0.000 0.662 491 G HN 0.411 nan 8.290 nan 0.000 0.527 492 L N 0.280 121.412 121.223 -0.151 0.000 2.017 492 L HA 0.084 4.424 4.340 -0.000 0.000 0.208 492 L C 2.458 179.288 176.870 -0.068 0.000 1.073 492 L CA 2.940 57.702 54.840 -0.130 0.000 0.745 492 L CB -0.638 41.329 42.059 -0.153 0.000 0.894 492 L HN 0.329 nan 8.230 nan 0.000 0.432 493 H N 0.236 119.283 119.070 -0.038 0.000 2.352 493 H HA -0.055 4.501 4.556 -0.000 0.000 0.299 493 H C 2.241 177.505 175.328 -0.107 0.000 1.097 493 H CA 1.341 57.381 56.048 -0.014 0.000 1.311 493 H CB -0.857 28.914 29.762 0.015 0.000 1.377 493 H HN 0.539 nan 8.280 nan 0.000 0.504 494 A N 1.680 124.448 122.820 -0.086 0.000 1.865 494 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 494 A C 2.373 179.916 177.584 -0.067 0.000 1.191 494 A CA 2.005 53.983 52.037 -0.097 0.000 0.623 494 A CB -0.395 18.516 19.000 -0.148 0.000 0.826 494 A HN 0.381 nan 8.150 nan 0.000 0.444 495 K N -1.029 119.327 120.400 -0.075 0.000 2.032 495 K HA -0.163 4.157 4.320 -0.000 0.000 0.209 495 K C 2.132 178.692 176.600 -0.068 0.000 1.048 495 K CA 1.650 57.897 56.287 -0.066 0.000 0.927 495 K CB -0.364 32.097 32.500 -0.064 0.000 0.712 495 K HN 0.424 nan 8.250 nan 0.000 0.441 496 M N 0.661 120.211 119.600 -0.084 0.000 2.117 496 M HA -0.124 4.355 4.480 -0.000 0.000 0.262 496 M C 2.407 178.670 176.300 -0.062 0.000 1.065 496 M CA 1.203 56.431 55.300 -0.120 0.000 1.114 496 M CB -1.023 31.407 32.600 -0.282 0.000 1.361 496 M HN -0.069 nan 8.290 nan 0.000 0.408 497 V N 1.011 120.903 119.914 -0.036 0.000 2.220 497 V HA -0.356 3.764 4.120 -0.000 0.000 0.250 497 V C 2.482 178.545 176.094 -0.051 0.000 1.056 497 V CA 2.189 64.466 62.300 -0.039 0.000 1.016 497 V CB -1.025 30.776 31.823 -0.038 0.000 0.639 497 V HN 0.505 nan 8.190 nan 0.000 0.446 498 Q N -0.616 119.148 119.800 -0.060 0.000 2.029 498 Q HA -0.234 4.106 4.340 -0.000 0.000 0.209 498 Q C 2.245 178.206 176.000 -0.066 0.000 0.999 498 Q CA 2.493 58.250 55.803 -0.077 0.000 0.857 498 Q CB -0.675 28.007 28.738 -0.094 0.000 0.926 498 Q HN 0.537 nan 8.270 nan 0.000 0.415 499 V N 1.189 121.089 119.914 -0.024 0.000 2.313 499 V HA -0.387 3.733 4.120 -0.000 0.000 0.253 499 V C 2.242 178.369 176.094 0.055 0.000 1.070 499 V CA 1.981 64.333 62.300 0.087 0.000 1.057 499 V CB -1.266 30.620 31.823 0.105 0.000 0.653 499 V HN 0.512 nan 8.190 nan 0.000 0.450 500 A N 0.001 122.817 122.820 -0.007 0.000 1.841 500 A HA -0.158 4.161 4.320 -0.000 0.000 0.216 500 A C 2.476 180.027 177.584 -0.055 0.000 1.199 500 A CA 2.467 54.487 52.037 -0.028 0.000 0.621 500 A CB -1.128 17.848 19.000 -0.040 0.000 0.835 500 A HN 0.649 nan 8.150 nan 0.000 0.445 501 A N -0.476 122.300 122.820 -0.074 0.000 1.948 501 A HA 0.089 4.409 4.320 -0.000 0.000 0.220 501 A C 2.459 179.982 177.584 -0.101 0.000 1.177 501 A CA 2.423 54.397 52.037 -0.105 0.000 0.636 501 A CB -0.946 17.994 19.000 -0.100 0.000 0.815 501 A HN 1.116 nan 8.150 nan 0.000 0.449 502 A N -0.749 122.023 122.820 -0.080 0.000 1.872 502 A HA 0.083 4.403 4.320 -0.000 0.000 0.214 502 A C 2.143 179.723 177.584 -0.006 0.000 1.187 502 A CA 1.545 53.534 52.037 -0.080 0.000 0.614 502 A CB -0.814 18.070 19.000 -0.193 0.000 0.826 502 A HN 0.434 nan 8.150 nan 0.000 0.442 503 V N 0.090 120.035 119.914 0.052 0.000 2.626 503 V HA -0.157 3.963 4.120 -0.000 0.000 0.252 503 V C 2.296 178.365 176.094 -0.042 0.000 1.067 503 V CA 1.407 63.743 62.300 0.060 0.000 1.081 503 V CB -0.620 31.242 31.823 0.065 0.000 0.686 503 V HN 0.521 nan 8.190 nan 0.000 0.468 504 L N -0.059 121.104 121.223 -0.099 0.000 2.446 504 L HA 0.238 4.578 4.340 -0.000 0.000 0.219 504 L C 1.808 178.537 176.870 -0.234 0.000 1.116 504 L CA 1.066 55.787 54.840 -0.199 0.000 0.844 504 L CB -0.127 41.795 42.059 -0.228 0.000 0.970 504 L HN 0.582 nan 8.230 nan 0.000 0.457 505 G N 0.927 109.645 108.800 -0.137 0.000 2.141 505 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.231 505 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.231 505 G C 0.302 175.120 174.900 -0.137 0.000 0.984 505 G CA 0.381 45.453 45.100 -0.047 0.000 0.660 505 G HN 0.364 nan 8.290 nan 0.000 0.525 506 I N -2.596 117.814 120.570 -0.267 0.000 3.237 506 I HA 0.816 4.986 4.170 -0.000 0.000 0.308 506 I C -0.610 175.411 176.117 -0.160 0.000 1.093 506 I CA -1.004 60.133 61.300 -0.271 0.000 1.001 506 I CB 1.731 39.437 38.000 -0.491 0.000 1.245 506 I HN -0.071 nan 8.210 nan 0.000 0.485 507 D N 2.656 122.985 120.400 -0.119 0.000 2.350 507 D HA 0.276 4.916 4.640 -0.000 0.000 0.249 507 D C -1.762 174.491 176.300 -0.079 0.000 1.119 507 D CA -2.251 51.702 54.000 -0.078 0.000 0.886 507 D CB 1.497 42.267 40.800 -0.048 0.000 1.195 507 D HN 0.266 nan 8.370 nan 0.000 0.437 508 P HA -0.171 nan 4.420 nan 0.000 0.217 508 P C 1.611 178.884 177.300 -0.046 0.000 1.148 508 P CA 0.525 63.587 63.100 -0.062 0.000 0.828 508 P CB 0.208 31.873 31.700 -0.057 0.000 0.783 509 V N 0.115 120.007 119.914 -0.037 0.000 2.546 509 V HA -0.226 3.894 4.120 -0.000 0.000 0.254 509 V C 2.298 178.383 176.094 -0.016 0.000 1.076 509 V CA 1.716 64.003 62.300 -0.023 0.000 1.087 509 V CB -1.094 30.720 31.823 -0.015 0.000 0.674 509 V HN 0.180 nan 8.190 nan 0.000 0.470 510 Q N -0.722 119.064 119.800 -0.024 0.000 2.444 510 Q HA 0.142 4.482 4.340 -0.000 0.000 0.206 510 Q C 0.053 176.050 176.000 -0.005 0.000 0.948 510 Q CA 0.312 56.110 55.803 -0.007 0.000 0.946 510 Q CB 0.495 29.216 28.738 -0.030 0.000 1.027 510 Q HN 0.487 nan 8.270 nan 0.000 0.513 511 V N 1.049 120.951 119.914 -0.020 0.000 2.487 511 V HA 0.405 4.524 4.120 -0.000 0.000 0.298 511 V C -0.381 175.705 176.094 -0.013 0.000 1.028 511 V CA -0.918 61.371 62.300 -0.018 0.000 0.860 511 V CB 2.215 34.014 31.823 -0.039 0.000 0.991 511 V HN 0.001 nan 8.190 nan 0.000 0.427 512 R N 3.843 124.342 120.500 -0.002 0.000 2.514 512 R HA 0.671 5.011 4.340 -0.000 0.000 0.301 512 R C -0.950 175.330 176.300 -0.033 0.000 0.962 512 R CA -0.540 55.553 56.100 -0.012 0.000 0.882 512 R CB 1.545 31.848 30.300 0.005 0.000 1.143 512 R HN 0.654 nan 8.270 nan 0.000 0.452 513 I N 3.122 123.649 120.570 -0.072 0.000 2.472 513 I HA 0.339 4.509 4.170 -0.000 0.000 0.290 513 I C -0.407 175.620 176.117 -0.150 0.000 1.016 513 I CA 0.499 61.708 61.300 -0.151 0.000 1.348 513 I CB 1.440 39.267 38.000 -0.288 0.000 1.417 513 I HN 0.887 nan 8.210 nan 0.000 0.521 514 T N 4.407 118.862 114.554 -0.165 0.000 2.950 514 T HA 0.864 5.214 4.350 -0.000 0.000 0.288 514 T C 0.043 174.649 174.700 -0.156 0.000 1.035 514 T CA -0.623 61.406 62.100 -0.118 0.000 1.028 514 T CB 1.203 70.031 68.868 -0.067 0.000 1.109 514 T HN 0.855 nan 8.240 nan 0.000 0.514 515 A N 1.359 124.129 122.820 -0.084 0.000 2.386 515 A HA 0.520 4.840 4.320 -0.000 0.000 0.246 515 A C 0.776 178.317 177.584 -0.073 0.000 1.089 515 A CA -0.515 51.488 52.037 -0.056 0.000 0.790 515 A CB -0.624 18.373 19.000 -0.006 0.000 1.042 515 A HN 0.899 nan 8.150 nan 0.000 0.497 516 T N 1.600 116.128 114.554 -0.043 0.000 2.919 516 T HA 0.414 4.764 4.350 -0.000 0.000 0.302 516 T C -0.395 174.271 174.700 -0.056 0.000 1.031 516 T CA 0.399 62.456 62.100 -0.071 0.000 1.127 516 T CB 0.330 69.172 68.868 -0.043 0.000 0.952 516 T HN 0.662 nan 8.240 nan 0.000 0.540 517 D N 1.373 121.739 120.400 -0.057 0.000 2.688 517 D HA 0.079 4.718 4.640 -0.000 0.000 0.210 517 D C 1.089 177.366 176.300 -0.038 0.000 1.333 517 D CA -0.483 53.486 54.000 -0.052 0.000 0.920 517 D CB 1.219 41.990 40.800 -0.048 0.000 1.554 517 D HN 0.507 nan 8.370 nan 0.000 0.579 518 T N 0.009 114.538 114.554 -0.041 0.000 3.077 518 T HA -0.109 4.241 4.350 -0.000 0.000 0.269 518 T C 1.290 175.984 174.700 -0.010 0.000 1.146 518 T CA 1.389 63.475 62.100 -0.023 0.000 1.091 518 T CB -0.215 68.629 68.868 -0.039 0.000 0.892 518 T HN 0.237 nan 8.240 nan 0.000 0.533 519 S N -0.793 114.897 115.700 -0.017 0.000 2.556 519 S HA 0.363 4.832 4.470 -0.000 0.000 0.216 519 S C 1.438 176.039 174.600 0.001 0.000 0.970 519 S CA -0.613 57.584 58.200 -0.005 0.000 0.912 519 S CB 0.127 63.319 63.200 -0.013 0.000 0.790 519 S HN 0.523 nan 8.310 nan 0.000 0.504 520 K N 0.515 120.914 120.400 -0.001 0.000 2.267 520 K HA 0.334 4.653 4.320 -0.000 0.000 0.213 520 K C -0.448 176.164 176.600 0.020 0.000 1.060 520 K CA 0.439 56.728 56.287 0.004 0.000 0.935 520 K CB 0.498 32.993 32.500 -0.009 0.000 1.096 520 K HN 0.144 nan 8.250 nan 0.000 0.468 521 V N 4.571 124.498 119.914 0.023 0.000 2.409 521 V HA 0.312 4.432 4.120 -0.000 0.000 0.291 521 V C -2.475 173.653 176.094 0.057 0.000 1.020 521 V CA -1.789 60.543 62.300 0.053 0.000 0.848 521 V CB 1.390 33.250 31.823 0.062 0.000 0.990 521 V HN 0.198 nan 8.190 nan 0.000 0.430 522 P HA 0.422 nan 4.420 nan 0.000 0.285 522 P C -0.590 176.773 177.300 0.105 0.000 1.280 522 P CA -0.541 62.605 63.100 0.076 0.000 0.862 522 P CB 0.925 32.669 31.700 0.074 0.000 1.153 523 N N -1.452 117.308 118.700 0.099 0.000 2.727 523 N HA -0.102 4.638 4.740 -0.000 0.000 0.251 523 N C 0.050 175.637 175.510 0.127 0.000 1.040 523 N CA 1.180 54.302 53.050 0.120 0.000 0.712 523 N CB -2.203 36.364 38.487 0.133 0.000 0.912 523 N HN 0.692 nan 8.380 nan 0.000 0.545 524 T N -3.594 111.027 114.554 0.112 0.000 2.918 524 T HA 0.604 4.954 4.350 -0.000 0.000 0.283 524 T C 0.806 175.551 174.700 0.075 0.000 1.001 524 T CA -0.563 61.589 62.100 0.087 0.000 1.041 524 T CB 2.039 70.949 68.868 0.071 0.000 1.028 524 T HN 0.080 nan 8.240 nan 0.000 0.511 525 S N 0.333 115.999 115.700 -0.056 0.000 2.661 525 S HA 0.648 5.118 4.470 -0.000 0.000 0.265 525 S C 0.724 175.044 174.600 -0.468 0.000 1.225 525 S CA -0.539 57.500 58.200 -0.268 0.000 0.986 525 S CB 0.340 63.303 63.200 -0.395 0.000 1.008 525 S HN 1.114 nan 8.310 nan 0.000 0.565 526 A N 0.733 123.018 122.820 -0.891 0.000 2.296 526 A HA 0.491 4.811 4.320 -0.000 0.000 0.264 526 A C 0.125 177.601 177.584 -0.180 0.000 1.097 526 A CA -0.294 51.262 52.037 -0.801 0.000 0.811 526 A CB -0.102 18.483 19.000 -0.691 0.000 1.072 526 A HN 0.624 nan 8.150 nan 0.000 0.495 527 T N 1.280 115.766 114.554 -0.114 0.000 2.811 527 T HA 0.590 4.939 4.350 -0.000 0.000 0.309 527 T C 0.066 174.720 174.700 -0.078 0.000 1.005 527 T CA 0.787 62.856 62.100 -0.051 0.000 0.955 527 T CB -0.003 68.828 68.868 -0.060 0.000 0.970 527 T HN 1.291 nan 8.240 nan 0.000 0.496 528 A N 2.247 125.011 122.820 -0.094 0.000 2.467 528 A HA 0.847 5.167 4.320 -0.000 0.000 0.301 528 A C 0.264 177.551 177.584 -0.495 0.000 1.126 528 A CA -0.259 51.640 52.037 -0.230 0.000 0.632 528 A CB -0.022 18.871 19.000 -0.178 0.000 1.331 528 A HN 1.628 nan 8.150 nan 0.000 0.482 529 A N -0.906 121.577 122.820 -0.561 0.000 2.860 529 A HA 0.099 4.419 4.320 -0.000 0.000 0.267 529 A C 1.119 178.483 177.584 -0.367 0.000 1.421 529 A CA 1.743 53.396 52.037 -0.639 0.000 0.831 529 A CB -2.526 15.671 19.000 -1.339 0.000 1.041 529 A HN 2.503 nan 8.150 nan 0.000 0.623 530 S N -2.485 113.068 115.700 -0.246 0.000 3.402 530 S HA -0.286 4.184 4.470 -0.000 0.000 0.329 530 S C 1.030 175.543 174.600 -0.146 0.000 1.194 530 S CA 1.917 60.020 58.200 -0.162 0.000 0.951 530 S CB -1.886 61.236 63.200 -0.129 0.000 0.975 530 S HN 2.500 nan 8.310 nan 0.000 0.574 531 S N -0.904 114.678 115.700 -0.196 0.000 2.568 531 S HA 0.444 4.914 4.470 -0.000 0.000 0.232 531 S C 1.768 176.332 174.600 -0.060 0.000 0.975 531 S CA 0.406 58.532 58.200 -0.123 0.000 0.949 531 S CB 0.466 63.568 63.200 -0.162 0.000 0.829 531 S HN 0.662 nan 8.310 nan 0.000 0.479 532 G N 2.399 111.159 108.800 -0.068 0.000 2.514 532 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.217 532 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.217 532 G C 1.564 176.429 174.900 -0.058 0.000 1.198 532 G CA 1.006 46.080 45.100 -0.043 0.000 0.780 532 G HN 0.756 nan 8.290 nan 0.000 0.565 533 A N 0.824 123.602 122.820 -0.069 0.000 1.832 533 A HA 0.022 4.342 4.320 -0.000 0.000 0.214 533 A C 2.049 179.573 177.584 -0.100 0.000 1.204 533 A CA 2.071 54.055 52.037 -0.088 0.000 0.606 533 A CB -0.836 18.129 19.000 -0.059 0.000 0.849 533 A HN 0.287 nan 8.150 nan 0.000 0.445 534 D N -0.513 119.852 120.400 -0.059 0.000 2.370 534 D HA -0.261 4.379 4.640 -0.000 0.000 0.190 534 D C 1.984 178.156 176.300 -0.212 0.000 1.019 534 D CA 2.493 56.451 54.000 -0.070 0.000 0.869 534 D CB -0.244 40.572 40.800 0.028 0.000 0.944 534 D HN 0.508 nan 8.370 nan 0.000 0.456 535 M N -0.724 118.769 119.600 -0.178 0.000 2.257 535 M HA -0.006 4.474 4.480 -0.000 0.000 0.260 535 M C 1.984 178.120 176.300 -0.274 0.000 1.102 535 M CA 0.608 55.746 55.300 -0.270 0.000 1.169 535 M CB -0.232 32.349 32.600 -0.032 0.000 1.323 535 M HN 0.010 nan 8.290 nan 0.000 0.447 536 N N 0.859 119.466 118.700 -0.156 0.000 2.069 536 N HA -0.134 4.606 4.740 -0.000 0.000 0.191 536 N C 1.821 177.207 175.510 -0.206 0.000 1.031 536 N CA 1.729 54.694 53.050 -0.141 0.000 0.852 536 N CB -0.664 37.756 38.487 -0.111 0.000 1.018 536 N HN 0.430 nan 8.380 nan 0.000 0.423 537 G N 2.871 111.538 108.800 -0.222 0.000 2.732 537 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.222 537 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.222 537 G C 1.517 176.280 174.900 -0.228 0.000 1.203 537 G CA 1.432 46.417 45.100 -0.191 0.000 0.780 537 G HN 0.139 nan 8.290 nan 0.000 0.621 538 M N 1.022 120.402 119.600 -0.367 0.000 2.082 538 M HA -0.053 4.426 4.480 -0.000 0.000 0.258 538 M C 3.104 179.280 176.300 -0.208 0.000 1.071 538 M CA 1.589 56.651 55.300 -0.397 0.000 1.103 538 M CB -1.622 30.479 32.600 -0.832 0.000 1.307 538 M HN 0.363 nan 8.290 nan 0.000 0.409 539 A N -0.492 122.221 122.820 -0.177 0.000 1.940 539 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 539 A C 2.494 180.059 177.584 -0.031 0.000 1.176 539 A CA 1.908 53.917 52.037 -0.047 0.000 0.631 539 A CB -1.031 17.951 19.000 -0.030 0.000 0.814 539 A HN 0.317 nan 8.150 nan 0.000 0.446 540 V N 0.207 120.081 119.914 -0.067 0.000 2.295 540 V HA -0.297 3.823 4.120 -0.000 0.000 0.246 540 V C 2.551 178.623 176.094 -0.038 0.000 1.049 540 V CA 2.530 64.805 62.300 -0.042 0.000 1.024 540 V CB -0.682 31.100 31.823 -0.068 0.000 0.648 540 V HN 0.764 nan 8.190 nan 0.000 0.447 541 K N 0.641 121.003 120.400 -0.064 0.000 2.059 541 K HA -0.311 4.009 4.320 -0.000 0.000 0.212 541 K C 1.871 178.447 176.600 -0.040 0.000 1.050 541 K CA 2.492 58.741 56.287 -0.062 0.000 0.927 541 K CB -0.592 31.823 32.500 -0.143 0.000 0.714 541 K HN 0.475 nan 8.250 nan 0.000 0.447 542 D N -0.613 119.772 120.400 -0.025 0.000 2.158 542 D HA -0.165 4.475 4.640 -0.000 0.000 0.197 542 D C 1.571 177.881 176.300 0.017 0.000 0.995 542 D CA 1.594 55.603 54.000 0.015 0.000 0.846 542 D CB -0.144 40.694 40.800 0.063 0.000 0.941 542 D HN 0.418 nan 8.370 nan 0.000 0.456 543 A N -0.763 122.064 122.820 0.013 0.000 1.878 543 A HA -0.055 4.265 4.320 -0.000 0.000 0.213 543 A C 2.533 180.111 177.584 -0.010 0.000 1.192 543 A CA 1.052 53.095 52.037 0.010 0.000 0.619 543 A CB -0.767 18.241 19.000 0.014 0.000 0.837 543 A HN 0.455 nan 8.150 nan 0.000 0.446 544 C N -0.214 119.074 119.300 -0.019 0.000 2.419 544 C HA -0.064 4.396 4.460 -0.000 0.000 0.281 544 C C 2.556 177.521 174.990 -0.042 0.000 1.336 544 C CA 1.070 60.068 59.018 -0.034 0.000 1.770 544 C CB -1.274 26.445 27.740 -0.035 0.000 1.929 544 C HN 0.649 nan 8.230 nan 0.000 0.509 545 E N 0.340 120.523 120.200 -0.028 0.000 2.072 545 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 545 E C 2.183 178.771 176.600 -0.019 0.000 0.985 545 E CA 1.511 57.896 56.400 -0.025 0.000 0.801 545 E CB -0.212 29.480 29.700 -0.014 0.000 0.750 545 E HN 0.568 nan 8.360 nan 0.000 0.452 546 T N 1.711 116.259 114.554 -0.009 0.000 2.607 546 T HA -0.202 4.148 4.350 -0.000 0.000 0.267 546 T C 1.968 176.660 174.700 -0.014 0.000 1.049 546 T CA 1.258 63.356 62.100 -0.004 0.000 1.162 546 T CB -0.359 68.510 68.868 0.002 0.000 0.863 546 T HN 0.049 nan 8.240 nan 0.000 0.424 547 L N 0.569 121.776 121.223 -0.027 0.000 1.970 547 L HA -0.108 4.232 4.340 -0.000 0.000 0.212 547 L C 2.833 179.669 176.870 -0.056 0.000 1.071 547 L CA 1.591 56.409 54.840 -0.036 0.000 0.751 547 L CB -0.579 41.457 42.059 -0.038 0.000 0.889 547 L HN 0.131 nan 8.230 nan 0.000 0.432 548 R N 0.412 120.847 120.500 -0.109 0.000 2.170 548 R HA -0.179 4.161 4.340 -0.000 0.000 0.242 548 R C 2.055 178.321 176.300 -0.058 0.000 1.145 548 R CA 1.510 57.475 56.100 -0.225 0.000 0.984 548 R CB -0.498 29.609 30.300 -0.322 0.000 0.869 548 R HN 0.496 nan 8.270 nan 0.000 0.455 549 G N 0.192 108.985 108.800 -0.012 0.000 2.403 549 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.216 549 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.216 549 G C 1.473 176.409 174.900 0.060 0.000 1.154 549 G CA 0.216 45.340 45.100 0.040 0.000 0.784 549 G HN 0.319 nan 8.290 nan 0.000 0.538 550 R N -0.271 120.250 120.500 0.036 0.000 2.090 550 R HA 0.169 4.509 4.340 -0.000 0.000 0.228 550 R C 2.557 178.920 176.300 0.106 0.000 1.110 550 R CA 0.492 56.624 56.100 0.052 0.000 0.973 550 R CB -0.370 29.938 30.300 0.013 0.000 0.869 550 R HN 0.300 nan 8.270 nan 0.000 0.440 551 L N 0.187 121.475 121.223 0.108 0.000 1.989 551 L HA -0.214 4.126 4.340 -0.000 0.000 0.211 551 L C 2.698 179.752 176.870 0.307 0.000 1.071 551 L CA 1.492 56.465 54.840 0.223 0.000 0.749 551 L CB -0.720 41.496 42.059 0.261 0.000 0.890 551 L HN 0.264 nan 8.230 nan 0.000 0.431 552 A N 0.401 123.413 122.820 0.319 0.000 1.883 552 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 552 A C 2.410 180.073 177.584 0.132 0.000 1.186 552 A CA 1.934 54.125 52.037 0.257 0.000 0.624 552 A CB -1.448 17.707 19.000 0.259 0.000 0.822 552 A HN 0.474 nan 8.150 nan 0.000 0.444 553 G N -0.903 107.976 108.800 0.132 0.000 2.529 553 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.219 553 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.219 553 G C 1.479 176.440 174.900 0.100 0.000 1.177 553 G CA 1.413 46.570 45.100 0.096 0.000 0.773 553 G HN 0.561 nan 8.290 nan 0.000 0.573 554 F N 1.329 121.273 119.950 -0.008 0.000 2.075 554 F HA -0.092 4.435 4.527 0.000 0.000 0.297 554 F C 2.720 178.478 175.800 -0.069 0.000 1.113 554 F CA 1.711 59.687 58.000 -0.039 0.000 1.218 554 F CB -0.647 38.322 39.000 -0.052 0.000 0.984 554 F HN 0.007 nan 8.300 nan 0.000 0.472 555 V N 0.819 120.545 119.914 -0.314 0.000 2.392 555 V HA -0.330 3.790 4.120 -0.000 0.000 0.249 555 V C 2.759 178.659 176.094 -0.323 0.000 1.059 555 V CA 1.815 63.810 62.300 -0.508 0.000 1.051 555 V CB -1.593 30.017 31.823 -0.354 0.000 0.658 555 V HN 0.556 nan 8.190 nan 0.000 0.455 556 A N -0.139 122.587 122.820 -0.156 0.000 1.902 556 A HA -0.107 4.212 4.320 -0.000 0.000 0.217 556 A C 2.452 179.977 177.584 -0.098 0.000 1.181 556 A CA 2.004 53.986 52.037 -0.091 0.000 0.623 556 A CB -0.797 18.186 19.000 -0.029 0.000 0.818 556 A HN 0.574 nan 8.150 nan 0.000 0.443 557 A N -0.481 122.276 122.820 -0.105 0.000 1.908 557 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 557 A C 2.312 179.820 177.584 -0.127 0.000 1.181 557 A CA 1.760 53.747 52.037 -0.084 0.000 0.627 557 A CB -0.535 18.434 19.000 -0.052 0.000 0.818 557 A HN 0.490 nan 8.150 nan 0.000 0.445 558 R N -0.061 120.288 120.500 -0.251 0.000 2.062 558 R HA -0.092 4.248 4.340 -0.000 0.000 0.231 558 R C 0.661 176.876 176.300 -0.141 0.000 1.136 558 R CA 1.579 57.523 56.100 -0.260 0.000 0.948 558 R CB -0.222 29.761 30.300 -0.529 0.000 0.845 558 R HN 0.519 nan 8.270 nan 0.000 0.430 559 E N 0.204 120.330 120.200 -0.124 0.000 2.335 559 E HA 0.099 4.449 4.350 -0.000 0.000 0.191 559 E C -0.008 176.580 176.600 -0.020 0.000 1.077 559 E CA 0.329 56.714 56.400 -0.025 0.000 1.010 559 E CB 0.175 29.909 29.700 0.057 0.000 1.141 559 E HN 0.524 nan 8.360 nan 0.000 0.452 560 G N 2.208 110.986 108.800 -0.037 0.000 2.261 560 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.220 560 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.220 560 G C 0.324 175.217 174.900 -0.013 0.000 0.572 560 G CA 0.505 45.591 45.100 -0.023 0.000 1.011 560 G HN 0.563 nan 8.290 nan 0.000 0.328 561 C N -0.433 118.859 119.300 -0.014 0.000 3.131 561 C HA 0.906 5.366 4.460 -0.000 0.000 0.322 561 C C 0.361 175.349 174.990 -0.003 0.000 1.368 561 C CA -0.439 58.576 59.018 -0.005 0.000 1.191 561 C CB 0.881 28.620 27.740 -0.000 0.000 1.447 561 C HN 2.549 nan 8.230 nan 0.000 0.425 562 A N 0.443 123.265 122.820 0.004 0.000 2.306 562 A HA 0.854 5.173 4.320 -0.000 0.000 0.330 562 A C 1.195 178.790 177.584 0.018 0.000 1.146 562 A CA 0.382 52.425 52.037 0.011 0.000 0.827 562 A CB 0.913 19.921 19.000 0.015 0.000 1.178 562 A HN 2.573 nan 8.150 nan 0.000 0.490 563 A N 1.283 124.120 122.820 0.028 0.000 1.902 563 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 563 A C 1.993 179.614 177.584 0.063 0.000 1.181 563 A CA 1.851 53.917 52.037 0.048 0.000 0.623 563 A CB -0.562 18.473 19.000 0.057 0.000 0.818 563 A HN 1.020 nan 8.150 nan 0.000 0.443 564 R N -0.767 119.764 120.500 0.052 0.000 2.377 564 R HA -0.063 4.277 4.340 -0.000 0.000 0.207 564 R C -0.040 176.292 176.300 0.053 0.000 1.075 564 R CA 1.642 57.776 56.100 0.057 0.000 1.035 564 R CB -0.290 30.036 30.300 0.044 0.000 0.857 564 R HN 0.282 nan 8.270 nan 0.000 0.475 565 D N 0.537 120.962 120.400 0.041 0.000 2.431 565 D HA 0.105 4.745 4.640 -0.000 0.000 0.213 565 D C -0.375 175.935 176.300 0.017 0.000 1.130 565 D CA 0.026 54.043 54.000 0.029 0.000 0.834 565 D CB 0.975 41.786 40.800 0.019 0.000 0.985 565 D HN 0.039 nan 8.370 nan 0.000 0.504 566 V N 1.424 121.348 119.914 0.017 0.000 2.509 566 V HA 0.414 4.534 4.120 -0.000 0.000 0.284 566 V C 0.409 176.454 176.094 -0.081 0.000 1.047 566 V CA -0.524 61.739 62.300 -0.062 0.000 0.952 566 V CB 1.970 33.739 31.823 -0.090 0.000 0.988 566 V HN -0.098 nan 8.190 nan 0.000 0.469 567 I N 4.123 124.577 120.570 -0.195 0.000 2.499 567 I HA 0.492 4.662 4.170 -0.000 0.000 0.288 567 I C -1.218 174.810 176.117 -0.148 0.000 1.048 567 I CA -0.168 61.099 61.300 -0.055 0.000 1.062 567 I CB 1.977 39.981 38.000 0.007 0.000 1.238 567 I HN 0.452 nan 8.210 nan 0.000 0.426 568 F N 4.110 124.122 119.950 0.103 0.000 2.444 568 F HA 0.556 5.083 4.527 -0.000 0.000 0.342 568 F C -0.173 175.668 175.800 0.067 0.000 1.121 568 F CA -0.635 57.436 58.000 0.118 0.000 0.997 568 F CB 1.442 40.527 39.000 0.142 0.000 1.130 568 F HN 0.328 nan 8.300 nan 0.000 0.454 569 D N 1.158 121.687 120.400 0.214 0.000 2.836 569 D HA 0.505 5.145 4.640 -0.000 0.000 0.215 569 D C -0.385 175.961 176.300 0.077 0.000 1.255 569 D CA 0.036 54.105 54.000 0.115 0.000 0.822 569 D CB 1.631 42.480 40.800 0.081 0.000 1.656 569 D HN 0.785 nan 8.370 nan 0.000 0.511 570 A N 2.521 125.361 122.820 0.034 0.000 2.832 570 A HA 0.181 4.501 4.320 -0.000 0.000 0.280 570 A C 1.615 179.218 177.584 0.030 0.000 1.464 570 A CA 1.851 53.899 52.037 0.018 0.000 0.804 570 A CB -2.208 16.806 19.000 0.025 0.000 1.020 570 A HN 2.057 nan 8.150 nan 0.000 0.563 571 G N -2.749 106.063 108.800 0.020 0.000 2.179 571 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.260 571 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.260 571 G C -0.095 174.902 174.900 0.162 0.000 0.977 571 G CA 0.971 46.099 45.100 0.046 0.000 0.641 571 G HN 1.590 nan 8.290 nan 0.000 0.533 572 Q N -0.446 119.457 119.800 0.171 0.000 2.377 572 Q HA 0.669 5.009 4.340 -0.000 0.000 0.271 572 Q C -0.715 175.412 176.000 0.211 0.000 1.077 572 Q CA -0.895 55.031 55.803 0.205 0.000 0.820 572 Q CB 3.126 31.945 28.738 0.134 0.000 1.347 572 Q HN 0.158 nan 8.270 nan 0.000 0.444 573 V N 1.676 121.713 119.914 0.204 0.000 2.483 573 V HA 0.364 4.484 4.120 -0.000 0.000 0.295 573 V C -0.503 175.669 176.094 0.130 0.000 1.035 573 V CA -0.473 61.813 62.300 -0.022 0.000 0.896 573 V CB 1.711 33.452 31.823 -0.136 0.000 0.986 573 V HN 0.705 nan 8.190 nan 0.000 0.447 574 Q N 1.970 121.780 119.800 0.016 0.000 2.305 574 Q HA 0.808 5.148 4.340 -0.000 0.000 0.271 574 Q C -1.089 174.963 176.000 0.087 0.000 1.046 574 Q CA -0.388 55.479 55.803 0.106 0.000 0.798 574 Q CB 2.403 31.159 28.738 0.030 0.000 1.286 574 Q HN 1.003 nan 8.270 nan 0.000 0.435 575 A N 1.042 123.967 122.820 0.174 0.000 2.612 575 A HA 0.605 4.924 4.320 -0.000 0.000 0.293 575 A C -0.416 177.217 177.584 0.081 0.000 1.075 575 A CA -0.328 51.776 52.037 0.112 0.000 0.680 575 A CB 1.480 20.544 19.000 0.107 0.000 1.279 575 A HN 0.723 nan 8.150 nan 0.000 0.411 576 S N -0.069 115.654 115.700 0.039 0.000 3.425 576 S HA -0.093 4.377 4.470 -0.000 0.000 0.377 576 S C 1.724 176.309 174.600 -0.025 0.000 0.989 576 S CA 2.129 60.336 58.200 0.012 0.000 1.183 576 S CB -1.479 61.738 63.200 0.029 0.000 0.908 576 S HN 2.810 nan 8.310 nan 0.000 0.472 577 G N -0.669 108.108 108.800 -0.039 0.000 2.353 577 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.258 577 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.258 577 G C 0.004 174.814 174.900 -0.150 0.000 1.013 577 G CA 1.061 46.115 45.100 -0.076 0.000 0.622 577 G HN 0.687 nan 8.290 nan 0.000 0.535 578 K N 0.451 120.718 120.400 -0.221 0.000 2.095 578 K HA 0.718 5.037 4.320 -0.000 0.000 0.252 578 K C 0.227 176.484 176.600 -0.571 0.000 0.977 578 K CA 0.061 56.058 56.287 -0.483 0.000 0.900 578 K CB 1.933 33.974 32.500 -0.765 0.000 1.060 578 K HN 0.517 nan 8.250 nan 0.000 0.449 579 S N 0.660 115.963 115.700 -0.662 0.000 2.549 579 S HA 0.649 5.119 4.470 -0.000 0.000 0.280 579 S C -1.316 173.101 174.600 -0.304 0.000 1.109 579 S CA -0.825 57.185 58.200 -0.316 0.000 0.905 579 S CB 0.839 63.969 63.200 -0.116 0.000 1.081 579 S HN 0.631 nan 8.310 nan 0.000 0.477 580 W N 0.908 122.203 121.300 -0.008 0.000 3.060 580 W HA 0.510 5.170 4.660 -0.000 0.000 0.346 580 W C 0.105 176.653 176.519 0.048 0.000 1.194 580 W CA -1.202 56.153 57.345 0.016 0.000 1.105 580 W CB 1.633 31.102 29.460 0.014 0.000 1.487 580 W HN 0.561 nan 8.180 nan 0.000 0.592 581 R N 0.678 121.386 120.500 0.347 0.000 2.410 581 R HA 0.156 4.496 4.340 -0.000 0.000 0.288 581 R C 1.119 177.587 176.300 0.281 0.000 1.051 581 R CA -0.484 55.775 56.100 0.264 0.000 1.021 581 R CB 0.663 31.083 30.300 0.201 0.000 1.032 581 R HN 0.365 nan 8.270 nan 0.000 0.481 582 F N 2.706 122.744 119.950 0.147 0.000 2.085 582 F HA -0.345 4.181 4.527 -0.000 0.000 0.299 582 F C 2.007 177.874 175.800 0.112 0.000 1.096 582 F CA 2.380 60.471 58.000 0.152 0.000 1.227 582 F CB -0.285 38.800 39.000 0.141 0.000 0.983 582 F HN 0.718 nan 8.300 nan 0.000 0.482 583 A N -0.088 122.858 122.820 0.210 0.000 1.883 583 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 583 A C 2.082 179.664 177.584 -0.002 0.000 1.186 583 A CA 1.966 54.047 52.037 0.072 0.000 0.624 583 A CB -0.978 18.095 19.000 0.122 0.000 0.822 583 A HN 0.594 nan 8.150 nan 0.000 0.444 584 E N -0.225 120.009 120.200 0.056 0.000 2.160 584 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 584 E C 1.823 178.380 176.600 -0.071 0.000 0.991 584 E CA 1.117 57.539 56.400 0.036 0.000 0.810 584 E CB -0.294 29.483 29.700 0.129 0.000 0.742 584 E HN 0.579 nan 8.360 nan 0.000 0.466 585 I N 0.841 121.322 120.570 -0.148 0.000 2.252 585 I HA -0.191 3.979 4.170 -0.000 0.000 0.245 585 I C 2.429 178.436 176.117 -0.183 0.000 1.102 585 I CA 0.941 62.120 61.300 -0.201 0.000 1.385 585 I CB -0.985 36.881 38.000 -0.223 0.000 1.064 585 I HN 0.018 nan 8.210 nan 0.000 0.414 586 V N 1.536 121.271 119.914 -0.298 0.000 2.343 586 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 586 V C 2.875 178.886 176.094 -0.138 0.000 1.051 586 V CA 1.853 63.987 62.300 -0.276 0.000 1.036 586 V CB -1.086 30.554 31.823 -0.305 0.000 0.654 586 V HN 0.453 nan 8.190 nan 0.000 0.451 587 A N 0.015 122.794 122.820 -0.068 0.000 1.883 587 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 587 A C 2.446 180.038 177.584 0.014 0.000 1.186 587 A CA 2.300 54.351 52.037 0.024 0.000 0.624 587 A CB -0.904 18.119 19.000 0.040 0.000 0.822 587 A HN 0.582 nan 8.150 nan 0.000 0.444 588 A N -0.160 122.651 122.820 -0.015 0.000 1.877 588 A HA 0.126 4.446 4.320 -0.000 0.000 0.216 588 A C 2.542 179.953 177.584 -0.288 0.000 1.186 588 A CA 2.307 54.347 52.037 0.005 0.000 0.620 588 A CB -1.168 17.941 19.000 0.183 0.000 0.822 588 A HN 1.174 nan 8.150 nan 0.000 0.443 589 A N -1.101 121.390 122.820 -0.548 0.000 1.892 589 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 589 A C 2.157 179.472 177.584 -0.447 0.000 1.188 589 A CA 2.015 53.447 52.037 -1.008 0.000 0.631 589 A CB -0.978 17.623 19.000 -0.664 0.000 0.822 589 A HN 0.865 nan 8.150 nan 0.000 0.447 590 Y N 0.575 120.682 120.300 -0.322 0.000 2.128 590 Y HA -0.250 4.300 4.550 -0.000 0.000 0.284 590 Y C 2.297 178.097 175.900 -0.167 0.000 1.154 590 Y CA 2.085 60.065 58.100 -0.201 0.000 1.149 590 Y CB -0.422 37.961 38.460 -0.127 0.000 0.976 590 Y HN 0.279 nan 8.280 nan 0.000 0.505 591 M N 0.096 119.492 119.600 -0.341 0.000 2.159 591 M HA -0.117 4.363 4.480 -0.000 0.000 0.263 591 M C 2.182 178.301 176.300 -0.302 0.000 1.063 591 M CA 1.659 56.718 55.300 -0.402 0.000 1.110 591 M CB -1.614 30.874 32.600 -0.187 0.000 1.374 591 M HN 0.457 nan 8.290 nan 0.000 0.411 592 A N 0.038 122.691 122.820 -0.279 0.000 2.252 592 A HA 0.066 4.386 4.320 -0.000 0.000 0.207 592 A C 0.685 178.149 177.584 -0.199 0.000 1.194 592 A CA -0.035 51.883 52.037 -0.199 0.000 0.809 592 A CB -0.580 18.295 19.000 -0.208 0.000 0.814 592 A HN 0.572 nan 8.150 nan 0.000 0.482 593 R N -1.418 118.941 120.500 -0.234 0.000 3.201 593 R HA -0.132 4.208 4.340 -0.000 0.000 0.254 593 R C -1.115 175.117 176.300 -0.113 0.000 0.978 593 R CA 0.667 56.675 56.100 -0.153 0.000 0.661 593 R CB -1.892 28.337 30.300 -0.118 0.000 1.170 593 R HN 0.552 nan 8.270 nan 0.000 0.430 594 I N 0.721 121.209 120.570 -0.137 0.000 2.410 594 I HA 0.088 4.258 4.170 -0.000 0.000 0.286 594 I C 0.690 176.764 176.117 -0.072 0.000 1.009 594 I CA -0.505 60.725 61.300 -0.118 0.000 1.111 594 I CB 1.907 39.784 38.000 -0.205 0.000 1.262 594 I HN 0.175 nan 8.210 nan 0.000 0.443 595 S N 6.809 122.483 115.700 -0.044 0.000 2.575 595 S HA 0.106 4.576 4.470 -0.000 0.000 0.295 595 S C 0.459 175.028 174.600 -0.052 0.000 1.267 595 S CA 0.148 58.327 58.200 -0.035 0.000 1.074 595 S CB 0.139 63.324 63.200 -0.026 0.000 0.829 595 S HN 0.527 nan 8.310 nan 0.000 0.497 596 L N 4.412 125.597 121.223 -0.064 0.000 3.094 596 L HA 0.328 4.668 4.340 -0.000 0.000 0.254 596 L C 0.446 177.252 176.870 -0.106 0.000 1.298 596 L CA -0.287 54.500 54.840 -0.089 0.000 1.050 596 L CB 0.207 42.200 42.059 -0.111 0.000 1.420 596 L HN 0.553 nan 8.230 nan 0.000 0.548 597 S N 0.585 116.238 115.700 -0.079 0.000 2.536 597 S HA 0.887 5.357 4.470 -0.000 0.000 0.287 597 S C -0.899 173.673 174.600 -0.047 0.000 1.101 597 S CA -0.297 57.856 58.200 -0.079 0.000 0.950 597 S CB 2.046 65.203 63.200 -0.073 0.000 1.056 597 S HN 0.257 nan 8.310 nan 0.000 0.481 598 A N 2.406 125.203 122.820 -0.038 0.000 2.574 598 A HA 0.784 5.104 4.320 -0.000 0.000 0.297 598 A C -0.061 177.524 177.584 0.002 0.000 1.062 598 A CA -0.572 51.457 52.037 -0.014 0.000 0.686 598 A CB 1.229 20.222 19.000 -0.011 0.000 1.285 598 A HN 1.003 nan 8.150 nan 0.000 0.403 599 T N -0.822 113.744 114.554 0.020 0.000 0.000 599 T HA 0.887 5.237 4.350 -0.000 0.000 0.000 599 T C 0.376 175.117 174.700 0.068 0.000 0.000 599 T CA -0.200 61.928 62.100 0.047 0.000 0.000 599 T CB 1.712 70.616 68.868 0.061 0.000 0.000 599 T HN 2.018 nan 8.240 nan 0.000 0.000 600 G N -0.760 108.107 108.800 0.112 0.000 2.677 600 G HA2 0.616 4.576 3.960 -0.000 0.000 0.291 600 G HA3 0.616 4.576 3.960 -0.000 0.000 0.291 600 G C -2.191 172.866 174.900 0.262 0.000 1.435 600 G CA -0.860 44.327 45.100 0.145 0.000 0.826 600 G HN 0.820 nan 8.290 nan 0.000 0.491 601 F N 0.123 120.113 119.950 0.067 0.000 2.668 601 F HA 0.792 5.319 4.527 -0.000 0.000 0.309 601 F C -1.914 173.983 175.800 0.160 0.000 1.117 601 F CA -1.095 56.961 58.000 0.093 0.000 0.951 601 F CB 2.156 41.193 39.000 0.061 0.000 1.323 601 F HN 0.736 nan 8.300 nan 0.000 0.451 602 Y N 2.556 122.315 120.300 -0.902 0.000 2.581 602 Y HA 0.758 5.307 4.550 -0.000 0.000 0.337 602 Y C -2.005 173.568 175.900 -0.546 0.000 1.108 602 Y CA -0.739 57.085 58.100 -0.460 0.000 1.033 602 Y CB 1.912 40.224 38.460 -0.246 0.000 1.318 602 Y HN 0.920 nan 8.280 nan 0.000 0.459 603 A N 3.189 125.455 122.820 -0.922 0.000 2.385 603 A HA 0.541 4.861 4.320 -0.000 0.000 0.290 603 A C -0.957 176.167 177.584 -0.766 0.000 1.094 603 A CA -0.684 51.015 52.037 -0.562 0.000 0.729 603 A CB 0.727 19.624 19.000 -0.171 0.000 1.194 603 A HN 0.689 nan 8.150 nan 0.000 0.442 604 T N 5.872 120.230 114.554 -0.328 0.000 2.867 604 T HA 0.322 4.672 4.350 -0.000 0.000 0.297 604 T C -1.721 172.910 174.700 -0.116 0.000 0.989 604 T CA 0.031 62.049 62.100 -0.137 0.000 1.159 604 T CB 0.067 68.994 68.868 0.099 0.000 0.928 604 T HN 0.630 nan 8.240 nan 0.000 0.538 605 P HA 0.257 nan 4.420 nan 0.000 0.279 605 P C -0.152 177.146 177.300 -0.002 0.000 1.282 605 P CA -0.604 62.466 63.100 -0.050 0.000 0.788 605 P CB 0.537 32.210 31.700 -0.045 0.000 1.139 606 K N -2.121 118.281 120.400 0.002 0.000 3.104 606 K HA -0.167 4.153 4.320 -0.000 0.000 0.285 606 K C -0.176 176.432 176.600 0.013 0.000 1.136 606 K CA 0.567 56.861 56.287 0.012 0.000 0.842 606 K CB -2.175 30.336 32.500 0.019 0.000 1.217 606 K HN 0.367 nan 8.250 nan 0.000 0.467 607 L N 0.779 122.010 121.223 0.015 0.000 2.295 607 L HA 0.458 4.798 4.340 -0.000 0.000 0.285 607 L C 0.115 177.015 176.870 0.049 0.000 1.035 607 L CA -0.610 54.239 54.840 0.015 0.000 0.806 607 L CB 1.873 43.939 42.059 0.011 0.000 1.214 607 L HN 0.067 nan 8.230 nan 0.000 0.426 608 S N 3.773 119.515 115.700 0.069 0.000 2.584 608 S HA 0.669 5.139 4.470 -0.000 0.000 0.280 608 S C -1.974 172.763 174.600 0.229 0.000 1.162 608 S CA -0.655 57.621 58.200 0.127 0.000 0.951 608 S CB 1.040 64.284 63.200 0.072 0.000 1.108 608 S HN 0.643 nan 8.310 nan 0.000 0.464 609 W N 3.479 124.732 121.300 -0.078 0.000 3.153 609 W HA 0.587 5.247 4.660 -0.000 0.000 0.316 609 W C -2.423 174.036 176.519 -0.101 0.000 1.255 609 W CA -0.852 56.429 57.345 -0.106 0.000 1.192 609 W CB 0.506 29.869 29.460 -0.162 0.000 1.400 609 W HN 0.617 nan 8.180 nan 0.000 0.568 610 D N 2.566 122.763 120.400 -0.338 0.000 2.462 610 D HA 0.291 4.931 4.640 -0.000 0.000 0.249 610 D C 1.398 177.197 176.300 -0.835 0.000 1.117 610 D CA -0.311 53.338 54.000 -0.585 0.000 0.900 610 D CB 1.091 41.724 40.800 -0.279 0.000 1.039 610 D HN 0.486 nan 8.370 nan 0.000 0.516 611 R N 2.075 121.779 120.500 -1.327 0.000 2.261 611 R HA -0.246 4.094 4.340 -0.000 0.000 0.252 611 R C 1.611 177.772 176.300 -0.233 0.000 1.116 611 R CA 2.048 57.644 56.100 -0.841 0.000 0.942 611 R CB -0.269 29.757 30.300 -0.455 0.000 0.932 611 R HN 0.516 nan 8.270 nan 0.000 0.441 612 L N -0.798 120.318 121.223 -0.179 0.000 2.072 612 L HA -0.128 4.212 4.340 -0.000 0.000 0.205 612 L C 2.641 179.500 176.870 -0.018 0.000 1.079 612 L CA 1.218 56.061 54.840 0.005 0.000 0.752 612 L CB -0.372 41.674 42.059 -0.022 0.000 0.906 612 L HN 0.213 nan 8.230 nan 0.000 0.436 613 R N 0.087 120.490 120.500 -0.162 0.000 2.115 613 R HA 0.013 4.353 4.340 -0.000 0.000 0.226 613 R C 1.246 177.312 176.300 -0.390 0.000 1.100 613 R CA 0.784 56.788 56.100 -0.161 0.000 0.980 613 R CB -0.189 30.038 30.300 -0.121 0.000 0.875 613 R HN 0.493 nan 8.270 nan 0.000 0.445 614 G N 0.996 109.344 108.800 -0.754 0.000 2.149 614 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.235 614 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.235 614 G C -0.323 174.281 174.900 -0.493 0.000 1.018 614 G CA -0.163 44.107 45.100 -1.384 0.000 0.728 614 G HN 0.182 nan 8.290 nan 0.000 0.508 615 Q N -0.786 118.885 119.800 -0.216 0.000 2.372 615 Q HA 0.749 5.088 4.340 -0.000 0.000 0.273 615 Q C 0.392 176.465 176.000 0.121 0.000 1.078 615 Q CA 0.281 56.075 55.803 -0.014 0.000 0.806 615 Q CB 2.232 30.950 28.738 -0.032 0.000 1.332 615 Q HN 1.539 nan 8.270 nan 0.000 0.435 616 G N 1.149 110.045 108.800 0.160 0.000 2.350 616 G HA2 0.020 3.979 3.960 -0.000 0.000 0.282 616 G HA3 0.020 3.979 3.960 -0.000 0.000 0.282 616 G C -1.582 173.397 174.900 0.131 0.000 1.314 616 G CA -0.950 44.256 45.100 0.178 0.000 0.915 616 G HN 0.322 nan 8.290 nan 0.000 0.499 617 R N 1.587 122.130 120.500 0.073 0.000 2.312 617 R HA 0.435 4.775 4.340 -0.000 0.000 0.310 617 R C -1.890 174.282 176.300 -0.213 0.000 1.064 617 R CA -1.746 54.338 56.100 -0.027 0.000 0.983 617 R CB 1.787 32.083 30.300 -0.005 0.000 1.139 617 R HN 0.349 nan 8.270 nan 0.000 0.536 618 P HA 0.071 nan 4.420 nan 0.000 0.257 618 P C -0.538 176.181 177.300 -0.969 0.000 1.241 618 P CA 0.274 62.693 63.100 -1.136 0.000 0.816 618 P CB 0.410 30.708 31.700 -2.337 0.000 1.150 619 F N -0.525 119.241 119.950 -0.306 0.000 2.540 619 F HA 0.253 4.780 4.527 -0.000 0.000 0.317 619 F C 1.477 177.100 175.800 -0.296 0.000 1.104 619 F CA -1.198 56.590 58.000 -0.353 0.000 0.913 619 F CB 1.809 40.481 39.000 -0.546 0.000 1.170 619 F HN -0.330 nan 8.300 nan 0.000 0.450 620 L N 3.690 124.905 121.223 -0.013 0.000 2.056 620 L HA 0.002 4.342 4.340 -0.000 0.000 0.207 620 L C -0.254 176.655 176.870 0.065 0.000 1.078 620 L CA 1.792 56.666 54.840 0.055 0.000 0.749 620 L CB -0.477 41.698 42.059 0.193 0.000 0.901 620 L HN 0.658 nan 8.230 nan 0.000 0.433 621 Y N -4.716 115.436 120.300 -0.247 0.000 2.840 621 Y HA 0.589 5.139 4.550 0.000 0.000 0.324 621 Y C -1.298 174.256 175.900 -0.578 0.000 1.378 621 Y CA -2.377 55.532 58.100 -0.319 0.000 1.077 621 Y CB 0.336 38.743 38.460 -0.089 0.000 1.361 621 Y HN -0.204 nan 8.280 nan 0.000 0.459 622 F N 0.941 120.974 119.950 0.139 0.000 2.546 622 F HA 0.842 5.368 4.527 -0.000 0.000 0.320 622 F C 0.032 175.816 175.800 -0.027 0.000 1.076 622 F CA -0.995 56.898 58.000 -0.178 0.000 0.928 622 F CB 2.367 41.138 39.000 -0.381 0.000 1.189 622 F HN 0.804 nan 8.300 nan 0.000 0.465 623 A N 2.269 125.097 122.820 0.012 0.000 2.312 623 A HA 0.830 5.149 4.320 -0.000 0.000 0.326 623 A C -1.808 175.698 177.584 -0.130 0.000 1.172 623 A CA -0.364 51.731 52.037 0.097 0.000 0.821 623 A CB 0.528 19.598 19.000 0.116 0.000 1.166 623 A HN 0.661 nan 8.150 nan 0.000 0.493 624 Y N -0.115 120.105 120.300 -0.133 0.000 2.634 624 Y HA 0.820 5.370 4.550 -0.000 0.000 0.340 624 Y C 0.675 176.341 175.900 -0.390 0.000 1.058 624 Y CA -0.540 57.433 58.100 -0.211 0.000 1.081 624 Y CB 2.026 40.325 38.460 -0.269 0.000 1.295 624 Y HN 1.200 nan 8.280 nan 0.000 0.487 625 G N -0.619 108.164 108.800 -0.029 0.000 2.328 625 G HA2 0.677 4.637 3.960 -0.000 0.000 0.295 625 G HA3 0.677 4.637 3.960 -0.000 0.000 0.295 625 G C -2.215 172.705 174.900 0.034 0.000 1.413 625 G CA -0.144 44.963 45.100 0.011 0.000 0.817 625 G HN 1.038 nan 8.290 nan 0.000 0.546 626 A N -1.277 121.568 122.820 0.043 0.000 2.606 626 A HA 1.091 5.411 4.320 -0.000 0.000 0.293 626 A C -0.535 177.071 177.584 0.037 0.000 1.082 626 A CA 0.176 52.227 52.037 0.023 0.000 0.685 626 A CB 1.505 20.483 19.000 -0.035 0.000 1.284 626 A HN 2.563 nan 8.150 nan 0.000 0.408 627 A N 0.604 123.442 122.820 0.031 0.000 2.427 627 A HA 0.755 5.075 4.320 -0.000 0.000 0.298 627 A C -1.304 176.263 177.584 -0.028 0.000 1.036 627 A CA -0.234 51.814 52.037 0.019 0.000 0.701 627 A CB 0.824 19.887 19.000 0.105 0.000 1.250 627 A HN 0.829 nan 8.150 nan 0.000 0.412 628 I N 1.698 122.220 120.570 -0.080 0.000 2.378 628 I HA 0.464 4.634 4.170 -0.000 0.000 0.291 628 I C 0.018 176.108 176.117 -0.044 0.000 0.992 628 I CA 0.223 61.454 61.300 -0.116 0.000 1.154 628 I CB 2.356 40.212 38.000 -0.241 0.000 1.315 628 I HN 0.647 nan 8.210 nan 0.000 0.448 629 T N 5.591 120.154 114.554 0.015 0.000 2.885 629 T HA 0.403 4.753 4.350 -0.000 0.000 0.285 629 T C -0.876 173.843 174.700 0.033 0.000 1.019 629 T CA -0.637 61.482 62.100 0.031 0.000 1.010 629 T CB 1.670 70.610 68.868 0.120 0.000 1.022 629 T HN 0.539 nan 8.240 nan 0.000 0.466 630 E N 1.983 122.184 120.200 0.003 0.000 2.246 630 E HA 0.608 4.958 4.350 -0.000 0.000 0.266 630 E C -1.126 175.448 176.600 -0.043 0.000 0.880 630 E CA -0.776 55.616 56.400 -0.014 0.000 0.762 630 E CB 1.302 30.987 29.700 -0.026 0.000 1.180 630 E HN 0.495 nan 8.360 nan 0.000 0.416 631 V N 0.563 120.447 119.914 -0.050 0.000 3.141 631 V HA 0.795 4.915 4.120 -0.000 0.000 0.312 631 V C -0.768 175.278 176.094 -0.081 0.000 1.157 631 V CA -0.812 61.452 62.300 -0.061 0.000 1.041 631 V CB 1.735 33.530 31.823 -0.047 0.000 1.071 631 V HN 0.404 nan 8.190 nan 0.000 0.441 632 V N 1.887 121.760 119.914 -0.069 0.000 2.656 632 V HA 0.681 4.801 4.120 -0.000 0.000 0.307 632 V C -0.095 175.987 176.094 -0.019 0.000 1.051 632 V CA -0.442 61.827 62.300 -0.050 0.000 0.893 632 V CB 1.290 33.091 31.823 -0.036 0.000 0.999 632 V HN 1.137 nan 8.190 nan 0.000 0.426 633 I N -0.398 120.172 120.570 -0.001 0.000 2.982 633 I HA 0.780 4.949 4.170 -0.000 0.000 0.312 633 I C -1.107 175.023 176.117 0.023 0.000 1.041 633 I CA -0.489 60.808 61.300 -0.004 0.000 1.053 633 I CB 2.359 40.342 38.000 -0.029 0.000 1.248 633 I HN 0.619 nan 8.210 nan 0.000 0.471 634 D N 2.543 122.948 120.400 0.008 0.000 2.414 634 D HA 0.301 4.941 4.640 -0.000 0.000 0.232 634 D C 0.501 176.800 176.300 -0.002 0.000 1.070 634 D CA -0.554 53.454 54.000 0.013 0.000 0.839 634 D CB 1.332 42.136 40.800 0.007 0.000 1.079 634 D HN 0.525 nan 8.370 nan 0.000 0.521 635 R N 2.964 123.464 120.500 -0.001 0.000 2.357 635 R HA 0.040 4.380 4.340 -0.000 0.000 0.202 635 R C 1.310 177.600 176.300 -0.016 0.000 1.047 635 R CA 0.309 56.401 56.100 -0.014 0.000 1.034 635 R CB 0.383 30.674 30.300 -0.015 0.000 0.875 635 R HN 0.519 nan 8.270 nan 0.000 0.473 636 L N -0.284 120.931 121.223 -0.013 0.000 2.187 636 L HA -0.046 4.294 4.340 -0.000 0.000 0.197 636 L C 2.377 179.238 176.870 -0.015 0.000 1.090 636 L CA 1.557 56.389 54.840 -0.014 0.000 0.781 636 L CB -0.438 41.614 42.059 -0.012 0.000 0.956 636 L HN 0.219 nan 8.230 nan 0.000 0.463 637 T N -4.139 110.407 114.554 -0.014 0.000 3.044 637 T HA 0.181 4.531 4.350 -0.000 0.000 0.255 637 T C 1.415 176.103 174.700 -0.020 0.000 1.073 637 T CA 0.693 62.783 62.100 -0.016 0.000 1.125 637 T CB 0.661 69.521 68.868 -0.014 0.000 0.908 637 T HN 0.485 nan 8.240 nan 0.000 0.480 638 G N 1.451 110.238 108.800 -0.021 0.000 2.176 638 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.232 638 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.232 638 G C -0.122 174.762 174.900 -0.027 0.000 0.986 638 G CA 0.005 45.088 45.100 -0.028 0.000 0.643 638 G HN 0.678 nan 8.290 nan 0.000 0.522 639 E N 0.502 120.689 120.200 -0.020 0.000 2.447 639 E HA 0.404 4.754 4.350 -0.000 0.000 0.259 639 E C 0.587 177.175 176.600 -0.021 0.000 1.196 639 E CA 0.858 57.246 56.400 -0.021 0.000 0.995 639 E CB 0.212 29.903 29.700 -0.015 0.000 0.974 639 E HN 0.868 nan 8.360 nan 0.000 0.465 640 N N -0.828 117.858 118.700 -0.024 0.000 3.545 640 N HA 0.374 5.114 4.740 -0.000 0.000 0.227 640 N C -1.575 173.918 175.510 -0.029 0.000 1.380 640 N CA -1.071 51.963 53.050 -0.025 0.000 0.892 640 N CB 1.180 39.646 38.487 -0.035 0.000 1.441 640 N HN 0.595 nan 8.380 nan 0.000 0.497 641 R N -0.459 120.023 120.500 -0.031 0.000 2.728 641 R HA 0.534 4.874 4.340 -0.000 0.000 0.274 641 R C -1.772 174.504 176.300 -0.040 0.000 1.030 641 R CA -1.043 55.037 56.100 -0.034 0.000 0.876 641 R CB 0.750 31.035 30.300 -0.025 0.000 1.259 641 R HN 0.506 nan 8.270 nan 0.000 0.468 642 I N 2.772 123.317 120.570 -0.042 0.000 2.306 642 I HA 0.156 4.326 4.170 -0.000 0.000 0.288 642 I C 1.001 177.082 176.117 -0.059 0.000 1.036 642 I CA -0.600 60.672 61.300 -0.046 0.000 1.221 642 I CB 1.485 39.465 38.000 -0.034 0.000 1.385 642 I HN 0.549 nan 8.210 nan 0.000 0.472 643 L N 5.624 126.807 121.223 -0.066 0.000 2.072 643 L HA 0.111 4.451 4.340 -0.000 0.000 0.205 643 L C 1.125 177.952 176.870 -0.072 0.000 1.079 643 L CA 1.072 55.870 54.840 -0.070 0.000 0.752 643 L CB -0.222 41.782 42.059 -0.091 0.000 0.906 643 L HN 0.579 nan 8.230 nan 0.000 0.436 644 R N -1.132 119.320 120.500 -0.080 0.000 2.629 644 R HA 0.459 4.799 4.340 -0.000 0.000 0.266 644 R C -1.723 174.509 176.300 -0.113 0.000 1.051 644 R CA -0.427 55.620 56.100 -0.087 0.000 0.895 644 R CB 1.901 32.171 30.300 -0.050 0.000 1.246 644 R HN -0.169 nan 8.270 nan 0.000 0.459 645 T N 1.677 116.129 114.554 -0.170 0.000 2.903 645 T HA 0.412 4.762 4.350 -0.000 0.000 0.299 645 T C -1.690 172.941 174.700 -0.115 0.000 1.093 645 T CA -0.678 61.286 62.100 -0.227 0.000 1.002 645 T CB 1.853 70.355 68.868 -0.611 0.000 1.127 645 T HN 0.589 nan 8.240 nan 0.000 0.488 646 D N 1.024 121.368 120.400 -0.095 0.000 2.863 646 D HA 0.625 5.264 4.640 -0.000 0.000 0.245 646 D C -0.779 175.495 176.300 -0.043 0.000 1.211 646 D CA -0.350 53.630 54.000 -0.033 0.000 0.888 646 D CB 1.487 42.273 40.800 -0.024 0.000 1.483 646 D HN 0.369 nan 8.370 nan 0.000 0.533 647 I N 1.648 122.213 120.570 -0.008 0.000 2.892 647 I HA 0.562 4.732 4.170 -0.000 0.000 0.306 647 I C -1.397 174.748 176.117 0.047 0.000 1.078 647 I CA -1.249 60.057 61.300 0.011 0.000 1.032 647 I CB 2.142 40.154 38.000 0.019 0.000 1.229 647 I HN 0.145 nan 8.210 nan 0.000 0.435 648 L N 4.179 125.445 121.223 0.071 0.000 2.491 648 L HA 0.493 4.833 4.340 -0.000 0.000 0.267 648 L C -1.415 175.532 176.870 0.128 0.000 0.971 648 L CA -0.029 54.871 54.840 0.100 0.000 0.857 648 L CB 1.127 43.232 42.059 0.077 0.000 1.226 648 L HN 0.604 nan 8.230 nan 0.000 0.408 649 H N 1.907 121.017 119.070 0.066 0.000 2.679 649 H HA 0.629 5.185 4.556 -0.000 0.000 0.367 649 H C -1.394 174.005 175.328 0.118 0.000 1.162 649 H CA -0.551 55.533 56.048 0.061 0.000 1.181 649 H CB 1.780 31.577 29.762 0.057 0.000 1.693 649 H HN 0.659 nan 8.280 nan 0.000 0.538 650 D N 2.809 122.902 120.400 -0.511 0.000 2.412 650 D HA 0.321 4.961 4.640 -0.000 0.000 0.224 650 D C -0.613 175.641 176.300 -0.078 0.000 1.093 650 D CA -0.453 53.468 54.000 -0.132 0.000 0.850 650 D CB 0.753 41.484 40.800 -0.115 0.000 1.046 650 D HN 0.617 nan 8.370 nan 0.000 0.507 651 A N 3.559 126.445 122.820 0.110 0.000 2.708 651 A HA 0.651 4.971 4.320 -0.000 0.000 0.293 651 A C 1.282 178.928 177.584 0.103 0.000 1.303 651 A CA 0.126 52.247 52.037 0.139 0.000 0.949 651 A CB -0.704 18.392 19.000 0.160 0.000 1.121 651 A HN 0.948 nan 8.150 nan 0.000 0.542 652 G N 0.265 109.127 108.800 0.104 0.000 2.581 652 G HA2 0.073 4.033 3.960 -0.000 0.000 0.291 652 G HA3 0.073 4.033 3.960 -0.000 0.000 0.291 652 G C 0.632 175.552 174.900 0.034 0.000 1.277 652 G CA 0.140 45.272 45.100 0.052 0.000 0.959 652 G HN 1.898 nan 8.290 nan 0.000 0.554 653 A N -0.059 122.765 122.820 0.007 0.000 2.671 653 A HA 0.621 4.941 4.320 -0.000 0.000 0.306 653 A C 1.022 178.613 177.584 0.012 0.000 1.473 653 A CA 1.393 53.431 52.037 0.002 0.000 1.155 653 A CB -0.391 18.612 19.000 0.005 0.000 1.123 653 A HN 2.336 nan 8.150 nan 0.000 0.545 654 S N 2.517 118.226 115.700 0.015 0.000 2.593 654 S HA 0.035 4.505 4.470 -0.000 0.000 0.300 654 S C 1.142 175.739 174.600 -0.005 0.000 1.267 654 S CA -0.165 58.046 58.200 0.018 0.000 1.065 654 S CB -0.235 62.976 63.200 0.019 0.000 0.807 654 S HN 0.567 nan 8.310 nan 0.000 0.499 655 L N 3.148 124.371 121.223 0.000 0.000 2.362 655 L HA 0.124 4.463 4.340 -0.000 0.000 0.219 655 L C 1.303 178.146 176.870 -0.045 0.000 1.134 655 L CA 0.471 55.293 54.840 -0.029 0.000 0.807 655 L CB -0.614 41.439 42.059 -0.010 0.000 0.927 655 L HN 0.691 nan 8.230 nan 0.000 0.447 656 N N -1.162 117.522 118.700 -0.025 0.000 3.151 656 N HA 0.110 4.850 4.740 -0.000 0.000 0.219 656 N C -2.358 173.145 175.510 -0.011 0.000 1.434 656 N CA -0.830 52.203 53.050 -0.028 0.000 0.767 656 N CB 1.065 39.532 38.487 -0.033 0.000 1.564 656 N HN -0.289 nan 8.380 nan 0.000 0.612 657 P HA -0.112 nan 4.420 nan 0.000 0.218 657 P C 1.097 178.396 177.300 -0.001 0.000 1.146 657 P CA 1.564 64.663 63.100 -0.000 0.000 0.820 657 P CB 0.421 32.116 31.700 -0.008 0.000 0.778 658 A N -0.605 122.212 122.820 -0.006 0.000 1.855 658 A HA -0.151 4.169 4.320 -0.000 0.000 0.215 658 A C 2.182 179.770 177.584 0.007 0.000 1.191 658 A CA 1.363 53.399 52.037 -0.002 0.000 0.613 658 A CB -1.556 17.445 19.000 0.002 0.000 0.829 658 A HN 0.098 nan 8.150 nan 0.000 0.442 659 L N -0.407 120.822 121.223 0.011 0.000 2.131 659 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 659 L C 1.937 178.820 176.870 0.022 0.000 1.092 659 L CA 1.418 56.272 54.840 0.023 0.000 0.759 659 L CB -0.748 41.319 42.059 0.013 0.000 0.903 659 L HN 0.347 nan 8.230 nan 0.000 0.435 660 D N 0.161 120.572 120.400 0.019 0.000 2.123 660 D HA -0.116 4.524 4.640 -0.000 0.000 0.200 660 D C 2.287 178.600 176.300 0.022 0.000 0.976 660 D CA 0.919 54.938 54.000 0.030 0.000 0.831 660 D CB 0.004 40.834 40.800 0.052 0.000 0.974 660 D HN 0.169 nan 8.370 nan 0.000 0.469 661 I N 1.151 121.727 120.570 0.010 0.000 2.264 661 I HA -0.145 4.025 4.170 -0.000 0.000 0.248 661 I C 2.482 178.580 176.117 -0.032 0.000 1.111 661 I CA 1.188 62.478 61.300 -0.017 0.000 1.382 661 I CB -1.605 36.373 38.000 -0.036 0.000 1.060 661 I HN -0.010 nan 8.210 nan 0.000 0.418 662 G N 0.361 109.155 108.800 -0.011 0.000 2.422 662 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.218 662 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.218 662 G C 1.580 176.494 174.900 0.022 0.000 1.146 662 G CA 0.198 45.298 45.100 -0.000 0.000 0.769 662 G HN 0.389 nan 8.290 nan 0.000 0.547 663 Q N -0.106 119.709 119.800 0.026 0.000 2.119 663 Q HA 0.024 4.363 4.340 -0.000 0.000 0.201 663 Q C 2.724 178.738 176.000 0.023 0.000 0.972 663 Q CA 0.646 56.472 55.803 0.039 0.000 0.847 663 Q CB -0.109 28.643 28.738 0.024 0.000 0.903 663 Q HN 0.556 nan 8.270 nan 0.000 0.433 664 I N 0.976 121.535 120.570 -0.018 0.000 2.113 664 I HA -0.287 3.883 4.170 -0.000 0.000 0.238 664 I C 2.194 178.341 176.117 0.051 0.000 1.070 664 I CA 1.315 62.590 61.300 -0.041 0.000 1.332 664 I CB -0.523 37.433 38.000 -0.073 0.000 1.044 664 I HN 0.230 nan 8.210 nan 0.000 0.402 665 E N 1.109 121.309 120.200 -0.001 0.000 2.048 665 E HA -0.238 4.112 4.350 -0.000 0.000 0.202 665 E C 2.257 178.986 176.600 0.215 0.000 1.021 665 E CA 1.593 58.015 56.400 0.037 0.000 0.825 665 E CB -0.554 29.003 29.700 -0.238 0.000 0.756 665 E HN 0.635 nan 8.360 nan 0.000 0.454 666 G N 0.917 109.797 108.800 0.133 0.000 2.422 666 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.218 666 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.218 666 G C 1.676 176.691 174.900 0.191 0.000 1.146 666 G CA 0.916 46.113 45.100 0.163 0.000 0.769 666 G HN 0.358 nan 8.290 nan 0.000 0.547 667 A N -0.322 122.606 122.820 0.180 0.000 1.970 667 A HA 0.109 4.429 4.320 -0.000 0.000 0.216 667 A C 2.090 179.757 177.584 0.138 0.000 1.170 667 A CA 1.379 53.541 52.037 0.209 0.000 0.645 667 A CB -0.545 18.578 19.000 0.205 0.000 0.816 667 A HN 0.452 nan 8.150 nan 0.000 0.447 668 Y N 0.732 121.059 120.300 0.044 0.000 2.114 668 Y HA -0.249 4.301 4.550 -0.000 0.000 0.282 668 Y C 2.285 178.161 175.900 -0.041 0.000 1.165 668 Y CA 2.220 60.315 58.100 -0.008 0.000 1.148 668 Y CB -0.420 38.093 38.460 0.088 0.000 0.972 668 Y HN 0.067 nan 8.280 nan 0.000 0.504 669 V N 0.654 120.677 119.914 0.181 0.000 2.332 669 V HA -0.379 3.741 4.120 -0.000 0.000 0.248 669 V C 2.420 178.461 176.094 -0.089 0.000 1.055 669 V CA 2.387 64.700 62.300 0.021 0.000 1.038 669 V CB -0.792 31.102 31.823 0.119 0.000 0.651 669 V HN 0.504 nan 8.190 nan 0.000 0.450 670 Q N -0.285 119.512 119.800 -0.005 0.000 2.020 670 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 670 Q C 2.318 178.233 176.000 -0.141 0.000 0.982 670 Q CA 1.987 57.815 55.803 0.041 0.000 0.838 670 Q CB -0.587 28.301 28.738 0.250 0.000 0.899 670 Q HN 0.682 nan 8.270 nan 0.000 0.423 671 G N 0.122 108.582 108.800 -0.566 0.000 2.469 671 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.219 671 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.219 671 G C 1.406 176.006 174.900 -0.500 0.000 1.150 671 G CA 1.007 45.389 45.100 -1.196 0.000 0.763 671 G HN 0.496 nan 8.290 nan 0.000 0.561 672 A N 0.860 123.369 122.820 -0.518 0.000 1.898 672 A HA 0.190 4.510 4.320 -0.000 0.000 0.216 672 A C 2.750 180.209 177.584 -0.207 0.000 1.181 672 A CA 2.005 53.800 52.037 -0.403 0.000 0.620 672 A CB -1.135 17.548 19.000 -0.529 0.000 0.819 672 A HN 0.578 nan 8.150 nan 0.000 0.442 673 G N -1.202 107.503 108.800 -0.159 0.000 2.505 673 G HA2 -0.353 3.606 3.960 -0.000 0.000 0.220 673 G HA3 -0.353 3.606 3.960 -0.000 0.000 0.220 673 G C 1.345 176.238 174.900 -0.012 0.000 1.145 673 G CA 1.276 46.327 45.100 -0.083 0.000 0.761 673 G HN 0.685 nan 8.290 nan 0.000 0.571 674 W N 1.142 122.323 121.300 -0.198 0.000 2.325 674 W HA 0.009 4.669 4.660 -0.000 0.000 0.299 674 W C 1.645 178.058 176.519 -0.177 0.000 1.215 674 W CA 1.062 58.303 57.345 -0.173 0.000 1.244 674 W CB -0.268 29.087 29.460 -0.176 0.000 1.140 674 W HN 0.151 nan 8.180 nan 0.000 0.523 675 L N 0.571 121.632 121.223 -0.270 0.000 2.818 675 L HA 0.199 4.539 4.340 -0.000 0.000 0.243 675 L C 1.432 178.193 176.870 -0.182 0.000 1.185 675 L CA 0.765 55.333 54.840 -0.453 0.000 0.988 675 L CB -0.450 41.281 42.059 -0.546 0.000 1.292 675 L HN -0.020 nan 8.230 nan 0.000 0.519 676 T N -6.530 107.941 114.554 -0.140 0.000 3.464 676 T HA -0.020 4.330 4.350 -0.000 0.000 0.222 676 T C 1.472 176.107 174.700 -0.108 0.000 0.982 676 T CA 0.696 62.741 62.100 -0.091 0.000 1.132 676 T CB -0.152 68.665 68.868 -0.086 0.000 1.226 676 T HN 0.053 nan 8.240 nan 0.000 0.346 677 T N 0.134 114.606 114.554 -0.136 0.000 3.037 677 T HA 0.290 4.640 4.350 -0.000 0.000 0.251 677 T C 0.486 175.037 174.700 -0.249 0.000 1.079 677 T CA -0.148 61.851 62.100 -0.169 0.000 1.067 677 T CB -0.370 68.394 68.868 -0.173 0.000 0.948 677 T HN 0.468 nan 8.240 nan 0.000 0.496 678 E N 2.197 122.241 120.200 -0.260 0.000 2.265 678 E HA 0.271 4.621 4.350 -0.000 0.000 0.272 678 E C -0.342 176.161 176.600 -0.162 0.000 1.067 678 E CA 0.048 56.210 56.400 -0.397 0.000 0.900 678 E CB 0.553 30.119 29.700 -0.224 0.000 1.017 678 E HN 0.578 nan 8.360 nan 0.000 0.431 679 E N 4.404 124.517 120.200 -0.146 0.000 2.246 679 E HA 0.274 4.624 4.350 -0.000 0.000 0.266 679 E C -1.371 175.317 176.600 0.146 0.000 0.880 679 E CA -0.595 55.826 56.400 0.034 0.000 0.762 679 E CB 1.009 30.695 29.700 -0.022 0.000 1.180 679 E HN 0.370 nan 8.360 nan 0.000 0.416 680 L N 4.120 125.422 121.223 0.131 0.000 2.307 680 L HA 0.526 4.866 4.340 -0.000 0.000 0.282 680 L C -0.885 175.906 176.870 -0.131 0.000 1.051 680 L CA -0.897 53.914 54.840 -0.049 0.000 0.804 680 L CB 1.647 43.629 42.059 -0.128 0.000 1.197 680 L HN 0.408 nan 8.230 nan 0.000 0.431 681 V N 2.098 121.836 119.914 -0.294 0.000 2.483 681 V HA 0.417 4.537 4.120 -0.000 0.000 0.297 681 V C -0.795 175.158 176.094 -0.235 0.000 1.027 681 V CA -0.709 61.509 62.300 -0.137 0.000 0.855 681 V CB 1.889 33.695 31.823 -0.028 0.000 0.995 681 V HN 0.610 nan 8.190 nan 0.000 0.424 682 W N 2.894 124.216 121.300 0.038 0.000 2.606 682 W HA 0.460 5.120 4.660 -0.000 0.000 0.332 682 W C -0.192 176.334 176.519 0.011 0.000 1.052 682 W CA -0.475 56.881 57.345 0.019 0.000 1.223 682 W CB 2.368 31.836 29.460 0.013 0.000 1.383 682 W HN 0.768 nan 8.180 nan 0.000 0.524 683 D N -0.166 120.343 120.400 0.182 0.000 2.466 683 D HA -0.012 4.628 4.640 -0.000 0.000 0.262 683 D C 1.630 177.946 176.300 0.026 0.000 1.177 683 D CA -0.008 54.042 54.000 0.084 0.000 1.035 683 D CB 0.041 40.818 40.800 -0.039 0.000 1.105 683 D HN 0.511 nan 8.370 nan 0.000 0.551 684 H N -1.087 118.026 119.070 0.071 0.000 2.457 684 H HA -0.111 4.445 4.556 -0.000 0.000 0.297 684 H C 1.347 176.695 175.328 0.033 0.000 1.092 684 H CA 0.964 57.038 56.048 0.045 0.000 1.309 684 H CB -1.030 28.748 29.762 0.027 0.000 1.382 684 H HN 0.311 nan 8.280 nan 0.000 0.535 685 C N 0.720 119.755 119.300 -0.442 0.000 2.522 685 C HA 0.259 4.719 4.460 -0.000 0.000 0.271 685 C C 2.136 177.067 174.990 -0.099 0.000 1.425 685 C CA 0.815 59.690 59.018 -0.239 0.000 1.751 685 C CB -0.986 26.563 27.740 -0.319 0.000 1.775 685 C HN 0.963 nan 8.230 nan 0.000 0.557 686 G N 0.436 109.219 108.800 -0.028 0.000 2.175 686 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.244 686 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.244 686 G C 0.188 175.220 174.900 0.219 0.000 0.982 686 G CA -0.278 44.857 45.100 0.059 0.000 0.641 686 G HN 0.558 nan 8.290 nan 0.000 0.527 687 R N -0.249 120.315 120.500 0.107 0.000 2.491 687 R HA 0.425 4.765 4.340 -0.000 0.000 0.283 687 R C 0.293 176.664 176.300 0.118 0.000 1.072 687 R CA -0.583 55.572 56.100 0.092 0.000 1.048 687 R CB 0.709 30.985 30.300 -0.041 0.000 0.983 687 R HN 0.221 nan 8.270 nan 0.000 0.450 688 L N 4.155 125.375 121.223 -0.005 0.000 2.407 688 L HA 0.029 4.369 4.340 -0.000 0.000 0.282 688 L C 0.742 177.509 176.870 -0.170 0.000 1.110 688 L CA 0.386 55.033 54.840 -0.323 0.000 0.863 688 L CB 0.763 42.646 42.059 -0.294 0.000 1.207 688 L HN 0.691 nan 8.230 nan 0.000 0.454 689 M N 2.001 121.504 119.600 -0.162 0.000 2.254 689 M HA 0.043 4.523 4.480 -0.000 0.000 0.265 689 M C 0.929 177.259 176.300 0.049 0.000 1.066 689 M CA 0.841 56.135 55.300 -0.010 0.000 1.123 689 M CB -1.176 31.417 32.600 -0.013 0.000 1.388 689 M HN 0.691 nan 8.290 nan 0.000 0.425 690 T N -0.104 114.412 114.554 -0.064 0.000 2.910 690 T HA 0.342 4.692 4.350 -0.000 0.000 0.323 690 T C 0.004 174.685 174.700 -0.032 0.000 1.091 690 T CA -0.639 61.437 62.100 -0.040 0.000 0.960 690 T CB -0.392 68.462 68.868 -0.024 0.000 1.024 690 T HN 0.500 nan 8.240 nan 0.000 0.509 691 H N 1.370 120.395 119.070 -0.075 0.000 2.616 691 H HA 0.646 5.202 4.556 -0.000 0.000 0.229 691 H C -0.652 174.678 175.328 0.004 0.000 1.418 691 H CA -0.906 55.101 56.048 -0.068 0.000 1.248 691 H CB -0.304 29.419 29.762 -0.066 0.000 1.822 691 H HN 0.918 nan 8.280 nan 0.000 0.522 692 A N 1.353 124.090 122.820 -0.138 0.000 2.611 692 A HA 0.281 4.601 4.320 -0.000 0.000 0.302 692 A C -2.845 174.722 177.584 -0.029 0.000 0.947 692 A CA -0.965 51.019 52.037 -0.088 0.000 0.697 692 A CB 0.525 19.372 19.000 -0.255 0.000 1.247 692 A HN 0.127 nan 8.150 nan 0.000 0.403 693 P HA -0.068 nan 4.420 nan 0.000 0.223 693 P C 1.658 178.915 177.300 -0.073 0.000 1.151 693 P CA 1.803 64.853 63.100 -0.083 0.000 0.787 693 P CB 0.304 32.017 31.700 0.023 0.000 0.788 694 S N -0.842 114.829 115.700 -0.047 0.000 2.419 694 S HA -0.132 4.338 4.470 -0.000 0.000 0.235 694 S C 1.555 176.113 174.600 -0.070 0.000 1.019 694 S CA 2.124 60.290 58.200 -0.056 0.000 0.982 694 S CB -0.990 62.177 63.200 -0.056 0.000 0.789 694 S HN 0.309 nan 8.310 nan 0.000 0.490 695 T N -3.248 111.261 114.554 -0.075 0.000 2.975 695 T HA 0.270 4.620 4.350 -0.000 0.000 0.261 695 T C -0.129 174.554 174.700 -0.028 0.000 0.984 695 T CA -0.394 61.669 62.100 -0.061 0.000 0.911 695 T CB -0.140 68.682 68.868 -0.077 0.000 1.127 695 T HN 0.322 nan 8.240 nan 0.000 0.514 696 Y N 2.822 123.020 120.300 -0.171 0.000 2.334 696 Y HA 0.586 5.135 4.550 -0.000 0.000 0.336 696 Y C -1.109 174.650 175.900 -0.236 0.000 0.960 696 Y CA -1.510 56.478 58.100 -0.187 0.000 1.164 696 Y CB 1.027 39.368 38.460 -0.198 0.000 1.155 696 Y HN -0.204 nan 8.280 nan 0.000 0.478 697 K N 8.876 128.886 120.400 -0.650 0.000 2.414 697 K HA 0.298 4.618 4.320 -0.000 0.000 0.251 697 K C -0.107 176.216 176.600 -0.461 0.000 1.037 697 K CA -0.415 55.608 56.287 -0.439 0.000 0.980 697 K CB 0.376 32.709 32.500 -0.279 0.000 1.280 697 K HN 0.827 nan 8.250 nan 0.000 0.451 698 I N -0.586 119.745 120.570 -0.398 0.000 3.269 698 I HA 0.327 4.496 4.170 -0.000 0.000 0.287 698 I C -1.941 174.085 176.117 -0.153 0.000 1.152 698 I CA -2.248 58.903 61.300 -0.249 0.000 1.263 698 I CB -0.162 37.742 38.000 -0.160 0.000 1.439 698 I HN 0.165 nan 8.210 nan 0.000 0.637 699 P HA 0.204 nan 4.420 nan 0.000 0.268 699 P C -1.021 176.267 177.300 -0.019 0.000 1.204 699 P CA -0.023 63.042 63.100 -0.059 0.000 0.768 699 P CB 0.808 32.480 31.700 -0.047 0.000 0.842 700 A N 2.739 125.562 122.820 0.006 0.000 2.320 700 A HA 0.408 4.728 4.320 -0.000 0.000 0.334 700 A C 0.867 178.532 177.584 0.135 0.000 1.147 700 A CA -0.636 51.442 52.037 0.069 0.000 0.820 700 A CB -0.015 19.020 19.000 0.058 0.000 1.218 700 A HN 0.611 nan 8.150 nan 0.000 0.482 701 F N 2.016 121.979 119.950 0.022 0.000 2.068 701 F HA -0.398 4.129 4.527 -0.000 0.000 0.289 701 F C 2.764 178.580 175.800 0.026 0.000 1.089 701 F CA 3.156 61.177 58.000 0.034 0.000 1.263 701 F CB -0.021 38.998 39.000 0.032 0.000 0.955 701 F HN 0.617 nan 8.300 nan 0.000 0.501 702 S N -0.294 115.645 115.700 0.398 0.000 2.440 702 S HA -0.206 4.264 4.470 -0.000 0.000 0.238 702 S C 1.272 175.943 174.600 0.117 0.000 1.010 702 S CA 1.621 59.968 58.200 0.245 0.000 0.972 702 S CB -0.705 62.572 63.200 0.128 0.000 0.774 702 S HN 0.563 nan 8.310 nan 0.000 0.501 703 D N 1.480 121.920 120.400 0.066 0.000 2.319 703 D HA 0.037 4.677 4.640 -0.000 0.000 0.230 703 D C 0.567 176.859 176.300 -0.015 0.000 1.094 703 D CA -0.005 54.001 54.000 0.010 0.000 0.856 703 D CB -0.278 40.511 40.800 -0.019 0.000 0.915 703 D HN 0.708 nan 8.370 nan 0.000 0.517 704 R N 1.173 121.669 120.500 -0.008 0.000 2.537 704 R HA 0.301 4.640 4.340 -0.000 0.000 0.280 704 R C -2.579 173.676 176.300 -0.075 0.000 1.058 704 R CA -1.290 54.782 56.100 -0.047 0.000 1.057 704 R CB -0.458 29.822 30.300 -0.033 0.000 0.973 704 R HN -0.226 nan 8.270 nan 0.000 0.438 705 P HA -0.051 nan 4.420 nan 0.000 0.266 705 P C -0.013 177.237 177.300 -0.083 0.000 1.193 705 P CA -0.201 62.769 63.100 -0.218 0.000 0.770 705 P CB 0.548 31.938 31.700 -0.518 0.000 0.836 706 R N 1.617 122.092 120.500 -0.042 0.000 2.115 706 R HA 0.166 4.506 4.340 -0.000 0.000 0.226 706 R C 0.794 177.116 176.300 0.037 0.000 1.100 706 R CA 0.860 56.967 56.100 0.012 0.000 0.980 706 R CB -0.240 30.063 30.300 0.006 0.000 0.875 706 R HN 0.520 nan 8.270 nan 0.000 0.445 707 I N 0.389 120.968 120.570 0.016 0.000 2.447 707 I HA 0.259 4.429 4.170 -0.000 0.000 0.287 707 I C -1.094 175.074 176.117 0.085 0.000 1.023 707 I CA -0.500 60.832 61.300 0.052 0.000 1.083 707 I CB 2.011 40.022 38.000 0.019 0.000 1.245 707 I HN -0.092 nan 8.210 nan 0.000 0.434 708 F N 7.056 126.971 119.950 -0.058 0.000 2.810 708 F HA 0.411 4.938 4.527 -0.000 0.000 0.373 708 F C -0.732 175.019 175.800 -0.082 0.000 1.174 708 F CA -0.960 56.984 58.000 -0.094 0.000 1.141 708 F CB 0.766 39.717 39.000 -0.082 0.000 1.420 708 F HN 0.447 nan 8.300 nan 0.000 0.518 709 N N 5.106 123.912 118.700 0.178 0.000 2.424 709 N HA 0.372 5.112 4.740 -0.000 0.000 0.271 709 N C -0.926 174.592 175.510 0.013 0.000 0.985 709 N CA -0.293 52.781 53.050 0.041 0.000 0.921 709 N CB 2.596 41.103 38.487 0.033 0.000 1.149 709 N HN 0.153 nan 8.380 nan 0.000 0.492 710 V N 0.623 120.493 119.914 -0.073 0.000 2.555 710 V HA 0.888 5.008 4.120 -0.000 0.000 0.302 710 V C -0.033 176.048 176.094 -0.021 0.000 1.038 710 V CA -0.858 61.407 62.300 -0.057 0.000 0.887 710 V CB 1.361 33.102 31.823 -0.137 0.000 0.991 710 V HN 0.796 nan 8.190 nan 0.000 0.434 711 A N 4.562 127.399 122.820 0.028 0.000 2.549 711 A HA 0.897 5.217 4.320 -0.000 0.000 0.297 711 A C -1.250 176.393 177.584 0.097 0.000 1.061 711 A CA -0.606 51.459 52.037 0.046 0.000 0.690 711 A CB 1.426 20.453 19.000 0.045 0.000 1.287 711 A HN 0.745 nan 8.150 nan 0.000 0.402 712 L N 1.499 122.782 121.223 0.100 0.000 2.360 712 L HA 0.442 4.782 4.340 -0.000 0.000 0.271 712 L C -0.135 176.856 176.870 0.202 0.000 1.057 712 L CA -0.504 54.426 54.840 0.150 0.000 0.803 712 L CB 1.280 43.405 42.059 0.109 0.000 1.207 712 L HN 0.814 nan 8.230 nan 0.000 0.445 713 W N 3.136 124.434 121.300 -0.003 0.000 2.316 713 W HA 0.193 4.853 4.660 0.000 0.000 0.308 713 W C -0.909 175.595 176.519 -0.024 0.000 1.106 713 W CA -0.455 56.876 57.345 -0.023 0.000 1.262 713 W CB 1.455 30.887 29.460 -0.045 0.000 1.233 713 W HN 0.474 nan 8.180 nan 0.000 0.447 714 D N 5.251 125.495 120.400 -0.259 0.000 2.500 714 D HA 0.174 4.814 4.640 -0.000 0.000 0.219 714 D C -0.629 175.476 176.300 -0.324 0.000 1.137 714 D CA 0.432 54.307 54.000 -0.208 0.000 0.946 714 D CB 0.426 41.131 40.800 -0.157 0.000 1.022 714 D HN 0.342 nan 8.370 nan 0.000 0.518 715 Q N 3.253 122.928 119.800 -0.208 0.000 2.271 715 Q HA 0.330 4.670 4.340 -0.000 0.000 0.268 715 Q C -2.442 173.541 176.000 -0.028 0.000 1.021 715 Q CA -1.939 53.774 55.803 -0.150 0.000 0.802 715 Q CB 2.798 31.448 28.738 -0.147 0.000 1.282 715 Q HN 0.294 nan 8.270 nan 0.000 0.431 716 P HA -0.099 nan 4.420 nan 0.000 0.267 716 P C -0.517 176.768 177.300 -0.025 0.000 1.200 716 P CA -0.068 63.016 63.100 -0.027 0.000 0.772 716 P CB 0.604 32.287 31.700 -0.028 0.000 0.855 717 N N 2.263 120.925 118.700 -0.064 0.000 2.520 717 N HA 0.028 4.768 4.740 -0.000 0.000 0.273 717 N C 1.305 176.765 175.510 -0.083 0.000 1.155 717 N CA -0.048 52.934 53.050 -0.114 0.000 0.967 717 N CB 0.464 38.785 38.487 -0.278 0.000 1.092 717 N HN 0.225 nan 8.380 nan 0.000 0.457 718 R N 1.200 121.672 120.500 -0.046 0.000 2.096 718 R HA -0.043 4.297 4.340 -0.000 0.000 0.235 718 R C 0.104 176.383 176.300 -0.036 0.000 1.127 718 R CA 0.974 57.062 56.100 -0.021 0.000 0.968 718 R CB 0.066 30.374 30.300 0.014 0.000 0.861 718 R HN 0.650 nan 8.270 nan 0.000 0.440 719 E N 1.047 121.205 120.200 -0.070 0.000 2.314 719 E HA 0.057 4.407 4.350 -0.000 0.000 0.262 719 E C -0.469 176.084 176.600 -0.079 0.000 1.093 719 E CA -0.053 56.316 56.400 -0.051 0.000 0.908 719 E CB 0.662 30.349 29.700 -0.020 0.000 1.091 719 E HN 0.149 nan 8.360 nan 0.000 0.425 720 E N 1.341 121.519 120.200 -0.035 0.000 1.892 720 E HA 0.088 4.438 4.350 -0.000 0.000 0.271 720 E C -0.285 176.283 176.600 -0.053 0.000 1.146 720 E CA -0.184 56.190 56.400 -0.043 0.000 1.096 720 E CB 0.026 29.715 29.700 -0.019 0.000 1.155 720 E HN 0.333 nan 8.360 nan 0.000 0.458 721 T N -0.845 113.643 114.554 -0.109 0.000 2.928 721 T HA 0.315 4.665 4.350 -0.000 0.000 0.284 721 T C 0.451 175.052 174.700 -0.164 0.000 1.008 721 T CA -1.018 61.004 62.100 -0.130 0.000 1.057 721 T CB 1.164 69.922 68.868 -0.182 0.000 1.018 721 T HN 0.160 nan 8.240 nan 0.000 0.493 722 I N 3.018 123.462 120.570 -0.210 0.000 3.114 722 I HA -0.016 4.154 4.170 -0.000 0.000 0.320 722 I C 0.415 176.475 176.117 -0.096 0.000 1.230 722 I CA -0.110 61.033 61.300 -0.261 0.000 1.440 722 I CB -1.265 36.617 38.000 -0.196 0.000 1.334 722 I HN 0.796 nan 8.210 nan 0.000 0.532 723 F N 6.631 126.532 119.950 -0.081 0.000 3.021 723 F HA -0.356 4.171 4.527 -0.000 0.000 0.256 723 F C 1.234 176.990 175.800 -0.073 0.000 0.976 723 F CA 0.936 58.895 58.000 -0.068 0.000 0.861 723 F CB -1.310 37.652 39.000 -0.063 0.000 0.778 723 F HN 0.632 nan 8.300 nan 0.000 0.765 724 R N -1.631 118.875 120.500 0.009 0.000 3.502 724 R HA -0.221 4.119 4.340 -0.000 0.000 0.266 724 R C 0.550 176.825 176.300 -0.041 0.000 1.077 724 R CA 0.808 56.883 56.100 -0.041 0.000 0.718 724 R CB -2.227 28.059 30.300 -0.023 0.000 1.120 724 R HN 0.519 nan 8.270 nan 0.000 0.457 725 S N -0.388 115.296 115.700 -0.026 0.000 2.713 725 S HA 0.668 5.138 4.470 -0.000 0.000 0.277 725 S C 0.080 174.638 174.600 -0.070 0.000 1.168 725 S CA -0.814 57.379 58.200 -0.011 0.000 0.994 725 S CB 2.569 65.786 63.200 0.029 0.000 1.054 725 S HN 0.257 nan 8.310 nan 0.000 0.555 726 K N -0.320 120.086 120.400 0.010 0.000 2.426 726 K HA 0.669 4.989 4.320 -0.000 0.000 0.251 726 K C -0.586 176.139 176.600 0.208 0.000 0.941 726 K CA -0.790 55.560 56.287 0.105 0.000 0.808 726 K CB 2.067 34.673 32.500 0.177 0.000 1.265 726 K HN 0.873 nan 8.250 nan 0.000 0.432 727 A N 1.192 124.210 122.820 0.328 0.000 2.561 727 A HA 0.095 4.415 4.320 -0.000 0.000 0.234 727 A C 0.355 178.014 177.584 0.125 0.000 1.055 727 A CA 0.141 52.273 52.037 0.158 0.000 0.756 727 A CB 0.361 19.416 19.000 0.091 0.000 0.986 727 A HN 0.517 nan 8.150 nan 0.000 0.505 728 V N 2.750 122.702 119.914 0.064 0.000 3.265 728 V HA 0.327 4.447 4.120 -0.000 0.000 0.346 728 V C 1.248 177.327 176.094 -0.025 0.000 1.447 728 V CA 0.777 63.121 62.300 0.074 0.000 1.179 728 V CB -0.039 31.848 31.823 0.106 0.000 1.103 728 V HN 1.145 nan 8.190 nan 0.000 0.530 729 G N 0.116 108.875 108.800 -0.069 0.000 2.404 729 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.213 729 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.213 729 G C 1.098 175.920 174.900 -0.130 0.000 1.189 729 G CA 1.151 46.200 45.100 -0.085 0.000 0.796 729 G HN 0.568 nan 8.290 nan 0.000 0.532 730 E N 0.418 120.452 120.200 -0.276 0.000 2.079 730 E HA 0.011 4.361 4.350 -0.000 0.000 0.191 730 E C -0.211 176.052 176.600 -0.561 0.000 0.961 730 E CA 0.254 56.392 56.400 -0.438 0.000 0.823 730 E CB -0.064 29.279 29.700 -0.596 0.000 0.789 730 E HN 0.225 nan 8.360 nan 0.000 0.459 731 P HA -0.181 nan 4.420 nan 0.000 0.216 731 P C -1.561 175.626 177.300 -0.188 0.000 1.157 731 P CA 2.265 65.016 63.100 -0.581 0.000 0.880 731 P CB -1.163 30.419 31.700 -0.197 0.000 0.791 732 P HA -0.184 nan 4.420 nan 0.000 0.225 732 P C 1.584 178.867 177.300 -0.027 0.000 1.148 732 P CA 0.980 63.902 63.100 -0.296 0.000 0.779 732 P CB -0.550 30.857 31.700 -0.488 0.000 0.780 733 F N 1.349 121.213 119.950 -0.142 0.000 2.161 733 F HA -0.181 4.346 4.527 -0.000 0.000 0.300 733 F C 1.832 177.614 175.800 -0.030 0.000 1.089 733 F CA 1.241 59.197 58.000 -0.073 0.000 1.282 733 F CB -0.814 38.125 39.000 -0.100 0.000 1.010 733 F HN -0.274 nan 8.300 nan 0.000 0.485 734 L N 0.431 121.754 121.223 0.168 0.000 2.349 734 L HA -0.196 4.144 4.340 -0.000 0.000 0.220 734 L C 1.969 178.868 176.870 0.047 0.000 1.130 734 L CA 1.162 56.078 54.840 0.127 0.000 0.791 734 L CB -1.103 41.063 42.059 0.179 0.000 0.918 734 L HN 0.226 nan 8.230 nan 0.000 0.444 735 L N -0.854 120.397 121.223 0.046 0.000 2.549 735 L HA -0.096 4.244 4.340 -0.000 0.000 0.230 735 L C 2.375 179.290 176.870 0.074 0.000 1.162 735 L CA 0.737 55.646 54.840 0.116 0.000 0.834 735 L CB -0.981 41.205 42.059 0.211 0.000 0.947 735 L HN 0.383 nan 8.230 nan 0.000 0.452 736 G N 0.196 108.895 108.800 -0.167 0.000 2.421 736 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.217 736 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.217 736 G C 1.560 176.378 174.900 -0.136 0.000 1.143 736 G CA 0.135 45.014 45.100 -0.368 0.000 0.784 736 G HN 0.312 nan 8.290 nan 0.000 0.541 737 I N 2.203 122.752 120.570 -0.035 0.000 2.290 737 I HA -0.321 3.849 4.170 -0.000 0.000 0.253 737 I C 3.134 179.310 176.117 0.098 0.000 1.112 737 I CA 1.646 62.976 61.300 0.049 0.000 1.377 737 I CB -0.279 37.779 38.000 0.096 0.000 1.060 737 I HN 0.386 nan 8.210 nan 0.000 0.428 738 S N 1.222 116.980 115.700 0.097 0.000 2.400 738 S HA -0.181 4.289 4.470 -0.000 0.000 0.232 738 S C 2.206 176.866 174.600 0.099 0.000 1.025 738 S CA 0.977 59.246 58.200 0.114 0.000 0.993 738 S CB -0.441 62.841 63.200 0.137 0.000 0.808 738 S HN 0.450 nan 8.310 nan 0.000 0.478 739 A N 0.951 123.810 122.820 0.064 0.000 1.930 739 A HA 0.105 4.425 4.320 -0.000 0.000 0.217 739 A C 1.913 179.527 177.584 0.050 0.000 1.175 739 A CA 1.317 53.377 52.037 0.039 0.000 0.627 739 A CB -1.052 17.920 19.000 -0.047 0.000 0.815 739 A HN 0.589 nan 8.150 nan 0.000 0.443 740 F N 0.484 120.378 119.950 -0.093 0.000 2.031 740 F HA -0.155 4.371 4.527 -0.000 0.000 0.295 740 F C 1.845 177.623 175.800 -0.035 0.000 1.133 740 F CA 1.637 59.581 58.000 -0.093 0.000 1.188 740 F CB -0.514 38.404 39.000 -0.136 0.000 0.974 740 F HN 0.131 nan 8.300 nan 0.000 0.473 741 L N 0.645 121.889 121.223 0.035 0.000 2.129 741 L HA -0.220 4.120 4.340 -0.000 0.000 0.212 741 L C 2.644 179.498 176.870 -0.027 0.000 1.087 741 L CA 1.871 56.674 54.840 -0.062 0.000 0.757 741 L CB -2.116 39.963 42.059 0.034 0.000 0.896 741 L HN 0.346 nan 8.230 nan 0.000 0.434 742 A N -1.456 121.361 122.820 -0.004 0.000 1.897 742 A HA -0.124 4.196 4.320 -0.000 0.000 0.215 742 A C 2.157 179.712 177.584 -0.050 0.000 1.181 742 A CA 0.935 52.977 52.037 0.009 0.000 0.620 742 A CB -0.575 18.439 19.000 0.022 0.000 0.821 742 A HN 0.274 nan 8.150 nan 0.000 0.443 743 L N -0.016 121.144 121.223 -0.106 0.000 2.081 743 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 743 L C 2.364 179.110 176.870 -0.207 0.000 1.080 743 L CA 2.593 57.340 54.840 -0.155 0.000 0.754 743 L CB -1.516 40.432 42.059 -0.184 0.000 0.893 743 L HN 0.806 nan 8.230 nan 0.000 0.433 744 H N -1.616 117.224 119.070 -0.383 0.000 2.395 744 H HA -0.146 4.410 4.556 -0.000 0.000 0.299 744 H C 2.022 177.221 175.328 -0.215 0.000 1.070 744 H CA 1.669 57.487 56.048 -0.382 0.000 1.356 744 H CB 0.007 29.473 29.762 -0.495 0.000 1.401 744 H HN 0.347 nan 8.280 nan 0.000 0.524 745 D N 0.320 120.685 120.400 -0.058 0.000 2.116 745 D HA -0.203 4.437 4.640 -0.000 0.000 0.193 745 D C 2.295 178.495 176.300 -0.167 0.000 0.998 745 D CA 1.809 55.767 54.000 -0.071 0.000 0.836 745 D CB -0.486 40.343 40.800 0.048 0.000 0.951 745 D HN 0.549 nan 8.370 nan 0.000 0.449 746 A N -0.290 122.449 122.820 -0.135 0.000 1.883 746 A HA -0.215 4.104 4.320 -0.000 0.000 0.217 746 A C 2.672 180.159 177.584 -0.163 0.000 1.186 746 A CA 1.750 53.720 52.037 -0.111 0.000 0.624 746 A CB -1.170 17.781 19.000 -0.081 0.000 0.822 746 A HN 0.526 nan 8.150 nan 0.000 0.444 747 C N -0.852 118.301 119.300 -0.245 0.000 2.398 747 C HA -0.055 4.405 4.460 -0.000 0.000 0.276 747 C C 3.229 178.066 174.990 -0.255 0.000 1.222 747 C CA 0.939 59.806 59.018 -0.250 0.000 1.746 747 C CB -1.535 26.012 27.740 -0.322 0.000 2.039 747 C HN 0.709 nan 8.230 nan 0.000 0.470 748 A N 0.146 122.735 122.820 -0.385 0.000 2.178 748 A HA 0.180 4.500 4.320 -0.000 0.000 0.218 748 A C 2.179 179.685 177.584 -0.129 0.000 1.157 748 A CA 1.656 53.539 52.037 -0.256 0.000 0.689 748 A CB -0.528 18.317 19.000 -0.259 0.000 0.787 748 A HN 0.643 nan 8.150 nan 0.000 0.465 749 A N -1.762 120.989 122.820 -0.116 0.000 2.167 749 A HA 0.042 4.362 4.320 -0.000 0.000 0.214 749 A C 1.717 179.273 177.584 -0.046 0.000 1.151 749 A CA 1.175 53.177 52.037 -0.058 0.000 0.735 749 A CB -0.765 18.216 19.000 -0.032 0.000 0.802 749 A HN 0.571 nan 8.150 nan 0.000 0.467 750 C N -0.873 118.391 119.300 -0.060 0.000 2.697 750 C HA 0.544 5.004 4.460 -0.000 0.000 0.267 750 C C 1.339 176.308 174.990 -0.036 0.000 1.278 750 C CA 0.107 59.099 59.018 -0.043 0.000 1.708 750 C CB -1.267 26.446 27.740 -0.046 0.000 1.860 750 C HN 0.755 nan 8.230 nan 0.000 0.589 751 G N 0.464 109.238 108.800 -0.044 0.000 2.356 751 G HA2 0.400 4.360 3.960 -0.000 0.000 0.294 751 G HA3 0.400 4.360 3.960 -0.000 0.000 0.294 751 G C -2.811 172.038 174.900 -0.086 0.000 1.423 751 G CA -0.254 44.817 45.100 -0.047 0.000 0.806 751 G HN -0.178 nan 8.290 nan 0.000 0.527 752 P HA 0.200 nan 4.420 nan 0.000 0.261 752 P C -0.060 177.084 177.300 -0.260 0.000 1.268 752 P CA 0.270 63.224 63.100 -0.242 0.000 0.833 752 P CB 0.098 31.584 31.700 -0.357 0.000 1.231 753 H N -1.030 118.078 119.070 0.063 0.000 2.502 753 H HA 0.110 4.666 4.556 -0.000 0.000 0.338 753 H C -0.169 175.266 175.328 0.178 0.000 1.155 753 H CA -0.846 55.272 56.048 0.117 0.000 1.237 753 H CB 0.958 30.773 29.762 0.088 0.000 1.534 753 H HN 0.170 nan 8.280 nan 0.000 0.523 754 W N 4.824 126.204 121.300 0.133 0.000 2.489 754 W HA 0.020 4.679 4.660 -0.000 0.000 0.327 754 W C -2.057 174.479 176.519 0.029 0.000 1.436 754 W CA -1.562 55.812 57.345 0.048 0.000 1.315 754 W CB 0.512 29.990 29.460 0.030 0.000 1.373 754 W HN 0.498 nan 8.180 nan 0.000 0.557 755 P HA -0.175 nan 4.420 nan 0.000 0.223 755 P C 0.115 177.042 177.300 -0.623 0.000 1.151 755 P CA 1.382 64.235 63.100 -0.411 0.000 0.787 755 P CB 0.063 31.508 31.700 -0.425 0.000 0.788 756 D N -1.705 117.883 120.400 -1.353 0.000 2.686 756 D HA -0.176 4.464 4.640 -0.000 0.000 0.235 756 D C -0.394 175.646 176.300 -0.434 0.000 1.160 756 D CA 0.241 53.638 54.000 -1.005 0.000 0.645 756 D CB -1.275 39.260 40.800 -0.441 0.000 1.039 756 D HN 0.088 nan 8.370 nan 0.000 0.423 757 L N 0.527 121.496 121.223 -0.424 0.000 2.455 757 L HA 0.193 4.533 4.340 -0.000 0.000 0.272 757 L C 0.431 177.345 176.870 0.073 0.000 1.174 757 L CA 0.447 55.172 54.840 -0.191 0.000 0.869 757 L CB 0.669 42.556 42.059 -0.286 0.000 1.130 757 L HN 0.015 nan 8.230 nan 0.000 0.474 758 Q N 4.016 123.915 119.800 0.164 0.000 2.194 758 Q HA 0.749 5.089 4.340 -0.000 0.000 0.245 758 Q C -0.782 175.402 176.000 0.305 0.000 0.993 758 Q CA -0.535 55.445 55.803 0.295 0.000 0.930 758 Q CB 1.572 30.408 28.738 0.163 0.000 1.238 758 Q HN 0.843 nan 8.270 nan 0.000 0.486 759 A N 1.203 124.097 122.820 0.122 0.000 2.355 759 A HA 0.728 5.048 4.320 -0.000 0.000 0.317 759 A C -2.435 175.064 177.584 -0.141 0.000 1.094 759 A CA -1.580 50.375 52.037 -0.137 0.000 0.764 759 A CB 0.913 19.577 19.000 -0.560 0.000 1.230 759 A HN 0.371 nan 8.150 nan 0.000 0.448 760 P HA 0.371 nan 4.420 nan 0.000 0.274 760 P C -0.190 177.104 177.300 -0.010 0.000 1.237 760 P CA -0.199 62.807 63.100 -0.156 0.000 0.793 760 P CB 0.926 32.554 31.700 -0.119 0.000 0.977 761 A N 1.169 124.021 122.820 0.053 0.000 3.118 761 A HA 0.309 4.629 4.320 -0.000 0.000 0.256 761 A C 0.636 178.218 177.584 -0.003 0.000 1.667 761 A CA -0.177 51.908 52.037 0.080 0.000 1.338 761 A CB -1.570 17.512 19.000 0.137 0.000 1.127 761 A HN 0.572 nan 8.150 nan 0.000 0.634 762 T N -1.655 112.886 114.554 -0.022 0.000 2.802 762 T HA 0.240 4.590 4.350 -0.000 0.000 0.305 762 T C -1.564 173.117 174.700 -0.033 0.000 1.053 762 T CA -1.023 61.053 62.100 -0.039 0.000 1.058 762 T CB 0.261 69.106 68.868 -0.039 0.000 0.988 762 T HN 0.161 nan 8.240 nan 0.000 0.539 763 P HA -0.160 nan 4.420 nan 0.000 0.216 763 P C 1.549 178.831 177.300 -0.030 0.000 1.157 763 P CA 1.327 64.407 63.100 -0.034 0.000 0.880 763 P CB 0.034 31.715 31.700 -0.033 0.000 0.791 764 E N -0.590 119.595 120.200 -0.025 0.000 2.049 764 E HA -0.257 4.093 4.350 -0.000 0.000 0.198 764 E C 2.006 178.593 176.600 -0.020 0.000 1.007 764 E CA 1.507 57.895 56.400 -0.020 0.000 0.809 764 E CB -0.602 29.090 29.700 -0.013 0.000 0.749 764 E HN 0.058 nan 8.360 nan 0.000 0.450 765 A N 0.368 123.178 122.820 -0.016 0.000 1.917 765 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 765 A C 2.411 179.975 177.584 -0.033 0.000 1.182 765 A CA 1.808 53.838 52.037 -0.011 0.000 0.633 765 A CB -0.743 18.262 19.000 0.008 0.000 0.819 765 A HN 0.246 nan 8.150 nan 0.000 0.448 766 V N -0.572 119.316 119.914 -0.043 0.000 2.358 766 V HA -0.196 3.923 4.120 -0.000 0.000 0.246 766 V C 2.448 178.501 176.094 -0.067 0.000 1.047 766 V CA 1.771 64.029 62.300 -0.069 0.000 1.035 766 V CB -0.768 31.015 31.823 -0.066 0.000 0.658 766 V HN 0.555 nan 8.190 nan 0.000 0.452 767 L N 0.990 122.184 121.223 -0.048 0.000 2.042 767 L HA -0.119 4.220 4.340 -0.000 0.000 0.210 767 L C 2.505 179.348 176.870 -0.045 0.000 1.076 767 L CA 2.315 57.129 54.840 -0.043 0.000 0.749 767 L CB -1.063 40.977 42.059 -0.031 0.000 0.893 767 L HN 0.247 nan 8.230 nan 0.000 0.432 768 A N -0.584 122.211 122.820 -0.042 0.000 1.892 768 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 768 A C 2.452 179.997 177.584 -0.065 0.000 1.188 768 A CA 2.200 54.211 52.037 -0.042 0.000 0.631 768 A CB -1.227 17.753 19.000 -0.033 0.000 0.822 768 A HN 0.566 nan 8.150 nan 0.000 0.447 769 A N -0.792 121.973 122.820 -0.091 0.000 1.930 769 A HA 0.061 4.380 4.320 -0.000 0.000 0.217 769 A C 2.234 179.743 177.584 -0.124 0.000 1.175 769 A CA 1.640 53.593 52.037 -0.139 0.000 0.627 769 A CB -0.908 17.977 19.000 -0.192 0.000 0.815 769 A HN 0.370 nan 8.150 nan 0.000 0.443 770 V N 0.867 120.720 119.914 -0.100 0.000 2.219 770 V HA -0.347 3.773 4.120 -0.000 0.000 0.248 770 V C 2.705 178.768 176.094 -0.051 0.000 1.053 770 V CA 2.439 64.692 62.300 -0.079 0.000 1.009 770 V CB -0.889 30.897 31.823 -0.061 0.000 0.636 770 V HN 0.608 nan 8.190 nan 0.000 0.445 771 R N -0.108 120.368 120.500 -0.041 0.000 2.103 771 R HA -0.214 4.126 4.340 -0.000 0.000 0.242 771 R C 2.401 178.690 176.300 -0.018 0.000 1.142 771 R CA 1.741 57.827 56.100 -0.024 0.000 0.960 771 R CB -0.608 29.679 30.300 -0.022 0.000 0.858 771 R HN 0.457 nan 8.270 nan 0.000 0.439 772 R N 0.670 121.149 120.500 -0.036 0.000 2.091 772 R HA -0.125 4.215 4.340 -0.000 0.000 0.238 772 R C 2.458 178.774 176.300 0.028 0.000 1.136 772 R CA 1.637 57.721 56.100 -0.027 0.000 0.959 772 R CB -0.412 29.855 30.300 -0.056 0.000 0.856 772 R HN 0.297 nan 8.270 nan 0.000 0.437 773 A N 0.867 123.693 122.820 0.010 0.000 1.898 773 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 773 A C 1.822 179.477 177.584 0.118 0.000 1.181 773 A CA 1.356 53.427 52.037 0.057 0.000 0.620 773 A CB -0.352 18.625 19.000 -0.037 0.000 0.819 773 A HN 0.322 nan 8.150 nan 0.000 0.442 774 E N -1.578 118.659 120.200 0.061 0.000 2.333 774 E HA 0.060 4.410 4.350 -0.000 0.000 0.198 774 E C 1.295 177.973 176.600 0.130 0.000 1.007 774 E CA 0.449 56.889 56.400 0.066 0.000 0.845 774 E CB -0.245 29.467 29.700 0.020 0.000 0.766 774 E HN 0.801 nan 8.360 nan 0.000 0.507 775 G N 1.313 110.203 108.800 0.150 0.000 2.159 775 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.256 775 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.256 775 G C 0.621 175.528 174.900 0.012 0.000 0.977 775 G CA 0.250 45.398 45.100 0.080 0.000 0.652 775 G HN 0.214 nan 8.290 nan 0.000 0.531 776 R N 0.459 120.966 120.500 0.012 0.000 2.788 776 R HA 0.538 4.878 4.340 -0.000 0.000 0.264 776 R C 1.059 177.350 176.300 -0.014 0.000 1.267 776 R CA 0.887 56.986 56.100 -0.002 0.000 1.213 776 R CB -0.519 29.780 30.300 -0.001 0.000 1.256 776 R HN 1.726 nan 8.270 nan 0.000 0.556 777 A N 0.000 122.803 122.820 -0.028 0.000 2.254 777 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 777 A CA 0.000 52.019 52.037 -0.031 0.000 0.836 777 A CB 0.000 18.988 19.000 -0.019 0.000 0.831 777 A HN 0.000 nan 8.150 nan 0.000 0.486