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_D 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 0.000 174.494 174.600 -0.177 0.000 1.055 2 S CA 0.000 58.114 58.200 -0.143 0.000 1.107 2 S CB 0.000 63.125 63.200 -0.124 0.000 0.593 3 V N 2.835 122.579 119.914 -0.283 0.000 2.644 3 V HA 0.361 4.508 4.120 0.044 0.000 0.305 3 V C 1.679 177.628 176.094 -0.242 0.000 1.053 3 V CA 2.120 64.214 62.300 -0.344 0.000 1.186 3 V CB 0.371 31.752 31.823 -0.736 0.000 0.895 3 V HN 0.984 nan 8.190 nan 0.000 0.490 4 G N 4.211 112.914 108.800 -0.161 0.000 2.254 4 G HA2 -0.179 3.807 3.960 0.044 0.000 0.225 4 G HA3 -0.179 3.807 3.960 0.044 0.000 0.225 4 G C 0.278 175.131 174.900 -0.078 0.000 1.003 4 G CA -0.019 45.015 45.100 -0.110 0.000 0.622 4 G HN 0.576 nan 8.290 nan 0.000 0.507 5 K N 1.248 121.600 120.400 -0.081 0.000 2.118 5 K HA 0.459 4.805 4.320 0.044 0.000 0.264 5 K C -2.544 174.028 176.600 -0.047 0.000 1.000 5 K CA -1.546 54.706 56.287 -0.059 0.000 0.929 5 K CB 1.615 34.080 32.500 -0.060 0.000 1.021 5 K HN -0.004 nan 8.250 nan 0.000 0.463 6 P HA 0.189 nan 4.420 nan 0.000 0.219 6 P C -0.653 176.636 177.300 -0.019 0.000 1.832 6 P CA -0.028 63.058 63.100 -0.024 0.000 1.014 6 P CB -0.081 31.608 31.700 -0.018 0.000 1.939 7 L N 2.967 124.176 121.223 -0.024 0.000 2.399 7 L HA 0.437 4.803 4.340 0.044 0.000 0.266 7 L C -1.514 175.357 176.870 0.000 0.000 1.114 7 L CA -2.414 52.416 54.840 -0.016 0.000 0.804 7 L CB 0.291 42.334 42.059 -0.028 0.000 1.146 7 L HN 0.045 nan 8.230 nan 0.000 0.451 8 P HA -0.076 nan 4.420 nan 0.000 0.269 8 P C -0.500 176.842 177.300 0.071 0.000 1.217 8 P CA -0.163 62.964 63.100 0.045 0.000 0.783 8 P CB 0.388 32.109 31.700 0.036 0.000 0.898 9 H N 2.266 121.334 119.070 -0.003 0.000 2.948 9 H HA -0.093 4.487 4.556 0.042 0.000 0.351 9 H C 1.400 176.705 175.328 -0.039 0.000 1.079 9 H CA 0.978 57.026 56.048 -0.001 0.000 1.407 9 H CB 0.494 30.276 29.762 0.033 0.000 1.373 9 H HN 0.579 nan 8.280 nan 0.000 0.605 10 D N 1.988 122.378 120.400 -0.016 0.000 2.182 10 D HA -0.142 4.524 4.640 0.044 0.000 0.201 10 D C 0.119 176.490 176.300 0.118 0.000 0.986 10 D CA 1.077 55.109 54.000 0.054 0.000 0.847 10 D CB 0.145 40.945 40.800 0.001 0.000 0.942 10 D HN 0.287 nan 8.370 nan 0.000 0.467 11 S N -0.150 115.708 115.700 0.263 0.000 2.526 11 S HA 0.495 4.991 4.470 0.044 0.000 0.245 11 S C 1.163 175.329 174.600 -0.723 0.000 1.103 11 S CA -0.076 57.982 58.200 -0.237 0.000 1.095 11 S CB 1.077 64.152 63.200 -0.208 0.000 0.826 11 S HN 0.458 nan 8.310 nan 0.000 0.468 12 A N 2.337 124.950 122.820 -0.345 0.000 1.855 12 A HA -0.076 4.270 4.320 0.044 0.000 0.215 12 A C 2.053 179.553 177.584 -0.141 0.000 1.191 12 A CA 1.287 53.164 52.037 -0.267 0.000 0.613 12 A CB -0.449 18.516 19.000 -0.059 0.000 0.829 12 A HN 0.475 nan 8.150 nan 0.000 0.442 13 R N -0.382 120.067 120.500 -0.085 0.000 2.096 13 R HA -0.186 4.180 4.340 0.044 0.000 0.240 13 R C 2.157 178.436 176.300 -0.035 0.000 1.139 13 R CA 1.746 57.823 56.100 -0.038 0.000 0.952 13 R CB -0.393 29.891 30.300 -0.026 0.000 0.854 13 R HN 0.462 nan 8.270 nan 0.000 0.436 14 A N -0.741 122.029 122.820 -0.084 0.000 2.066 14 A HA -0.100 4.246 4.320 0.044 0.000 0.218 14 A C 1.600 179.245 177.584 0.102 0.000 1.157 14 A CA 1.122 53.150 52.037 -0.015 0.000 0.670 14 A CB -0.565 18.421 19.000 -0.024 0.000 0.804 14 A HN 0.548 nan 8.150 nan 0.000 0.453 15 H N -1.768 117.308 119.070 0.010 0.000 2.326 15 H HA -0.048 4.532 4.556 0.041 0.000 0.301 15 H C 1.916 177.267 175.328 0.038 0.000 1.081 15 H CA 1.115 57.182 56.048 0.032 0.000 1.334 15 H CB 0.107 29.861 29.762 -0.014 0.000 1.385 15 H HN 0.277 nan 8.280 nan 0.000 0.504 16 V N 1.137 121.147 119.914 0.161 0.000 3.141 16 V HA -0.119 4.027 4.120 0.044 0.000 0.265 16 V C 1.632 177.769 176.094 0.071 0.000 1.126 16 V CA 1.983 64.343 62.300 0.100 0.000 1.141 16 V CB -0.213 31.653 31.823 0.071 0.000 0.743 16 V HN 0.624 nan 8.190 nan 0.000 0.492 17 T N -3.826 110.769 114.554 0.068 0.000 3.200 17 T HA 0.369 4.745 4.350 0.044 0.000 0.284 17 T C 1.251 175.985 174.700 0.058 0.000 1.009 17 T CA 0.391 62.521 62.100 0.051 0.000 0.907 17 T CB 0.542 69.431 68.868 0.035 0.000 1.120 17 T HN 0.731 nan 8.240 nan 0.000 0.534 18 G N 1.972 110.821 108.800 0.082 0.000 2.258 18 G HA2 -0.315 3.671 3.960 0.044 0.000 0.274 18 G HA3 -0.315 3.671 3.960 0.044 0.000 0.274 18 G C 0.550 175.500 174.900 0.083 0.000 1.021 18 G CA 0.682 45.836 45.100 0.089 0.000 0.798 18 G HN 0.616 nan 8.290 nan 0.000 0.507 19 Q N -0.726 119.119 119.800 0.075 0.000 2.384 19 Q HA 0.472 4.838 4.340 0.044 0.000 0.207 19 Q C 1.573 177.605 176.000 0.052 0.000 0.904 19 Q CA 0.469 56.303 55.803 0.051 0.000 0.933 19 Q CB 0.606 29.361 28.738 0.028 0.000 1.077 19 Q HN 0.790 nan 8.270 nan 0.000 0.522 20 A N 1.654 124.527 122.820 0.088 0.000 2.409 20 A HA 0.329 4.675 4.320 0.044 0.000 0.262 20 A C -0.411 177.170 177.584 -0.006 0.000 1.113 20 A CA -0.207 51.840 52.037 0.016 0.000 0.790 20 A CB 0.232 19.274 19.000 0.070 0.000 1.046 20 A HN 0.175 nan 8.150 nan 0.000 0.496 21 R N 1.528 121.975 120.500 -0.088 0.000 2.312 21 R HA 0.526 4.892 4.340 0.044 0.000 0.311 21 R C -1.237 174.976 176.300 -0.145 0.000 1.004 21 R CA -0.202 55.886 56.100 -0.021 0.000 0.902 21 R CB 0.914 31.200 30.300 -0.024 0.000 1.073 21 R HN 0.744 nan 8.270 nan 0.000 0.457 22 Y N 0.690 120.984 120.300 -0.010 0.000 2.593 22 Y HA 0.187 4.764 4.550 0.045 0.000 0.330 22 Y C 1.474 177.354 175.900 -0.034 0.000 1.223 22 Y CA -0.850 57.238 58.100 -0.019 0.000 1.350 22 Y CB 0.494 38.937 38.460 -0.029 0.000 1.499 22 Y HN 0.428 nan 8.280 nan 0.000 0.554 23 L N 0.441 121.743 121.223 0.133 0.000 2.012 23 L HA -0.215 4.151 4.340 0.044 0.000 0.210 23 L C 1.602 178.477 176.870 0.009 0.000 1.073 23 L CA 2.153 57.014 54.840 0.036 0.000 0.748 23 L CB -0.277 41.792 42.059 0.016 0.000 0.891 23 L HN 0.754 nan 8.230 nan 0.000 0.431 24 D N -0.543 119.867 120.400 0.015 0.000 2.350 24 D HA -0.163 4.503 4.640 0.044 0.000 0.216 24 D C 1.393 177.697 176.300 0.007 0.000 0.968 24 D CA 0.884 54.880 54.000 -0.008 0.000 0.894 24 D CB -0.018 40.763 40.800 -0.032 0.000 0.909 24 D HN 0.503 nan 8.370 nan 0.000 0.520 25 D N -0.480 119.941 120.400 0.034 0.000 2.333 25 D HA -0.008 4.659 4.640 0.044 0.000 0.208 25 D C 0.686 176.985 176.300 -0.002 0.000 0.984 25 D CA 0.016 54.035 54.000 0.031 0.000 0.873 25 D CB 0.082 40.925 40.800 0.071 0.000 0.935 25 D HN 0.294 nan 8.370 nan 0.000 0.521 26 L N 2.673 123.877 121.223 -0.032 0.000 2.525 26 L HA 0.105 4.472 4.340 0.044 0.000 0.278 26 L C -1.913 174.918 176.870 -0.065 0.000 1.218 26 L CA -1.207 53.587 54.840 -0.077 0.000 0.878 26 L CB -0.501 41.462 42.059 -0.161 0.000 1.127 26 L HN -0.162 nan 8.230 nan 0.000 0.492 27 P HA 0.267 nan 4.420 nan 0.000 0.278 27 P C -1.022 176.246 177.300 -0.053 0.000 1.238 27 P CA -0.612 62.464 63.100 -0.040 0.000 0.794 27 P CB 1.027 32.706 31.700 -0.034 0.000 0.955 28 C N 0.492 119.771 119.300 -0.035 0.000 3.288 28 C HA 0.712 5.198 4.460 0.044 0.000 0.318 28 C C -2.764 172.214 174.990 -0.019 0.000 1.356 28 C CA -2.307 56.687 59.018 -0.041 0.000 1.359 28 C CB 0.249 27.953 27.740 -0.060 0.000 1.688 28 C HN 0.361 nan 8.230 nan 0.000 0.467 29 P HA 0.322 nan 4.420 nan 0.000 0.268 29 P C 0.822 178.126 177.300 0.006 0.000 1.208 29 P CA 0.349 63.446 63.100 -0.006 0.000 0.777 29 P CB 0.498 32.194 31.700 -0.007 0.000 0.875 30 A N 2.917 125.746 122.820 0.015 0.000 1.978 30 A HA -0.211 4.135 4.320 0.044 0.000 0.220 30 A C 1.638 179.244 177.584 0.036 0.000 1.170 30 A CA 1.877 53.931 52.037 0.029 0.000 0.636 30 A CB -1.086 17.929 19.000 0.026 0.000 0.810 30 A HN 0.748 nan 8.150 nan 0.000 0.448 31 N N -0.127 118.588 118.700 0.024 0.000 2.461 31 N HA -0.017 4.749 4.740 0.044 0.000 0.188 31 N C -0.111 175.410 175.510 0.019 0.000 1.134 31 N CA 0.760 53.826 53.050 0.028 0.000 0.878 31 N CB -1.145 37.355 38.487 0.022 0.000 0.972 31 N HN 0.191 nan 8.380 nan 0.000 0.456 32 T N 1.901 116.451 114.554 -0.006 0.000 2.946 32 T HA 0.087 4.463 4.350 0.044 0.000 0.312 32 T C 0.512 175.164 174.700 -0.081 0.000 1.066 32 T CA 0.146 62.202 62.100 -0.073 0.000 1.138 32 T CB 0.585 69.376 68.868 -0.129 0.000 1.014 32 T HN 0.128 nan 8.240 nan 0.000 0.544 33 L N 2.783 123.941 121.223 -0.109 0.000 2.358 33 L HA 0.544 4.910 4.340 0.044 0.000 0.268 33 L C 0.389 177.124 176.870 -0.224 0.000 1.032 33 L CA -1.088 53.730 54.840 -0.037 0.000 0.805 33 L CB 1.016 43.099 42.059 0.039 0.000 1.253 33 L HN 0.606 nan 8.230 nan 0.000 0.452 34 H N 1.658 120.766 119.070 0.063 0.000 2.600 34 H HA 0.595 5.180 4.556 0.049 0.000 0.357 34 H C -0.963 174.412 175.328 0.077 0.000 1.106 34 H CA -0.536 55.557 56.048 0.075 0.000 1.193 34 H CB 2.465 32.293 29.762 0.109 0.000 1.594 34 H HN 0.321 nan 8.280 nan 0.000 0.526 35 L N 1.055 122.375 121.223 0.161 0.000 2.286 35 L HA 0.893 5.259 4.340 0.044 0.000 0.265 35 L C -0.154 176.731 176.870 0.025 0.000 1.012 35 L CA -1.145 53.738 54.840 0.071 0.000 0.818 35 L CB 1.970 44.010 42.059 -0.032 0.000 1.337 35 L HN 0.624 nan 8.230 nan 0.000 0.438 36 A N 0.408 123.204 122.820 -0.039 0.000 2.577 36 A HA 0.670 5.016 4.320 0.044 0.000 0.297 36 A C -1.405 176.117 177.584 -0.103 0.000 1.060 36 A CA -0.477 51.510 52.037 -0.084 0.000 0.697 36 A CB 0.933 19.916 19.000 -0.029 0.000 1.281 36 A HN 0.516 nan 8.150 nan 0.000 0.402 37 F N 0.948 120.882 119.950 -0.027 0.000 2.382 37 F HA 0.511 5.065 4.527 0.046 0.000 0.331 37 F C 1.392 176.963 175.800 -0.383 0.000 1.121 37 F CA 0.079 57.969 58.000 -0.183 0.000 1.183 37 F CB 1.570 40.513 39.000 -0.095 0.000 1.207 37 F HN 0.701 nan 8.300 nan 0.000 0.555 38 G N 2.920 111.345 108.800 -0.626 0.000 2.379 38 G HA2 0.632 4.618 3.960 0.044 0.000 0.327 38 G HA3 0.632 4.618 3.960 0.044 0.000 0.327 38 G C -1.180 173.470 174.900 -0.417 0.000 1.145 38 G CA -0.671 43.988 45.100 -0.736 0.000 0.905 38 G HN 0.539 nan 8.290 nan 0.000 0.466 39 L N 1.034 122.152 121.223 -0.174 0.000 2.313 39 L HA 0.653 5.019 4.340 0.044 0.000 0.268 39 L C 0.816 177.637 176.870 -0.083 0.000 1.010 39 L CA -1.158 53.586 54.840 -0.160 0.000 0.814 39 L CB 1.719 43.673 42.059 -0.175 0.000 1.304 39 L HN 0.528 nan 8.230 nan 0.000 0.441 40 S N -0.364 115.247 115.700 -0.149 0.000 2.572 40 S HA 0.161 4.658 4.470 0.044 0.000 0.279 40 S C 0.731 175.256 174.600 -0.125 0.000 1.341 40 S CA 0.063 58.231 58.200 -0.054 0.000 1.043 40 S CB 0.575 63.650 63.200 -0.208 0.000 0.887 40 S HN 0.789 nan 8.310 nan 0.000 0.516 41 T N 0.854 115.328 114.554 -0.134 0.000 3.174 41 T HA 0.386 4.762 4.350 0.044 0.000 0.269 41 T C -0.246 174.246 174.700 -0.346 0.000 1.017 41 T CA -0.496 61.477 62.100 -0.213 0.000 0.899 41 T CB -0.036 68.739 68.868 -0.156 0.000 1.077 41 T HN 0.528 nan 8.240 nan 0.000 0.552 42 E N 0.680 120.618 120.200 -0.438 0.000 2.199 42 E HA 0.621 4.997 4.350 0.044 0.000 0.269 42 E C 0.698 177.148 176.600 -0.250 0.000 0.899 42 E CA -0.527 55.628 56.400 -0.408 0.000 0.772 42 E CB 2.018 31.361 29.700 -0.595 0.000 1.155 42 E HN 0.177 nan 8.360 nan 0.000 0.408 43 A N 2.350 125.068 122.820 -0.170 0.000 2.019 43 A HA -0.078 4.268 4.320 0.044 0.000 0.219 43 A C 1.012 178.539 177.584 -0.095 0.000 1.164 43 A CA 1.383 53.362 52.037 -0.097 0.000 0.644 43 A CB 0.218 19.181 19.000 -0.060 0.000 0.805 43 A HN 0.326 nan 8.150 nan 0.000 0.449 44 S N -2.195 113.429 115.700 -0.127 0.000 2.428 44 S HA 0.560 5.056 4.470 0.044 0.000 0.269 44 S C -0.789 173.739 174.600 -0.121 0.000 1.026 44 S CA 0.240 58.362 58.200 -0.131 0.000 1.019 44 S CB 0.148 63.299 63.200 -0.081 0.000 1.191 44 S HN 1.678 nan 8.310 nan 0.000 0.429 45 A N 2.874 125.622 122.820 -0.121 0.000 2.564 45 A HA 0.953 5.299 4.320 0.044 0.000 0.291 45 A C -0.890 176.682 177.584 -0.020 0.000 1.102 45 A CA -0.216 51.799 52.037 -0.038 0.000 0.660 45 A CB 0.534 19.553 19.000 0.032 0.000 1.283 45 A HN 1.728 nan 8.150 nan 0.000 0.430 46 A N 0.168 122.998 122.820 0.016 0.000 2.312 46 A HA 0.727 5.073 4.320 0.044 0.000 0.326 46 A C -0.451 177.140 177.584 0.012 0.000 1.172 46 A CA -0.424 51.612 52.037 -0.001 0.000 0.821 46 A CB 0.216 19.213 19.000 -0.005 0.000 1.166 46 A HN 0.724 nan 8.150 nan 0.000 0.493 47 I N 2.257 122.808 120.570 -0.032 0.000 2.325 47 I HA 0.173 4.369 4.170 0.044 0.000 0.291 47 I C 0.861 176.919 176.117 -0.098 0.000 1.019 47 I CA -0.063 61.167 61.300 -0.116 0.000 1.302 47 I CB 1.467 39.386 38.000 -0.136 0.000 1.401 47 I HN 0.764 nan 8.210 nan 0.000 0.485 48 T N 3.988 118.471 114.554 -0.118 0.000 3.023 48 T HA 0.207 4.583 4.350 0.044 0.000 0.249 48 T C 0.523 175.172 174.700 -0.085 0.000 1.050 48 T CA 0.137 62.192 62.100 -0.075 0.000 1.088 48 T CB 0.493 69.332 68.868 -0.049 0.000 0.946 48 T HN 0.796 nan 8.240 nan 0.000 0.480 49 G N 0.659 109.382 108.800 -0.128 0.000 2.706 49 G HA2 0.577 4.563 3.960 0.044 0.000 0.297 49 G HA3 0.577 4.563 3.960 0.044 0.000 0.297 49 G C -2.129 172.682 174.900 -0.149 0.000 1.403 49 G CA -0.367 44.666 45.100 -0.112 0.000 0.954 49 G HN 0.103 nan 8.290 nan 0.000 0.500 50 L N 1.966 123.112 121.223 -0.127 0.000 2.457 50 L HA 0.414 4.781 4.340 0.044 0.000 0.259 50 L C -0.915 175.863 176.870 -0.154 0.000 1.377 50 L CA -0.932 53.817 54.840 -0.152 0.000 0.887 50 L CB 1.112 43.091 42.059 -0.134 0.000 1.085 50 L HN 0.562 nan 8.230 nan 0.000 0.509 51 D N 2.169 122.483 120.400 -0.143 0.000 2.325 51 D HA 0.229 4.895 4.640 0.044 0.000 0.251 51 D C 0.680 176.870 176.300 -0.183 0.000 1.196 51 D CA 0.147 54.068 54.000 -0.132 0.000 0.866 51 D CB 0.935 41.678 40.800 -0.095 0.000 1.101 51 D HN 0.511 nan 8.370 nan 0.000 0.476 52 L N 3.120 124.221 121.223 -0.203 0.000 2.693 52 L HA 0.156 4.522 4.340 0.044 0.000 0.235 52 L C 1.738 178.506 176.870 -0.169 0.000 1.127 52 L CA -0.173 54.507 54.840 -0.267 0.000 0.914 52 L CB 0.196 42.060 42.059 -0.324 0.000 1.193 52 L HN 0.351 nan 8.230 nan 0.000 0.502 53 E N 1.644 121.772 120.200 -0.119 0.000 2.070 53 E HA -0.195 4.181 4.350 0.044 0.000 0.197 53 E C -0.731 175.831 176.600 -0.064 0.000 1.004 53 E CA 1.906 58.257 56.400 -0.081 0.000 0.805 53 E CB -0.771 28.891 29.700 -0.064 0.000 0.744 53 E HN 0.251 nan 8.360 nan 0.000 0.451 54 P HA -0.147 nan 4.420 nan 0.000 0.218 54 P C 1.217 178.500 177.300 -0.028 0.000 1.148 54 P CA 1.062 64.141 63.100 -0.036 0.000 0.822 54 P CB 0.093 31.775 31.700 -0.031 0.000 0.784 55 V N 0.237 120.120 119.914 -0.052 0.000 2.244 55 V HA -0.224 3.922 4.120 0.044 0.000 0.244 55 V C 2.452 178.539 176.094 -0.011 0.000 1.042 55 V CA 1.731 64.019 62.300 -0.021 0.000 1.006 55 V CB -1.047 30.738 31.823 -0.064 0.000 0.641 55 V HN 0.053 nan 8.190 nan 0.000 0.446 56 R N 0.206 120.681 120.500 -0.042 0.000 2.117 56 R HA -0.245 4.121 4.340 0.044 0.000 0.243 56 R C 2.141 178.432 176.300 -0.016 0.000 1.143 56 R CA 1.872 57.953 56.100 -0.032 0.000 0.968 56 R CB -0.462 29.807 30.300 -0.053 0.000 0.863 56 R HN 0.609 nan 8.270 nan 0.000 0.444 57 E N 0.723 120.913 120.200 -0.017 0.000 2.338 57 E HA -0.038 4.338 4.350 0.044 0.000 0.197 57 E C 0.561 177.162 176.600 0.003 0.000 1.007 57 E CA 0.128 56.523 56.400 -0.009 0.000 0.849 57 E CB 0.160 29.853 29.700 -0.012 0.000 0.774 57 E HN 0.071 nan 8.360 nan 0.000 0.506 58 S N 1.138 116.844 115.700 0.010 0.000 2.585 58 S HA 0.123 4.619 4.470 0.044 0.000 0.273 58 S C -2.410 172.203 174.600 0.021 0.000 1.339 58 S CA -1.754 56.458 58.200 0.019 0.000 1.028 58 S CB 0.513 63.730 63.200 0.029 0.000 0.906 58 S HN -0.172 nan 8.310 nan 0.000 0.528 59 P HA 0.170 nan 4.420 nan 0.000 0.265 59 P C 0.785 178.102 177.300 0.028 0.000 1.187 59 P CA 1.017 64.129 63.100 0.021 0.000 0.766 59 P CB -0.056 31.655 31.700 0.017 0.000 0.820 60 G N 1.076 109.893 108.800 0.029 0.000 2.187 60 G HA2 -0.230 3.756 3.960 0.044 0.000 0.261 60 G HA3 -0.230 3.756 3.960 0.044 0.000 0.261 60 G C 0.137 175.066 174.900 0.049 0.000 1.000 60 G CA 0.053 45.176 45.100 0.039 0.000 0.718 60 G HN 0.532 nan 8.290 nan 0.000 0.519 61 V N 0.922 120.861 119.914 0.043 0.000 2.607 61 V HA 0.487 4.633 4.120 0.044 0.000 0.289 61 V C 1.438 177.557 176.094 0.043 0.000 1.053 61 V CA -0.291 62.040 62.300 0.052 0.000 0.996 61 V CB 1.607 33.458 31.823 0.047 0.000 0.995 61 V HN 0.161 nan 8.190 nan 0.000 0.476 62 I N 1.770 122.373 120.570 0.055 0.000 4.197 62 I HA 0.412 4.608 4.170 0.044 0.000 0.307 62 I C 0.719 176.846 176.117 0.017 0.000 1.236 62 I CA 0.700 62.026 61.300 0.043 0.000 1.321 62 I CB 0.625 38.664 38.000 0.066 0.000 1.309 62 I HN 0.673 nan 8.210 nan 0.000 0.450 63 A N 0.699 123.532 122.820 0.023 0.000 2.587 63 A HA 0.757 5.103 4.320 0.044 0.000 0.293 63 A C -1.367 176.125 177.584 -0.155 0.000 1.087 63 A CA -0.357 51.606 52.037 -0.124 0.000 0.692 63 A CB 2.288 21.227 19.000 -0.102 0.000 1.291 63 A HN -0.155 nan 8.150 nan 0.000 0.407 64 V N 0.721 120.380 119.914 -0.424 0.000 2.760 64 V HA 0.691 4.837 4.120 0.044 0.000 0.309 64 V C -1.390 174.453 176.094 -0.418 0.000 1.077 64 V CA -0.308 61.882 62.300 -0.184 0.000 0.910 64 V CB 1.661 33.434 31.823 -0.083 0.000 1.008 64 V HN 0.780 nan 8.190 nan 0.000 0.424 65 F N 1.091 121.161 119.950 0.200 0.000 2.611 65 F HA 0.835 5.389 4.527 0.045 0.000 0.324 65 F C 0.420 176.344 175.800 0.207 0.000 1.061 65 F CA -0.510 57.592 58.000 0.169 0.000 0.954 65 F CB 2.657 41.758 39.000 0.169 0.000 1.301 65 F HN 0.359 nan 8.300 nan 0.000 0.482 66 T N -0.127 114.632 114.554 0.342 0.000 2.883 66 T HA 0.503 4.879 4.350 0.044 0.000 0.301 66 T C 0.613 175.432 174.700 0.198 0.000 1.158 66 T CA -0.027 62.215 62.100 0.236 0.000 1.007 66 T CB 1.806 70.751 68.868 0.129 0.000 1.186 66 T HN 0.701 nan 8.240 nan 0.000 0.499 67 A N 1.454 124.365 122.820 0.152 0.000 1.915 67 A HA -0.092 4.254 4.320 0.044 0.000 0.220 67 A C 2.458 180.104 177.584 0.103 0.000 1.198 67 A CA 2.729 54.837 52.037 0.119 0.000 0.647 67 A CB -1.247 17.810 19.000 0.095 0.000 0.825 67 A HN 1.057 nan 8.150 nan 0.000 0.456 68 A N -0.252 122.619 122.820 0.086 0.000 2.024 68 A HA -0.215 4.131 4.320 0.044 0.000 0.220 68 A C 1.644 179.274 177.584 0.078 0.000 1.164 68 A CA 1.820 53.895 52.037 0.064 0.000 0.643 68 A CB -0.571 18.455 19.000 0.044 0.000 0.806 68 A HN 0.619 nan 8.150 nan 0.000 0.451 69 D N -0.226 120.249 120.400 0.126 0.000 2.277 69 D HA 0.041 4.707 4.640 0.044 0.000 0.208 69 D C 0.516 176.912 176.300 0.159 0.000 0.962 69 D CA 0.157 54.256 54.000 0.166 0.000 0.865 69 D CB -0.203 40.760 40.800 0.271 0.000 0.939 69 D HN 0.407 nan 8.370 nan 0.000 0.510 70 L N 2.335 123.637 121.223 0.132 0.000 2.540 70 L HA -0.010 4.356 4.340 0.044 0.000 0.276 70 L C -1.082 175.805 176.870 0.029 0.000 1.212 70 L CA -0.896 53.997 54.840 0.089 0.000 0.893 70 L CB 0.202 42.310 42.059 0.082 0.000 1.138 70 L HN -0.152 nan 8.230 nan 0.000 0.491 71 P HA 0.007 nan 4.420 nan 0.000 0.231 71 P C -0.059 176.956 177.300 -0.475 0.000 1.168 71 P CA 1.234 64.228 63.100 -0.176 0.000 0.779 71 P CB 0.413 32.060 31.700 -0.088 0.000 0.844 72 H N -2.829 116.277 119.070 0.059 0.000 4.953 72 H HA 0.231 4.813 4.556 0.043 0.000 0.298 72 H C -0.379 174.982 175.328 0.055 0.000 1.255 72 H CA -0.663 55.419 56.048 0.058 0.000 0.289 72 H CB -0.575 29.228 29.762 0.068 0.000 1.453 72 H HN -0.291 nan 8.280 nan 0.000 0.517 73 D N 0.906 121.442 120.400 0.227 0.000 2.400 73 D HA 0.107 4.773 4.640 0.044 0.000 0.238 73 D C -0.176 176.186 176.300 0.103 0.000 1.157 73 D CA 0.417 54.492 54.000 0.125 0.000 0.889 73 D CB 0.338 41.200 40.800 0.103 0.000 1.199 73 D HN 0.312 nan 8.370 nan 0.000 0.436 74 N N 1.636 120.379 118.700 0.071 0.000 2.790 74 N HA 0.230 4.996 4.740 0.044 0.000 0.256 74 N C -2.128 173.405 175.510 0.038 0.000 1.409 74 N CA -0.582 52.504 53.050 0.060 0.000 0.799 74 N CB 0.235 38.764 38.487 0.069 0.000 1.170 74 N HN 0.280 nan 8.380 nan 0.000 0.507 75 D N 0.736 121.143 120.400 0.012 0.000 2.688 75 D HA 0.422 5.089 4.640 0.044 0.000 0.210 75 D C -0.877 175.381 176.300 -0.070 0.000 1.333 75 D CA -0.457 53.530 54.000 -0.021 0.000 0.920 75 D CB 1.195 41.991 40.800 -0.006 0.000 1.554 75 D HN 0.222 nan 8.370 nan 0.000 0.579 76 A N 2.821 125.547 122.820 -0.156 0.000 2.503 76 A HA 0.357 4.704 4.320 0.044 0.000 0.263 76 A C 0.761 178.270 177.584 -0.125 0.000 1.258 76 A CA -0.079 51.825 52.037 -0.222 0.000 0.936 76 A CB 0.129 18.730 19.000 -0.664 0.000 1.070 76 A HN 0.404 nan 8.150 nan 0.000 0.522 77 S N 1.456 117.095 115.700 -0.102 0.000 2.564 77 S HA 0.295 4.791 4.470 0.044 0.000 0.278 77 S C -1.447 173.107 174.600 -0.078 0.000 1.333 77 S CA -0.821 57.325 58.200 -0.090 0.000 1.048 77 S CB 0.731 63.858 63.200 -0.120 0.000 0.900 77 S HN 0.282 nan 8.310 nan 0.000 0.505 78 P HA 0.275 nan 4.420 nan 0.000 0.255 78 P C -0.339 176.935 177.300 -0.045 0.000 1.301 78 P CA 0.094 63.169 63.100 -0.041 0.000 0.817 78 P CB -0.184 31.530 31.700 0.023 0.000 1.259 79 A N 0.173 122.952 122.820 -0.068 0.000 2.569 79 A HA 0.633 4.980 4.320 0.044 0.000 0.290 79 A C -2.107 175.444 177.584 -0.054 0.000 1.136 79 A CA -1.440 50.563 52.037 -0.057 0.000 0.710 79 A CB 0.455 19.409 19.000 -0.078 0.000 1.303 79 A HN -0.274 nan 8.150 nan 0.000 0.413 80 P HA -0.092 nan 4.420 nan 0.000 0.216 80 P C 0.603 177.885 177.300 -0.030 0.000 1.150 80 P CA 1.753 64.841 63.100 -0.019 0.000 0.843 80 P CB -0.063 31.633 31.700 -0.006 0.000 0.787 81 S N -0.741 114.931 115.700 -0.047 0.000 2.545 81 S HA 0.402 4.898 4.470 0.044 0.000 0.275 81 S C -2.512 172.049 174.600 -0.066 0.000 1.299 81 S CA -1.509 56.666 58.200 -0.042 0.000 1.048 81 S CB 0.207 63.392 63.200 -0.025 0.000 0.938 81 S HN -0.068 nan 8.310 nan 0.000 0.496 82 P HA 0.340 nan 4.420 nan 0.000 0.274 82 P C -0.773 176.478 177.300 -0.081 0.000 1.237 82 P CA -0.439 62.633 63.100 -0.046 0.000 0.793 82 P CB 0.405 32.101 31.700 -0.006 0.000 0.977 83 E N 1.802 121.953 120.200 -0.081 0.000 2.361 83 E HA 0.250 4.626 4.350 0.044 0.000 0.270 83 E C -2.717 173.903 176.600 0.033 0.000 0.911 83 E CA -2.347 53.985 56.400 -0.113 0.000 0.818 83 E CB 1.388 30.918 29.700 -0.283 0.000 1.332 83 E HN 0.231 nan 8.360 nan 0.000 0.402 84 P HA -0.035 nan 4.420 nan 0.000 0.269 84 P C 0.628 178.003 177.300 0.125 0.000 1.209 84 P CA -0.212 62.972 63.100 0.140 0.000 0.776 84 P CB 1.666 33.480 31.700 0.190 0.000 0.876 85 V N 2.536 122.474 119.914 0.040 0.000 2.426 85 V HA -0.042 4.104 4.120 0.044 0.000 0.242 85 V C 1.250 177.353 176.094 0.016 0.000 1.036 85 V CA 1.348 63.650 62.300 0.003 0.000 1.044 85 V CB -0.392 31.442 31.823 0.018 0.000 0.688 85 V HN 0.388 nan 8.190 nan 0.000 0.462 86 L N 0.333 121.589 121.223 0.055 0.000 2.322 86 L HA 0.671 5.037 4.340 0.044 0.000 0.279 86 L C 0.297 177.214 176.870 0.077 0.000 1.036 86 L CA -0.640 54.228 54.840 0.048 0.000 0.807 86 L CB 1.254 43.379 42.059 0.110 0.000 1.226 86 L HN 0.142 nan 8.230 nan 0.000 0.433 87 A N 1.263 124.115 122.820 0.052 0.000 2.531 87 A HA 0.331 4.677 4.320 0.044 0.000 0.236 87 A C 0.546 178.181 177.584 0.085 0.000 1.062 87 A CA 0.113 52.192 52.037 0.071 0.000 0.760 87 A CB -0.117 18.893 19.000 0.017 0.000 0.995 87 A HN 0.754 nan 8.150 nan 0.000 0.501 88 T N 0.207 114.825 114.554 0.107 0.000 3.253 88 T HA 0.536 4.912 4.350 0.044 0.000 0.391 88 T C 1.024 175.771 174.700 0.079 0.000 1.527 88 T CA 0.427 62.584 62.100 0.094 0.000 1.268 88 T CB 0.095 69.029 68.868 0.111 0.000 1.126 88 T HN 2.423 nan 8.240 nan 0.000 0.620 89 G N 2.739 111.567 108.800 0.046 0.000 2.363 89 G HA2 -0.227 3.759 3.960 0.044 0.000 0.238 89 G HA3 -0.227 3.759 3.960 0.044 0.000 0.238 89 G C -0.132 174.773 174.900 0.008 0.000 1.062 89 G CA 0.398 45.513 45.100 0.024 0.000 0.629 89 G HN 1.024 nan 8.290 nan 0.000 0.514 90 E N -0.988 119.223 120.200 0.019 0.000 2.458 90 E HA 0.721 5.097 4.350 0.044 0.000 0.278 90 E C -0.558 176.003 176.600 -0.065 0.000 1.004 90 E CA -0.782 55.595 56.400 -0.038 0.000 0.823 90 E CB 2.419 32.071 29.700 -0.080 0.000 1.396 90 E HN 1.107 nan 8.360 nan 0.000 0.463 91 V N -2.286 117.524 119.914 -0.174 0.000 2.962 91 V HA 0.499 4.645 4.120 0.044 0.000 0.313 91 V C -0.359 175.515 176.094 -0.366 0.000 1.099 91 V CA -0.642 61.546 62.300 -0.187 0.000 0.971 91 V CB 1.734 33.473 31.823 -0.140 0.000 1.028 91 V HN 0.922 nan 8.190 nan 0.000 0.430 92 H N 2.558 121.454 119.070 -0.291 0.000 3.078 92 H HA 0.417 4.999 4.556 0.044 0.000 0.263 92 H C -0.484 174.790 175.328 -0.089 0.000 1.177 92 H CA 0.504 56.472 56.048 -0.134 0.000 1.128 92 H CB 1.129 30.915 29.762 0.040 0.000 1.623 92 H HN 0.770 nan 8.280 nan 0.000 0.592 93 F N -1.742 118.006 119.950 -0.337 0.000 2.741 93 F HA 0.475 5.028 4.527 0.042 0.000 0.311 93 F C -1.785 173.896 175.800 -0.198 0.000 1.149 93 F CA -1.406 56.445 58.000 -0.248 0.000 0.930 93 F CB 0.827 39.659 39.000 -0.280 0.000 1.312 93 F HN -0.346 nan 8.300 nan 0.000 0.450 94 V N 2.560 122.443 119.914 -0.052 0.000 2.427 94 V HA 0.535 4.681 4.120 0.044 0.000 0.268 94 V C 0.757 176.722 176.094 -0.215 0.000 1.046 94 V CA 1.056 63.239 62.300 -0.195 0.000 0.970 94 V CB -0.012 31.776 31.823 -0.058 0.000 1.001 94 V HN 1.483 nan 8.190 nan 0.000 0.476 95 G N 3.975 112.490 108.800 -0.476 0.000 2.480 95 G HA2 -0.176 3.810 3.960 0.044 0.000 0.193 95 G HA3 -0.176 3.810 3.960 0.044 0.000 0.193 95 G C 0.331 174.788 174.900 -0.739 0.000 1.004 95 G CA 0.062 44.939 45.100 -0.372 0.000 0.696 95 G HN 0.714 nan 8.290 nan 0.000 0.478 96 Q N 2.254 121.071 119.800 -1.638 0.000 2.274 96 Q HA 0.413 4.779 4.340 0.044 0.000 0.280 96 Q C -2.316 173.369 176.000 -0.526 0.000 1.047 96 Q CA -1.128 53.992 55.803 -1.138 0.000 0.907 96 Q CB 0.636 28.639 28.738 -1.226 0.000 1.171 96 Q HN 0.225 nan 8.270 nan 0.000 0.381 97 P HA -0.029 nan 4.420 nan 0.000 0.268 97 P C -0.469 176.661 177.300 -0.284 0.000 1.204 97 P CA 0.556 63.388 63.100 -0.446 0.000 0.768 97 P CB 0.640 31.786 31.700 -0.924 0.000 0.842 98 I N 2.095 122.551 120.570 -0.191 0.000 3.443 98 I HA 0.162 4.358 4.170 0.044 0.000 0.277 98 I C 0.658 176.882 176.117 0.178 0.000 1.169 98 I CA 0.450 61.760 61.300 0.017 0.000 1.419 98 I CB 0.136 38.217 38.000 0.136 0.000 1.331 98 I HN 0.292 nan 8.210 nan 0.000 0.458 99 F N 0.064 120.069 119.950 0.092 0.000 2.824 99 F HA 0.788 5.341 4.527 0.043 0.000 0.330 99 F C -1.306 174.684 175.800 0.317 0.000 1.175 99 F CA -1.436 56.669 58.000 0.175 0.000 0.974 99 F CB 1.494 40.569 39.000 0.125 0.000 1.430 99 F HN -0.275 nan 8.300 nan 0.000 0.507 100 L N 1.926 123.468 121.223 0.532 0.000 2.476 100 L HA 0.766 5.132 4.340 0.044 0.000 0.269 100 L C -1.773 175.390 176.870 0.488 0.000 0.965 100 L CA -0.568 54.539 54.840 0.445 0.000 0.845 100 L CB 1.917 44.260 42.059 0.474 0.000 1.259 100 L HN 0.614 nan 8.230 nan 0.000 0.403 101 V N 3.644 123.749 119.914 0.318 0.000 2.547 101 V HA 0.922 5.068 4.120 0.044 0.000 0.299 101 V C 0.182 176.412 176.094 0.227 0.000 1.040 101 V CA -0.183 62.292 62.300 0.291 0.000 0.913 101 V CB 1.512 33.475 31.823 0.234 0.000 0.992 101 V HN 0.965 nan 8.190 nan 0.000 0.449 102 A N 3.225 126.183 122.820 0.229 0.000 2.363 102 A HA 0.922 5.268 4.320 0.044 0.000 0.296 102 A C -0.148 177.529 177.584 0.156 0.000 1.237 102 A CA -0.011 52.145 52.037 0.200 0.000 0.773 102 A CB 1.048 20.206 19.000 0.264 0.000 1.153 102 A HN 1.296 nan 8.150 nan 0.000 0.473 103 A N 1.211 124.121 122.820 0.150 0.000 2.414 103 A HA 0.815 5.161 4.320 0.044 0.000 0.278 103 A C 0.982 178.657 177.584 0.152 0.000 1.228 103 A CA 0.279 52.391 52.037 0.126 0.000 0.857 103 A CB 0.298 19.359 19.000 0.101 0.000 1.389 103 A HN 1.414 nan 8.150 nan 0.000 0.452 104 T N -1.514 113.113 114.554 0.122 0.000 3.219 104 T HA 0.396 4.772 4.350 0.044 0.000 0.249 104 T C 0.303 175.094 174.700 0.152 0.000 1.099 104 T CA 0.643 62.832 62.100 0.149 0.000 0.988 104 T CB -1.073 67.852 68.868 0.096 0.000 0.999 104 T HN 1.815 nan 8.240 nan 0.000 0.550 105 S N -0.935 114.819 115.700 0.091 0.000 2.556 105 S HA 0.273 4.769 4.470 0.044 0.000 0.280 105 S C 0.349 174.897 174.600 -0.086 0.000 1.141 105 S CA -0.813 57.312 58.200 -0.126 0.000 0.883 105 S CB 0.925 64.070 63.200 -0.092 0.000 1.103 105 S HN 0.249 nan 8.310 nan 0.000 0.453 106 H N 2.529 121.361 119.070 -0.396 0.000 2.289 106 H HA -0.158 4.426 4.556 0.046 0.000 0.294 106 H C 1.889 177.187 175.328 -0.049 0.000 1.095 106 H CA 2.395 58.362 56.048 -0.134 0.000 1.256 106 H CB 0.013 29.688 29.762 -0.144 0.000 1.359 106 H HN 0.559 nan 8.280 nan 0.000 0.487 107 R N 0.282 120.757 120.500 -0.041 0.000 2.088 107 R HA -0.132 4.234 4.340 0.044 0.000 0.232 107 R C 2.627 178.892 176.300 -0.058 0.000 1.136 107 R CA 1.041 57.093 56.100 -0.080 0.000 0.926 107 R CB -1.084 29.200 30.300 -0.026 0.000 0.837 107 R HN 0.410 nan 8.270 nan 0.000 0.429 108 A N 1.463 124.272 122.820 -0.020 0.000 1.929 108 A HA -0.303 4.043 4.320 0.044 0.000 0.221 108 A C 2.447 180.039 177.584 0.013 0.000 1.211 108 A CA 2.732 54.772 52.037 0.005 0.000 0.657 108 A CB -0.940 18.073 19.000 0.022 0.000 0.827 108 A HN 0.500 nan 8.150 nan 0.000 0.462 109 A N -0.755 122.074 122.820 0.015 0.000 1.851 109 A HA -0.223 4.123 4.320 0.044 0.000 0.216 109 A C 2.258 179.836 177.584 -0.010 0.000 1.195 109 A CA 1.787 53.841 52.037 0.029 0.000 0.622 109 A CB -0.595 18.431 19.000 0.043 0.000 0.831 109 A HN 0.587 nan 8.150 nan 0.000 0.444 110 R N -0.753 119.690 120.500 -0.095 0.000 2.094 110 R HA -0.140 4.227 4.340 0.044 0.000 0.239 110 R C 2.121 178.409 176.300 -0.021 0.000 1.137 110 R CA 1.775 57.823 56.100 -0.087 0.000 0.943 110 R CB -0.671 29.533 30.300 -0.160 0.000 0.850 110 R HN 0.600 nan 8.270 nan 0.000 0.433 111 I N 0.665 121.225 120.570 -0.017 0.000 2.163 111 I HA -0.298 3.898 4.170 0.044 0.000 0.243 111 I C 2.617 178.758 176.117 0.041 0.000 1.085 111 I CA 1.487 62.793 61.300 0.010 0.000 1.347 111 I CB -0.398 37.608 38.000 0.009 0.000 1.044 111 I HN 0.215 nan 8.210 nan 0.000 0.408 112 A N 0.486 123.339 122.820 0.055 0.000 2.019 112 A HA -0.127 4.219 4.320 0.044 0.000 0.219 112 A C 2.481 180.158 177.584 0.156 0.000 1.164 112 A CA 1.575 53.669 52.037 0.094 0.000 0.644 112 A CB -0.761 18.301 19.000 0.103 0.000 0.805 112 A HN 0.454 nan 8.150 nan 0.000 0.449 113 A N -0.138 122.766 122.820 0.140 0.000 2.076 113 A HA -0.157 4.189 4.320 0.044 0.000 0.220 113 A C 2.113 179.822 177.584 0.209 0.000 1.160 113 A CA 1.452 53.601 52.037 0.186 0.000 0.653 113 A CB -0.401 18.620 19.000 0.035 0.000 0.801 113 A HN 0.566 nan 8.150 nan 0.000 0.455 114 R N -0.584 119.993 120.500 0.128 0.000 2.299 114 R HA 0.066 4.432 4.340 0.044 0.000 0.197 114 R C 1.049 177.417 176.300 0.113 0.000 0.971 114 R CA 0.668 56.833 56.100 0.108 0.000 1.030 114 R CB 0.009 30.345 30.300 0.060 0.000 0.932 114 R HN 0.425 nan 8.270 nan 0.000 0.477 115 K N 0.525 120.996 120.400 0.117 0.000 2.417 115 K HA 0.192 4.538 4.320 0.044 0.000 0.196 115 K C 0.305 176.931 176.600 0.043 0.000 1.023 115 K CA -0.195 56.131 56.287 0.066 0.000 1.122 115 K CB 0.810 33.336 32.500 0.043 0.000 0.850 115 K HN 0.057 nan 8.250 nan 0.000 0.521 116 A N 1.796 124.664 122.820 0.079 0.000 2.386 116 A HA 0.181 4.527 4.320 0.044 0.000 0.248 116 A C -0.162 177.413 177.584 -0.015 0.000 1.082 116 A CA -0.130 51.889 52.037 -0.030 0.000 0.789 116 A CB 0.304 19.255 19.000 -0.082 0.000 1.025 116 A HN 0.235 nan 8.150 nan 0.000 0.490 117 R N 1.208 121.670 120.500 -0.064 0.000 2.246 117 R HA 0.506 4.872 4.340 0.044 0.000 0.332 117 R C -1.171 175.082 176.300 -0.078 0.000 0.974 117 R CA -0.025 56.050 56.100 -0.043 0.000 0.837 117 R CB 0.827 31.102 30.300 -0.042 0.000 1.145 117 R HN 0.663 nan 8.270 nan 0.000 0.467 118 I N 2.056 122.585 120.570 -0.068 0.000 2.569 118 I HA 0.311 4.507 4.170 0.044 0.000 0.296 118 I C 0.332 176.326 176.117 -0.205 0.000 1.028 118 I CA -0.815 60.366 61.300 -0.199 0.000 1.082 118 I CB 2.452 40.270 38.000 -0.303 0.000 1.264 118 I HN 0.530 nan 8.210 nan 0.000 0.429 119 T N 1.547 115.947 114.554 -0.256 0.000 2.856 119 T HA 0.687 5.063 4.350 0.044 0.000 0.283 119 T C -0.912 173.675 174.700 -0.187 0.000 1.008 119 T CA -0.611 61.416 62.100 -0.121 0.000 0.997 119 T CB 1.465 70.302 68.868 -0.051 0.000 0.992 119 T HN 0.300 nan 8.240 nan 0.000 0.454 120 Y N 0.225 120.509 120.300 -0.027 0.000 2.659 120 Y HA 0.712 5.288 4.550 0.043 0.000 0.333 120 Y C 0.161 176.042 175.900 -0.032 0.000 1.064 120 Y CA -1.567 56.512 58.100 -0.035 0.000 1.141 120 Y CB 1.988 40.421 38.460 -0.045 0.000 1.316 120 Y HN 0.987 nan 8.280 nan 0.000 0.509 121 A N 2.325 125.223 122.820 0.129 0.000 2.586 121 A HA 0.626 4.972 4.320 0.044 0.000 0.320 121 A C -2.912 174.699 177.584 0.045 0.000 1.281 121 A CA -1.759 50.314 52.037 0.061 0.000 0.775 121 A CB -0.182 18.835 19.000 0.028 0.000 1.122 121 A HN 0.391 nan 8.150 nan 0.000 0.470 122 P HA 0.233 nan 4.420 nan 0.000 0.268 122 P C -0.190 177.101 177.300 -0.016 0.000 1.208 122 P CA 0.298 63.392 63.100 -0.010 0.000 0.777 122 P CB 0.503 32.187 31.700 -0.027 0.000 0.875 123 R N 1.720 122.201 120.500 -0.031 0.000 2.836 123 R HA 0.516 4.882 4.340 0.044 0.000 0.269 123 R C -2.439 173.844 176.300 -0.028 0.000 1.010 123 R CA -2.036 54.048 56.100 -0.027 0.000 0.930 123 R CB 0.641 30.920 30.300 -0.034 0.000 1.218 123 R HN 0.367 nan 8.270 nan 0.000 0.473 124 P HA 0.102 nan 4.420 nan 0.000 0.268 124 P C -1.183 176.105 177.300 -0.020 0.000 1.205 124 P CA -0.077 63.013 63.100 -0.016 0.000 0.771 124 P CB 0.920 32.613 31.700 -0.011 0.000 0.858 125 A N 3.268 126.076 122.820 -0.020 0.000 2.356 125 A HA 0.669 5.015 4.320 0.044 0.000 0.323 125 A C -0.376 177.195 177.584 -0.021 0.000 1.119 125 A CA -0.860 51.164 52.037 -0.021 0.000 0.790 125 A CB 0.772 19.755 19.000 -0.028 0.000 1.273 125 A HN 0.481 nan 8.150 nan 0.000 0.452 126 I N 2.261 122.817 120.570 -0.022 0.000 2.330 126 I HA 0.247 4.443 4.170 0.044 0.000 0.286 126 I C 0.200 176.281 176.117 -0.059 0.000 1.025 126 I CA 0.176 61.454 61.300 -0.035 0.000 1.197 126 I CB 1.130 39.109 38.000 -0.035 0.000 1.358 126 I HN 0.635 nan 8.210 nan 0.000 0.467 127 L N 4.458 125.639 121.223 -0.071 0.000 2.701 127 L HA 0.243 4.609 4.340 0.044 0.000 0.238 127 L C 0.733 177.522 176.870 -0.135 0.000 1.106 127 L CA 0.093 54.859 54.840 -0.123 0.000 0.898 127 L CB 0.084 42.080 42.059 -0.104 0.000 1.188 127 L HN 0.627 nan 8.230 nan 0.000 0.508 128 T N -4.255 110.247 114.554 -0.087 0.000 2.930 128 T HA 0.398 4.774 4.350 0.044 0.000 0.290 128 T C 0.791 175.447 174.700 -0.073 0.000 1.052 128 T CA -0.690 61.364 62.100 -0.077 0.000 1.017 128 T CB 2.200 71.046 68.868 -0.038 0.000 1.137 128 T HN -0.254 nan 8.240 nan 0.000 0.511 129 L N 1.413 122.594 121.223 -0.069 0.000 2.013 129 L HA -0.054 4.312 4.340 0.044 0.000 0.212 129 L C 2.129 178.960 176.870 -0.065 0.000 1.073 129 L CA 2.087 56.884 54.840 -0.071 0.000 0.753 129 L CB -1.425 40.597 42.059 -0.061 0.000 0.890 129 L HN 0.838 nan 8.230 nan 0.000 0.432 130 D N -1.694 118.677 120.400 -0.048 0.000 2.097 130 D HA -0.212 4.454 4.640 0.044 0.000 0.195 130 D C 2.140 178.412 176.300 -0.046 0.000 0.989 130 D CA 0.979 54.951 54.000 -0.046 0.000 0.827 130 D CB -0.232 40.551 40.800 -0.029 0.000 0.966 130 D HN 0.379 nan 8.370 nan 0.000 0.456 131 Q N 0.290 120.066 119.800 -0.041 0.000 2.077 131 Q HA -0.198 4.168 4.340 0.044 0.000 0.206 131 Q C 2.274 178.246 176.000 -0.047 0.000 0.989 131 Q CA 1.746 57.526 55.803 -0.038 0.000 0.853 131 Q CB -0.247 28.470 28.738 -0.035 0.000 0.907 131 Q HN 0.374 nan 8.270 nan 0.000 0.418 132 A N 0.243 123.027 122.820 -0.059 0.000 1.898 132 A HA -0.158 4.189 4.320 0.044 0.000 0.216 132 A C 1.982 179.527 177.584 -0.065 0.000 1.181 132 A CA 0.944 52.941 52.037 -0.066 0.000 0.620 132 A CB -0.619 18.335 19.000 -0.078 0.000 0.819 132 A HN 0.305 nan 8.150 nan 0.000 0.442 133 L N 0.001 121.179 121.223 -0.076 0.000 1.990 133 L HA -0.205 4.161 4.340 0.044 0.000 0.213 133 L C 2.894 179.727 176.870 -0.061 0.000 1.072 133 L CA 2.235 57.021 54.840 -0.090 0.000 0.755 133 L CB -1.094 40.897 42.059 -0.115 0.000 0.889 133 L HN 0.415 nan 8.230 nan 0.000 0.432 134 A N -0.829 121.960 122.820 -0.050 0.000 1.884 134 A HA -0.246 4.100 4.320 0.044 0.000 0.219 134 A C 2.178 179.744 177.584 -0.030 0.000 1.197 134 A CA 2.373 54.389 52.037 -0.035 0.000 0.637 134 A CB -1.184 17.798 19.000 -0.029 0.000 0.827 134 A HN 0.538 nan 8.150 nan 0.000 0.450 135 A N -1.538 121.262 122.820 -0.034 0.000 2.278 135 A HA 0.342 4.688 4.320 0.044 0.000 0.212 135 A C 0.677 178.243 177.584 -0.029 0.000 1.213 135 A CA 1.004 53.024 52.037 -0.028 0.000 0.840 135 A CB -0.578 18.404 19.000 -0.030 0.000 0.866 135 A HN 0.658 nan 8.150 nan 0.000 0.489 136 D N -0.424 119.958 120.400 -0.030 0.000 2.704 136 D HA -0.171 4.495 4.640 0.044 0.000 0.232 136 D C 0.026 176.298 176.300 -0.046 0.000 1.183 136 D CA 1.056 55.040 54.000 -0.026 0.000 0.647 136 D CB -1.258 39.536 40.800 -0.011 0.000 1.013 136 D HN 0.302 nan 8.370 nan 0.000 0.415 137 S N 0.923 116.582 115.700 -0.068 0.000 2.400 137 S HA 0.503 4.999 4.470 0.044 0.000 0.295 137 S C 0.065 174.562 174.600 -0.171 0.000 1.113 137 S CA -0.325 57.807 58.200 -0.114 0.000 1.064 137 S CB 0.176 63.312 63.200 -0.106 0.000 0.990 137 S HN 0.493 nan 8.310 nan 0.000 0.502 138 R N 2.921 123.283 120.500 -0.229 0.000 2.762 138 R HA 0.488 4.854 4.340 0.044 0.000 0.271 138 R C -1.712 174.399 176.300 -0.315 0.000 1.038 138 R CA -0.899 55.050 56.100 -0.251 0.000 0.906 138 R CB 0.508 30.777 30.300 -0.053 0.000 1.259 138 R HN 0.437 nan 8.270 nan 0.000 0.457 139 F N 0.552 120.503 119.950 0.002 0.000 2.507 139 F HA 0.343 4.897 4.527 0.044 0.000 0.327 139 F C 0.339 176.134 175.800 -0.009 0.000 1.068 139 F CA -0.465 57.531 58.000 -0.008 0.000 0.965 139 F CB 1.916 40.905 39.000 -0.018 0.000 1.192 139 F HN 0.805 nan 8.300 nan 0.000 0.476 140 E N 0.363 120.692 120.200 0.215 0.000 3.070 140 E HA -0.220 4.156 4.350 0.044 0.000 0.285 140 E C 0.952 177.592 176.600 0.066 0.000 0.972 140 E CA 0.387 56.850 56.400 0.104 0.000 0.915 140 E CB -1.881 27.864 29.700 0.074 0.000 1.466 140 E HN 1.142 nan 8.360 nan 0.000 0.432 141 G N -0.350 108.490 108.800 0.065 0.000 2.337 141 G HA2 -0.098 3.888 3.960 0.044 0.000 0.290 141 G HA3 -0.098 3.888 3.960 0.044 0.000 0.290 141 G C 0.549 175.466 174.900 0.028 0.000 1.003 141 G CA 1.089 46.212 45.100 0.038 0.000 0.825 141 G HN 1.320 nan 8.290 nan 0.000 0.509 142 G N -1.758 107.058 108.800 0.027 0.000 2.333 142 G HA2 0.518 4.504 3.960 0.044 0.000 0.330 142 G HA3 0.518 4.504 3.960 0.044 0.000 0.330 142 G C -2.539 172.344 174.900 -0.028 0.000 1.465 142 G CA -0.104 45.004 45.100 0.014 0.000 0.996 142 G HN 0.583 nan 8.290 nan 0.000 0.655 143 P HA 0.442 nan 4.420 nan 0.000 0.272 143 P C -0.387 176.800 177.300 -0.188 0.000 1.254 143 P CA -0.201 62.726 63.100 -0.290 0.000 0.795 143 P CB 1.012 32.327 31.700 -0.641 0.000 1.022 144 V N 1.523 121.300 119.914 -0.228 0.000 2.448 144 V HA 0.385 4.532 4.120 0.044 0.000 0.295 144 V C 0.409 176.356 176.094 -0.244 0.000 1.025 144 V CA -0.475 61.716 62.300 -0.182 0.000 0.859 144 V CB 1.190 32.871 31.823 -0.237 0.000 0.988 144 V HN 0.347 nan 8.190 nan 0.000 0.431 145 I N 4.114 124.622 120.570 -0.103 0.000 2.509 145 I HA 0.541 4.737 4.170 0.044 0.000 0.293 145 I C -1.238 175.006 176.117 0.212 0.000 1.020 145 I CA -0.435 60.839 61.300 -0.044 0.000 1.088 145 I CB 2.260 40.275 38.000 0.024 0.000 1.267 145 I HN 0.484 nan 8.210 nan 0.000 0.430 146 W N 4.368 125.714 121.300 0.076 0.000 2.915 146 W HA 0.782 5.468 4.660 0.043 0.000 0.337 146 W C -0.538 176.059 176.519 0.129 0.000 1.102 146 W CA -1.423 55.991 57.345 0.115 0.000 1.224 146 W CB 1.887 31.453 29.460 0.176 0.000 1.416 146 W HN 0.433 nan 8.180 nan 0.000 0.503 147 A N 3.202 126.238 122.820 0.360 0.000 2.488 147 A HA 0.800 5.146 4.320 0.044 0.000 0.298 147 A C -1.262 176.444 177.584 0.204 0.000 1.044 147 A CA -0.905 51.276 52.037 0.241 0.000 0.693 147 A CB 2.112 21.211 19.000 0.165 0.000 1.272 147 A HN 0.561 nan 8.150 nan 0.000 0.402 148 R N 2.253 122.867 120.500 0.191 0.000 2.483 148 R HA 0.581 4.947 4.340 0.044 0.000 0.303 148 R C 0.246 176.613 176.300 0.111 0.000 0.987 148 R CA 0.700 56.894 56.100 0.156 0.000 0.881 148 R CB 1.112 31.533 30.300 0.200 0.000 1.177 148 R HN 2.496 nan 8.270 nan 0.000 0.451 149 G N 2.807 111.658 108.800 0.086 0.000 2.627 149 G HA2 -0.239 3.747 3.960 0.044 0.000 0.214 149 G HA3 -0.239 3.747 3.960 0.044 0.000 0.214 149 G C -1.410 173.522 174.900 0.053 0.000 1.331 149 G CA -0.164 44.974 45.100 0.062 0.000 0.891 149 G HN 0.606 nan 8.290 nan 0.000 0.539 150 D N 0.343 120.765 120.400 0.037 0.000 2.464 150 D HA 0.509 5.175 4.640 0.044 0.000 0.243 150 D C 1.826 178.136 176.300 0.016 0.000 1.104 150 D CA 0.230 54.248 54.000 0.029 0.000 0.883 150 D CB 0.942 41.757 40.800 0.024 0.000 1.050 150 D HN 0.857 nan 8.370 nan 0.000 0.524 151 V N 2.377 122.301 119.914 0.016 0.000 2.295 151 V HA -0.174 3.973 4.120 0.044 0.000 0.246 151 V C 2.015 178.103 176.094 -0.010 0.000 1.049 151 V CA 1.098 63.396 62.300 -0.003 0.000 1.024 151 V CB -0.566 31.253 31.823 -0.006 0.000 0.648 151 V HN 0.389 nan 8.190 nan 0.000 0.447 152 E N 1.030 121.229 120.200 -0.002 0.000 2.049 152 E HA -0.207 4.169 4.350 0.044 0.000 0.198 152 E C 2.360 178.955 176.600 -0.009 0.000 1.007 152 E CA 2.297 58.693 56.400 -0.007 0.000 0.809 152 E CB -0.974 28.726 29.700 0.001 0.000 0.749 152 E HN 0.712 nan 8.360 nan 0.000 0.450 153 T N 1.854 116.406 114.554 -0.003 0.000 2.597 153 T HA -0.228 4.148 4.350 0.044 0.000 0.267 153 T C 2.026 176.720 174.700 -0.011 0.000 1.053 153 T CA 2.087 64.185 62.100 -0.004 0.000 1.165 153 T CB -0.507 68.362 68.868 0.003 0.000 0.863 153 T HN 0.354 nan 8.240 nan 0.000 0.427 154 A N 1.385 124.198 122.820 -0.012 0.000 1.859 154 A HA -0.117 4.229 4.320 0.044 0.000 0.217 154 A C 2.374 179.941 177.584 -0.029 0.000 1.198 154 A CA 1.764 53.789 52.037 -0.020 0.000 0.629 154 A CB -1.125 17.859 19.000 -0.026 0.000 0.830 154 A HN 0.485 nan 8.150 nan 0.000 0.446 155 L N -0.949 120.253 121.223 -0.035 0.000 1.956 155 L HA -0.269 4.097 4.340 0.044 0.000 0.216 155 L C 3.136 179.982 176.870 -0.040 0.000 1.073 155 L CA 1.392 56.206 54.840 -0.042 0.000 0.762 155 L CB -0.900 41.131 42.059 -0.048 0.000 0.889 155 L HN 0.475 nan 8.230 nan 0.000 0.433 156 A N 0.263 123.064 122.820 -0.033 0.000 1.969 156 A HA -0.271 4.076 4.320 0.044 0.000 0.223 156 A C 1.962 179.526 177.584 -0.034 0.000 1.218 156 A CA 2.264 54.282 52.037 -0.031 0.000 0.667 156 A CB -1.386 17.601 19.000 -0.022 0.000 0.826 156 A HN 0.553 nan 8.150 nan 0.000 0.472 157 G N -1.542 107.239 108.800 -0.032 0.000 3.591 157 G HA2 0.493 4.479 3.960 0.044 0.000 0.282 157 G HA3 0.493 4.479 3.960 0.044 0.000 0.282 157 G C 0.126 175.001 174.900 -0.041 0.000 1.238 157 G CA 0.580 45.660 45.100 -0.033 0.000 0.993 157 G HN 0.864 nan 8.290 nan 0.000 0.542 158 A N 0.090 122.880 122.820 -0.050 0.000 2.276 158 A HA 0.721 5.068 4.320 0.044 0.000 0.316 158 A C 1.452 178.979 177.584 -0.096 0.000 1.229 158 A CA 0.196 52.200 52.037 -0.055 0.000 0.851 158 A CB 1.139 20.114 19.000 -0.043 0.000 1.165 158 A HN 0.696 nan 8.150 nan 0.000 0.513 159 A N 2.102 124.852 122.820 -0.116 0.000 2.042 159 A HA -0.063 4.284 4.320 0.044 0.000 0.222 159 A C 0.809 178.089 177.584 -0.507 0.000 1.167 159 A CA 1.944 53.812 52.037 -0.282 0.000 0.649 159 A CB -0.523 18.330 19.000 -0.246 0.000 0.809 159 A HN 0.926 nan 8.150 nan 0.000 0.457 160 H N -3.756 115.276 119.070 -0.064 0.000 2.930 160 H HA 0.712 5.294 4.556 0.044 0.000 0.371 160 H C -1.298 173.972 175.328 -0.097 0.000 1.169 160 H CA -0.615 55.385 56.048 -0.080 0.000 1.157 160 H CB 1.798 31.511 29.762 -0.081 0.000 1.789 160 H HN 0.224 nan 8.280 nan 0.000 0.547 161 L N 1.452 122.692 121.223 0.027 0.000 2.506 161 L HA 0.826 5.192 4.340 0.044 0.000 0.257 161 L C -1.574 175.207 176.870 -0.148 0.000 0.964 161 L CA -0.353 54.448 54.840 -0.064 0.000 0.836 161 L CB 2.054 44.069 42.059 -0.072 0.000 1.384 161 L HN 0.797 nan 8.230 nan 0.000 0.410 162 A N 3.056 125.765 122.820 -0.184 0.000 2.408 162 A HA 0.774 5.120 4.320 0.044 0.000 0.295 162 A C -1.464 175.996 177.584 -0.207 0.000 1.040 162 A CA -0.585 51.248 52.037 -0.340 0.000 0.707 162 A CB 1.270 19.948 19.000 -0.537 0.000 1.235 162 A HN 0.615 nan 8.150 nan 0.000 0.418 163 E N 1.184 121.224 120.200 -0.265 0.000 2.207 163 E HA 0.701 5.077 4.350 0.044 0.000 0.270 163 E C -0.061 176.315 176.600 -0.373 0.000 0.927 163 E CA -0.935 55.302 56.400 -0.272 0.000 0.799 163 E CB 2.473 32.058 29.700 -0.191 0.000 1.172 163 E HN 0.916 nan 8.360 nan 0.000 0.404 164 G N 0.154 108.396 108.800 -0.929 0.000 2.632 164 G HA2 0.452 4.438 3.960 0.044 0.000 0.292 164 G HA3 0.452 4.438 3.960 0.044 0.000 0.292 164 G C -1.625 172.789 174.900 -0.809 0.000 1.465 164 G CA -0.535 44.146 45.100 -0.698 0.000 0.824 164 G HN 0.649 nan 8.290 nan 0.000 0.509 165 C N 1.027 120.302 119.300 -0.042 0.000 2.797 165 C HA 1.004 5.490 4.460 0.044 0.000 0.306 165 C C -1.177 174.113 174.990 0.500 0.000 1.207 165 C CA -1.107 58.031 59.018 0.200 0.000 1.507 165 C CB 0.237 28.045 27.740 0.113 0.000 2.028 165 C HN 1.544 nan 8.230 nan 0.000 0.475 166 F N 2.510 122.616 119.950 0.261 0.000 2.703 166 F HA 0.691 5.245 4.527 0.044 0.000 0.308 166 F C -1.016 174.885 175.800 0.170 0.000 1.126 166 F CA -0.676 57.459 58.000 0.225 0.000 0.959 166 F CB 1.066 40.233 39.000 0.278 0.000 1.297 166 F HN 0.539 nan 8.300 nan 0.000 0.441 167 E N 3.396 123.578 120.200 -0.030 0.000 2.242 167 E HA 0.554 4.930 4.350 0.044 0.000 0.275 167 E C -0.829 175.585 176.600 -0.310 0.000 1.002 167 E CA -0.657 55.646 56.400 -0.162 0.000 0.841 167 E CB 2.856 32.551 29.700 -0.009 0.000 1.109 167 E HN 0.615 nan 8.360 nan 0.000 0.394 168 I N 0.940 121.355 120.570 -0.258 0.000 2.465 168 I HA 0.350 4.546 4.170 0.044 0.000 0.291 168 I C 0.478 176.587 176.117 -0.014 0.000 1.014 168 I CA -0.850 60.310 61.300 -0.234 0.000 1.093 168 I CB 2.124 39.967 38.000 -0.260 0.000 1.267 168 I HN 0.436 nan 8.210 nan 0.000 0.431 169 G N 3.237 112.027 108.800 -0.017 0.000 2.437 169 G HA2 0.586 4.572 3.960 0.044 0.000 0.319 169 G HA3 0.586 4.572 3.960 0.044 0.000 0.319 169 G C 0.204 175.291 174.900 0.311 0.000 1.158 169 G CA -0.412 44.769 45.100 0.134 0.000 0.899 169 G HN 0.738 nan 8.290 nan 0.000 0.502 170 G N -1.339 107.633 108.800 0.287 0.000 2.486 170 G HA2 0.482 4.468 3.960 0.044 0.000 0.272 170 G HA3 0.482 4.468 3.960 0.044 0.000 0.272 170 G C -0.191 174.859 174.900 0.249 0.000 1.426 170 G CA -0.099 45.158 45.100 0.261 0.000 1.058 170 G HN 0.770 nan 8.290 nan 0.000 0.531 171 Q N -1.410 118.438 119.800 0.079 0.000 2.468 171 Q HA 0.337 4.703 4.340 0.044 0.000 0.263 171 Q C -1.809 174.205 176.000 0.024 0.000 0.979 171 Q CA -0.690 55.146 55.803 0.055 0.000 0.932 171 Q CB 1.951 30.498 28.738 -0.319 0.000 1.462 171 Q HN 0.532 nan 8.270 nan 0.000 0.403 172 E N 1.651 121.833 120.200 -0.029 0.000 2.197 172 E HA 0.223 4.599 4.350 0.044 0.000 0.281 172 E C -0.278 176.385 176.600 0.105 0.000 0.995 172 E CA 0.220 56.515 56.400 -0.176 0.000 0.808 172 E CB 0.769 30.053 29.700 -0.693 0.000 1.093 172 E HN 0.720 nan 8.360 nan 0.000 0.394 173 H N 3.813 122.952 119.070 0.116 0.000 2.289 173 H HA -0.077 4.506 4.556 0.045 0.000 0.296 173 H C -0.037 175.268 175.328 -0.038 0.000 1.091 173 H CA 1.832 57.793 56.048 -0.145 0.000 1.274 173 H CB -0.225 29.335 29.762 -0.337 0.000 1.364 173 H HN 0.613 nan 8.280 nan 0.000 0.490 174 F N 0.510 120.294 119.950 -0.276 0.000 2.688 174 F HA -0.235 4.320 4.527 0.046 0.000 0.276 174 F C -1.070 174.651 175.800 -0.132 0.000 1.034 174 F CA -0.526 57.331 58.000 -0.238 0.000 0.991 174 F CB -1.644 37.353 39.000 -0.006 0.000 1.119 174 F HN 0.130 nan 8.300 nan 0.000 0.837 175 Y N 2.653 122.957 120.300 0.006 0.000 2.402 175 Y HA 0.363 4.941 4.550 0.047 0.000 0.333 175 Y C 1.038 176.858 175.900 -0.133 0.000 1.076 175 Y CA -1.652 56.508 58.100 0.100 0.000 1.299 175 Y CB 0.170 38.673 38.460 0.072 0.000 1.197 175 Y HN 0.188 nan 8.280 nan 0.000 0.517 176 L N 1.326 122.601 121.223 0.087 0.000 2.081 176 L HA -0.167 4.199 4.340 0.044 0.000 0.212 176 L C 1.196 178.026 176.870 -0.065 0.000 1.080 176 L CA 1.612 56.423 54.840 -0.048 0.000 0.754 176 L CB -0.650 41.407 42.059 -0.004 0.000 0.893 176 L HN 0.863 nan 8.230 nan 0.000 0.433 177 E N -0.030 120.149 120.200 -0.035 0.000 2.227 177 E HA 0.361 4.737 4.350 0.044 0.000 0.282 177 E C 0.097 176.712 176.600 0.025 0.000 1.015 177 E CA -0.193 56.163 56.400 -0.074 0.000 0.823 177 E CB 1.399 31.018 29.700 -0.134 0.000 1.081 177 E HN 0.174 nan 8.360 nan 0.000 0.396 178 G N 2.919 111.737 108.800 0.031 0.000 2.557 178 G HA2 0.076 4.062 3.960 0.044 0.000 0.292 178 G HA3 0.076 4.062 3.960 0.044 0.000 0.292 178 G C -0.171 174.684 174.900 -0.075 0.000 1.237 178 G CA -0.535 44.634 45.100 0.114 0.000 0.978 178 G HN 0.547 nan 8.290 nan 0.000 0.498 179 Q N -0.888 118.859 119.800 -0.089 0.000 2.428 179 Q HA 0.423 4.789 4.340 0.044 0.000 0.276 179 Q C 0.152 175.985 176.000 -0.277 0.000 1.059 179 Q CA 0.765 56.406 55.803 -0.270 0.000 0.923 179 Q CB 1.156 29.691 28.738 -0.339 0.000 1.283 179 Q HN 0.846 nan 8.270 nan 0.000 0.447 180 A N -0.116 122.549 122.820 -0.258 0.000 2.590 180 A HA 0.770 5.116 4.320 0.044 0.000 0.294 180 A C -1.737 175.761 177.584 -0.143 0.000 1.046 180 A CA 0.088 52.007 52.037 -0.196 0.000 0.684 180 A CB 1.200 20.127 19.000 -0.122 0.000 1.279 180 A HN 0.838 nan 8.150 nan 0.000 0.415 181 A N -0.170 122.580 122.820 -0.116 0.000 2.586 181 A HA 0.944 5.290 4.320 0.044 0.000 0.290 181 A C -2.039 175.512 177.584 -0.055 0.000 1.086 181 A CA -0.129 51.866 52.037 -0.069 0.000 0.665 181 A CB 1.235 20.190 19.000 -0.075 0.000 1.279 181 A HN 2.469 nan 8.150 nan 0.000 0.423 182 L N -0.520 120.692 121.223 -0.019 0.000 2.556 182 L HA 0.908 5.274 4.340 0.044 0.000 0.257 182 L C -0.809 176.070 176.870 0.016 0.000 0.955 182 L CA 0.321 55.154 54.840 -0.012 0.000 0.850 182 L CB 1.827 43.893 42.059 0.010 0.000 1.398 182 L HN 1.967 nan 8.230 nan 0.000 0.412 183 A N 4.724 127.543 122.820 -0.001 0.000 2.398 183 A HA 0.839 5.185 4.320 0.044 0.000 0.301 183 A C -1.888 175.702 177.584 0.009 0.000 1.041 183 A CA -0.424 51.615 52.037 0.003 0.000 0.711 183 A CB 1.380 20.369 19.000 -0.020 0.000 1.240 183 A HN 0.673 nan 8.150 nan 0.000 0.420 184 L N 3.951 125.188 121.223 0.023 0.000 2.342 184 L HA 0.429 4.795 4.340 0.044 0.000 0.276 184 L C -2.263 174.613 176.870 0.011 0.000 0.997 184 L CA -2.014 52.838 54.840 0.021 0.000 0.838 184 L CB 2.179 44.266 42.059 0.046 0.000 1.224 184 L HN 0.502 nan 8.230 nan 0.000 0.416 185 P HA 0.046 nan 4.420 nan 0.000 0.264 185 P C -0.716 176.589 177.300 0.009 0.000 1.193 185 P CA -0.066 63.039 63.100 0.009 0.000 0.763 185 P CB 1.248 32.957 31.700 0.014 0.000 0.810 186 A N 3.781 126.604 122.820 0.005 0.000 2.815 186 A HA 0.320 4.666 4.320 0.044 0.000 0.318 186 A C 0.253 177.836 177.584 -0.001 0.000 1.186 186 A CA -0.680 51.358 52.037 0.002 0.000 0.754 186 A CB -0.105 18.894 19.000 -0.001 0.000 1.151 186 A HN 0.665 nan 8.150 nan 0.000 0.452 187 E N 1.190 121.391 120.200 0.002 0.000 1.626 187 E HA -0.177 4.199 4.350 0.044 0.000 0.273 187 E C 0.933 177.533 176.600 0.000 0.000 1.490 187 E CA 0.848 57.249 56.400 0.001 0.000 0.961 187 E CB -1.616 28.082 29.700 -0.003 0.000 0.824 187 E HN 2.249 nan 8.360 nan 0.000 0.316 188 G N 1.379 110.183 108.800 0.007 0.000 2.299 188 G HA2 -0.247 3.739 3.960 0.044 0.000 0.237 188 G HA3 -0.247 3.739 3.960 0.044 0.000 0.237 188 G C 0.538 175.446 174.900 0.013 0.000 1.027 188 G CA 0.156 45.263 45.100 0.010 0.000 0.619 188 G HN 1.369 nan 8.290 nan 0.000 0.513 189 G N -1.415 107.389 108.800 0.007 0.000 3.222 189 G HA2 0.886 4.872 3.960 0.044 0.000 0.263 189 G HA3 0.886 4.872 3.960 0.044 0.000 0.263 189 G C -0.652 174.250 174.900 0.003 0.000 1.312 189 G CA 0.526 45.631 45.100 0.009 0.000 0.934 189 G HN 1.475 nan 8.290 nan 0.000 0.577 190 V N -2.449 117.462 119.914 -0.004 0.000 3.102 190 V HA 0.822 4.969 4.120 0.044 0.000 0.312 190 V C -0.745 175.331 176.094 -0.029 0.000 1.135 190 V CA -1.053 61.240 62.300 -0.012 0.000 1.022 190 V CB 1.542 33.356 31.823 -0.015 0.000 1.056 190 V HN 0.564 nan 8.190 nan 0.000 0.436 191 V N 3.434 123.328 119.914 -0.034 0.000 2.448 191 V HA 0.526 4.672 4.120 0.044 0.000 0.295 191 V C -0.662 175.377 176.094 -0.092 0.000 1.025 191 V CA -0.381 61.874 62.300 -0.075 0.000 0.859 191 V CB 1.535 33.322 31.823 -0.060 0.000 0.988 191 V HN 0.667 nan 8.190 nan 0.000 0.431 192 I N 4.601 125.082 120.570 -0.149 0.000 2.377 192 I HA 0.456 4.652 4.170 0.044 0.000 0.293 192 I C 0.137 176.097 176.117 -0.262 0.000 0.987 192 I CA -0.554 60.669 61.300 -0.128 0.000 1.185 192 I CB 1.269 39.209 38.000 -0.099 0.000 1.341 192 I HN 0.545 nan 8.210 nan 0.000 0.455 193 H N 5.181 124.224 119.070 -0.045 0.000 2.458 193 H HA 0.609 5.152 4.556 -0.021 0.000 0.330 193 H C -0.185 175.112 175.328 -0.052 0.000 1.111 193 H CA -0.248 55.773 56.048 -0.045 0.000 1.245 193 H CB 2.266 32.003 29.762 -0.042 0.000 1.456 193 H HN 0.825 nan 8.280 nan 0.000 0.488 194 C N 0.510 119.833 119.300 0.039 0.000 3.293 194 C HA 0.513 4.999 4.460 0.044 0.000 0.362 194 C C 0.191 175.169 174.990 -0.021 0.000 1.539 194 C CA -1.110 57.905 59.018 -0.006 0.000 1.201 194 C CB 1.337 29.053 27.740 -0.040 0.000 1.770 194 C HN 0.683 nan 8.230 nan 0.000 0.440 195 S N 1.272 116.936 115.700 -0.060 0.000 2.475 195 S HA 0.696 5.192 4.470 0.044 0.000 0.249 195 S C -0.449 174.082 174.600 -0.115 0.000 1.298 195 S CA 0.355 58.509 58.200 -0.076 0.000 1.125 195 S CB -0.573 62.569 63.200 -0.097 0.000 1.054 195 S HN 1.837 nan 8.310 nan 0.000 0.484 196 S N 3.401 119.051 115.700 -0.083 0.000 2.550 196 S HA 0.402 4.899 4.470 0.044 0.000 0.270 196 S C 0.042 174.611 174.600 -0.052 0.000 1.145 196 S CA -0.626 57.526 58.200 -0.080 0.000 0.852 196 S CB 1.564 64.736 63.200 -0.046 0.000 1.119 196 S HN 0.609 nan 8.310 nan 0.000 0.465 197 Q N 1.143 120.914 119.800 -0.049 0.000 2.403 197 Q HA 0.162 4.529 4.340 0.044 0.000 0.203 197 Q C -0.155 175.867 176.000 0.037 0.000 0.932 197 Q CA 0.347 56.125 55.803 -0.041 0.000 0.945 197 Q CB 0.042 28.734 28.738 -0.078 0.000 1.045 197 Q HN 0.762 nan 8.270 nan 0.000 0.511 198 H N -0.396 118.646 119.070 -0.047 0.000 2.514 198 H HA 0.138 4.719 4.556 0.043 0.000 0.226 198 H C -2.241 173.059 175.328 -0.046 0.000 1.421 198 H CA -2.079 53.947 56.048 -0.036 0.000 1.394 198 H CB 1.212 30.956 29.762 -0.030 0.000 1.701 198 H HN 0.010 nan 8.280 nan 0.000 0.515 199 P HA -0.124 nan 4.420 nan 0.000 0.215 199 P C 1.664 178.919 177.300 -0.075 0.000 1.157 199 P CA 0.978 64.070 63.100 -0.013 0.000 0.863 199 P CB 0.380 32.076 31.700 -0.006 0.000 0.787 200 S N -0.306 115.377 115.700 -0.029 0.000 2.372 200 S HA -0.272 4.224 4.470 0.044 0.000 0.227 200 S C 1.998 176.420 174.600 -0.296 0.000 1.044 200 S CA 1.759 59.890 58.200 -0.116 0.000 1.050 200 S CB -0.940 62.255 63.200 -0.008 0.000 0.901 200 S HN 0.345 nan 8.310 nan 0.000 0.447 201 E N 0.478 120.305 120.200 -0.622 0.000 2.077 201 E HA -0.121 4.255 4.350 0.044 0.000 0.193 201 E C 1.922 178.334 176.600 -0.313 0.000 0.989 201 E CA 0.943 56.989 56.400 -0.590 0.000 0.800 201 E CB -0.080 29.054 29.700 -0.942 0.000 0.746 201 E HN 0.318 nan 8.360 nan 0.000 0.452 202 I N 1.468 121.901 120.570 -0.228 0.000 2.194 202 I HA -0.326 3.870 4.170 0.044 0.000 0.246 202 I C 2.558 178.583 176.117 -0.153 0.000 1.093 202 I CA 1.554 62.770 61.300 -0.139 0.000 1.355 202 I CB -1.279 36.662 38.000 -0.100 0.000 1.046 202 I HN 0.405 nan 8.210 nan 0.000 0.413 203 Q N 0.195 119.876 119.800 -0.199 0.000 2.014 203 Q HA -0.304 4.063 4.340 0.044 0.000 0.207 203 Q C 2.360 178.134 176.000 -0.377 0.000 0.993 203 Q CA 2.348 57.994 55.803 -0.261 0.000 0.850 203 Q CB -0.309 28.249 28.738 -0.301 0.000 0.916 203 Q HN 0.633 nan 8.270 nan 0.000 0.417 204 H N -0.101 118.600 119.070 -0.615 0.000 2.289 204 H HA -0.143 4.439 4.556 0.042 0.000 0.294 204 H C 1.886 177.020 175.328 -0.323 0.000 1.095 204 H CA 2.002 57.593 56.048 -0.761 0.000 1.256 204 H CB 0.242 29.714 29.762 -0.483 0.000 1.359 204 H HN 0.087 nan 8.280 nan 0.000 0.487 205 K N 0.044 120.495 120.400 0.085 0.000 2.148 205 K HA -0.064 4.282 4.320 0.044 0.000 0.204 205 K C 2.303 178.941 176.600 0.064 0.000 1.050 205 K CA 0.969 57.333 56.287 0.128 0.000 0.942 205 K CB -0.085 32.429 32.500 0.022 0.000 0.724 205 K HN 0.240 nan 8.250 nan 0.000 0.446 206 V N 1.672 121.573 119.914 -0.022 0.000 2.358 206 V HA -0.210 3.936 4.120 0.044 0.000 0.246 206 V C 2.467 178.557 176.094 -0.006 0.000 1.047 206 V CA 1.851 64.141 62.300 -0.016 0.000 1.035 206 V CB -0.572 31.223 31.823 -0.048 0.000 0.658 206 V HN 0.287 nan 8.190 nan 0.000 0.452 207 A N -0.669 122.111 122.820 -0.067 0.000 1.865 207 A HA -0.299 4.047 4.320 0.044 0.000 0.217 207 A C 1.982 179.565 177.584 -0.000 0.000 1.191 207 A CA 2.281 54.287 52.037 -0.052 0.000 0.623 207 A CB -1.043 17.920 19.000 -0.061 0.000 0.826 207 A HN 0.703 nan 8.150 nan 0.000 0.444 208 H N -0.870 118.249 119.070 0.081 0.000 2.457 208 H HA -0.007 4.577 4.556 0.045 0.000 0.297 208 H C 2.268 177.632 175.328 0.059 0.000 1.092 208 H CA 0.931 57.020 56.048 0.068 0.000 1.309 208 H CB 0.040 29.871 29.762 0.115 0.000 1.382 208 H HN 0.565 nan 8.280 nan 0.000 0.535 209 A N 0.222 123.147 122.820 0.176 0.000 2.021 209 A HA 0.015 4.361 4.320 0.044 0.000 0.216 209 A C 2.036 179.723 177.584 0.171 0.000 1.163 209 A CA 0.589 52.720 52.037 0.158 0.000 0.676 209 A CB -0.031 19.031 19.000 0.103 0.000 0.818 209 A HN 0.311 nan 8.150 nan 0.000 0.453 210 L N -1.439 119.847 121.223 0.107 0.000 2.477 210 L HA 0.202 4.568 4.340 0.044 0.000 0.220 210 L C 1.407 178.258 176.870 -0.032 0.000 1.106 210 L CA 0.671 55.578 54.840 0.112 0.000 0.851 210 L CB -0.271 41.817 42.059 0.050 0.000 0.994 210 L HN 0.563 nan 8.230 nan 0.000 0.462 211 G N 1.515 110.175 108.800 -0.234 0.000 2.303 211 G HA2 -0.222 3.764 3.960 0.044 0.000 0.260 211 G HA3 -0.222 3.764 3.960 0.044 0.000 0.260 211 G C -0.439 174.309 174.900 -0.253 0.000 1.106 211 G CA -0.199 44.545 45.100 -0.594 0.000 0.900 211 G HN 0.194 nan 8.290 nan 0.000 0.495 212 L N -0.569 120.579 121.223 -0.125 0.000 2.388 212 L HA 0.834 5.200 4.340 0.044 0.000 0.264 212 L C 0.852 177.681 176.870 -0.069 0.000 0.998 212 L CA -0.857 53.945 54.840 -0.063 0.000 0.817 212 L CB 2.002 44.056 42.059 -0.008 0.000 1.338 212 L HN 0.417 nan 8.230 nan 0.000 0.414 213 A N 0.804 123.566 122.820 -0.096 0.000 2.386 213 A HA 0.278 4.624 4.320 0.044 0.000 0.246 213 A C 0.664 178.241 177.584 -0.012 0.000 1.089 213 A CA 0.003 51.896 52.037 -0.240 0.000 0.790 213 A CB 0.011 18.730 19.000 -0.469 0.000 1.042 213 A HN 0.604 nan 8.150 nan 0.000 0.497 214 F N 0.510 120.298 119.950 -0.271 0.000 2.250 214 F HA -0.161 4.392 4.527 0.044 0.000 0.301 214 F C 2.225 178.003 175.800 -0.036 0.000 1.077 214 F CA 1.896 59.792 58.000 -0.174 0.000 1.348 214 F CB -1.379 37.514 39.000 -0.178 0.000 1.040 214 F HN 0.878 nan 8.300 nan 0.000 0.509 215 H N -2.379 116.748 119.070 0.095 0.000 2.563 215 H HA 0.038 4.620 4.556 0.044 0.000 0.272 215 H C 0.172 175.507 175.328 0.012 0.000 1.005 215 H CA 0.571 56.641 56.048 0.038 0.000 1.171 215 H CB -0.233 29.532 29.762 0.006 0.000 1.351 215 H HN 0.067 nan 8.280 nan 0.000 0.602 216 D N 1.608 122.183 120.400 0.291 0.000 2.427 216 D HA 0.178 4.844 4.640 0.044 0.000 0.224 216 D C -0.582 175.751 176.300 0.055 0.000 1.157 216 D CA 0.059 54.133 54.000 0.124 0.000 0.828 216 D CB 1.116 41.988 40.800 0.119 0.000 0.974 216 D HN 0.173 nan 8.370 nan 0.000 0.498 217 V N 0.976 120.918 119.914 0.046 0.000 2.567 217 V HA 0.312 4.458 4.120 0.044 0.000 0.298 217 V C -0.186 175.886 176.094 -0.037 0.000 1.047 217 V CA -0.923 61.371 62.300 -0.011 0.000 0.880 217 V CB 2.835 34.636 31.823 -0.036 0.000 1.009 217 V HN -0.098 nan 8.190 nan 0.000 0.429 218 R N 3.654 124.119 120.500 -0.059 0.000 2.393 218 R HA 0.774 5.141 4.340 0.044 0.000 0.315 218 R C -1.653 174.572 176.300 -0.124 0.000 0.952 218 R CA -0.385 55.668 56.100 -0.079 0.000 0.842 218 R CB 1.953 32.208 30.300 -0.075 0.000 1.163 218 R HN 0.521 nan 8.270 nan 0.000 0.450 219 V N 4.488 124.327 119.914 -0.125 0.000 2.398 219 V HA 0.321 4.467 4.120 0.044 0.000 0.286 219 V C -0.345 175.652 176.094 -0.162 0.000 1.026 219 V CA -0.558 61.649 62.300 -0.154 0.000 0.868 219 V CB 1.636 33.389 31.823 -0.117 0.000 0.982 219 V HN 0.800 nan 8.190 nan 0.000 0.443 220 E N 4.518 124.570 120.200 -0.246 0.000 2.187 220 E HA 0.659 5.035 4.350 0.044 0.000 0.268 220 E C -0.798 175.747 176.600 -0.091 0.000 0.896 220 E CA -0.828 55.469 56.400 -0.172 0.000 0.766 220 E CB 2.353 31.926 29.700 -0.211 0.000 1.142 220 E HN 0.607 nan 8.360 nan 0.000 0.408 221 M N 2.773 122.354 119.600 -0.031 0.000 2.090 221 M HA 0.334 4.840 4.480 0.044 0.000 0.277 221 M C -0.356 175.955 176.300 0.017 0.000 0.935 221 M CA -0.395 54.907 55.300 0.002 0.000 0.966 221 M CB 1.421 34.014 32.600 -0.012 0.000 1.635 221 M HN 0.338 nan 8.290 nan 0.000 0.446 222 R N 3.402 123.918 120.500 0.027 0.000 2.173 222 R HA 0.387 4.753 4.340 0.044 0.000 0.208 222 R C -0.365 175.953 176.300 0.030 0.000 1.035 222 R CA 1.469 57.581 56.100 0.019 0.000 1.004 222 R CB 0.447 30.744 30.300 -0.006 0.000 0.917 222 R HN 0.789 nan 8.270 nan 0.000 0.462 223 R N -1.510 118.988 120.500 -0.004 0.000 2.833 223 R HA 0.254 4.620 4.340 0.044 0.000 0.259 223 R C -1.632 174.665 176.300 -0.004 0.000 1.047 223 R CA -0.707 55.384 56.100 -0.015 0.000 0.916 223 R CB 0.379 30.629 30.300 -0.084 0.000 1.259 223 R HN 0.028 nan 8.270 nan 0.000 0.482 224 M N 1.119 120.733 119.600 0.024 0.000 2.598 224 M HA 0.443 4.949 4.480 0.044 0.000 0.317 224 M C 0.619 177.006 176.300 0.145 0.000 1.179 224 M CA -0.747 54.583 55.300 0.050 0.000 0.936 224 M CB 2.439 35.002 32.600 -0.062 0.000 1.713 224 M HN 0.928 nan 8.290 nan 0.000 0.460 225 G N 1.314 110.210 108.800 0.160 0.000 3.541 225 G HA2 0.490 4.476 3.960 0.044 0.000 0.253 225 G HA3 0.490 4.476 3.960 0.044 0.000 0.253 225 G C 0.327 175.232 174.900 0.009 0.000 1.017 225 G CA 0.255 45.403 45.100 0.080 0.000 1.832 225 G HN 1.089 nan 8.290 nan 0.000 0.649 226 G N -1.185 107.576 108.800 -0.064 0.000 2.721 226 G HA2 0.352 4.338 3.960 0.044 0.000 0.686 226 G HA3 0.352 4.338 3.960 0.044 0.000 0.686 226 G C 0.571 175.291 174.900 -0.301 0.000 1.236 226 G CA -0.306 44.650 45.100 -0.241 0.000 0.786 226 G HN 1.293 nan 8.290 nan 0.000 0.616 227 G N -0.783 107.621 108.800 -0.661 0.000 2.472 227 G HA2 0.517 4.504 3.960 0.044 0.000 0.212 227 G HA3 0.517 4.504 3.960 0.044 0.000 0.212 227 G C 0.824 175.560 174.900 -0.274 0.000 1.484 227 G CA 0.808 45.681 45.100 -0.379 0.000 0.542 227 G HN 1.729 nan 8.290 nan 0.000 1.118 228 F N 0.772 120.666 119.950 -0.093 0.000 3.093 228 F HA -0.203 4.351 4.527 0.045 0.000 0.283 228 F C 2.019 177.698 175.800 -0.201 0.000 0.848 228 F CA 1.045 58.965 58.000 -0.133 0.000 1.059 228 F CB -1.390 37.499 39.000 -0.185 0.000 1.191 228 F HN 1.106 nan 8.300 nan 0.000 0.514 229 G N -0.998 107.745 108.800 -0.094 0.000 2.349 229 G HA2 -0.216 3.770 3.960 0.044 0.000 0.213 229 G HA3 -0.216 3.770 3.960 0.044 0.000 0.213 229 G C 1.112 175.893 174.900 -0.199 0.000 1.044 229 G CA -0.004 45.074 45.100 -0.038 0.000 0.633 229 G HN 1.187 nan 8.290 nan 0.000 0.506 230 G N 0.219 108.624 108.800 -0.658 0.000 2.708 230 G HA2 0.212 4.198 3.960 0.044 0.000 0.210 230 G HA3 0.212 4.198 3.960 0.044 0.000 0.210 230 G C 1.077 175.783 174.900 -0.324 0.000 1.141 230 G CA 1.418 46.051 45.100 -0.778 0.000 0.788 230 G HN 0.532 nan 8.290 nan 0.000 0.531 231 K N -0.416 119.826 120.400 -0.263 0.000 2.564 231 K HA 0.165 4.512 4.320 0.044 0.000 0.205 231 K C 1.248 177.799 176.600 -0.083 0.000 1.053 231 K CA -0.116 56.049 56.287 -0.203 0.000 1.072 231 K CB 0.735 33.070 32.500 -0.275 0.000 0.822 231 K HN 0.319 nan 8.250 nan 0.000 0.497 232 E N 0.754 120.933 120.200 -0.035 0.000 2.216 232 E HA -0.113 4.263 4.350 0.044 0.000 0.192 232 E C 1.323 177.985 176.600 0.103 0.000 0.988 232 E CA 1.553 57.976 56.400 0.038 0.000 0.834 232 E CB 0.399 30.142 29.700 0.072 0.000 0.772 232 E HN 0.224 nan 8.360 nan 0.000 0.479 233 S N -1.509 114.238 115.700 0.078 0.000 2.699 233 S HA 0.010 4.507 4.470 0.044 0.000 0.277 233 S C 1.026 175.692 174.600 0.109 0.000 1.062 233 S CA -0.614 57.645 58.200 0.100 0.000 1.116 233 S CB -0.148 63.118 63.200 0.109 0.000 0.977 233 S HN 0.125 nan 8.310 nan 0.000 0.498 234 Q N 1.884 121.733 119.800 0.083 0.000 2.362 234 Q HA 0.221 4.587 4.340 0.044 0.000 0.215 234 Q C 1.296 177.344 176.000 0.080 0.000 0.944 234 Q CA 0.790 56.648 55.803 0.092 0.000 0.964 234 Q CB -0.548 28.219 28.738 0.049 0.000 0.998 234 Q HN 0.729 nan 8.270 nan 0.000 0.488 235 G N 0.767 109.605 108.800 0.063 0.000 2.744 235 G HA2 -0.098 3.888 3.960 0.044 0.000 0.211 235 G HA3 -0.098 3.888 3.960 0.044 0.000 0.211 235 G C 1.151 176.103 174.900 0.087 0.000 1.146 235 G CA -0.101 45.005 45.100 0.010 0.000 0.787 235 G HN 0.386 nan 8.290 nan 0.000 0.534 236 N N 0.599 119.400 118.700 0.169 0.000 2.025 236 N HA -0.171 4.595 4.740 0.044 0.000 0.194 236 N C 1.881 177.514 175.510 0.205 0.000 1.044 236 N CA 1.463 54.599 53.050 0.144 0.000 0.851 236 N CB -0.281 38.253 38.487 0.077 0.000 1.036 236 N HN 0.299 nan 8.380 nan 0.000 0.422 237 H N 0.726 119.880 119.070 0.140 0.000 2.353 237 H HA -0.099 4.483 4.556 0.042 0.000 0.298 237 H C 2.074 177.541 175.328 0.231 0.000 1.103 237 H CA 0.967 57.165 56.048 0.250 0.000 1.293 237 H CB -0.704 29.297 29.762 0.399 0.000 1.372 237 H HN 0.166 nan 8.280 nan 0.000 0.501 238 L N 0.061 121.431 121.223 0.244 0.000 2.017 238 L HA -0.123 4.243 4.340 0.044 0.000 0.208 238 L C 2.724 179.603 176.870 0.015 0.000 1.073 238 L CA 1.456 56.312 54.840 0.026 0.000 0.745 238 L CB -0.687 41.259 42.059 -0.188 0.000 0.894 238 L HN 0.352 nan 8.230 nan 0.000 0.432 239 A N -0.084 122.748 122.820 0.020 0.000 1.902 239 A HA -0.157 4.189 4.320 0.044 0.000 0.217 239 A C 2.297 179.885 177.584 0.006 0.000 1.181 239 A CA 1.626 53.659 52.037 -0.006 0.000 0.623 239 A CB -0.774 18.214 19.000 -0.019 0.000 0.818 239 A HN 0.363 nan 8.150 nan 0.000 0.443 240 I N -0.247 120.347 120.570 0.039 0.000 2.226 240 I HA -0.291 3.905 4.170 0.044 0.000 0.245 240 I C 2.937 179.070 176.117 0.027 0.000 1.100 240 I CA 1.128 62.449 61.300 0.035 0.000 1.374 240 I CB -0.299 37.729 38.000 0.047 0.000 1.057 240 I HN 0.363 nan 8.210 nan 0.000 0.413 241 A N -0.303 122.556 122.820 0.064 0.000 1.897 241 A HA -0.201 4.145 4.320 0.044 0.000 0.215 241 A C 2.462 180.001 177.584 -0.074 0.000 1.181 241 A CA 1.521 53.567 52.037 0.015 0.000 0.620 241 A CB -1.198 17.839 19.000 0.061 0.000 0.821 241 A HN 0.516 nan 8.150 nan 0.000 0.443 242 C N -0.979 118.287 119.300 -0.057 0.000 2.413 242 C HA -0.037 4.449 4.460 0.044 0.000 0.276 242 C C 3.346 178.298 174.990 -0.062 0.000 1.236 242 C CA 1.081 60.059 59.018 -0.067 0.000 1.735 242 C CB -1.280 26.425 27.740 -0.058 0.000 2.031 242 C HN 0.694 nan 8.230 nan 0.000 0.474 243 A N -0.367 122.427 122.820 -0.045 0.000 1.902 243 A HA -0.102 4.244 4.320 0.044 0.000 0.217 243 A C 2.303 179.858 177.584 -0.049 0.000 1.181 243 A CA 2.053 54.069 52.037 -0.034 0.000 0.623 243 A CB -0.818 18.170 19.000 -0.019 0.000 0.818 243 A HN 0.359 nan 8.150 nan 0.000 0.443 244 V N -0.110 119.756 119.914 -0.080 0.000 2.287 244 V HA -0.281 3.865 4.120 0.044 0.000 0.248 244 V C 3.074 179.033 176.094 -0.224 0.000 1.053 244 V CA 2.058 64.279 62.300 -0.132 0.000 1.027 244 V CB -1.116 30.606 31.823 -0.168 0.000 0.646 244 V HN 0.628 nan 8.190 nan 0.000 0.447 245 A N -0.337 122.300 122.820 -0.305 0.000 1.933 245 A HA -0.126 4.220 4.320 0.044 0.000 0.218 245 A C 2.343 179.915 177.584 -0.019 0.000 1.175 245 A CA 2.128 54.021 52.037 -0.239 0.000 0.628 245 A CB -0.663 18.261 19.000 -0.128 0.000 0.814 245 A HN 0.603 nan 8.150 nan 0.000 0.444 246 A N -0.574 122.227 122.820 -0.031 0.000 2.016 246 A HA -0.015 4.331 4.320 0.044 0.000 0.217 246 A C 2.143 179.743 177.584 0.027 0.000 1.162 246 A CA 1.421 53.463 52.037 0.008 0.000 0.662 246 A CB -0.400 18.597 19.000 -0.005 0.000 0.812 246 A HN 0.561 nan 8.150 nan 0.000 0.450 247 R N -0.054 120.460 120.500 0.022 0.000 2.073 247 R HA -0.091 4.275 4.340 0.044 0.000 0.234 247 R C 2.185 178.529 176.300 0.074 0.000 1.134 247 R CA 1.656 57.783 56.100 0.047 0.000 0.952 247 R CB -0.404 29.928 30.300 0.053 0.000 0.850 247 R HN 0.390 nan 8.270 nan 0.000 0.433 248 A N -0.357 122.527 122.820 0.107 0.000 1.929 248 A HA -0.104 4.242 4.320 0.044 0.000 0.216 248 A C 2.060 179.733 177.584 0.148 0.000 1.176 248 A CA 1.762 53.900 52.037 0.168 0.000 0.628 248 A CB -0.603 18.598 19.000 0.335 0.000 0.816 248 A HN 0.610 nan 8.150 nan 0.000 0.444 249 T N -4.785 109.855 114.554 0.143 0.000 3.060 249 T HA 0.414 4.790 4.350 0.044 0.000 0.249 249 T C 1.456 176.201 174.700 0.075 0.000 1.079 249 T CA 1.060 63.229 62.100 0.115 0.000 1.013 249 T CB 0.331 69.270 68.868 0.119 0.000 0.975 249 T HN 1.616 nan 8.240 nan 0.000 0.518 250 G N 2.365 111.204 108.800 0.064 0.000 2.179 250 G HA2 -0.271 3.716 3.960 0.044 0.000 0.260 250 G HA3 -0.271 3.716 3.960 0.044 0.000 0.260 250 G C 0.129 175.050 174.900 0.035 0.000 0.977 250 G CA 0.149 45.276 45.100 0.045 0.000 0.641 250 G HN 0.885 nan 8.290 nan 0.000 0.533 251 R N -0.465 120.056 120.500 0.036 0.000 2.888 251 R HA 0.676 5.042 4.340 0.044 0.000 0.266 251 R C -3.219 173.085 176.300 0.007 0.000 1.020 251 R CA -2.431 53.682 56.100 0.021 0.000 0.963 251 R CB 0.904 31.218 30.300 0.023 0.000 1.197 251 R HN 0.036 nan 8.270 nan 0.000 0.481 252 P HA 0.045 nan 4.420 nan 0.000 0.265 252 P C -0.731 176.537 177.300 -0.053 0.000 1.193 252 P CA -0.303 62.781 63.100 -0.026 0.000 0.765 252 P CB 0.455 32.134 31.700 -0.034 0.000 0.823 253 C N 4.047 123.311 119.300 -0.060 0.000 2.498 253 C HA 0.506 4.992 4.460 0.044 0.000 0.316 253 C C 0.245 175.168 174.990 -0.111 0.000 1.209 253 C CA -0.425 58.540 59.018 -0.089 0.000 1.518 253 C CB 1.487 29.197 27.740 -0.050 0.000 2.147 253 C HN 0.531 nan 8.230 nan 0.000 0.483 254 K N 2.402 122.695 120.400 -0.178 0.000 2.221 254 K HA 0.822 5.168 4.320 0.044 0.000 0.243 254 K C -1.179 175.372 176.600 -0.083 0.000 0.968 254 K CA -0.510 55.691 56.287 -0.143 0.000 0.846 254 K CB 1.798 34.165 32.500 -0.220 0.000 1.141 254 K HN 0.822 nan 8.250 nan 0.000 0.434 255 M N 3.550 123.109 119.600 -0.069 0.000 2.284 255 M HA 0.330 4.836 4.480 0.044 0.000 0.281 255 M C -1.851 174.395 176.300 -0.090 0.000 1.083 255 M CA -0.573 54.696 55.300 -0.051 0.000 0.965 255 M CB 1.668 34.195 32.600 -0.122 0.000 1.717 255 M HN 0.719 nan 8.290 nan 0.000 0.479 256 R N 3.585 124.077 120.500 -0.014 0.000 2.744 256 R HA 0.506 4.872 4.340 0.044 0.000 0.279 256 R C -2.162 174.243 176.300 0.176 0.000 0.977 256 R CA -0.732 55.339 56.100 -0.049 0.000 0.906 256 R CB 1.438 31.684 30.300 -0.090 0.000 1.197 256 R HN 0.745 nan 8.270 nan 0.000 0.463 257 Y N 1.429 121.785 120.300 0.094 0.000 2.327 257 Y HA 0.092 4.671 4.550 0.048 0.000 0.336 257 Y C 0.758 176.748 175.900 0.148 0.000 1.035 257 Y CA -0.885 57.294 58.100 0.131 0.000 1.165 257 Y CB 1.314 39.847 38.460 0.120 0.000 1.181 257 Y HN 0.571 nan 8.280 nan 0.000 0.494 258 D N 2.599 123.199 120.400 0.333 0.000 2.423 258 D HA -0.057 4.609 4.640 0.044 0.000 0.238 258 D C 1.189 177.599 176.300 0.183 0.000 1.142 258 D CA 0.170 54.310 54.000 0.233 0.000 0.884 258 D CB 0.929 41.829 40.800 0.166 0.000 1.199 258 D HN 0.637 nan 8.370 nan 0.000 0.438 259 R N 2.167 122.755 120.500 0.147 0.000 2.112 259 R HA -0.225 4.141 4.340 0.044 0.000 0.242 259 R C 1.378 177.764 176.300 0.143 0.000 1.137 259 R CA 2.383 58.562 56.100 0.132 0.000 0.944 259 R CB -0.218 30.156 30.300 0.124 0.000 0.857 259 R HN 0.504 nan 8.270 nan 0.000 0.435 260 D N -0.188 120.304 120.400 0.152 0.000 2.133 260 D HA -0.153 4.513 4.640 0.044 0.000 0.195 260 D C 1.486 177.861 176.300 0.125 0.000 0.997 260 D CA 1.687 55.816 54.000 0.215 0.000 0.840 260 D CB -0.311 40.648 40.800 0.266 0.000 0.947 260 D HN 0.295 nan 8.370 nan 0.000 0.452 261 D N -0.057 120.377 120.400 0.056 0.000 2.097 261 D HA -0.141 4.525 4.640 0.044 0.000 0.195 261 D C 1.682 177.911 176.300 -0.119 0.000 0.989 261 D CA 0.815 54.780 54.000 -0.058 0.000 0.827 261 D CB -0.350 40.392 40.800 -0.098 0.000 0.966 261 D HN 0.155 nan 8.370 nan 0.000 0.456 262 D N 0.122 120.507 120.400 -0.025 0.000 2.106 262 D HA -0.162 4.505 4.640 0.044 0.000 0.191 262 D C 2.039 178.395 176.300 0.093 0.000 0.997 262 D CA 0.955 55.007 54.000 0.086 0.000 0.834 262 D CB -0.087 40.892 40.800 0.298 0.000 0.956 262 D HN 0.183 nan 8.370 nan 0.000 0.448 263 M N -0.032 119.623 119.600 0.093 0.000 2.358 263 M HA -0.126 4.380 4.480 0.044 0.000 0.264 263 M C 2.260 178.604 176.300 0.073 0.000 1.064 263 M CA 0.560 55.905 55.300 0.075 0.000 1.093 263 M CB 0.157 32.805 32.600 0.080 0.000 1.401 263 M HN -0.024 nan 8.290 nan 0.000 0.440 264 V N 0.006 119.955 119.914 0.059 0.000 2.599 264 V HA -0.128 4.018 4.120 0.044 0.000 0.245 264 V C 1.978 178.168 176.094 0.160 0.000 1.046 264 V CA 1.237 63.579 62.300 0.069 0.000 1.065 264 V CB -0.035 31.775 31.823 -0.021 0.000 0.703 264 V HN 0.377 nan 8.190 nan 0.000 0.464 265 I N 0.048 120.675 120.570 0.093 0.000 2.480 265 I HA -0.033 4.163 4.170 0.044 0.000 0.251 265 I C 1.598 177.813 176.117 0.163 0.000 1.124 265 I CA 0.915 62.311 61.300 0.160 0.000 1.444 265 I CB -0.317 37.664 38.000 -0.033 0.000 1.098 265 I HN 0.428 nan 8.210 nan 0.000 0.428 266 T N -0.866 113.773 114.554 0.142 0.000 2.770 266 T HA 0.531 4.908 4.350 0.044 0.000 0.281 266 T C 0.430 175.216 174.700 0.144 0.000 0.981 266 T CA -0.356 61.840 62.100 0.160 0.000 0.955 266 T CB 1.359 70.379 68.868 0.253 0.000 1.060 266 T HN 0.180 nan 8.240 nan 0.000 0.531 267 G N -0.285 108.607 108.800 0.153 0.000 2.568 267 G HA2 0.672 4.658 3.960 0.044 0.000 0.293 267 G HA3 0.672 4.658 3.960 0.044 0.000 0.293 267 G C -1.002 174.014 174.900 0.193 0.000 1.347 267 G CA -1.003 44.170 45.100 0.122 0.000 1.039 267 G HN 0.800 nan 8.290 nan 0.000 0.523 268 K N -1.563 118.915 120.400 0.131 0.000 2.318 268 K HA 0.475 4.821 4.320 0.044 0.000 0.265 268 K C -0.157 176.507 176.600 0.107 0.000 1.055 268 K CA -0.878 55.474 56.287 0.108 0.000 0.896 268 K CB 1.425 33.971 32.500 0.077 0.000 1.479 268 K HN 0.462 nan 8.250 nan 0.000 0.449 269 R N 0.779 121.338 120.500 0.098 0.000 2.679 269 R HA 0.058 4.424 4.340 0.044 0.000 0.268 269 R C -0.692 175.675 176.300 0.112 0.000 1.044 269 R CA 0.015 56.164 56.100 0.082 0.000 1.105 269 R CB 0.164 30.335 30.300 -0.214 0.000 0.989 269 R HN 0.505 nan 8.270 nan 0.000 0.447 270 H N 2.426 121.550 119.070 0.090 0.000 2.955 270 H HA 0.006 4.588 4.556 0.043 0.000 0.290 270 H C -0.326 175.164 175.328 0.271 0.000 1.047 270 H CA 0.296 56.433 56.048 0.148 0.000 1.484 270 H CB 0.224 30.096 29.762 0.184 0.000 1.501 270 H HN 0.510 nan 8.280 nan 0.000 0.521 271 D N 2.969 123.522 120.400 0.255 0.000 2.362 271 D HA 0.101 4.767 4.640 0.044 0.000 0.242 271 D C -0.226 176.230 176.300 0.259 0.000 1.132 271 D CA -0.031 54.138 54.000 0.281 0.000 0.907 271 D CB 1.066 41.977 40.800 0.185 0.000 1.195 271 D HN 0.284 nan 8.370 nan 0.000 0.429 272 F N -0.738 119.209 119.950 -0.004 0.000 2.603 272 F HA 0.420 4.973 4.527 0.043 0.000 0.317 272 F C 0.430 176.170 175.800 -0.100 0.000 1.066 272 F CA -1.220 56.746 58.000 -0.055 0.000 0.941 272 F CB 2.577 41.503 39.000 -0.124 0.000 1.291 272 F HN 0.171 nan 8.300 nan 0.000 0.472 273 R N 3.015 123.555 120.500 0.066 0.000 2.561 273 R HA 0.711 5.077 4.340 0.044 0.000 0.297 273 R C -1.929 174.443 176.300 0.120 0.000 0.969 273 R CA -0.435 55.684 56.100 0.032 0.000 0.879 273 R CB 1.368 31.686 30.300 0.029 0.000 1.178 273 R HN 0.716 nan 8.270 nan 0.000 0.445 274 I N 4.127 124.769 120.570 0.120 0.000 2.468 274 I HA 0.376 4.572 4.170 0.044 0.000 0.285 274 I C -0.539 175.872 176.117 0.491 0.000 1.039 274 I CA -0.773 60.730 61.300 0.338 0.000 1.074 274 I CB 2.073 40.267 38.000 0.323 0.000 1.228 274 I HN 0.515 nan 8.210 nan 0.000 0.436 275 R N 6.375 127.148 120.500 0.454 0.000 2.460 275 R HA 0.622 4.988 4.340 0.044 0.000 0.303 275 R C -1.775 174.761 176.300 0.394 0.000 0.968 275 R CA -0.460 55.830 56.100 0.317 0.000 0.889 275 R CB 1.520 31.934 30.300 0.189 0.000 1.123 275 R HN 0.560 nan 8.270 nan 0.000 0.455 276 Y N -0.228 120.195 120.300 0.204 0.000 2.544 276 Y HA 0.577 5.153 4.550 0.043 0.000 0.342 276 Y C -1.341 174.518 175.900 -0.069 0.000 1.062 276 Y CA -1.347 56.775 58.100 0.037 0.000 1.023 276 Y CB 1.422 39.938 38.460 0.095 0.000 1.308 276 Y HN 0.387 nan 8.280 nan 0.000 0.457 277 R N 3.444 123.926 120.500 -0.029 0.000 2.513 277 R HA 0.728 5.094 4.340 0.044 0.000 0.301 277 R C -1.525 174.722 176.300 -0.088 0.000 0.968 277 R CA -0.773 55.297 56.100 -0.050 0.000 0.872 277 R CB 2.652 32.900 30.300 -0.086 0.000 1.177 277 R HN 0.942 nan 8.270 nan 0.000 0.444 278 I N 0.226 120.767 120.570 -0.047 0.000 2.892 278 I HA 0.837 5.033 4.170 0.044 0.000 0.306 278 I C -0.931 175.131 176.117 -0.092 0.000 1.078 278 I CA -0.602 60.630 61.300 -0.114 0.000 1.032 278 I CB 2.483 40.405 38.000 -0.130 0.000 1.229 278 I HN 0.688 nan 8.210 nan 0.000 0.435 279 G N 3.968 112.715 108.800 -0.088 0.000 2.696 279 G HA2 0.816 4.802 3.960 0.044 0.000 0.295 279 G HA3 0.816 4.802 3.960 0.044 0.000 0.295 279 G C -2.030 172.840 174.900 -0.050 0.000 1.398 279 G CA -0.280 44.784 45.100 -0.060 0.000 0.920 279 G HN 0.956 nan 8.290 nan 0.000 0.492 280 A N 0.782 123.595 122.820 -0.011 0.000 2.566 280 A HA 0.785 5.131 4.320 0.044 0.000 0.292 280 A C -0.352 177.261 177.584 0.049 0.000 1.112 280 A CA -0.548 51.488 52.037 -0.002 0.000 0.707 280 A CB 1.331 20.315 19.000 -0.028 0.000 1.302 280 A HN 0.778 nan 8.150 nan 0.000 0.409 281 D N -0.143 120.277 120.400 0.034 0.000 2.303 281 D HA 0.217 4.883 4.640 0.044 0.000 0.233 281 D C 1.449 177.817 176.300 0.114 0.000 1.313 281 D CA 1.464 55.491 54.000 0.045 0.000 0.883 281 D CB 0.462 41.279 40.800 0.029 0.000 1.220 281 D HN 0.685 nan 8.370 nan 0.000 0.490 282 A N 0.147 123.017 122.820 0.083 0.000 2.067 282 A HA -0.028 4.318 4.320 0.044 0.000 0.217 282 A C 1.890 179.526 177.584 0.087 0.000 1.156 282 A CA 1.333 53.446 52.037 0.126 0.000 0.683 282 A CB -0.365 18.669 19.000 0.056 0.000 0.808 282 A HN 0.465 nan 8.150 nan 0.000 0.455 283 S N -2.455 113.271 115.700 0.043 0.000 2.558 283 S HA 0.402 4.898 4.470 0.044 0.000 0.217 283 S C 1.352 175.947 174.600 -0.009 0.000 0.975 283 S CA 0.983 59.193 58.200 0.016 0.000 0.912 283 S CB 0.128 63.336 63.200 0.013 0.000 0.776 283 S HN 1.714 nan 8.310 nan 0.000 0.526 284 G N 0.861 109.655 108.800 -0.009 0.000 2.184 284 G HA2 -0.163 3.823 3.960 0.044 0.000 0.206 284 G HA3 -0.163 3.823 3.960 0.044 0.000 0.206 284 G C -0.120 174.749 174.900 -0.051 0.000 0.995 284 G CA -0.447 44.620 45.100 -0.054 0.000 0.651 284 G HN 0.373 nan 8.290 nan 0.000 0.511 285 K N 1.004 121.393 120.400 -0.019 0.000 2.322 285 K HA 0.421 4.767 4.320 0.044 0.000 0.283 285 K C 1.128 177.710 176.600 -0.031 0.000 1.042 285 K CA -0.411 55.869 56.287 -0.011 0.000 0.958 285 K CB 1.144 33.661 32.500 0.028 0.000 0.984 285 K HN 0.342 nan 8.250 nan 0.000 0.473 286 L N 3.744 124.932 121.223 -0.057 0.000 2.514 286 L HA -0.077 4.289 4.340 0.044 0.000 0.280 286 L C 1.652 178.474 176.870 -0.081 0.000 1.223 286 L CA 0.132 54.919 54.840 -0.087 0.000 0.864 286 L CB 0.126 42.115 42.059 -0.117 0.000 1.118 286 L HN 0.529 nan 8.230 nan 0.000 0.494 287 L N 1.689 122.867 121.223 -0.075 0.000 2.433 287 L HA 0.372 4.738 4.340 0.044 0.000 0.200 287 L C 0.864 177.683 176.870 -0.084 0.000 1.059 287 L CA 0.413 55.214 54.840 -0.066 0.000 0.835 287 L CB 0.251 42.285 42.059 -0.042 0.000 1.076 287 L HN 0.761 nan 8.230 nan 0.000 0.481 288 G N -0.901 107.847 108.800 -0.086 0.000 2.608 288 G HA2 0.701 4.687 3.960 0.044 0.000 0.291 288 G HA3 0.701 4.687 3.960 0.044 0.000 0.291 288 G C -2.127 172.711 174.900 -0.104 0.000 1.425 288 G CA 0.104 45.152 45.100 -0.086 0.000 0.787 288 G HN 0.076 nan 8.290 nan 0.000 0.484 289 A N 0.180 122.932 122.820 -0.112 0.000 2.488 289 A HA 0.694 5.040 4.320 0.044 0.000 0.295 289 A C -1.952 175.465 177.584 -0.277 0.000 1.045 289 A CA -0.463 51.436 52.037 -0.230 0.000 0.703 289 A CB 2.211 21.084 19.000 -0.213 0.000 1.271 289 A HN 0.732 nan 8.150 nan 0.000 0.400 290 D N 1.129 121.314 120.400 -0.357 0.000 2.375 290 D HA 0.724 5.390 4.640 0.044 0.000 0.247 290 D C -1.392 174.743 176.300 -0.276 0.000 1.061 290 D CA 0.009 53.887 54.000 -0.203 0.000 0.834 290 D CB 0.701 41.448 40.800 -0.089 0.000 1.247 290 D HN 0.255 nan 8.370 nan 0.000 0.489 291 F N 2.172 122.163 119.950 0.069 0.000 2.540 291 F HA 0.537 5.091 4.527 0.044 0.000 0.317 291 F C -0.333 175.504 175.800 0.061 0.000 1.104 291 F CA -1.002 57.060 58.000 0.105 0.000 0.913 291 F CB 2.223 41.248 39.000 0.040 0.000 1.170 291 F HN 0.015 nan 8.300 nan 0.000 0.450 292 V N 2.585 122.729 119.914 0.384 0.000 2.540 292 V HA 0.349 4.495 4.120 0.044 0.000 0.302 292 V C -0.865 175.484 176.094 0.425 0.000 1.035 292 V CA -0.699 61.771 62.300 0.284 0.000 0.873 292 V CB 1.905 33.871 31.823 0.239 0.000 0.992 292 V HN 0.719 nan 8.190 nan 0.000 0.428 293 H N 5.353 124.571 119.070 0.247 0.000 2.595 293 H HA 0.536 5.118 4.556 0.044 0.000 0.313 293 H C -0.863 174.543 175.328 0.130 0.000 1.023 293 H CA -0.742 55.448 56.048 0.236 0.000 1.218 293 H CB 1.400 31.317 29.762 0.259 0.000 1.403 293 H HN 0.423 nan 8.280 nan 0.000 0.477 294 L N 2.936 124.250 121.223 0.151 0.000 2.289 294 L HA 0.630 4.996 4.340 0.044 0.000 0.285 294 L C 0.010 176.705 176.870 -0.290 0.000 1.049 294 L CA -0.702 54.129 54.840 -0.015 0.000 0.804 294 L CB 1.357 43.392 42.059 -0.041 0.000 1.195 294 L HN 0.563 nan 8.230 nan 0.000 0.428 295 A N 3.470 126.061 122.820 -0.381 0.000 2.359 295 A HA 0.530 4.876 4.320 0.044 0.000 0.303 295 A C -0.735 176.710 177.584 -0.233 0.000 1.066 295 A CA -0.687 50.954 52.037 -0.660 0.000 0.730 295 A CB 1.379 19.764 19.000 -1.026 0.000 1.211 295 A HN 0.696 nan 8.150 nan 0.000 0.439 296 R N 2.483 122.887 120.500 -0.160 0.000 2.220 296 R HA 0.292 4.658 4.340 0.044 0.000 0.340 296 R C -0.242 176.027 176.300 -0.051 0.000 1.076 296 R CA -0.101 55.944 56.100 -0.091 0.000 0.920 296 R CB 0.353 30.585 30.300 -0.114 0.000 1.062 296 R HN 0.853 nan 8.270 nan 0.000 0.469 297 C N 2.495 121.815 119.300 0.033 0.000 2.912 297 C HA 0.365 4.851 4.460 0.044 0.000 0.274 297 C C 1.107 176.081 174.990 -0.028 0.000 1.248 297 C CA 0.282 59.316 59.018 0.028 0.000 1.694 297 C CB -0.758 27.138 27.740 0.260 0.000 2.024 297 C HN 1.048 nan 8.230 nan 0.000 0.605 298 G N 0.760 109.569 108.800 0.015 0.000 2.631 298 G HA2 -0.165 3.821 3.960 0.044 0.000 0.504 298 G HA3 -0.165 3.821 3.960 0.044 0.000 0.504 298 G C 0.154 175.174 174.900 0.199 0.000 1.306 298 G CA -0.051 45.069 45.100 0.034 0.000 0.897 298 G HN 0.584 nan 8.290 nan 0.000 0.520 299 W N 0.528 121.816 121.300 -0.019 0.000 2.961 299 W HA 0.423 5.109 4.660 0.042 0.000 0.240 299 W C 0.602 177.241 176.519 0.199 0.000 1.305 299 W CA 1.067 58.458 57.345 0.077 0.000 1.465 299 W CB -1.411 28.105 29.460 0.093 0.000 1.135 299 W HN 1.585 nan 8.180 nan 0.000 0.688 300 S N -1.535 114.034 115.700 -0.217 0.000 2.565 300 S HA 0.628 5.124 4.470 0.044 0.000 0.269 300 S C 0.717 174.965 174.600 -0.586 0.000 1.153 300 S CA -0.131 57.839 58.200 -0.385 0.000 0.835 300 S CB 1.348 63.817 63.200 -1.218 0.000 1.122 300 S HN 0.126 nan 8.310 nan 0.000 0.462 301 A N 1.704 124.060 122.820 -0.774 0.000 1.892 301 A HA 0.001 4.347 4.320 0.044 0.000 0.218 301 A C 1.261 178.535 177.584 -0.516 0.000 1.188 301 A CA 2.413 53.876 52.037 -0.957 0.000 0.631 301 A CB -2.038 16.582 19.000 -0.633 0.000 0.822 301 A HN 1.348 nan 8.150 nan 0.000 0.447 302 D N -1.774 118.419 120.400 -0.346 0.000 3.698 302 D HA -0.257 4.409 4.640 0.044 0.000 0.157 302 D C 0.437 176.679 176.300 -0.097 0.000 0.888 302 D CA 2.529 56.426 54.000 -0.170 0.000 0.917 302 D CB -0.865 39.866 40.800 -0.114 0.000 0.441 302 D HN 0.231 nan 8.370 nan 0.000 0.390 303 L N 0.251 121.463 121.223 -0.018 0.000 2.872 303 L HA 0.275 4.641 4.340 0.044 0.000 0.245 303 L C 1.795 178.593 176.870 -0.120 0.000 1.211 303 L CA -0.104 54.733 54.840 -0.005 0.000 1.013 303 L CB 0.255 42.386 42.059 0.119 0.000 1.326 303 L HN 0.150 nan 8.230 nan 0.000 0.525 304 S N 0.800 116.432 115.700 -0.115 0.000 2.380 304 S HA -0.259 4.237 4.470 0.044 0.000 0.229 304 S C 1.878 176.355 174.600 -0.204 0.000 1.043 304 S CA 1.645 59.733 58.200 -0.188 0.000 1.038 304 S CB -0.189 62.971 63.200 -0.065 0.000 0.872 304 S HN 0.489 nan 8.310 nan 0.000 0.456 305 L N 1.921 123.068 121.223 -0.128 0.000 1.955 305 L HA -0.103 4.263 4.340 0.044 0.000 0.213 305 L C -1.038 175.830 176.870 -0.003 0.000 1.072 305 L CA 1.773 56.581 54.840 -0.053 0.000 0.755 305 L CB -1.179 40.866 42.059 -0.023 0.000 0.888 305 L HN 0.218 nan 8.230 nan 0.000 0.432 306 P HA -0.119 nan 4.420 nan 0.000 0.216 306 P C 1.938 179.245 177.300 0.012 0.000 1.153 306 P CA 1.273 64.488 63.100 0.191 0.000 0.848 306 P CB 0.009 31.967 31.700 0.431 0.000 0.787 307 V N -0.007 119.651 119.914 -0.426 0.000 2.219 307 V HA -0.339 3.807 4.120 0.044 0.000 0.248 307 V C 2.569 178.519 176.094 -0.240 0.000 1.053 307 V CA 2.409 64.311 62.300 -0.663 0.000 1.009 307 V CB -1.701 29.595 31.823 -0.879 0.000 0.636 307 V HN 0.195 nan 8.190 nan 0.000 0.445 308 C N 0.100 119.286 119.300 -0.190 0.000 2.401 308 C HA -0.196 4.290 4.460 0.044 0.000 0.276 308 C C 2.526 177.538 174.990 0.038 0.000 1.233 308 C CA 0.939 59.950 59.018 -0.012 0.000 1.753 308 C CB -1.326 26.394 27.740 -0.032 0.000 2.029 308 C HN 0.627 nan 8.230 nan 0.000 0.478 309 D N 0.169 120.609 120.400 0.067 0.000 2.133 309 D HA -0.175 4.491 4.640 0.044 0.000 0.195 309 D C 2.259 178.687 176.300 0.214 0.000 0.997 309 D CA 1.233 55.349 54.000 0.193 0.000 0.840 309 D CB -0.534 40.493 40.800 0.379 0.000 0.947 309 D HN 0.524 nan 8.370 nan 0.000 0.452 310 R N 0.333 120.947 120.500 0.190 0.000 2.115 310 R HA -0.053 4.313 4.340 0.044 0.000 0.230 310 R C 2.090 178.531 176.300 0.236 0.000 1.111 310 R CA 1.239 57.477 56.100 0.230 0.000 0.976 310 R CB -0.052 30.400 30.300 0.254 0.000 0.870 310 R HN 0.127 nan 8.270 nan 0.000 0.445 311 A N 0.814 123.711 122.820 0.127 0.000 1.873 311 A HA -0.153 4.193 4.320 0.044 0.000 0.215 311 A C 2.186 179.917 177.584 0.246 0.000 1.186 311 A CA 1.336 53.441 52.037 0.112 0.000 0.616 311 A CB -0.396 18.577 19.000 -0.045 0.000 0.823 311 A HN 0.283 nan 8.150 nan 0.000 0.442 312 M N -1.107 118.611 119.600 0.196 0.000 2.073 312 M HA -0.180 4.327 4.480 0.044 0.000 0.258 312 M C 2.064 178.574 176.300 0.349 0.000 1.070 312 M CA 1.359 56.731 55.300 0.120 0.000 1.103 312 M CB -0.667 31.715 32.600 -0.364 0.000 1.321 312 M HN 0.339 nan 8.290 nan 0.000 0.405 313 L N -0.233 121.168 121.223 0.296 0.000 2.151 313 L HA -0.237 4.129 4.340 0.044 0.000 0.215 313 L C 1.757 178.647 176.870 0.034 0.000 1.084 313 L CA 2.069 56.942 54.840 0.055 0.000 0.764 313 L CB -1.179 40.787 42.059 -0.154 0.000 0.891 313 L HN 0.356 nan 8.230 nan 0.000 0.435 314 H N -2.377 116.804 119.070 0.185 0.000 2.542 314 H HA 0.390 4.972 4.556 0.044 0.000 0.283 314 H C 1.713 177.124 175.328 0.138 0.000 1.059 314 H CA 0.452 56.599 56.048 0.164 0.000 1.162 314 H CB 0.046 29.821 29.762 0.021 0.000 1.539 314 H HN 0.202 nan 8.280 nan 0.000 0.543 315 A N 1.052 123.986 122.820 0.190 0.000 2.292 315 A HA -0.138 4.208 4.320 0.044 0.000 0.209 315 A C 1.181 178.744 177.584 -0.034 0.000 1.209 315 A CA 1.447 53.434 52.037 -0.083 0.000 0.746 315 A CB -0.314 18.517 19.000 -0.281 0.000 0.764 315 A HN 0.534 nan 8.150 nan 0.000 0.492 316 D N -2.271 118.221 120.400 0.154 0.000 2.398 316 D HA 0.280 4.946 4.640 0.044 0.000 0.210 316 D C 1.200 177.643 176.300 0.239 0.000 1.094 316 D CA 0.761 54.883 54.000 0.202 0.000 0.839 316 D CB -0.744 40.249 40.800 0.323 0.000 0.963 316 D HN 0.510 nan 8.370 nan 0.000 0.506 317 G N 1.281 110.198 108.800 0.195 0.000 2.651 317 G HA2 -0.340 3.646 3.960 0.044 0.000 0.315 317 G HA3 -0.340 3.646 3.960 0.044 0.000 0.315 317 G C 0.621 175.473 174.900 -0.080 0.000 1.258 317 G CA 0.743 45.915 45.100 0.120 0.000 1.002 317 G HN 0.340 nan 8.290 nan 0.000 0.551 318 S N 0.836 116.174 115.700 -0.603 0.000 2.574 318 S HA 0.506 5.002 4.470 0.044 0.000 0.242 318 S C -0.661 173.449 174.600 -0.815 0.000 0.982 318 S CA 0.072 57.880 58.200 -0.654 0.000 0.977 318 S CB -0.023 62.728 63.200 -0.749 0.000 0.814 318 S HN 0.448 nan 8.310 nan 0.000 0.464 319 Y N -0.018 120.301 120.300 0.032 0.000 2.485 319 Y HA 0.555 5.131 4.550 0.044 0.000 0.345 319 Y C -0.341 175.270 175.900 -0.481 0.000 0.998 319 Y CA -1.893 56.107 58.100 -0.167 0.000 1.059 319 Y CB 0.599 39.053 38.460 -0.011 0.000 1.234 319 Y HN 0.138 nan 8.280 nan 0.000 0.461 320 F N 2.824 122.399 119.950 -0.625 0.000 2.456 320 F HA 0.561 5.114 4.527 0.043 0.000 0.358 320 F C -0.876 174.880 175.800 -0.074 0.000 1.095 320 F CA -0.764 56.959 58.000 -0.462 0.000 1.216 320 F CB 0.418 39.246 39.000 -0.286 0.000 1.125 320 F HN 0.188 nan 8.300 nan 0.000 0.549 321 V N 9.247 128.667 119.914 -0.824 0.000 2.488 321 V HA 0.213 4.359 4.120 0.044 0.000 0.293 321 V C -1.800 173.882 176.094 -0.688 0.000 1.027 321 V CA -1.217 60.711 62.300 -0.619 0.000 0.862 321 V CB 1.590 33.291 31.823 -0.203 0.000 1.008 321 V HN 0.650 nan 8.190 nan 0.000 0.428 322 P HA -0.063 nan 4.420 nan 0.000 0.217 322 P C 0.283 177.499 177.300 -0.140 0.000 1.148 322 P CA 1.403 64.291 63.100 -0.354 0.000 0.828 322 P CB 0.378 31.972 31.700 -0.177 0.000 0.783 323 A N -1.048 121.706 122.820 -0.110 0.000 2.486 323 A HA 0.762 5.108 4.320 0.044 0.000 0.300 323 A C -1.614 175.962 177.584 -0.012 0.000 1.048 323 A CA -0.594 51.428 52.037 -0.024 0.000 0.696 323 A CB 1.092 20.084 19.000 -0.013 0.000 1.278 323 A HN 0.087 nan 8.150 nan 0.000 0.405 324 L N 1.530 122.783 121.223 0.050 0.000 2.666 324 L HA 0.686 5.052 4.340 0.044 0.000 0.259 324 L C -1.110 175.841 176.870 0.135 0.000 0.919 324 L CA -0.443 54.436 54.840 0.066 0.000 0.927 324 L CB 1.605 43.689 42.059 0.041 0.000 1.423 324 L HN 0.978 nan 8.230 nan 0.000 0.426 325 R N 4.731 125.313 120.500 0.136 0.000 2.807 325 R HA 0.855 5.221 4.340 0.044 0.000 0.276 325 R C -1.886 174.520 176.300 0.176 0.000 0.979 325 R CA -0.637 55.562 56.100 0.165 0.000 0.928 325 R CB 2.068 32.434 30.300 0.109 0.000 1.191 325 R HN 0.706 nan 8.270 nan 0.000 0.471 326 I N 1.780 122.427 120.570 0.128 0.000 2.644 326 I HA 0.258 4.454 4.170 0.044 0.000 0.291 326 I C -1.047 175.017 176.117 -0.088 0.000 1.180 326 I CA -0.608 60.695 61.300 0.005 0.000 1.040 326 I CB 2.315 40.262 38.000 -0.089 0.000 1.255 326 I HN 0.630 nan 8.210 nan 0.000 0.422 327 E N 4.690 124.840 120.200 -0.083 0.000 2.165 327 E HA 0.466 4.842 4.350 0.044 0.000 0.266 327 E C -1.334 175.175 176.600 -0.151 0.000 0.889 327 E CA -0.395 55.931 56.400 -0.123 0.000 0.756 327 E CB 1.836 31.523 29.700 -0.022 0.000 1.131 327 E HN 0.527 nan 8.360 nan 0.000 0.411 328 S N 5.292 120.837 115.700 -0.259 0.000 2.594 328 S HA 0.271 4.767 4.470 0.044 0.000 0.322 328 S C -0.943 173.539 174.600 -0.197 0.000 1.085 328 S CA -0.714 57.402 58.200 -0.140 0.000 1.116 328 S CB 0.358 63.458 63.200 -0.167 0.000 0.979 328 S HN 0.552 nan 8.310 nan 0.000 0.465 329 H N 4.835 123.899 119.070 -0.011 0.000 2.527 329 H HA 0.376 4.958 4.556 0.043 0.000 0.321 329 H C 0.020 175.324 175.328 -0.041 0.000 1.087 329 H CA -0.653 55.381 56.048 -0.023 0.000 1.337 329 H CB 0.774 30.523 29.762 -0.021 0.000 1.440 329 H HN 0.520 nan 8.280 nan 0.000 0.490 330 R N 4.162 124.715 120.500 0.089 0.000 2.272 330 R HA 0.323 4.690 4.340 0.044 0.000 0.323 330 R C -0.449 175.931 176.300 0.134 0.000 1.002 330 R CA -0.613 55.540 56.100 0.088 0.000 0.900 330 R CB 0.312 30.672 30.300 0.099 0.000 1.151 330 R HN 0.449 nan 8.270 nan 0.000 0.507 331 L N 2.418 123.680 121.223 0.066 0.000 2.312 331 L HA 0.514 4.880 4.340 0.044 0.000 0.281 331 L C 0.837 177.693 176.870 -0.023 0.000 1.070 331 L CA -0.750 54.087 54.840 -0.004 0.000 0.805 331 L CB 0.984 43.019 42.059 -0.041 0.000 1.174 331 L HN 0.361 nan 8.230 nan 0.000 0.434 332 R N 1.800 122.185 120.500 -0.191 0.000 2.457 332 R HA 0.649 5.015 4.340 0.044 0.000 0.284 332 R C -0.792 175.440 176.300 -0.114 0.000 1.024 332 R CA -0.136 55.818 56.100 -0.243 0.000 1.025 332 R CB 1.360 31.229 30.300 -0.718 0.000 1.063 332 R HN 0.870 nan 8.270 nan 0.000 0.493 333 T N -0.081 114.455 114.554 -0.030 0.000 2.821 333 T HA 0.219 4.595 4.350 0.044 0.000 0.306 333 T C -0.612 174.110 174.700 0.037 0.000 1.313 333 T CA -1.062 61.016 62.100 -0.037 0.000 1.012 333 T CB 1.190 69.992 68.868 -0.109 0.000 1.298 333 T HN 0.589 nan 8.240 nan 0.000 0.502 334 N N 1.631 120.345 118.700 0.023 0.000 3.243 334 N HA 0.390 5.156 4.740 0.044 0.000 0.310 334 N C -0.050 175.488 175.510 0.048 0.000 1.313 334 N CA -0.158 52.951 53.050 0.099 0.000 1.204 334 N CB 0.142 38.666 38.487 0.063 0.000 1.483 334 N HN 0.816 nan 8.380 nan 0.000 0.553 335 T N -3.506 111.049 114.554 0.001 0.000 2.778 335 T HA 0.363 4.739 4.350 0.044 0.000 0.293 335 T C -0.240 174.372 174.700 -0.146 0.000 1.144 335 T CA -1.051 60.981 62.100 -0.113 0.000 1.010 335 T CB 0.814 69.394 68.868 -0.480 0.000 1.325 335 T HN -0.163 nan 8.240 nan 0.000 0.515 336 Q N 1.477 121.187 119.800 -0.150 0.000 2.310 336 Q HA 0.278 4.644 4.340 0.044 0.000 0.315 336 Q C 0.267 176.179 176.000 -0.146 0.000 1.081 336 Q CA 0.400 56.051 55.803 -0.254 0.000 0.981 336 Q CB 0.284 29.055 28.738 0.054 0.000 1.184 336 Q HN 0.702 nan 8.270 nan 0.000 0.389 337 S N 3.700 119.315 115.700 -0.142 0.000 2.423 337 S HA 0.112 4.608 4.470 0.044 0.000 0.302 337 S C -0.136 174.373 174.600 -0.152 0.000 1.143 337 S CA -0.782 57.303 58.200 -0.192 0.000 1.080 337 S CB -0.225 62.733 63.200 -0.402 0.000 1.081 337 S HN 0.474 nan 8.310 nan 0.000 0.522 338 N N 3.147 121.706 118.700 -0.236 0.000 2.340 338 N HA 0.264 5.031 4.740 0.044 0.000 0.236 338 N C 0.412 175.859 175.510 -0.105 0.000 1.296 338 N CA 0.119 52.980 53.050 -0.315 0.000 0.896 338 N CB 0.930 38.922 38.487 -0.825 0.000 1.127 338 N HN 0.667 nan 8.380 nan 0.000 0.442 339 T N -1.544 113.079 114.554 0.115 0.000 2.627 339 T HA 0.593 4.969 4.350 0.044 0.000 0.294 339 T C -1.359 173.513 174.700 0.285 0.000 1.230 339 T CA -0.401 61.834 62.100 0.225 0.000 1.084 339 T CB 0.130 69.115 68.868 0.195 0.000 1.693 339 T HN 0.515 nan 8.240 nan 0.000 0.465 340 A N 0.891 123.883 122.820 0.287 0.000 2.445 340 A HA 0.652 4.998 4.320 0.044 0.000 0.242 340 A C -0.820 177.048 177.584 0.474 0.000 1.075 340 A CA 0.043 52.308 52.037 0.381 0.000 0.777 340 A CB -0.473 18.802 19.000 0.459 0.000 1.013 340 A HN 0.725 nan 8.150 nan 0.000 0.493 341 F N 1.181 121.277 119.950 0.243 0.000 2.651 341 F HA 0.403 4.957 4.527 0.046 0.000 0.329 341 F C 0.321 176.073 175.800 -0.080 0.000 1.186 341 F CA -0.995 57.102 58.000 0.162 0.000 1.046 341 F CB 1.178 40.152 39.000 -0.044 0.000 1.296 341 F HN 0.818 nan 8.300 nan 0.000 0.497 342 R N 4.037 124.748 120.500 0.351 0.000 4.180 342 R HA 0.008 4.374 4.340 0.044 0.000 0.125 342 R C 0.995 177.062 176.300 -0.387 0.000 0.390 342 R CA 2.135 58.242 56.100 0.012 0.000 0.811 342 R CB -0.607 29.720 30.300 0.045 0.000 1.084 342 R HN 1.221 nan 8.270 nan 0.000 0.234 343 G N 3.599 112.279 108.800 -0.201 0.000 2.307 343 G HA2 -0.311 3.675 3.960 0.044 0.000 0.210 343 G HA3 -0.311 3.675 3.960 0.044 0.000 0.210 343 G C 0.176 175.140 174.900 0.106 0.000 1.005 343 G CA -0.155 44.856 45.100 -0.148 0.000 0.634 343 G HN 0.831 nan 8.290 nan 0.000 0.496 344 F N 1.015 120.898 119.950 -0.111 0.000 2.526 344 F HA 0.072 4.625 4.527 0.043 0.000 0.225 344 F C 1.846 177.595 175.800 -0.086 0.000 1.031 344 F CA 2.602 60.573 58.000 -0.049 0.000 0.915 344 F CB -0.971 38.020 39.000 -0.016 0.000 0.952 344 F HN 1.998 nan 8.300 nan 0.000 0.834 345 G N 0.944 109.638 108.800 -0.178 0.000 2.377 345 G HA2 -0.350 3.636 3.960 0.044 0.000 0.250 345 G HA3 -0.350 3.636 3.960 0.044 0.000 0.250 345 G C 1.585 176.353 174.900 -0.219 0.000 1.039 345 G CA 0.865 45.833 45.100 -0.219 0.000 0.625 345 G HN 1.634 nan 8.290 nan 0.000 0.526 346 G N 1.683 110.380 108.800 -0.172 0.000 2.440 346 G HA2 0.043 4.029 3.960 0.044 0.000 0.218 346 G HA3 0.043 4.029 3.960 0.044 0.000 0.218 346 G C 0.125 174.914 174.900 -0.184 0.000 1.154 346 G CA 2.048 46.954 45.100 -0.323 0.000 0.767 346 G HN 0.573 nan 8.290 nan 0.000 0.552 347 P HA -0.049 nan 4.420 nan 0.000 0.214 347 P C 1.797 179.099 177.300 0.004 0.000 1.162 347 P CA 1.301 64.416 63.100 0.024 0.000 0.879 347 P CB -0.025 31.654 31.700 -0.034 0.000 0.786 348 Q N -0.434 119.249 119.800 -0.195 0.000 2.077 348 Q HA -0.126 4.240 4.340 0.044 0.000 0.206 348 Q C 2.425 178.171 176.000 -0.423 0.000 0.989 348 Q CA 2.181 57.733 55.803 -0.417 0.000 0.853 348 Q CB -1.815 26.193 28.738 -1.216 0.000 0.907 348 Q HN 0.248 nan 8.270 nan 0.000 0.418 349 G N 0.249 108.824 108.800 -0.374 0.000 2.440 349 G HA2 -0.234 3.752 3.960 0.044 0.000 0.218 349 G HA3 -0.234 3.752 3.960 0.044 0.000 0.218 349 G C 1.479 176.342 174.900 -0.062 0.000 1.154 349 G CA 0.959 45.951 45.100 -0.179 0.000 0.767 349 G HN 0.469 nan 8.290 nan 0.000 0.552 350 A N 0.088 122.913 122.820 0.008 0.000 1.968 350 A HA 0.179 4.525 4.320 0.044 0.000 0.217 350 A C 2.287 179.924 177.584 0.088 0.000 1.169 350 A CA 1.442 53.527 52.037 0.080 0.000 0.638 350 A CB -0.305 18.762 19.000 0.113 0.000 0.812 350 A HN 0.411 nan 8.150 nan 0.000 0.446 351 L N 0.269 121.534 121.223 0.071 0.000 2.141 351 L HA 0.012 4.378 4.340 0.044 0.000 0.209 351 L C 2.292 179.262 176.870 0.168 0.000 1.094 351 L CA 2.006 56.911 54.840 0.109 0.000 0.763 351 L CB -1.102 40.993 42.059 0.060 0.000 0.908 351 L HN 0.290 nan 8.230 nan 0.000 0.437 352 G N -0.332 108.539 108.800 0.118 0.000 2.446 352 G HA2 -0.371 3.615 3.960 0.044 0.000 0.217 352 G HA3 -0.371 3.615 3.960 0.044 0.000 0.217 352 G C 1.562 176.569 174.900 0.179 0.000 1.168 352 G CA 1.181 46.405 45.100 0.207 0.000 0.771 352 G HN 0.473 nan 8.290 nan 0.000 0.551 353 M N 0.391 120.042 119.600 0.085 0.000 2.200 353 M HA 0.141 4.647 4.480 0.044 0.000 0.265 353 M C 2.138 178.546 176.300 0.180 0.000 1.066 353 M CA 1.405 56.852 55.300 0.245 0.000 1.127 353 M CB -0.182 32.584 32.600 0.277 0.000 1.379 353 M HN 0.075 nan 8.290 nan 0.000 0.420 354 E N 0.237 120.539 120.200 0.170 0.000 2.204 354 E HA -0.181 4.195 4.350 0.044 0.000 0.195 354 E C 2.154 178.768 176.600 0.022 0.000 0.990 354 E CA 0.745 57.231 56.400 0.143 0.000 0.821 354 E CB -0.418 29.384 29.700 0.168 0.000 0.750 354 E HN 0.491 nan 8.360 nan 0.000 0.477 355 R N 0.651 121.117 120.500 -0.057 0.000 2.061 355 R HA -0.006 4.360 4.340 0.044 0.000 0.230 355 R C 2.238 178.373 176.300 -0.275 0.000 1.140 355 R CA 1.268 57.224 56.100 -0.240 0.000 0.940 355 R CB -0.678 29.244 30.300 -0.631 0.000 0.839 355 R HN 0.147 nan 8.270 nan 0.000 0.429 356 A N 1.264 123.815 122.820 -0.448 0.000 1.873 356 A HA -0.210 4.136 4.320 0.044 0.000 0.218 356 A C 2.351 179.816 177.584 -0.198 0.000 1.193 356 A CA 1.774 53.475 52.037 -0.560 0.000 0.629 356 A CB -0.829 17.831 19.000 -0.567 0.000 0.826 356 A HN 0.402 nan 8.150 nan 0.000 0.447 357 I N -0.752 119.734 120.570 -0.139 0.000 2.423 357 I HA -0.260 3.936 4.170 0.044 0.000 0.254 357 I C 2.382 178.435 176.117 -0.107 0.000 1.151 357 I CA 2.009 63.215 61.300 -0.157 0.000 1.421 357 I CB -0.067 37.777 38.000 -0.260 0.000 1.079 357 I HN 0.572 nan 8.210 nan 0.000 0.431 358 E N -0.144 120.016 120.200 -0.068 0.000 2.072 358 E HA -0.316 4.060 4.350 0.044 0.000 0.191 358 E C 2.226 178.851 176.600 0.041 0.000 0.985 358 E CA 1.338 57.725 56.400 -0.021 0.000 0.801 358 E CB -0.183 29.469 29.700 -0.079 0.000 0.750 358 E HN 0.492 nan 8.360 nan 0.000 0.452 359 H N 0.111 119.099 119.070 -0.136 0.000 2.352 359 H HA -0.124 4.458 4.556 0.044 0.000 0.299 359 H C 1.986 177.170 175.328 -0.239 0.000 1.097 359 H CA 1.661 57.522 56.048 -0.313 0.000 1.311 359 H CB -0.502 29.065 29.762 -0.325 0.000 1.377 359 H HN 0.299 nan 8.280 nan 0.000 0.504 360 L N 0.522 121.683 121.223 -0.103 0.000 1.994 360 L HA -0.080 4.286 4.340 0.044 0.000 0.208 360 L C 2.589 179.377 176.870 -0.136 0.000 1.071 360 L CA 2.227 56.968 54.840 -0.165 0.000 0.745 360 L CB -1.300 40.668 42.059 -0.153 0.000 0.892 360 L HN 0.284 nan 8.230 nan 0.000 0.431 361 A N -0.368 122.394 122.820 -0.096 0.000 1.892 361 A HA -0.244 4.102 4.320 0.044 0.000 0.218 361 A C 2.323 179.883 177.584 -0.040 0.000 1.188 361 A CA 1.923 53.913 52.037 -0.078 0.000 0.631 361 A CB -0.610 18.366 19.000 -0.041 0.000 0.822 361 A HN 0.483 nan 8.150 nan 0.000 0.447 362 R N -0.751 119.768 120.500 0.031 0.000 2.096 362 R HA -0.106 4.260 4.340 0.044 0.000 0.235 362 R C 2.378 178.687 176.300 0.015 0.000 1.127 362 R CA 1.276 57.427 56.100 0.085 0.000 0.968 362 R CB -1.595 28.852 30.300 0.244 0.000 0.861 362 R HN 0.551 nan 8.270 nan 0.000 0.440 363 G N 1.757 110.526 108.800 -0.052 0.000 2.450 363 G HA2 -0.240 3.746 3.960 0.044 0.000 0.220 363 G HA3 -0.240 3.746 3.960 0.044 0.000 0.220 363 G C 1.349 176.202 174.900 -0.078 0.000 1.130 363 G CA 1.027 46.072 45.100 -0.090 0.000 0.760 363 G HN 0.442 nan 8.290 nan 0.000 0.557 364 M N -0.968 118.550 119.600 -0.136 0.000 2.560 364 M HA 0.529 5.035 4.480 0.044 0.000 0.297 364 M C 1.268 177.495 176.300 -0.122 0.000 1.201 364 M CA 0.246 55.427 55.300 -0.200 0.000 0.973 364 M CB 0.499 32.752 32.600 -0.578 0.000 1.401 364 M HN 0.175 nan 8.290 nan 0.000 0.497 365 G N 1.994 110.756 108.800 -0.063 0.000 2.233 365 G HA2 -0.277 3.709 3.960 0.044 0.000 0.270 365 G HA3 -0.277 3.709 3.960 0.044 0.000 0.270 365 G C 0.073 174.946 174.900 -0.045 0.000 1.011 365 G CA 0.462 45.541 45.100 -0.035 0.000 0.762 365 G HN 0.627 nan 8.290 nan 0.000 0.511 366 R N -0.183 120.276 120.500 -0.067 0.000 2.674 366 R HA 0.438 4.805 4.340 0.044 0.000 0.266 366 R C -0.469 175.812 176.300 -0.031 0.000 1.016 366 R CA -0.568 55.495 56.100 -0.062 0.000 1.062 366 R CB 0.594 30.835 30.300 -0.099 0.000 1.142 366 R HN 0.204 nan 8.270 nan 0.000 0.517 367 D N 2.327 122.713 120.400 -0.022 0.000 2.317 367 D HA 0.117 4.783 4.640 0.044 0.000 0.252 367 D C -1.779 174.526 176.300 0.009 0.000 1.174 367 D CA -2.031 51.971 54.000 0.004 0.000 0.866 367 D CB 1.508 42.311 40.800 0.006 0.000 1.127 367 D HN 0.139 nan 8.370 nan 0.000 0.467 368 P HA -0.216 nan 4.420 nan 0.000 0.216 368 P C 1.052 178.367 177.300 0.025 0.000 1.154 368 P CA 2.093 65.208 63.100 0.024 0.000 0.865 368 P CB 0.059 31.803 31.700 0.073 0.000 0.789 369 A N -0.398 122.474 122.820 0.088 0.000 1.978 369 A HA -0.220 4.126 4.320 0.044 0.000 0.220 369 A C 2.139 179.733 177.584 0.016 0.000 1.170 369 A CA 1.654 53.754 52.037 0.106 0.000 0.636 369 A CB -0.892 18.259 19.000 0.252 0.000 0.810 369 A HN 0.099 nan 8.150 nan 0.000 0.448 370 E N -0.657 119.540 120.200 -0.005 0.000 2.086 370 E HA -0.054 4.322 4.350 0.044 0.000 0.190 370 E C 1.923 178.454 176.600 -0.116 0.000 0.975 370 E CA 0.509 56.877 56.400 -0.053 0.000 0.813 370 E CB -0.667 29.015 29.700 -0.031 0.000 0.768 370 E HN 0.446 nan 8.360 nan 0.000 0.457 371 L N 1.734 122.892 121.223 -0.108 0.000 1.978 371 L HA -0.241 4.125 4.340 0.044 0.000 0.218 371 L C 2.309 179.039 176.870 -0.233 0.000 1.075 371 L CA 1.933 56.679 54.840 -0.156 0.000 0.767 371 L CB -0.367 41.602 42.059 -0.150 0.000 0.890 371 L HN 0.017 nan 8.230 nan 0.000 0.434 372 R N -1.045 119.319 120.500 -0.227 0.000 2.070 372 R HA -0.148 4.218 4.340 0.044 0.000 0.233 372 R C 2.192 178.076 176.300 -0.694 0.000 1.137 372 R CA 1.408 57.335 56.100 -0.287 0.000 0.945 372 R CB -0.920 29.400 30.300 0.033 0.000 0.845 372 R HN 0.508 nan 8.270 nan 0.000 0.430 373 A N 1.480 123.896 122.820 -0.674 0.000 1.927 373 A HA -0.210 4.136 4.320 0.044 0.000 0.220 373 A C 2.135 179.326 177.584 -0.656 0.000 1.185 373 A CA 1.467 52.971 52.037 -0.888 0.000 0.639 373 A CB -0.580 18.249 19.000 -0.285 0.000 0.820 373 A HN 0.271 nan 8.150 nan 0.000 0.451 374 L N -0.434 120.580 121.223 -0.348 0.000 2.362 374 L HA -0.035 4.331 4.340 0.044 0.000 0.219 374 L C 1.227 178.035 176.870 -0.103 0.000 1.134 374 L CA 1.425 56.163 54.840 -0.170 0.000 0.807 374 L CB -0.166 41.824 42.059 -0.116 0.000 0.927 374 L HN 0.420 nan 8.230 nan 0.000 0.447 375 N N -1.792 116.840 118.700 -0.114 0.000 2.177 375 N HA 0.123 4.889 4.740 0.044 0.000 0.218 375 N C -0.163 175.537 175.510 0.317 0.000 1.182 375 N CA -0.137 52.966 53.050 0.088 0.000 0.882 375 N CB 0.431 38.931 38.487 0.021 0.000 1.052 375 N HN 0.196 nan 8.380 nan 0.000 0.519 376 F N 1.063 121.142 119.950 0.216 0.000 2.545 376 F HA 0.024 4.577 4.527 0.044 0.000 0.348 376 F C 1.072 176.907 175.800 0.059 0.000 1.163 376 F CA -0.749 57.322 58.000 0.119 0.000 1.331 376 F CB 0.353 39.411 39.000 0.096 0.000 1.138 376 F HN 0.001 nan 8.300 nan 0.000 0.602 377 Y N 1.235 121.715 120.300 0.300 0.000 2.812 377 Y HA -0.155 4.421 4.550 0.044 0.000 0.348 377 Y C 0.816 176.775 175.900 0.098 0.000 1.274 377 Y CA 0.043 58.236 58.100 0.155 0.000 1.489 377 Y CB 0.094 38.594 38.460 0.067 0.000 1.348 377 Y HN 0.429 nan 8.280 nan 0.000 0.646 378 D N 2.551 123.066 120.400 0.191 0.000 2.283 378 D HA 0.213 4.879 4.640 0.044 0.000 0.248 378 D C -2.064 174.279 176.300 0.072 0.000 1.072 378 D CA -1.188 52.870 54.000 0.096 0.000 0.929 378 D CB 0.791 41.607 40.800 0.027 0.000 1.182 378 D HN 0.241 nan 8.370 nan 0.000 0.433 379 P HA 0.189 nan 4.420 nan 0.000 0.280 379 P C -2.506 174.803 177.300 0.015 0.000 1.278 379 P CA -0.707 62.404 63.100 0.018 0.000 0.787 379 P CB -0.427 31.291 31.700 0.030 0.000 1.163 380 P HA 0.448 nan 4.420 nan 0.000 0.287 380 P C -0.930 176.381 177.300 0.018 0.000 1.279 380 P CA -0.112 62.997 63.100 0.016 0.000 0.867 380 P CB 0.527 32.240 31.700 0.022 0.000 1.127 399 K N 0.497 120.893 120.400 -0.007 0.000 5.891 399 K HA -0.170 4.176 4.320 0.044 0.000 0.634 399 K C -1.490 175.092 176.600 -0.030 0.000 1.783 399 K CA 1.224 57.503 56.287 -0.013 0.000 1.472 399 K CB -2.229 30.267 32.500 -0.007 0.000 1.821 399 K HN 0.674 nan 8.250 nan 0.000 0.303 400 T N 4.278 118.815 114.554 -0.029 0.000 2.902 400 T HA 0.277 4.653 4.350 0.044 0.000 0.283 400 T C 0.417 175.079 174.700 -0.063 0.000 1.009 400 T CA -0.732 61.343 62.100 -0.043 0.000 1.051 400 T CB 1.199 70.054 68.868 -0.021 0.000 0.999 400 T HN 0.485 nan 8.240 nan 0.000 0.474 401 Q N 1.188 120.921 119.800 -0.112 0.000 2.524 401 Q HA 0.429 4.795 4.340 0.044 0.000 0.246 401 Q C 0.548 176.550 176.000 0.003 0.000 1.063 401 Q CA -0.283 55.426 55.803 -0.155 0.000 0.945 401 Q CB 0.407 28.939 28.738 -0.344 0.000 1.292 401 Q HN 0.811 nan 8.270 nan 0.000 0.518 402 T N -3.060 111.580 114.554 0.143 0.000 2.887 402 T HA 0.524 4.900 4.350 0.044 0.000 0.292 402 T C 0.042 174.876 174.700 0.224 0.000 1.087 402 T CA -0.804 61.346 62.100 0.083 0.000 1.009 402 T CB 1.510 70.403 68.868 0.043 0.000 1.203 402 T HN 0.686 nan 8.240 nan 0.000 0.518 403 T N -1.161 113.360 114.554 -0.054 0.000 2.788 403 T HA 0.231 4.607 4.350 0.044 0.000 0.280 403 T C 1.336 176.036 174.700 0.001 0.000 0.984 403 T CA -0.289 61.803 62.100 -0.014 0.000 0.972 403 T CB 0.133 68.614 68.868 -0.645 0.000 1.039 403 T HN 0.923 nan 8.240 nan 0.000 0.530 404 H N -0.144 118.991 119.070 0.109 0.000 2.563 404 H HA 0.017 4.599 4.556 0.043 0.000 0.272 404 H C 0.675 176.119 175.328 0.193 0.000 1.005 404 H CA 0.456 56.610 56.048 0.177 0.000 1.171 404 H CB -1.080 28.843 29.762 0.267 0.000 1.351 404 H HN 0.926 nan 8.280 nan 0.000 0.602 405 Y N -1.730 118.384 120.300 -0.309 0.000 2.584 405 Y HA 0.511 5.087 4.550 0.044 0.000 0.254 405 Y C 1.311 177.128 175.900 -0.139 0.000 1.177 405 Y CA -0.821 57.102 58.100 -0.296 0.000 1.216 405 Y CB 0.148 38.341 38.460 -0.445 0.000 1.172 405 Y HN 0.141 nan 8.280 nan 0.000 0.529 406 G N 1.771 110.447 108.800 -0.206 0.000 2.324 406 G HA2 -0.323 3.663 3.960 0.044 0.000 0.292 406 G HA3 -0.323 3.663 3.960 0.044 0.000 0.292 406 G C -0.381 174.419 174.900 -0.168 0.000 1.079 406 G CA 0.435 45.459 45.100 -0.126 0.000 1.026 406 G HN 0.708 nan 8.290 nan 0.000 0.506 407 Q N -0.032 119.579 119.800 -0.316 0.000 2.325 407 Q HA 0.567 4.933 4.340 0.044 0.000 0.270 407 Q C 0.205 176.127 176.000 -0.129 0.000 1.020 407 Q CA -0.792 54.895 55.803 -0.194 0.000 0.785 407 Q CB 1.131 29.737 28.738 -0.220 0.000 1.259 407 Q HN 0.498 nan 8.270 nan 0.000 0.452 408 E N 1.743 121.913 120.200 -0.050 0.000 2.442 408 E HA 0.072 4.448 4.350 0.044 0.000 0.262 408 E C -0.800 175.792 176.600 -0.014 0.000 1.004 408 E CA 0.019 56.399 56.400 -0.033 0.000 0.928 408 E CB 1.013 30.708 29.700 -0.007 0.000 0.937 408 E HN 0.389 nan 8.360 nan 0.000 0.446 409 V N 2.938 122.800 119.914 -0.088 0.000 2.294 409 V HA 0.263 4.409 4.120 0.044 0.000 0.272 409 V C 0.460 176.540 176.094 -0.024 0.000 1.027 409 V CA -0.001 62.229 62.300 -0.117 0.000 0.823 409 V CB 0.876 32.341 31.823 -0.596 0.000 1.030 409 V HN 0.816 nan 8.190 nan 0.000 0.457 410 A N 3.549 126.413 122.820 0.074 0.000 2.470 410 A HA 0.318 4.664 4.320 0.044 0.000 0.251 410 A C 0.818 178.448 177.584 0.077 0.000 1.245 410 A CA 0.288 52.361 52.037 0.059 0.000 0.932 410 A CB 0.013 19.051 19.000 0.064 0.000 1.037 410 A HN 0.784 nan 8.150 nan 0.000 0.522 411 D N -2.139 118.330 120.400 0.115 0.000 2.651 411 D HA 0.060 4.726 4.640 0.044 0.000 0.280 411 D C -0.119 176.146 176.300 -0.058 0.000 1.496 411 D CA -0.269 53.787 54.000 0.094 0.000 0.792 411 D CB -1.421 39.501 40.800 0.202 0.000 1.144 411 D HN 0.070 nan 8.370 nan 0.000 0.470 412 C N 2.032 121.244 119.300 -0.145 0.000 2.520 412 C HA 0.435 4.921 4.460 0.044 0.000 0.369 412 C C 1.522 176.191 174.990 -0.535 0.000 1.244 412 C CA -0.295 58.389 59.018 -0.558 0.000 1.677 412 C CB -0.873 26.781 27.740 -0.144 0.000 2.324 412 C HN 0.329 nan 8.230 nan 0.000 0.557 413 V N 6.109 125.544 119.914 -0.797 0.000 3.249 413 V HA 0.180 4.326 4.120 0.044 0.000 0.338 413 V C 1.494 177.229 176.094 -0.599 0.000 1.363 413 V CA 0.433 62.441 62.300 -0.487 0.000 1.205 413 V CB -1.044 30.565 31.823 -0.356 0.000 1.164 413 V HN 0.914 nan 8.190 nan 0.000 0.458 414 L N 1.397 122.234 121.223 -0.643 0.000 1.990 414 L HA -0.090 4.276 4.340 0.044 0.000 0.213 414 L C 2.831 179.521 176.870 -0.300 0.000 1.072 414 L CA 2.275 56.750 54.840 -0.609 0.000 0.755 414 L CB -1.136 40.343 42.059 -0.966 0.000 0.889 414 L HN 0.538 nan 8.230 nan 0.000 0.432 415 G N -0.637 108.138 108.800 -0.042 0.000 2.672 415 G HA2 -0.361 3.625 3.960 0.044 0.000 0.218 415 G HA3 -0.361 3.625 3.960 0.044 0.000 0.218 415 G C 1.394 176.334 174.900 0.067 0.000 1.238 415 G CA 1.081 46.287 45.100 0.177 0.000 0.791 415 G HN 0.408 nan 8.290 nan 0.000 0.606 416 E N -0.231 119.979 120.200 0.017 0.000 2.065 416 E HA -0.169 4.207 4.350 0.044 0.000 0.201 416 E C 2.529 179.141 176.600 0.020 0.000 1.016 416 E CA 1.288 57.737 56.400 0.083 0.000 0.818 416 E CB -0.237 29.595 29.700 0.219 0.000 0.749 416 E HN 0.425 nan 8.360 nan 0.000 0.453 417 L N 0.312 121.353 121.223 -0.302 0.000 1.976 417 L HA -0.206 4.160 4.340 0.044 0.000 0.209 417 L C 2.473 179.259 176.870 -0.140 0.000 1.071 417 L CA 1.193 55.779 54.840 -0.423 0.000 0.746 417 L CB -0.300 41.211 42.059 -0.913 0.000 0.890 417 L HN 0.015 nan 8.230 nan 0.000 0.432 418 V N -0.124 119.728 119.914 -0.103 0.000 2.252 418 V HA -0.384 3.762 4.120 0.044 0.000 0.249 418 V C 2.556 178.674 176.094 0.040 0.000 1.056 418 V CA 2.506 64.810 62.300 0.007 0.000 1.022 418 V CB -1.129 30.796 31.823 0.170 0.000 0.641 418 V HN 0.586 nan 8.190 nan 0.000 0.445 419 T N -0.464 114.136 114.554 0.077 0.000 2.624 419 T HA -0.340 4.036 4.350 0.044 0.000 0.268 419 T C 2.034 176.785 174.700 0.085 0.000 1.041 419 T CA 2.310 64.463 62.100 0.089 0.000 1.159 419 T CB -0.375 68.551 68.868 0.098 0.000 0.863 419 T HN 0.448 nan 8.240 nan 0.000 0.434 420 R N 0.245 120.804 120.500 0.098 0.000 2.127 420 R HA -0.085 4.281 4.340 0.044 0.000 0.238 420 R C 2.368 178.719 176.300 0.085 0.000 1.134 420 R CA 1.208 57.377 56.100 0.117 0.000 0.975 420 R CB -0.384 30.034 30.300 0.197 0.000 0.865 420 R HN 0.320 nan 8.270 nan 0.000 0.447 421 L N 0.949 122.204 121.223 0.052 0.000 2.044 421 L HA -0.096 4.270 4.340 0.044 0.000 0.205 421 L C 2.088 178.962 176.870 0.007 0.000 1.075 421 L CA 1.667 56.520 54.840 0.022 0.000 0.747 421 L CB -0.439 41.608 42.059 -0.019 0.000 0.903 421 L HN 0.196 nan 8.230 nan 0.000 0.435 422 Q N -0.451 119.346 119.800 -0.003 0.000 2.112 422 Q HA -0.296 4.070 4.340 0.044 0.000 0.206 422 Q C 2.198 178.277 176.000 0.132 0.000 0.987 422 Q CA 2.306 58.135 55.803 0.044 0.000 0.858 422 Q CB -0.106 28.703 28.738 0.118 0.000 0.905 422 Q HN 0.475 nan 8.270 nan 0.000 0.420 423 K N -0.177 120.284 120.400 0.102 0.000 2.076 423 K HA -0.056 4.291 4.320 0.044 0.000 0.204 423 K C 2.250 178.900 176.600 0.083 0.000 1.051 423 K CA 1.251 57.596 56.287 0.098 0.000 0.949 423 K CB 0.041 32.591 32.500 0.084 0.000 0.726 423 K HN 0.146 nan 8.250 nan 0.000 0.443 424 S N 0.082 115.825 115.700 0.072 0.000 2.481 424 S HA 0.006 4.503 4.470 0.044 0.000 0.231 424 S C 1.760 176.396 174.600 0.061 0.000 0.996 424 S CA 0.757 58.994 58.200 0.061 0.000 0.942 424 S CB 0.145 63.381 63.200 0.059 0.000 0.768 424 S HN 0.212 nan 8.310 nan 0.000 0.520 425 A N 0.747 123.610 122.820 0.072 0.000 2.348 425 A HA 0.461 4.807 4.320 0.044 0.000 0.224 425 A C 0.769 178.422 177.584 0.115 0.000 1.227 425 A CA 0.020 52.103 52.037 0.077 0.000 0.885 425 A CB -0.776 18.258 19.000 0.056 0.000 0.933 425 A HN 0.585 nan 8.150 nan 0.000 0.506 426 N N -2.458 116.315 118.700 0.121 0.000 2.754 426 N HA -0.234 4.532 4.740 0.044 0.000 0.248 426 N C 0.323 175.935 175.510 0.170 0.000 1.093 426 N CA 0.697 53.816 53.050 0.115 0.000 0.699 426 N CB -1.546 36.986 38.487 0.076 0.000 1.016 426 N HN 0.452 nan 8.380 nan 0.000 0.552 427 F N 0.511 120.474 119.950 0.022 0.000 2.027 427 F HA -0.249 4.305 4.527 0.044 0.000 0.297 427 F C 2.428 178.239 175.800 0.017 0.000 1.129 427 F CA 2.411 60.424 58.000 0.021 0.000 1.195 427 F CB -1.082 37.937 39.000 0.031 0.000 0.960 427 F HN 0.215 nan 8.300 nan 0.000 0.485 428 T N -0.575 113.924 114.554 -0.092 0.000 2.607 428 T HA -0.237 4.139 4.350 0.044 0.000 0.267 428 T C 1.979 176.595 174.700 -0.140 0.000 1.049 428 T CA 2.428 64.405 62.100 -0.205 0.000 1.162 428 T CB -0.907 67.926 68.868 -0.059 0.000 0.863 428 T HN 0.318 nan 8.240 nan 0.000 0.424 429 T N 1.593 116.116 114.554 -0.052 0.000 2.653 429 T HA -0.142 4.234 4.350 0.044 0.000 0.268 429 T C 2.152 176.822 174.700 -0.050 0.000 1.035 429 T CA 1.206 63.285 62.100 -0.035 0.000 1.154 429 T CB -0.230 68.636 68.868 -0.003 0.000 0.862 429 T HN 0.306 nan 8.240 nan 0.000 0.441 430 R N 0.200 120.674 120.500 -0.044 0.000 2.120 430 R HA -0.018 4.348 4.340 0.044 0.000 0.234 430 R C 2.635 178.876 176.300 -0.098 0.000 1.123 430 R CA 1.080 57.153 56.100 -0.044 0.000 0.975 430 R CB -0.216 30.091 30.300 0.011 0.000 0.866 430 R HN 0.292 nan 8.270 nan 0.000 0.446 431 R N 0.410 120.790 120.500 -0.199 0.000 2.075 431 R HA -0.093 4.273 4.340 0.044 0.000 0.232 431 R C 2.202 178.432 176.300 -0.116 0.000 1.126 431 R CA 1.525 57.491 56.100 -0.223 0.000 0.963 431 R CB -0.207 29.853 30.300 -0.400 0.000 0.858 431 R HN 0.201 nan 8.270 nan 0.000 0.435 432 A N 0.726 123.489 122.820 -0.095 0.000 1.845 432 A HA -0.207 4.139 4.320 0.044 0.000 0.215 432 A C 1.928 179.505 177.584 -0.012 0.000 1.195 432 A CA 1.709 53.718 52.037 -0.047 0.000 0.616 432 A CB -0.677 18.299 19.000 -0.040 0.000 0.832 432 A HN 0.453 nan 8.150 nan 0.000 0.443 433 E N -0.425 119.769 120.200 -0.010 0.000 2.136 433 E HA -0.245 4.131 4.350 0.044 0.000 0.202 433 E C 1.834 178.465 176.600 0.053 0.000 1.019 433 E CA 1.690 58.102 56.400 0.020 0.000 0.819 433 E CB -0.367 29.333 29.700 -0.001 0.000 0.739 433 E HN 0.712 nan 8.360 nan 0.000 0.458 434 I N 0.378 120.956 120.570 0.013 0.000 2.226 434 I HA -0.272 3.924 4.170 0.044 0.000 0.245 434 I C 2.472 178.656 176.117 0.112 0.000 1.100 434 I CA 0.847 62.172 61.300 0.041 0.000 1.374 434 I CB -0.301 37.685 38.000 -0.024 0.000 1.057 434 I HN 0.132 nan 8.210 nan 0.000 0.413 435 A N 0.861 123.714 122.820 0.055 0.000 1.877 435 A HA -0.187 4.159 4.320 0.044 0.000 0.216 435 A C 2.557 180.185 177.584 0.073 0.000 1.186 435 A CA 1.948 54.014 52.037 0.049 0.000 0.620 435 A CB -0.899 18.107 19.000 0.011 0.000 0.822 435 A HN 0.422 nan 8.150 nan 0.000 0.443 436 A N -1.425 121.440 122.820 0.076 0.000 1.841 436 A HA -0.211 4.135 4.320 0.044 0.000 0.216 436 A C 2.014 179.666 177.584 0.113 0.000 1.199 436 A CA 1.696 53.775 52.037 0.070 0.000 0.621 436 A CB -1.261 17.780 19.000 0.067 0.000 0.835 436 A HN 0.835 nan 8.150 nan 0.000 0.445 437 W N 1.306 122.592 121.300 -0.023 0.000 2.304 437 W HA -0.278 4.409 4.660 0.044 0.000 0.315 437 W C 1.940 178.445 176.519 -0.024 0.000 1.233 437 W CA 2.378 59.711 57.345 -0.021 0.000 1.261 437 W CB -0.243 29.205 29.460 -0.020 0.000 1.150 437 W HN 0.391 nan 8.180 nan 0.000 0.494 438 N N -0.156 118.717 118.700 0.289 0.000 2.223 438 N HA -0.181 4.585 4.740 0.044 0.000 0.185 438 N C 1.889 177.378 175.510 -0.035 0.000 1.016 438 N CA 1.965 55.103 53.050 0.148 0.000 0.863 438 N CB -1.001 37.572 38.487 0.144 0.000 0.983 438 N HN 0.331 nan 8.380 nan 0.000 0.429 439 S N -1.248 114.435 115.700 -0.029 0.000 2.481 439 S HA 0.010 4.506 4.470 0.044 0.000 0.231 439 S C 1.398 175.936 174.600 -0.103 0.000 0.996 439 S CA 0.759 58.926 58.200 -0.055 0.000 0.942 439 S CB -0.229 62.953 63.200 -0.030 0.000 0.768 439 S HN 0.121 nan 8.310 nan 0.000 0.520 440 T N 1.705 116.157 114.554 -0.171 0.000 3.163 440 T HA 0.330 4.706 4.350 0.044 0.000 0.252 440 T C -0.212 174.305 174.700 -0.305 0.000 1.056 440 T CA -0.276 61.694 62.100 -0.218 0.000 0.947 440 T CB -0.423 68.288 68.868 -0.262 0.000 1.016 440 T HN 0.460 nan 8.240 nan 0.000 0.554 441 N N 0.978 119.490 118.700 -0.313 0.000 2.249 441 N HA 0.350 5.116 4.740 0.044 0.000 0.296 441 N C 0.720 176.110 175.510 -0.199 0.000 1.051 441 N CA -0.751 52.082 53.050 -0.361 0.000 0.815 441 N CB 1.630 39.726 38.487 -0.652 0.000 1.487 441 N HN 0.075 nan 8.380 nan 0.000 0.475 442 R N 0.655 121.065 120.500 -0.150 0.000 2.476 442 R HA 0.247 4.613 4.340 0.044 0.000 0.276 442 R C -0.326 175.937 176.300 -0.063 0.000 0.941 442 R CA 0.184 56.230 56.100 -0.089 0.000 1.088 442 R CB 0.301 30.557 30.300 -0.073 0.000 1.216 442 R HN 0.410 nan 8.270 nan 0.000 0.533 443 T N 0.583 115.098 114.554 -0.066 0.000 2.999 443 T HA 0.351 4.727 4.350 0.044 0.000 0.247 443 T C 0.523 175.225 174.700 0.003 0.000 1.012 443 T CA 0.083 62.165 62.100 -0.030 0.000 1.048 443 T CB 0.344 69.195 68.868 -0.028 0.000 1.020 443 T HN -0.004 nan 8.240 nan 0.000 0.478 444 L N 1.008 122.244 121.223 0.021 0.000 2.334 444 L HA 0.865 5.231 4.340 0.044 0.000 0.270 444 L C -0.631 176.363 176.870 0.208 0.000 1.018 444 L CA -1.244 53.681 54.840 0.141 0.000 0.811 444 L CB 1.607 43.853 42.059 0.313 0.000 1.271 444 L HN 0.069 nan 8.230 nan 0.000 0.443 445 A N 1.642 124.616 122.820 0.257 0.000 2.488 445 A HA 0.653 4.999 4.320 0.044 0.000 0.295 445 A C -1.073 176.614 177.584 0.173 0.000 1.045 445 A CA -0.705 51.490 52.037 0.262 0.000 0.703 445 A CB 1.617 20.677 19.000 0.100 0.000 1.271 445 A HN 0.710 nan 8.150 nan 0.000 0.400 446 R N 0.497 121.082 120.500 0.142 0.000 2.536 446 R HA 0.702 5.068 4.340 0.044 0.000 0.279 446 R C 0.123 176.407 176.300 -0.027 0.000 1.001 446 R CA -0.281 55.784 56.100 -0.059 0.000 1.027 446 R CB 2.143 32.283 30.300 -0.267 0.000 1.096 446 R HN 0.900 nan 8.270 nan 0.000 0.502 447 G N 1.238 110.009 108.800 -0.050 0.000 2.620 447 G HA2 0.624 4.610 3.960 0.044 0.000 0.301 447 G HA3 0.624 4.610 3.960 0.044 0.000 0.301 447 G C -1.472 173.422 174.900 -0.010 0.000 1.347 447 G CA -0.483 44.598 45.100 -0.031 0.000 0.971 447 G HN 0.487 nan 8.290 nan 0.000 0.488 448 I N 0.426 121.015 120.570 0.031 0.000 2.769 448 I HA 0.802 4.999 4.170 0.044 0.000 0.298 448 I C -0.706 175.509 176.117 0.164 0.000 1.128 448 I CA -1.050 60.305 61.300 0.091 0.000 1.031 448 I CB 2.234 40.302 38.000 0.115 0.000 1.235 448 I HN 0.808 nan 8.210 nan 0.000 0.423 449 A N 6.438 129.365 122.820 0.177 0.000 2.594 449 A HA 0.687 5.033 4.320 0.044 0.000 0.295 449 A C -2.138 175.515 177.584 0.116 0.000 1.071 449 A CA -0.520 51.626 52.037 0.182 0.000 0.685 449 A CB 1.844 20.926 19.000 0.136 0.000 1.285 449 A HN 0.704 nan 8.150 nan 0.000 0.405 450 L N 1.698 122.970 121.223 0.082 0.000 2.322 450 L HA 0.871 5.237 4.340 0.044 0.000 0.281 450 L C -0.151 176.759 176.870 0.067 0.000 1.014 450 L CA 0.131 54.946 54.840 -0.042 0.000 0.815 450 L CB 1.917 43.863 42.059 -0.187 0.000 1.247 450 L HN 0.997 nan 8.230 nan 0.000 0.421 451 S N 6.300 122.046 115.700 0.078 0.000 2.547 451 S HA 0.810 5.306 4.470 0.044 0.000 0.281 451 S C -3.103 171.570 174.600 0.122 0.000 1.118 451 S CA -1.024 57.256 58.200 0.133 0.000 0.947 451 S CB 2.297 65.577 63.200 0.134 0.000 1.053 451 S HN 0.603 nan 8.310 nan 0.000 0.482 452 P HA 0.673 nan 4.420 nan 0.000 0.289 452 P C -1.388 175.937 177.300 0.043 0.000 1.302 452 P CA -0.818 62.319 63.100 0.062 0.000 0.923 452 P CB 1.878 33.599 31.700 0.035 0.000 1.238 453 V N 1.189 121.103 119.914 0.000 0.000 2.638 453 V HA 0.493 4.640 4.120 0.044 0.000 0.306 453 V C -0.115 175.932 176.094 -0.080 0.000 1.052 453 V CA -0.504 61.805 62.300 0.014 0.000 0.885 453 V CB 2.002 33.873 31.823 0.079 0.000 0.999 453 V HN 0.685 nan 8.190 nan 0.000 0.424 454 K N 4.402 124.739 120.400 -0.106 0.000 2.471 454 K HA 0.695 5.041 4.320 0.044 0.000 0.252 454 K C -2.153 174.429 176.600 -0.030 0.000 0.938 454 K CA -0.483 55.588 56.287 -0.360 0.000 0.796 454 K CB 2.049 34.267 32.500 -0.471 0.000 1.161 454 K HN 0.486 nan 8.250 nan 0.000 0.425 455 F N 2.383 122.220 119.950 -0.187 0.000 2.557 455 F HA 0.499 5.052 4.527 0.043 0.000 0.316 455 F C 0.034 175.759 175.800 -0.125 0.000 1.141 455 F CA -0.366 57.611 58.000 -0.039 0.000 0.922 455 F CB 1.956 40.869 39.000 -0.144 0.000 1.194 455 F HN 0.773 nan 8.300 nan 0.000 0.443 456 G N 5.866 114.325 108.800 -0.568 0.000 2.442 456 G HA2 0.436 4.422 3.960 0.044 0.000 0.249 456 G HA3 0.436 4.422 3.960 0.044 0.000 0.249 456 G C -0.970 173.182 174.900 -1.248 0.000 1.263 456 G CA -0.357 43.790 45.100 -1.587 0.000 0.846 456 G HN 0.449 nan 8.290 nan 0.000 0.555 457 I N 1.005 120.980 120.570 -0.992 0.000 2.382 457 I HA 0.591 4.787 4.170 0.044 0.000 0.286 457 I C 0.210 176.101 176.117 -0.375 0.000 1.002 457 I CA -0.451 60.472 61.300 -0.629 0.000 1.135 457 I CB 0.547 37.995 38.000 -0.920 0.000 1.288 457 I HN 0.510 nan 8.210 nan 0.000 0.448 458 S N 4.537 120.105 115.700 -0.220 0.000 2.884 458 S HA 0.154 4.650 4.470 0.044 0.000 0.258 458 S C -0.743 173.824 174.600 -0.055 0.000 0.705 458 S CA -0.907 57.252 58.200 -0.070 0.000 0.984 458 S CB 0.005 63.231 63.200 0.044 0.000 1.233 458 S HN 0.274 nan 8.310 nan 0.000 0.542 459 F N 2.156 122.068 119.950 -0.063 0.000 2.553 459 F HA 0.151 4.703 4.527 0.043 0.000 0.356 459 F C 2.275 178.061 175.800 -0.023 0.000 1.142 459 F CA 1.067 59.017 58.000 -0.083 0.000 1.322 459 F CB 0.681 39.611 39.000 -0.117 0.000 1.126 459 F HN 0.732 nan 8.300 nan 0.000 0.599 460 T N -0.115 114.563 114.554 0.207 0.000 3.100 460 T HA 0.069 4.445 4.350 0.044 0.000 0.253 460 T C 0.579 175.499 174.700 0.366 0.000 1.118 460 T CA 0.075 62.276 62.100 0.169 0.000 1.058 460 T CB 0.083 69.075 68.868 0.206 0.000 0.953 460 T HN 0.232 nan 8.240 nan 0.000 0.515 461 L N 3.696 125.073 121.223 0.256 0.000 2.475 461 L HA 0.398 4.764 4.340 0.044 0.000 0.253 461 L C 1.136 177.982 176.870 -0.039 0.000 1.137 461 L CA 0.051 54.969 54.840 0.130 0.000 1.058 461 L CB -0.900 41.178 42.059 0.032 0.000 1.382 461 L HN 0.235 nan 8.230 nan 0.000 0.416 462 T N 0.786 115.414 114.554 0.123 0.000 2.693 462 T HA -0.315 4.061 4.350 0.044 0.000 0.263 462 T C 1.584 176.278 174.700 -0.011 0.000 1.046 462 T CA 2.442 64.594 62.100 0.086 0.000 1.160 462 T CB -0.580 68.390 68.868 0.170 0.000 0.853 462 T HN 0.711 nan 8.240 nan 0.000 0.462 463 H N 1.270 120.365 119.070 0.041 0.000 2.567 463 H HA 0.141 4.723 4.556 0.043 0.000 0.276 463 H C 1.907 177.206 175.328 -0.049 0.000 1.016 463 H CA 0.493 56.548 56.048 0.011 0.000 1.186 463 H CB -0.770 29.000 29.762 0.013 0.000 1.351 463 H HN 0.370 nan 8.280 nan 0.000 0.605 464 L N 0.955 121.871 121.223 -0.512 0.000 2.395 464 L HA -0.044 4.322 4.340 0.044 0.000 0.218 464 L C 0.550 177.201 176.870 -0.366 0.000 1.130 464 L CA 0.296 54.782 54.840 -0.590 0.000 0.826 464 L CB -0.229 41.093 42.059 -1.229 0.000 0.941 464 L HN 0.255 nan 8.230 nan 0.000 0.451 465 N N 2.539 121.183 118.700 -0.095 0.000 3.050 465 N HA 0.074 4.840 4.740 0.044 0.000 0.289 465 N C -0.535 174.995 175.510 0.034 0.000 1.209 465 N CA 0.074 53.169 53.050 0.075 0.000 1.154 465 N CB 0.263 38.849 38.487 0.164 0.000 1.444 465 N HN 0.512 nan 8.380 nan 0.000 0.529 466 Q N -0.092 119.703 119.800 -0.009 0.000 2.451 466 Q HA 0.872 5.238 4.340 0.044 0.000 0.281 466 Q C -1.480 174.460 176.000 -0.100 0.000 1.099 466 Q CA -1.271 54.483 55.803 -0.082 0.000 0.806 466 Q CB 2.428 31.185 28.738 0.032 0.000 1.419 466 Q HN 0.221 nan 8.270 nan 0.000 0.427 467 A N 0.287 122.944 122.820 -0.271 0.000 2.612 467 A HA 0.946 5.292 4.320 0.044 0.000 0.293 467 A C -1.052 176.451 177.584 -0.135 0.000 1.075 467 A CA -0.133 51.840 52.037 -0.108 0.000 0.680 467 A CB 1.960 20.922 19.000 -0.063 0.000 1.279 467 A HN 0.912 nan 8.150 nan 0.000 0.411 468 G N -1.112 107.727 108.800 0.065 0.000 2.694 468 G HA2 0.953 4.940 3.960 0.044 0.000 0.290 468 G HA3 0.953 4.940 3.960 0.044 0.000 0.290 468 G C -0.788 174.197 174.900 0.142 0.000 1.386 468 G CA 0.065 45.262 45.100 0.162 0.000 0.872 468 G HN 2.113 nan 8.290 nan 0.000 0.475 469 A N -0.739 122.164 122.820 0.138 0.000 2.606 469 A HA 0.796 5.142 4.320 0.044 0.000 0.293 469 A C -2.001 175.637 177.584 0.091 0.000 1.082 469 A CA -0.586 51.526 52.037 0.124 0.000 0.685 469 A CB 2.020 21.086 19.000 0.110 0.000 1.284 469 A HN 1.890 nan 8.150 nan 0.000 0.408 470 L N 1.478 122.738 121.223 0.062 0.000 2.441 470 L HA 0.757 5.123 4.340 0.044 0.000 0.270 470 L C -1.558 175.319 176.870 0.012 0.000 0.973 470 L CA -0.303 54.556 54.840 0.032 0.000 0.842 470 L CB 1.768 43.840 42.059 0.022 0.000 1.239 470 L HN 0.534 nan 8.230 nan 0.000 0.406 471 V N 4.355 124.268 119.914 -0.003 0.000 2.667 471 V HA 0.676 4.822 4.120 0.044 0.000 0.308 471 V C -0.624 175.427 176.094 -0.071 0.000 1.048 471 V CA -0.581 61.705 62.300 -0.024 0.000 0.928 471 V CB 1.923 33.738 31.823 -0.014 0.000 1.004 471 V HN 0.768 nan 8.190 nan 0.000 0.444 472 Q N 3.662 123.393 119.800 -0.115 0.000 2.375 472 Q HA 0.626 4.992 4.340 0.044 0.000 0.271 472 Q C -1.254 174.569 176.000 -0.295 0.000 1.074 472 Q CA -0.474 55.178 55.803 -0.252 0.000 0.808 472 Q CB 3.137 31.621 28.738 -0.422 0.000 1.327 472 Q HN 0.622 nan 8.270 nan 0.000 0.441 473 I N 2.500 122.876 120.570 -0.324 0.000 2.382 473 I HA 0.334 4.530 4.170 0.044 0.000 0.286 473 I C -0.706 175.213 176.117 -0.331 0.000 1.002 473 I CA -0.808 60.356 61.300 -0.225 0.000 1.135 473 I CB 0.860 38.811 38.000 -0.082 0.000 1.288 473 I HN 0.488 nan 8.210 nan 0.000 0.448 474 Y N 2.691 122.972 120.300 -0.031 0.000 2.334 474 Y HA 0.104 4.679 4.550 0.042 0.000 0.325 474 Y C 2.008 177.841 175.900 -0.111 0.000 1.308 474 Y CA -0.411 57.645 58.100 -0.075 0.000 1.389 474 Y CB 0.767 39.188 38.460 -0.064 0.000 1.328 474 Y HN 0.606 nan 8.280 nan 0.000 0.532 475 T N -3.449 111.101 114.554 -0.007 0.000 3.163 475 T HA -0.111 4.265 4.350 0.044 0.000 0.260 475 T C 0.597 175.263 174.700 -0.058 0.000 1.156 475 T CA 0.925 62.952 62.100 -0.122 0.000 1.072 475 T CB -0.410 68.274 68.868 -0.308 0.000 0.937 475 T HN 0.731 nan 8.240 nan 0.000 0.528 476 D N 0.225 120.629 120.400 0.007 0.000 2.349 476 D HA 0.232 4.898 4.640 0.044 0.000 0.214 476 D C 1.573 177.910 176.300 0.061 0.000 1.063 476 D CA 0.391 54.401 54.000 0.017 0.000 0.847 476 D CB -0.478 40.328 40.800 0.010 0.000 0.933 476 D HN 0.528 nan 8.370 nan 0.000 0.513 477 G N 0.246 109.093 108.800 0.079 0.000 2.176 477 G HA2 -0.257 3.729 3.960 0.044 0.000 0.232 477 G HA3 -0.257 3.729 3.960 0.044 0.000 0.232 477 G C 0.375 175.409 174.900 0.224 0.000 0.986 477 G CA 0.256 45.448 45.100 0.155 0.000 0.643 477 G HN 0.608 nan 8.290 nan 0.000 0.522 478 S N -1.005 114.803 115.700 0.180 0.000 2.669 478 S HA 0.838 5.335 4.470 0.044 0.000 0.270 478 S C -0.080 174.647 174.600 0.212 0.000 1.225 478 S CA -0.345 57.959 58.200 0.175 0.000 0.991 478 S CB 2.825 66.107 63.200 0.136 0.000 0.987 478 S HN 1.053 nan 8.310 nan 0.000 0.552 479 V N -0.019 119.993 119.914 0.163 0.000 2.888 479 V HA 0.764 4.910 4.120 0.044 0.000 0.309 479 V C -0.665 175.491 176.094 0.102 0.000 1.114 479 V CA -0.781 61.586 62.300 0.111 0.000 0.940 479 V CB 1.911 33.777 31.823 0.071 0.000 1.021 479 V HN 1.198 nan 8.190 nan 0.000 0.426 480 A N 3.941 126.805 122.820 0.073 0.000 2.311 480 A HA 0.862 5.208 4.320 0.044 0.000 0.306 480 A C -1.239 176.352 177.584 0.013 0.000 1.189 480 A CA -0.406 51.675 52.037 0.073 0.000 0.791 480 A CB 1.162 20.255 19.000 0.154 0.000 1.172 480 A HN 0.860 nan 8.150 nan 0.000 0.481 481 L N 2.450 123.671 121.223 -0.004 0.000 2.331 481 L HA 0.694 5.060 4.340 0.044 0.000 0.275 481 L C -0.403 176.445 176.870 -0.036 0.000 1.022 481 L CA -0.257 54.581 54.840 -0.004 0.000 0.812 481 L CB 1.473 43.539 42.059 0.012 0.000 1.257 481 L HN 0.746 nan 8.230 nan 0.000 0.435 482 N N 1.613 120.308 118.700 -0.009 0.000 2.493 482 N HA 0.332 5.098 4.740 0.044 0.000 0.279 482 N C -1.677 173.835 175.510 0.003 0.000 1.082 482 N CA -0.308 52.695 53.050 -0.077 0.000 0.963 482 N CB 1.168 39.621 38.487 -0.056 0.000 1.627 482 N HN 0.986 nan 8.380 nan 0.000 0.499 483 H N -0.164 118.914 119.070 0.013 0.000 3.048 483 H HA 0.568 5.153 4.556 0.049 0.000 0.296 483 H C 0.879 176.239 175.328 0.053 0.000 1.508 483 H CA -0.481 55.589 56.048 0.036 0.000 1.250 483 H CB 0.465 30.250 29.762 0.039 0.000 1.896 483 H HN 0.343 nan 8.280 nan 0.000 0.604 484 G N -1.035 107.952 108.800 0.311 0.000 2.880 484 G HA2 0.253 4.239 3.960 0.044 0.000 0.209 484 G HA3 0.253 4.239 3.960 0.044 0.000 0.209 484 G C 0.650 175.684 174.900 0.223 0.000 1.157 484 G CA 0.122 45.337 45.100 0.192 0.000 0.779 484 G HN 0.834 nan 8.290 nan 0.000 0.539 485 G N -0.001 109.098 108.800 0.499 0.000 2.537 485 G HA2 0.459 4.445 3.960 0.044 0.000 0.273 485 G HA3 0.459 4.445 3.960 0.044 0.000 0.273 485 G C -0.115 174.896 174.900 0.185 0.000 1.189 485 G CA 0.239 45.515 45.100 0.293 0.000 0.881 485 G HN 0.343 nan 8.290 nan 0.000 0.535 486 T N -1.585 112.997 114.554 0.047 0.000 2.841 486 T HA 0.516 4.892 4.350 0.044 0.000 0.283 486 T C -0.479 174.140 174.700 -0.134 0.000 1.000 486 T CA -0.816 61.272 62.100 -0.020 0.000 0.977 486 T CB 2.233 71.090 68.868 -0.019 0.000 0.979 486 T HN 0.490 nan 8.240 nan 0.000 0.446 487 E N 3.249 123.316 120.200 -0.221 0.000 2.223 487 E HA 0.377 4.753 4.350 0.044 0.000 0.282 487 E C 0.329 176.870 176.600 -0.098 0.000 1.046 487 E CA -0.546 55.692 56.400 -0.269 0.000 0.857 487 E CB 0.512 30.029 29.700 -0.305 0.000 1.055 487 E HN 0.788 nan 8.360 nan 0.000 0.409 488 M N 2.683 122.225 119.600 -0.096 0.000 2.747 488 M HA 0.504 5.010 4.480 0.044 0.000 0.402 488 M C 0.724 176.982 176.300 -0.069 0.000 1.238 488 M CA -0.018 55.223 55.300 -0.098 0.000 0.877 488 M CB 0.703 33.188 32.600 -0.193 0.000 1.424 488 M HN 0.582 nan 8.290 nan 0.000 0.511 489 G N 1.572 110.407 108.800 0.059 0.000 2.192 489 G HA2 -0.226 3.760 3.960 0.044 0.000 0.193 489 G HA3 -0.226 3.760 3.960 0.044 0.000 0.193 489 G C 0.616 175.600 174.900 0.141 0.000 0.999 489 G CA 0.325 45.499 45.100 0.125 0.000 0.659 489 G HN 0.655 nan 8.290 nan 0.000 0.503 490 Q N 0.997 120.824 119.800 0.046 0.000 2.246 490 Q HA 0.394 4.760 4.340 0.044 0.000 0.202 490 Q C 1.523 177.520 176.000 -0.005 0.000 0.883 490 Q CA 0.858 56.671 55.803 0.016 0.000 0.952 490 Q CB 0.198 28.908 28.738 -0.048 0.000 1.078 490 Q HN 1.760 nan 8.270 nan 0.000 0.493 491 G N 1.578 110.360 108.800 -0.031 0.000 2.159 491 G HA2 -0.339 3.647 3.960 0.044 0.000 0.256 491 G HA3 -0.339 3.647 3.960 0.044 0.000 0.256 491 G C 0.522 175.302 174.900 -0.200 0.000 0.977 491 G CA 0.418 45.407 45.100 -0.184 0.000 0.652 491 G HN 0.392 nan 8.290 nan 0.000 0.531 492 L N 1.001 122.108 121.223 -0.194 0.000 1.970 492 L HA -0.007 4.359 4.340 0.044 0.000 0.212 492 L C 2.558 179.369 176.870 -0.099 0.000 1.071 492 L CA 3.018 57.755 54.840 -0.171 0.000 0.751 492 L CB -0.872 41.063 42.059 -0.207 0.000 0.889 492 L HN 0.422 nan 8.230 nan 0.000 0.432 493 H N -0.302 118.747 119.070 -0.036 0.000 2.489 493 H HA -0.047 4.535 4.556 0.043 0.000 0.295 493 H C 2.087 177.366 175.328 -0.080 0.000 1.082 493 H CA 1.176 57.225 56.048 0.001 0.000 1.295 493 H CB -0.632 29.123 29.762 -0.011 0.000 1.380 493 H HN 0.528 nan 8.280 nan 0.000 0.548 494 A N 1.445 124.224 122.820 -0.068 0.000 1.854 494 A HA -0.136 4.210 4.320 0.044 0.000 0.214 494 A C 2.329 179.886 177.584 -0.046 0.000 1.192 494 A CA 1.242 53.238 52.037 -0.070 0.000 0.611 494 A CB -0.221 18.710 19.000 -0.115 0.000 0.832 494 A HN 0.323 nan 8.150 nan 0.000 0.442 495 K N -0.872 119.491 120.400 -0.062 0.000 2.127 495 K HA -0.188 4.158 4.320 0.044 0.000 0.208 495 K C 1.996 178.571 176.600 -0.042 0.000 1.047 495 K CA 1.698 57.951 56.287 -0.057 0.000 0.927 495 K CB -0.337 32.125 32.500 -0.064 0.000 0.716 495 K HN 0.325 nan 8.250 nan 0.000 0.450 496 M N 0.420 120.005 119.600 -0.024 0.000 2.132 496 M HA -0.098 4.408 4.480 0.044 0.000 0.263 496 M C 2.329 178.637 176.300 0.013 0.000 1.065 496 M CA 1.226 56.515 55.300 -0.019 0.000 1.122 496 M CB -0.784 31.813 32.600 -0.004 0.000 1.365 496 M HN -0.069 nan 8.290 nan 0.000 0.411 497 V N 0.157 120.085 119.914 0.023 0.000 2.332 497 V HA -0.307 3.840 4.120 0.044 0.000 0.248 497 V C 2.421 178.499 176.094 -0.026 0.000 1.055 497 V CA 1.743 64.043 62.300 0.001 0.000 1.038 497 V CB -0.749 31.071 31.823 -0.006 0.000 0.651 497 V HN 0.488 nan 8.190 nan 0.000 0.450 498 Q N -0.597 119.178 119.800 -0.042 0.000 2.002 498 Q HA -0.203 4.163 4.340 0.044 0.000 0.204 498 Q C 2.328 178.279 176.000 -0.081 0.000 0.988 498 Q CA 2.475 58.233 55.803 -0.074 0.000 0.843 498 Q CB -0.437 28.245 28.738 -0.093 0.000 0.908 498 Q HN 0.514 nan 8.270 nan 0.000 0.420 499 V N 0.902 120.789 119.914 -0.046 0.000 2.250 499 V HA -0.387 3.760 4.120 0.044 0.000 0.253 499 V C 2.222 178.338 176.094 0.036 0.000 1.065 499 V CA 2.076 64.398 62.300 0.037 0.000 1.039 499 V CB -1.186 30.697 31.823 0.101 0.000 0.647 499 V HN 0.527 nan 8.190 nan 0.000 0.446 500 A N -0.294 122.532 122.820 0.010 0.000 1.908 500 A HA -0.123 4.223 4.320 0.044 0.000 0.218 500 A C 2.366 179.930 177.584 -0.034 0.000 1.181 500 A CA 2.202 54.238 52.037 -0.002 0.000 0.627 500 A CB -0.780 18.218 19.000 -0.003 0.000 0.818 500 A HN 0.653 nan 8.150 nan 0.000 0.445 501 A N -0.650 122.138 122.820 -0.053 0.000 2.067 501 A HA 0.295 4.641 4.320 0.044 0.000 0.219 501 A C 2.341 179.873 177.584 -0.086 0.000 1.158 501 A CA 1.710 53.698 52.037 -0.083 0.000 0.661 501 A CB -0.645 18.306 19.000 -0.082 0.000 0.801 501 A HN 0.904 nan 8.150 nan 0.000 0.452 502 A N -0.628 122.149 122.820 -0.071 0.000 1.855 502 A HA 0.107 4.453 4.320 0.044 0.000 0.213 502 A C 2.111 179.693 177.584 -0.004 0.000 1.195 502 A CA 1.405 53.398 52.037 -0.073 0.000 0.610 502 A CB -0.828 18.077 19.000 -0.159 0.000 0.837 502 A HN 0.326 nan 8.150 nan 0.000 0.444 503 V N 0.201 120.145 119.914 0.050 0.000 2.490 503 V HA -0.194 3.952 4.120 0.044 0.000 0.250 503 V C 2.294 178.378 176.094 -0.017 0.000 1.061 503 V CA 1.685 64.027 62.300 0.069 0.000 1.064 503 V CB -0.594 31.274 31.823 0.075 0.000 0.670 503 V HN 0.528 nan 8.190 nan 0.000 0.461 504 L N -0.106 121.073 121.223 -0.074 0.000 2.558 504 L HA 0.267 4.633 4.340 0.044 0.000 0.225 504 L C 1.698 178.454 176.870 -0.189 0.000 1.128 504 L CA 0.840 55.580 54.840 -0.167 0.000 0.868 504 L CB -0.259 41.675 42.059 -0.208 0.000 1.006 504 L HN 0.554 nan 8.230 nan 0.000 0.454 505 G N 1.560 110.303 108.800 -0.096 0.000 2.147 505 G HA2 -0.273 3.713 3.960 0.044 0.000 0.244 505 G HA3 -0.273 3.713 3.960 0.044 0.000 0.244 505 G C 0.164 174.979 174.900 -0.142 0.000 1.005 505 G CA 0.602 45.682 45.100 -0.033 0.000 0.713 505 G HN 0.465 nan 8.290 nan 0.000 0.515 506 I N -3.640 116.784 120.570 -0.243 0.000 3.239 506 I HA 0.820 5.016 4.170 0.044 0.000 0.314 506 I C -0.497 175.530 176.117 -0.150 0.000 1.126 506 I CA -1.479 59.664 61.300 -0.263 0.000 0.973 506 I CB 1.940 39.646 38.000 -0.489 0.000 1.252 506 I HN -0.040 nan 8.210 nan 0.000 0.463 507 D N 2.606 122.943 120.400 -0.105 0.000 2.345 507 D HA 0.319 4.985 4.640 0.044 0.000 0.247 507 D C -1.924 174.337 176.300 -0.064 0.000 1.108 507 D CA -2.277 51.682 54.000 -0.067 0.000 0.894 507 D CB 1.733 42.509 40.800 -0.039 0.000 1.203 507 D HN 0.280 nan 8.370 nan 0.000 0.430 508 P HA -0.128 nan 4.420 nan 0.000 0.219 508 P C 1.461 178.741 177.300 -0.033 0.000 1.146 508 P CA 0.515 63.587 63.100 -0.047 0.000 0.808 508 P CB 0.240 31.913 31.700 -0.045 0.000 0.779 509 V N -0.407 119.492 119.914 -0.026 0.000 2.688 509 V HA -0.214 3.932 4.120 0.044 0.000 0.256 509 V C 2.136 178.226 176.094 -0.007 0.000 1.084 509 V CA 1.628 63.919 62.300 -0.015 0.000 1.103 509 V CB -1.046 30.771 31.823 -0.010 0.000 0.688 509 V HN 0.153 nan 8.190 nan 0.000 0.480 510 Q N -0.634 119.161 119.800 -0.009 0.000 2.444 510 Q HA 0.162 4.528 4.340 0.044 0.000 0.206 510 Q C 0.171 176.180 176.000 0.016 0.000 0.948 510 Q CA 0.301 56.112 55.803 0.012 0.000 0.946 510 Q CB 0.484 29.227 28.738 0.008 0.000 1.027 510 Q HN 0.487 nan 8.270 nan 0.000 0.513 511 V N 1.218 121.131 119.914 -0.002 0.000 2.409 511 V HA 0.413 4.559 4.120 0.044 0.000 0.291 511 V C -0.214 175.879 176.094 -0.002 0.000 1.020 511 V CA -0.885 61.417 62.300 0.003 0.000 0.848 511 V CB 1.955 33.771 31.823 -0.013 0.000 0.990 511 V HN -0.005 nan 8.190 nan 0.000 0.430 512 R N 3.840 124.343 120.500 0.004 0.000 2.589 512 R HA 0.689 5.055 4.340 0.044 0.000 0.293 512 R C -0.900 175.374 176.300 -0.043 0.000 0.963 512 R CA -0.522 55.568 56.100 -0.017 0.000 0.905 512 R CB 1.599 31.893 30.300 -0.010 0.000 1.144 512 R HN 0.689 nan 8.270 nan 0.000 0.459 513 I N 2.561 123.077 120.570 -0.090 0.000 2.499 513 I HA 0.408 4.605 4.170 0.044 0.000 0.296 513 I C -0.446 175.550 176.117 -0.202 0.000 0.992 513 I CA 0.252 61.440 61.300 -0.187 0.000 1.297 513 I CB 1.570 39.359 38.000 -0.352 0.000 1.410 513 I HN 0.908 nan 8.210 nan 0.000 0.507 514 T N 4.022 118.436 114.554 -0.232 0.000 2.949 514 T HA 0.830 5.206 4.350 0.044 0.000 0.287 514 T C -0.040 174.522 174.700 -0.230 0.000 1.034 514 T CA -0.677 61.317 62.100 -0.176 0.000 1.018 514 T CB 1.164 69.970 68.868 -0.104 0.000 1.135 514 T HN 0.848 nan 8.240 nan 0.000 0.532 515 A N 1.222 123.962 122.820 -0.133 0.000 2.483 515 A HA 0.483 4.829 4.320 0.044 0.000 0.238 515 A C 0.787 178.309 177.584 -0.104 0.000 1.070 515 A CA -0.365 51.616 52.037 -0.093 0.000 0.770 515 A CB -0.701 18.275 19.000 -0.040 0.000 1.008 515 A HN 0.857 nan 8.150 nan 0.000 0.497 516 T N 2.170 116.681 114.554 -0.072 0.000 2.902 516 T HA 0.292 4.668 4.350 0.044 0.000 0.301 516 T C -0.258 174.409 174.700 -0.054 0.000 1.012 516 T CA 0.683 62.740 62.100 -0.070 0.000 1.151 516 T CB 0.068 68.924 68.868 -0.021 0.000 0.946 516 T HN 0.641 nan 8.240 nan 0.000 0.542 517 D N 1.884 122.253 120.400 -0.052 0.000 2.764 517 D HA 0.101 4.767 4.640 0.044 0.000 0.227 517 D C 1.132 177.412 176.300 -0.034 0.000 1.347 517 D CA -0.463 53.507 54.000 -0.051 0.000 0.953 517 D CB 1.449 42.218 40.800 -0.051 0.000 1.476 517 D HN 0.530 nan 8.370 nan 0.000 0.585 518 T N -0.124 114.408 114.554 -0.037 0.000 3.139 518 T HA -0.112 4.264 4.350 0.044 0.000 0.267 518 T C 1.323 176.018 174.700 -0.008 0.000 1.164 518 T CA 1.234 63.323 62.100 -0.018 0.000 1.075 518 T CB -0.203 68.643 68.868 -0.036 0.000 0.904 518 T HN 0.218 nan 8.240 nan 0.000 0.540 519 S N -0.952 114.737 115.700 -0.017 0.000 2.575 519 S HA 0.353 4.850 4.470 0.044 0.000 0.215 519 S C 1.492 176.092 174.600 0.000 0.000 0.966 519 S CA -0.464 57.733 58.200 -0.006 0.000 0.911 519 S CB 0.105 63.296 63.200 -0.015 0.000 0.780 519 S HN 0.506 nan 8.310 nan 0.000 0.514 520 K N 0.256 120.656 120.400 -0.000 0.000 2.312 520 K HA 0.378 4.724 4.320 0.044 0.000 0.206 520 K C -0.516 176.097 176.600 0.022 0.000 1.121 520 K CA 0.377 56.666 56.287 0.004 0.000 0.923 520 K CB 0.838 33.332 32.500 -0.010 0.000 1.162 520 K HN 0.156 nan 8.250 nan 0.000 0.478 521 V N 4.005 123.938 119.914 0.030 0.000 2.444 521 V HA 0.372 4.519 4.120 0.044 0.000 0.294 521 V C -2.571 173.562 176.094 0.065 0.000 1.022 521 V CA -1.862 60.475 62.300 0.061 0.000 0.850 521 V CB 1.506 33.378 31.823 0.082 0.000 0.992 521 V HN 0.144 nan 8.190 nan 0.000 0.426 522 P HA 0.465 nan 4.420 nan 0.000 0.285 522 P C -0.568 176.791 177.300 0.098 0.000 1.280 522 P CA -0.722 62.422 63.100 0.074 0.000 0.862 522 P CB 0.633 32.375 31.700 0.069 0.000 1.153 523 N N -1.747 117.007 118.700 0.089 0.000 2.714 523 N HA -0.102 4.664 4.740 0.044 0.000 0.253 523 N C -0.160 175.426 175.510 0.126 0.000 1.024 523 N CA 1.126 54.242 53.050 0.110 0.000 0.726 523 N CB -2.128 36.430 38.487 0.120 0.000 0.908 523 N HN 0.668 nan 8.380 nan 0.000 0.542 524 T N -3.590 111.035 114.554 0.119 0.000 2.902 524 T HA 0.596 4.972 4.350 0.044 0.000 0.280 524 T C 0.699 175.490 174.700 0.151 0.000 0.992 524 T CA -0.616 61.557 62.100 0.121 0.000 1.015 524 T CB 2.104 71.040 68.868 0.114 0.000 1.044 524 T HN 0.067 nan 8.240 nan 0.000 0.520 525 S N 0.421 116.142 115.700 0.034 0.000 2.652 525 S HA 0.651 5.147 4.470 0.044 0.000 0.270 525 S C 0.638 175.064 174.600 -0.289 0.000 1.243 525 S CA -0.667 57.455 58.200 -0.129 0.000 0.999 525 S CB 0.586 63.579 63.200 -0.345 0.000 0.973 525 S HN 1.096 nan 8.310 nan 0.000 0.544 526 A N 1.378 123.654 122.820 -0.907 0.000 2.406 526 A HA 0.398 4.744 4.320 0.044 0.000 0.243 526 A C 0.311 177.780 177.584 -0.192 0.000 1.082 526 A CA -0.180 51.350 52.037 -0.844 0.000 0.786 526 A CB -0.220 18.192 19.000 -0.979 0.000 1.029 526 A HN 0.670 nan 8.150 nan 0.000 0.495 527 T N 1.653 116.140 114.554 -0.111 0.000 2.727 527 T HA 0.553 4.929 4.350 0.044 0.000 0.295 527 T C 0.209 174.863 174.700 -0.078 0.000 0.915 527 T CA 0.919 62.992 62.100 -0.046 0.000 1.066 527 T CB -0.063 68.775 68.868 -0.050 0.000 0.891 527 T HN 1.449 nan 8.240 nan 0.000 0.516 528 A N 2.441 125.208 122.820 -0.087 0.000 2.483 528 A HA 0.795 5.142 4.320 0.044 0.000 0.294 528 A C 0.360 177.629 177.584 -0.525 0.000 1.077 528 A CA -0.259 51.635 52.037 -0.239 0.000 0.633 528 A CB -0.102 18.783 19.000 -0.191 0.000 1.318 528 A HN 1.727 nan 8.150 nan 0.000 0.455 529 A N -0.757 121.701 122.820 -0.604 0.000 2.899 529 A HA 0.133 4.479 4.320 0.044 0.000 0.257 529 A C 1.151 178.485 177.584 -0.417 0.000 1.335 529 A CA 1.640 53.242 52.037 -0.726 0.000 0.924 529 A CB -2.605 15.469 19.000 -1.543 0.000 1.105 529 A HN 2.575 nan 8.150 nan 0.000 0.765 530 S N -2.411 113.116 115.700 -0.288 0.000 3.473 530 S HA -0.268 4.228 4.470 0.044 0.000 0.339 530 S C 0.918 175.418 174.600 -0.167 0.000 1.148 530 S CA 1.817 59.903 58.200 -0.191 0.000 0.969 530 S CB -2.214 60.886 63.200 -0.167 0.000 0.936 530 S HN 2.520 nan 8.310 nan 0.000 0.530 531 S N -0.893 114.684 115.700 -0.205 0.000 2.578 531 S HA 0.448 4.944 4.470 0.044 0.000 0.231 531 S C 1.852 176.412 174.600 -0.067 0.000 0.994 531 S CA 0.421 58.549 58.200 -0.120 0.000 0.956 531 S CB 0.369 63.493 63.200 -0.126 0.000 0.870 531 S HN 0.733 nan 8.310 nan 0.000 0.494 532 G N 2.338 111.088 108.800 -0.082 0.000 2.529 532 G HA2 -0.148 3.838 3.960 0.044 0.000 0.219 532 G HA3 -0.148 3.838 3.960 0.044 0.000 0.219 532 G C 1.521 176.353 174.900 -0.113 0.000 1.177 532 G CA 1.104 46.157 45.100 -0.079 0.000 0.773 532 G HN 0.805 nan 8.290 nan 0.000 0.573 533 A N 0.285 123.040 122.820 -0.108 0.000 1.911 533 A HA 0.166 4.512 4.320 0.044 0.000 0.212 533 A C 2.033 179.540 177.584 -0.128 0.000 1.189 533 A CA 1.626 53.587 52.037 -0.126 0.000 0.639 533 A CB -0.274 18.671 19.000 -0.091 0.000 0.839 533 A HN 0.248 nan 8.150 nan 0.000 0.449 534 D N 0.134 120.482 120.400 -0.087 0.000 2.160 534 D HA -0.237 4.429 4.640 0.044 0.000 0.189 534 D C 1.999 178.148 176.300 -0.252 0.000 1.003 534 D CA 2.188 56.128 54.000 -0.099 0.000 0.846 534 D CB -0.259 40.548 40.800 0.010 0.000 0.949 534 D HN 0.492 nan 8.370 nan 0.000 0.446 535 M N -0.380 119.088 119.600 -0.219 0.000 2.171 535 M HA -0.012 4.494 4.480 0.044 0.000 0.260 535 M C 1.915 178.027 176.300 -0.312 0.000 1.087 535 M CA 0.704 55.808 55.300 -0.328 0.000 1.154 535 M CB -0.245 32.318 32.600 -0.062 0.000 1.331 535 M HN -0.019 nan 8.290 nan 0.000 0.431 536 N N 0.829 119.401 118.700 -0.214 0.000 2.149 536 N HA -0.129 4.637 4.740 0.044 0.000 0.188 536 N C 1.792 177.157 175.510 -0.242 0.000 1.019 536 N CA 1.652 54.565 53.050 -0.228 0.000 0.857 536 N CB -0.516 37.767 38.487 -0.341 0.000 0.997 536 N HN 0.449 nan 8.380 nan 0.000 0.426 537 G N 2.460 111.116 108.800 -0.240 0.000 2.553 537 G HA2 -0.271 3.715 3.960 0.044 0.000 0.218 537 G HA3 -0.271 3.715 3.960 0.044 0.000 0.218 537 G C 1.580 176.364 174.900 -0.193 0.000 1.195 537 G CA 0.932 45.929 45.100 -0.173 0.000 0.779 537 G HN 0.106 nan 8.290 nan 0.000 0.577 538 M N 1.260 120.654 119.600 -0.343 0.000 2.082 538 M HA -0.077 4.430 4.480 0.044 0.000 0.258 538 M C 3.088 179.280 176.300 -0.180 0.000 1.071 538 M CA 1.596 56.674 55.300 -0.370 0.000 1.103 538 M CB -1.648 30.426 32.600 -0.876 0.000 1.307 538 M HN 0.332 nan 8.290 nan 0.000 0.409 539 A N -0.354 122.369 122.820 -0.162 0.000 1.948 539 A HA -0.107 4.239 4.320 0.044 0.000 0.220 539 A C 2.511 180.088 177.584 -0.010 0.000 1.177 539 A CA 2.051 54.068 52.037 -0.033 0.000 0.636 539 A CB -1.039 17.947 19.000 -0.022 0.000 0.815 539 A HN 0.331 nan 8.150 nan 0.000 0.449 540 V N 0.006 119.897 119.914 -0.038 0.000 2.358 540 V HA -0.250 3.896 4.120 0.044 0.000 0.246 540 V C 2.519 178.613 176.094 -0.001 0.000 1.047 540 V CA 2.388 64.687 62.300 -0.003 0.000 1.035 540 V CB -0.634 31.185 31.823 -0.007 0.000 0.658 540 V HN 0.749 nan 8.190 nan 0.000 0.452 541 K N 0.695 121.083 120.400 -0.020 0.000 2.044 541 K HA -0.304 4.042 4.320 0.044 0.000 0.210 541 K C 1.889 178.486 176.600 -0.006 0.000 1.049 541 K CA 2.399 58.678 56.287 -0.013 0.000 0.927 541 K CB -0.530 31.928 32.500 -0.071 0.000 0.713 541 K HN 0.449 nan 8.250 nan 0.000 0.443 542 D N -0.538 119.863 120.400 0.002 0.000 2.190 542 D HA -0.165 4.501 4.640 0.044 0.000 0.200 542 D C 1.523 177.843 176.300 0.033 0.000 0.992 542 D CA 1.569 55.588 54.000 0.031 0.000 0.854 542 D CB -0.111 40.732 40.800 0.072 0.000 0.936 542 D HN 0.414 nan 8.370 nan 0.000 0.462 543 A N -0.986 121.852 122.820 0.030 0.000 1.984 543 A HA 0.002 4.348 4.320 0.044 0.000 0.214 543 A C 2.504 180.091 177.584 0.005 0.000 1.173 543 A CA 0.755 52.806 52.037 0.024 0.000 0.673 543 A CB -0.592 18.425 19.000 0.029 0.000 0.830 543 A HN 0.439 nan 8.150 nan 0.000 0.453 544 C N -0.393 118.908 119.300 0.001 0.000 2.425 544 C HA -0.077 4.409 4.460 0.044 0.000 0.277 544 C C 2.567 177.540 174.990 -0.028 0.000 1.280 544 C CA 1.170 60.179 59.018 -0.015 0.000 1.744 544 C CB -1.171 26.563 27.740 -0.010 0.000 1.989 544 C HN 0.674 nan 8.230 nan 0.000 0.491 545 E N 0.313 120.505 120.200 -0.013 0.000 2.077 545 E HA -0.172 4.204 4.350 0.044 0.000 0.193 545 E C 2.172 178.765 176.600 -0.012 0.000 0.989 545 E CA 1.639 58.032 56.400 -0.013 0.000 0.800 545 E CB -0.177 29.523 29.700 -0.001 0.000 0.746 545 E HN 0.576 nan 8.360 nan 0.000 0.452 546 T N 1.355 115.907 114.554 -0.003 0.000 2.607 546 T HA -0.196 4.180 4.350 0.044 0.000 0.267 546 T C 1.911 176.600 174.700 -0.019 0.000 1.049 546 T CA 1.369 63.467 62.100 -0.003 0.000 1.162 546 T CB -0.298 68.572 68.868 0.002 0.000 0.863 546 T HN 0.067 nan 8.240 nan 0.000 0.424 547 L N 0.470 121.675 121.223 -0.031 0.000 2.017 547 L HA -0.012 4.354 4.340 0.044 0.000 0.208 547 L C 2.789 179.614 176.870 -0.075 0.000 1.073 547 L CA 1.352 56.165 54.840 -0.046 0.000 0.745 547 L CB -0.619 41.414 42.059 -0.043 0.000 0.894 547 L HN 0.085 nan 8.230 nan 0.000 0.432 548 R N 0.648 121.075 120.500 -0.121 0.000 2.170 548 R HA -0.168 4.198 4.340 0.044 0.000 0.242 548 R C 2.165 178.405 176.300 -0.100 0.000 1.145 548 R CA 1.493 57.440 56.100 -0.255 0.000 0.984 548 R CB -0.543 29.569 30.300 -0.314 0.000 0.869 548 R HN 0.483 nan 8.270 nan 0.000 0.455 549 G N 0.556 109.340 108.800 -0.026 0.000 2.418 549 G HA2 -0.249 3.737 3.960 0.044 0.000 0.217 549 G HA3 -0.249 3.737 3.960 0.044 0.000 0.217 549 G C 1.465 176.392 174.900 0.045 0.000 1.158 549 G CA 0.473 45.590 45.100 0.028 0.000 0.771 549 G HN 0.346 nan 8.290 nan 0.000 0.545 550 R N -0.245 120.265 120.500 0.018 0.000 2.115 550 R HA 0.171 4.537 4.340 0.044 0.000 0.226 550 R C 2.581 178.928 176.300 0.079 0.000 1.100 550 R CA 0.519 56.639 56.100 0.033 0.000 0.980 550 R CB -0.393 29.904 30.300 -0.005 0.000 0.875 550 R HN 0.311 nan 8.270 nan 0.000 0.445 551 L N 0.311 121.573 121.223 0.065 0.000 2.056 551 L HA -0.138 4.228 4.340 0.044 0.000 0.207 551 L C 2.714 179.767 176.870 0.305 0.000 1.078 551 L CA 1.231 56.171 54.840 0.167 0.000 0.749 551 L CB -0.613 41.526 42.059 0.133 0.000 0.901 551 L HN 0.233 nan 8.230 nan 0.000 0.433 552 A N 0.446 123.452 122.820 0.310 0.000 1.865 552 A HA -0.156 4.190 4.320 0.044 0.000 0.217 552 A C 2.411 180.097 177.584 0.170 0.000 1.191 552 A CA 1.827 54.046 52.037 0.303 0.000 0.623 552 A CB -1.448 17.729 19.000 0.295 0.000 0.826 552 A HN 0.439 nan 8.150 nan 0.000 0.444 553 G N -0.716 108.170 108.800 0.143 0.000 2.599 553 G HA2 -0.364 3.622 3.960 0.044 0.000 0.219 553 G HA3 -0.364 3.622 3.960 0.044 0.000 0.219 553 G C 1.502 176.468 174.900 0.110 0.000 1.193 553 G CA 1.493 46.655 45.100 0.105 0.000 0.778 553 G HN 0.608 nan 8.290 nan 0.000 0.589 554 F N 1.228 121.178 119.950 0.000 0.000 2.095 554 F HA -0.120 4.434 4.527 0.045 0.000 0.298 554 F C 2.695 178.465 175.800 -0.048 0.000 1.104 554 F CA 1.881 59.864 58.000 -0.030 0.000 1.232 554 F CB -0.464 38.507 39.000 -0.048 0.000 0.987 554 F HN 0.015 nan 8.300 nan 0.000 0.475 555 V N 0.658 120.454 119.914 -0.196 0.000 2.490 555 V HA -0.289 3.857 4.120 0.044 0.000 0.250 555 V C 2.708 178.651 176.094 -0.252 0.000 1.061 555 V CA 1.566 63.641 62.300 -0.376 0.000 1.064 555 V CB -1.475 30.235 31.823 -0.188 0.000 0.670 555 V HN 0.555 nan 8.190 nan 0.000 0.461 556 A N 0.225 122.975 122.820 -0.116 0.000 1.835 556 A HA -0.154 4.192 4.320 0.044 0.000 0.215 556 A C 2.496 180.024 177.584 -0.094 0.000 1.199 556 A CA 2.200 54.199 52.037 -0.063 0.000 0.615 556 A CB -1.094 17.901 19.000 -0.009 0.000 0.838 556 A HN 0.571 nan 8.150 nan 0.000 0.444 557 A N -0.561 122.196 122.820 -0.105 0.000 1.927 557 A HA -0.263 4.083 4.320 0.044 0.000 0.220 557 A C 2.331 179.826 177.584 -0.149 0.000 1.185 557 A CA 2.107 54.084 52.037 -0.100 0.000 0.639 557 A CB -0.583 18.368 19.000 -0.081 0.000 0.820 557 A HN 0.526 nan 8.150 nan 0.000 0.451 558 R N -0.315 120.016 120.500 -0.281 0.000 2.073 558 R HA -0.073 4.293 4.340 0.044 0.000 0.229 558 R C 0.560 176.774 176.300 -0.143 0.000 1.120 558 R CA 1.483 57.417 56.100 -0.278 0.000 0.967 558 R CB -0.145 29.826 30.300 -0.549 0.000 0.862 558 R HN 0.511 nan 8.270 nan 0.000 0.436 559 E N 0.206 120.341 120.200 -0.109 0.000 2.394 559 E HA 0.110 4.486 4.350 0.044 0.000 0.191 559 E C -0.084 176.509 176.600 -0.011 0.000 1.044 559 E CA 0.303 56.697 56.400 -0.010 0.000 0.939 559 E CB 0.387 30.135 29.700 0.080 0.000 1.089 559 E HN 0.501 nan 8.360 nan 0.000 0.456 560 G N 2.232 111.012 108.800 -0.034 0.000 2.415 560 G HA2 -0.247 3.739 3.960 0.044 0.000 0.189 560 G HA3 -0.247 3.739 3.960 0.044 0.000 0.189 560 G C 0.336 175.232 174.900 -0.008 0.000 0.317 560 G CA 0.486 45.574 45.100 -0.020 0.000 0.991 560 G HN 0.530 nan 8.290 nan 0.000 0.415 561 C N -0.195 119.101 119.300 -0.007 0.000 3.131 561 C HA 0.907 5.393 4.460 0.044 0.000 0.322 561 C C 0.407 175.401 174.990 0.007 0.000 1.368 561 C CA -0.462 58.558 59.018 0.003 0.000 1.191 561 C CB 0.870 28.615 27.740 0.010 0.000 1.447 561 C HN 2.584 nan 8.230 nan 0.000 0.425 562 A N 0.415 123.243 122.820 0.014 0.000 2.295 562 A HA 0.835 5.181 4.320 0.044 0.000 0.318 562 A C 1.231 178.834 177.584 0.031 0.000 1.134 562 A CA 0.375 52.424 52.037 0.020 0.000 0.827 562 A CB 0.802 19.814 19.000 0.020 0.000 1.136 562 A HN 2.563 nan 8.150 nan 0.000 0.493 563 A N 1.256 124.100 122.820 0.041 0.000 1.902 563 A HA -0.160 4.186 4.320 0.044 0.000 0.217 563 A C 1.991 179.621 177.584 0.077 0.000 1.181 563 A CA 1.796 53.871 52.037 0.065 0.000 0.623 563 A CB -0.537 18.505 19.000 0.071 0.000 0.818 563 A HN 0.986 nan 8.150 nan 0.000 0.443 564 R N -0.804 119.732 120.500 0.062 0.000 2.328 564 R HA -0.041 4.325 4.340 0.044 0.000 0.207 564 R C -0.124 176.211 176.300 0.059 0.000 1.056 564 R CA 1.538 57.676 56.100 0.064 0.000 1.016 564 R CB -0.283 30.046 30.300 0.048 0.000 0.872 564 R HN 0.250 nan 8.270 nan 0.000 0.471 565 D N 0.671 121.100 120.400 0.048 0.000 2.402 565 D HA 0.119 4.785 4.640 0.044 0.000 0.216 565 D C -0.435 175.882 176.300 0.028 0.000 1.128 565 D CA -0.001 54.020 54.000 0.035 0.000 0.833 565 D CB 0.917 41.731 40.800 0.025 0.000 0.971 565 D HN 0.004 nan 8.370 nan 0.000 0.503 566 V N 1.581 121.519 119.914 0.039 0.000 2.509 566 V HA 0.376 4.522 4.120 0.044 0.000 0.284 566 V C 0.422 176.474 176.094 -0.071 0.000 1.047 566 V CA -0.477 61.809 62.300 -0.023 0.000 0.952 566 V CB 1.954 33.773 31.823 -0.006 0.000 0.988 566 V HN -0.078 nan 8.190 nan 0.000 0.469 567 I N 4.426 124.862 120.570 -0.223 0.000 2.447 567 I HA 0.457 4.653 4.170 0.044 0.000 0.287 567 I C -1.175 174.768 176.117 -0.291 0.000 1.023 567 I CA -0.153 61.070 61.300 -0.129 0.000 1.083 567 I CB 1.797 39.776 38.000 -0.036 0.000 1.245 567 I HN 0.421 nan 8.210 nan 0.000 0.434 568 F N 4.220 124.232 119.950 0.103 0.000 2.388 568 F HA 0.508 5.061 4.527 0.044 0.000 0.358 568 F C -0.120 175.711 175.800 0.052 0.000 1.122 568 F CA -0.577 57.486 58.000 0.104 0.000 1.056 568 F CB 1.216 40.283 39.000 0.112 0.000 1.155 568 F HN 0.354 nan 8.300 nan 0.000 0.461 569 D N 1.417 121.908 120.400 0.153 0.000 2.937 569 D HA 0.535 5.201 4.640 0.044 0.000 0.215 569 D C -0.321 176.012 176.300 0.056 0.000 1.274 569 D CA -0.066 53.986 54.000 0.087 0.000 0.869 569 D CB 1.674 42.509 40.800 0.058 0.000 1.675 569 D HN 0.732 nan 8.370 nan 0.000 0.538 570 A N 2.605 125.438 122.820 0.022 0.000 2.872 570 A HA 0.170 4.516 4.320 0.044 0.000 0.273 570 A C 1.539 179.133 177.584 0.017 0.000 1.442 570 A CA 1.765 53.807 52.037 0.008 0.000 0.801 570 A CB -2.208 16.801 19.000 0.015 0.000 1.031 570 A HN 1.991 nan 8.150 nan 0.000 0.582 571 G N -2.826 105.974 108.800 0.000 0.000 2.159 571 G HA2 -0.179 3.807 3.960 0.044 0.000 0.256 571 G HA3 -0.179 3.807 3.960 0.044 0.000 0.256 571 G C -0.167 174.818 174.900 0.141 0.000 0.977 571 G CA 0.936 46.053 45.100 0.028 0.000 0.652 571 G HN 1.591 nan 8.290 nan 0.000 0.531 572 Q N -0.710 119.181 119.800 0.152 0.000 2.397 572 Q HA 0.671 5.037 4.340 0.044 0.000 0.275 572 Q C -0.870 175.236 176.000 0.176 0.000 1.090 572 Q CA -0.795 55.115 55.803 0.178 0.000 0.809 572 Q CB 3.093 31.895 28.738 0.106 0.000 1.362 572 Q HN 0.250 nan 8.270 nan 0.000 0.431 573 V N 1.548 121.583 119.914 0.202 0.000 2.555 573 V HA 0.423 4.569 4.120 0.044 0.000 0.302 573 V C -0.663 175.518 176.094 0.145 0.000 1.038 573 V CA -0.601 61.720 62.300 0.034 0.000 0.887 573 V CB 1.966 33.817 31.823 0.046 0.000 0.991 573 V HN 0.694 nan 8.190 nan 0.000 0.434 574 Q N 2.133 121.935 119.800 0.002 0.000 2.347 574 Q HA 0.843 5.209 4.340 0.044 0.000 0.271 574 Q C -1.030 175.009 176.000 0.064 0.000 1.064 574 Q CA -0.331 55.505 55.803 0.055 0.000 0.800 574 Q CB 2.340 31.072 28.738 -0.010 0.000 1.304 574 Q HN 1.060 nan 8.270 nan 0.000 0.438 575 A N 1.124 124.010 122.820 0.111 0.000 2.605 575 A HA 0.541 4.887 4.320 0.044 0.000 0.294 575 A C -0.548 177.066 177.584 0.050 0.000 1.062 575 A CA -0.279 51.818 52.037 0.099 0.000 0.682 575 A CB 1.152 20.251 19.000 0.166 0.000 1.278 575 A HN 1.092 nan 8.150 nan 0.000 0.410 576 S N 0.199 115.916 115.700 0.027 0.000 3.294 576 S HA -0.009 4.487 4.470 0.044 0.000 0.361 576 S C 1.773 176.349 174.600 -0.041 0.000 0.935 576 S CA 1.575 59.775 58.200 -0.001 0.000 1.263 576 S CB -1.817 61.389 63.200 0.011 0.000 0.891 576 S HN 2.867 nan 8.310 nan 0.000 0.487 577 G N -0.542 108.224 108.800 -0.056 0.000 2.228 577 G HA2 -0.383 3.603 3.960 0.044 0.000 0.270 577 G HA3 -0.383 3.603 3.960 0.044 0.000 0.270 577 G C 0.092 174.895 174.900 -0.161 0.000 0.976 577 G CA 1.067 46.114 45.100 -0.088 0.000 0.636 577 G HN 0.773 nan 8.290 nan 0.000 0.542 578 K N 0.318 120.574 120.400 -0.240 0.000 2.090 578 K HA 0.712 5.059 4.320 0.044 0.000 0.249 578 K C 0.406 176.652 176.600 -0.591 0.000 0.995 578 K CA 0.147 56.143 56.287 -0.485 0.000 0.914 578 K CB 1.558 33.630 32.500 -0.713 0.000 1.057 578 K HN 0.520 nan 8.250 nan 0.000 0.462 579 S N -0.329 114.940 115.700 -0.718 0.000 2.588 579 S HA 0.650 5.146 4.470 0.044 0.000 0.275 579 S C -1.454 172.884 174.600 -0.436 0.000 1.130 579 S CA -0.992 56.953 58.200 -0.426 0.000 0.855 579 S CB 1.132 64.243 63.200 -0.149 0.000 1.116 579 S HN 0.619 nan 8.310 nan 0.000 0.472 580 W N 0.104 121.407 121.300 0.005 0.000 3.018 580 W HA 0.476 5.163 4.660 0.044 0.000 0.352 580 W C -0.326 176.230 176.519 0.061 0.000 1.230 580 W CA -1.035 56.327 57.345 0.030 0.000 1.162 580 W CB 1.853 31.334 29.460 0.034 0.000 1.483 580 W HN 0.603 nan 8.180 nan 0.000 0.584 581 R N 0.989 121.707 120.500 0.364 0.000 2.390 581 R HA 0.138 4.504 4.340 0.044 0.000 0.291 581 R C 1.109 177.593 176.300 0.307 0.000 1.070 581 R CA -0.467 55.798 56.100 0.276 0.000 1.014 581 R CB 0.748 31.172 30.300 0.206 0.000 1.007 581 R HN 0.388 nan 8.270 nan 0.000 0.466 582 F N 3.031 123.076 119.950 0.159 0.000 2.082 582 F HA -0.371 4.182 4.527 0.042 0.000 0.298 582 F C 2.048 177.916 175.800 0.113 0.000 1.091 582 F CA 2.383 60.481 58.000 0.163 0.000 1.230 582 F CB -0.176 38.919 39.000 0.159 0.000 0.983 582 F HN 0.701 nan 8.300 nan 0.000 0.485 583 A N -0.372 122.569 122.820 0.203 0.000 1.940 583 A HA -0.224 4.122 4.320 0.044 0.000 0.219 583 A C 2.114 179.681 177.584 -0.029 0.000 1.176 583 A CA 1.903 53.963 52.037 0.038 0.000 0.631 583 A CB -0.854 18.205 19.000 0.099 0.000 0.814 583 A HN 0.604 nan 8.150 nan 0.000 0.446 584 E N -0.398 119.826 120.200 0.039 0.000 2.077 584 E HA -0.158 4.218 4.350 0.044 0.000 0.193 584 E C 1.886 178.428 176.600 -0.096 0.000 0.989 584 E CA 1.053 57.463 56.400 0.016 0.000 0.800 584 E CB -0.247 29.523 29.700 0.117 0.000 0.746 584 E HN 0.511 nan 8.360 nan 0.000 0.452 585 I N 0.954 121.434 120.570 -0.150 0.000 2.091 585 I HA -0.255 3.941 4.170 0.044 0.000 0.239 585 I C 2.485 178.469 176.117 -0.220 0.000 1.061 585 I CA 1.158 62.331 61.300 -0.212 0.000 1.317 585 I CB -1.304 36.599 38.000 -0.163 0.000 1.031 585 I HN 0.012 nan 8.210 nan 0.000 0.401 586 V N 1.331 121.041 119.914 -0.340 0.000 2.324 586 V HA -0.306 3.840 4.120 0.044 0.000 0.250 586 V C 2.792 178.776 176.094 -0.183 0.000 1.060 586 V CA 1.907 64.016 62.300 -0.318 0.000 1.042 586 V CB -1.219 30.388 31.823 -0.361 0.000 0.650 586 V HN 0.505 nan 8.190 nan 0.000 0.450 587 A N -0.134 122.615 122.820 -0.119 0.000 1.877 587 A HA -0.099 4.247 4.320 0.044 0.000 0.216 587 A C 2.459 180.034 177.584 -0.016 0.000 1.186 587 A CA 2.060 54.075 52.037 -0.037 0.000 0.620 587 A CB -0.850 18.140 19.000 -0.016 0.000 0.822 587 A HN 0.578 nan 8.150 nan 0.000 0.443 588 A N -0.020 122.767 122.820 -0.055 0.000 1.883 588 A HA 0.084 4.430 4.320 0.044 0.000 0.217 588 A C 2.517 179.911 177.584 -0.317 0.000 1.186 588 A CA 2.369 54.389 52.037 -0.029 0.000 0.624 588 A CB -1.113 17.943 19.000 0.093 0.000 0.822 588 A HN 1.147 nan 8.150 nan 0.000 0.444 589 A N -1.618 120.849 122.820 -0.588 0.000 1.972 589 A HA -0.108 4.239 4.320 0.044 0.000 0.219 589 A C 2.115 179.416 177.584 -0.471 0.000 1.169 589 A CA 1.723 53.154 52.037 -1.011 0.000 0.635 589 A CB -0.768 17.730 19.000 -0.838 0.000 0.810 589 A HN 0.826 nan 8.150 nan 0.000 0.446 590 Y N 0.193 120.293 120.300 -0.332 0.000 2.181 590 Y HA -0.189 4.388 4.550 0.044 0.000 0.288 590 Y C 2.215 178.012 175.900 -0.172 0.000 1.146 590 Y CA 2.019 59.992 58.100 -0.211 0.000 1.164 590 Y CB -0.264 38.110 38.460 -0.144 0.000 0.982 590 Y HN 0.220 nan 8.280 nan 0.000 0.515 591 M N -0.011 119.473 119.600 -0.193 0.000 2.279 591 M HA -0.086 4.420 4.480 0.044 0.000 0.264 591 M C 2.141 178.301 176.300 -0.233 0.000 1.062 591 M CA 1.474 56.632 55.300 -0.237 0.000 1.099 591 M CB -1.282 31.293 32.600 -0.041 0.000 1.394 591 M HN 0.500 nan 8.290 nan 0.000 0.426 592 A N -0.302 122.376 122.820 -0.237 0.000 2.238 592 A HA 0.067 4.413 4.320 0.044 0.000 0.208 592 A C 0.847 178.315 177.584 -0.193 0.000 1.177 592 A CA -0.007 51.941 52.037 -0.148 0.000 0.804 592 A CB -0.332 18.588 19.000 -0.133 0.000 0.823 592 A HN 0.555 nan 8.150 nan 0.000 0.482 593 R N -1.130 119.194 120.500 -0.293 0.000 3.261 593 R HA -0.119 4.247 4.340 0.044 0.000 0.257 593 R C -1.058 175.132 176.300 -0.184 0.000 1.014 593 R CA 0.603 56.548 56.100 -0.258 0.000 0.681 593 R CB -1.949 28.238 30.300 -0.190 0.000 1.155 593 R HN 0.541 nan 8.270 nan 0.000 0.424 594 I N 0.681 121.121 120.570 -0.216 0.000 2.354 594 I HA 0.098 4.294 4.170 0.044 0.000 0.292 594 I C 1.003 177.050 176.117 -0.116 0.000 0.989 594 I CA -0.445 60.757 61.300 -0.164 0.000 1.188 594 I CB 1.849 39.710 38.000 -0.232 0.000 1.342 594 I HN 0.134 nan 8.210 nan 0.000 0.457 595 S N 6.675 122.328 115.700 -0.078 0.000 2.546 595 S HA 0.164 4.660 4.470 0.044 0.000 0.290 595 S C 0.392 174.950 174.600 -0.070 0.000 1.290 595 S CA -0.103 58.062 58.200 -0.060 0.000 1.069 595 S CB 0.203 63.375 63.200 -0.046 0.000 0.846 595 S HN 0.519 nan 8.310 nan 0.000 0.495 596 L N 4.401 125.581 121.223 -0.072 0.000 3.034 596 L HA 0.334 4.700 4.340 0.044 0.000 0.245 596 L C 0.479 177.285 176.870 -0.108 0.000 1.295 596 L CA -0.306 54.477 54.840 -0.096 0.000 1.068 596 L CB 0.063 42.054 42.059 -0.113 0.000 1.426 596 L HN 0.589 nan 8.230 nan 0.000 0.531 597 S N 0.441 116.092 115.700 -0.080 0.000 2.569 597 S HA 0.919 5.415 4.470 0.044 0.000 0.280 597 S C -1.084 173.487 174.600 -0.048 0.000 1.111 597 S CA -0.180 57.972 58.200 -0.079 0.000 0.887 597 S CB 2.303 65.457 63.200 -0.076 0.000 1.095 597 S HN 0.228 nan 8.310 nan 0.000 0.476 598 A N 1.841 124.639 122.820 -0.035 0.000 2.594 598 A HA 0.719 5.065 4.320 0.044 0.000 0.296 598 A C -0.252 177.335 177.584 0.005 0.000 1.056 598 A CA -0.362 51.668 52.037 -0.013 0.000 0.693 598 A CB 0.911 19.905 19.000 -0.011 0.000 1.278 598 A HN 1.266 nan 8.150 nan 0.000 0.408 599 T N -0.834 113.733 114.554 0.023 0.000 2.937 599 T HA 0.915 5.291 4.350 0.044 0.000 0.283 599 T C 0.290 175.034 174.700 0.073 0.000 1.012 599 T CA -0.281 61.849 62.100 0.049 0.000 0.997 599 T CB 1.865 70.767 68.868 0.056 0.000 1.136 599 T HN 2.108 nan 8.240 nan 0.000 0.551 600 G N -0.480 108.391 108.800 0.118 0.000 2.718 600 G HA2 0.632 4.618 3.960 0.044 0.000 0.295 600 G HA3 0.632 4.618 3.960 0.044 0.000 0.295 600 G C -2.188 172.868 174.900 0.260 0.000 1.421 600 G CA -0.803 44.386 45.100 0.148 0.000 0.902 600 G HN 0.776 nan 8.290 nan 0.000 0.501 601 F N 0.516 120.509 119.950 0.072 0.000 2.668 601 F HA 0.811 5.363 4.527 0.042 0.000 0.309 601 F C -1.925 173.977 175.800 0.171 0.000 1.117 601 F CA -1.245 56.813 58.000 0.097 0.000 0.951 601 F CB 2.268 41.306 39.000 0.062 0.000 1.323 601 F HN 0.685 nan 8.300 nan 0.000 0.451 602 Y N 2.481 122.111 120.300 -1.116 0.000 2.521 602 Y HA 0.731 5.307 4.550 0.043 0.000 0.332 602 Y C -1.999 173.533 175.900 -0.614 0.000 1.121 602 Y CA -0.679 57.080 58.100 -0.568 0.000 1.037 602 Y CB 1.698 39.980 38.460 -0.296 0.000 1.330 602 Y HN 0.933 nan 8.280 nan 0.000 0.452 603 A N 3.383 125.629 122.820 -0.956 0.000 2.381 603 A HA 0.624 4.970 4.320 0.044 0.000 0.299 603 A C -0.988 176.154 177.584 -0.737 0.000 1.049 603 A CA -0.710 50.988 52.037 -0.565 0.000 0.715 603 A CB 1.037 19.945 19.000 -0.154 0.000 1.222 603 A HN 0.675 nan 8.150 nan 0.000 0.428 604 T N 5.063 119.423 114.554 -0.324 0.000 2.870 604 T HA 0.452 4.828 4.350 0.044 0.000 0.300 604 T C -1.957 172.674 174.700 -0.115 0.000 0.989 604 T CA -0.349 61.657 62.100 -0.157 0.000 1.139 604 T CB 0.396 69.328 68.868 0.107 0.000 0.920 604 T HN 0.584 nan 8.240 nan 0.000 0.537 605 P HA 0.289 nan 4.420 nan 0.000 0.289 605 P C -0.062 177.238 177.300 -0.000 0.000 1.299 605 P CA -0.706 62.367 63.100 -0.046 0.000 0.766 605 P CB 0.341 32.019 31.700 -0.036 0.000 1.226 606 K N -1.989 118.414 120.400 0.004 0.000 2.971 606 K HA -0.178 4.168 4.320 0.044 0.000 0.265 606 K C -0.366 176.243 176.600 0.014 0.000 1.052 606 K CA 0.615 56.909 56.287 0.012 0.000 0.780 606 K CB -2.240 30.271 32.500 0.018 0.000 1.214 606 K HN 0.334 nan 8.250 nan 0.000 0.478 607 L N -0.134 121.100 121.223 0.020 0.000 2.329 607 L HA 0.581 4.947 4.340 0.044 0.000 0.279 607 L C 0.082 176.988 176.870 0.060 0.000 1.014 607 L CA -0.828 54.029 54.840 0.027 0.000 0.814 607 L CB 2.077 44.153 42.059 0.029 0.000 1.257 607 L HN -0.021 nan 8.230 nan 0.000 0.424 608 S N 2.722 118.475 115.700 0.088 0.000 2.582 608 S HA 0.667 5.163 4.470 0.044 0.000 0.287 608 S C -2.099 172.631 174.600 0.218 0.000 1.146 608 S CA -0.668 57.607 58.200 0.125 0.000 0.941 608 S CB 1.094 64.331 63.200 0.063 0.000 1.115 608 S HN 0.698 nan 8.310 nan 0.000 0.458 609 W N 3.245 124.491 121.300 -0.090 0.000 3.161 609 W HA 0.584 5.270 4.660 0.043 0.000 0.314 609 W C -2.520 173.930 176.519 -0.116 0.000 1.245 609 W CA -0.859 56.411 57.345 -0.125 0.000 1.191 609 W CB 0.445 29.792 29.460 -0.189 0.000 1.392 609 W HN 0.662 nan 8.180 nan 0.000 0.568 610 D N 2.209 122.331 120.400 -0.462 0.000 2.462 610 D HA 0.321 4.987 4.640 0.044 0.000 0.245 610 D C 1.232 177.030 176.300 -0.837 0.000 1.122 610 D CA -0.382 53.208 54.000 -0.685 0.000 0.864 610 D CB 1.630 42.223 40.800 -0.345 0.000 1.098 610 D HN 0.441 nan 8.370 nan 0.000 0.541 611 R N 2.562 122.348 120.500 -1.190 0.000 2.189 611 R HA -0.196 4.170 4.340 0.044 0.000 0.252 611 R C 1.632 177.828 176.300 -0.173 0.000 1.134 611 R CA 1.724 57.384 56.100 -0.733 0.000 0.954 611 R CB -0.210 29.842 30.300 -0.413 0.000 0.890 611 R HN 0.578 nan 8.270 nan 0.000 0.443 612 L N -0.574 120.563 121.223 -0.142 0.000 2.093 612 L HA -0.154 4.212 4.340 0.044 0.000 0.208 612 L C 2.601 179.484 176.870 0.022 0.000 1.085 612 L CA 1.267 56.121 54.840 0.023 0.000 0.755 612 L CB -0.276 41.770 42.059 -0.022 0.000 0.904 612 L HN 0.240 nan 8.230 nan 0.000 0.435 613 R N -0.368 120.050 120.500 -0.136 0.000 2.161 613 R HA 0.053 4.419 4.340 0.044 0.000 0.213 613 R C 1.107 177.181 176.300 -0.377 0.000 1.055 613 R CA 0.683 56.695 56.100 -0.147 0.000 0.996 613 R CB 0.075 30.296 30.300 -0.131 0.000 0.901 613 R HN 0.452 nan 8.270 nan 0.000 0.456 614 G N 1.399 109.759 108.800 -0.733 0.000 2.182 614 G HA2 -0.203 3.783 3.960 0.044 0.000 0.248 614 G HA3 -0.203 3.783 3.960 0.044 0.000 0.248 614 G C -0.350 174.206 174.900 -0.572 0.000 1.042 614 G CA -0.124 44.115 45.100 -1.434 0.000 0.775 614 G HN 0.165 nan 8.290 nan 0.000 0.501 615 Q N -0.851 118.785 119.800 -0.274 0.000 2.372 615 Q HA 0.770 5.136 4.340 0.044 0.000 0.273 615 Q C 0.404 176.448 176.000 0.073 0.000 1.078 615 Q CA 0.301 56.061 55.803 -0.071 0.000 0.806 615 Q CB 2.209 30.900 28.738 -0.077 0.000 1.332 615 Q HN 1.536 nan 8.270 nan 0.000 0.435 616 G N 1.072 109.940 108.800 0.114 0.000 2.339 616 G HA2 0.050 4.037 3.960 0.044 0.000 0.275 616 G HA3 0.050 4.037 3.960 0.044 0.000 0.275 616 G C -1.568 173.385 174.900 0.089 0.000 1.323 616 G CA -0.923 44.264 45.100 0.145 0.000 0.927 616 G HN 0.309 nan 8.290 nan 0.000 0.486 617 R N 1.651 122.184 120.500 0.054 0.000 2.335 617 R HA 0.400 4.766 4.340 0.044 0.000 0.302 617 R C -1.808 174.361 176.300 -0.219 0.000 1.147 617 R CA -1.725 54.338 56.100 -0.061 0.000 1.111 617 R CB 1.688 31.969 30.300 -0.031 0.000 1.122 617 R HN 0.347 nan 8.270 nan 0.000 0.557 618 P HA 0.011 nan 4.420 nan 0.000 0.240 618 P C -0.413 176.356 177.300 -0.885 0.000 1.190 618 P CA 0.465 62.849 63.100 -1.194 0.000 0.781 618 P CB 0.386 30.592 31.700 -2.490 0.000 0.931 619 F N -0.785 118.953 119.950 -0.353 0.000 2.520 619 F HA 0.255 4.808 4.527 0.043 0.000 0.322 619 F C 1.533 177.131 175.800 -0.336 0.000 1.103 619 F CA -1.355 56.397 58.000 -0.413 0.000 0.926 619 F CB 1.657 40.260 39.000 -0.663 0.000 1.154 619 F HN -0.325 nan 8.300 nan 0.000 0.453 620 L N 3.400 124.590 121.223 -0.055 0.000 2.017 620 L HA -0.053 4.313 4.340 0.044 0.000 0.208 620 L C -0.227 176.680 176.870 0.062 0.000 1.073 620 L CA 1.819 56.681 54.840 0.037 0.000 0.745 620 L CB -0.442 41.739 42.059 0.204 0.000 0.894 620 L HN 0.678 nan 8.230 nan 0.000 0.432 621 Y N -5.276 114.891 120.300 -0.221 0.000 2.764 621 Y HA 0.558 5.133 4.550 0.043 0.000 0.331 621 Y C -1.346 174.283 175.900 -0.452 0.000 1.280 621 Y CA -2.417 55.545 58.100 -0.230 0.000 1.065 621 Y CB 0.322 38.759 38.460 -0.038 0.000 1.319 621 Y HN -0.210 nan 8.280 nan 0.000 0.453 622 F N 1.121 121.146 119.950 0.124 0.000 2.532 622 F HA 0.835 5.388 4.527 0.044 0.000 0.321 622 F C 0.128 175.894 175.800 -0.057 0.000 1.089 622 F CA -0.960 56.939 58.000 -0.167 0.000 0.926 622 F CB 2.319 41.115 39.000 -0.339 0.000 1.168 622 F HN 0.820 nan 8.300 nan 0.000 0.459 623 A N 2.665 125.494 122.820 0.016 0.000 2.310 623 A HA 0.769 5.115 4.320 0.044 0.000 0.299 623 A C -1.697 175.761 177.584 -0.209 0.000 1.147 623 A CA -0.250 51.827 52.037 0.067 0.000 0.818 623 A CB 0.332 19.386 19.000 0.091 0.000 1.096 623 A HN 0.697 nan 8.150 nan 0.000 0.495 624 Y N -0.020 120.175 120.300 -0.175 0.000 2.665 624 Y HA 0.776 5.353 4.550 0.044 0.000 0.336 624 Y C 0.735 176.301 175.900 -0.556 0.000 1.085 624 Y CA -0.073 57.852 58.100 -0.292 0.000 1.096 624 Y CB 2.290 40.566 38.460 -0.307 0.000 1.301 624 Y HN 1.186 nan 8.280 nan 0.000 0.493 625 G N -0.519 108.181 108.800 -0.166 0.000 2.315 625 G HA2 0.651 4.637 3.960 0.044 0.000 0.294 625 G HA3 0.651 4.637 3.960 0.044 0.000 0.294 625 G C -2.214 172.668 174.900 -0.030 0.000 1.300 625 G CA -0.131 44.873 45.100 -0.160 0.000 0.843 625 G HN 1.057 nan 8.290 nan 0.000 0.527 626 A N -1.437 121.399 122.820 0.026 0.000 2.606 626 A HA 1.097 5.443 4.320 0.044 0.000 0.293 626 A C -0.580 177.039 177.584 0.058 0.000 1.082 626 A CA 0.278 52.330 52.037 0.026 0.000 0.685 626 A CB 1.421 20.400 19.000 -0.035 0.000 1.284 626 A HN 2.593 nan 8.150 nan 0.000 0.408 627 A N 0.803 123.657 122.820 0.056 0.000 2.459 627 A HA 0.718 5.065 4.320 0.044 0.000 0.296 627 A C -1.299 176.294 177.584 0.015 0.000 1.039 627 A CA -0.226 51.844 52.037 0.056 0.000 0.698 627 A CB 0.789 19.876 19.000 0.146 0.000 1.261 627 A HN 0.832 nan 8.150 nan 0.000 0.405 628 I N 2.197 122.746 120.570 -0.034 0.000 2.355 628 I HA 0.387 4.583 4.170 0.044 0.000 0.288 628 I C -0.097 176.021 176.117 0.001 0.000 0.999 628 I CA -0.085 61.179 61.300 -0.059 0.000 1.163 628 I CB 2.149 40.052 38.000 -0.162 0.000 1.316 628 I HN 0.605 nan 8.210 nan 0.000 0.454 629 T N 5.521 120.105 114.554 0.050 0.000 2.859 629 T HA 0.312 4.688 4.350 0.044 0.000 0.281 629 T C -0.541 174.186 174.700 0.044 0.000 1.005 629 T CA -0.565 61.566 62.100 0.051 0.000 1.025 629 T CB 1.677 70.615 68.868 0.116 0.000 0.977 629 T HN 0.542 nan 8.240 nan 0.000 0.458 630 E N 2.311 122.515 120.200 0.007 0.000 2.187 630 E HA 0.620 4.996 4.350 0.044 0.000 0.268 630 E C -0.896 175.676 176.600 -0.048 0.000 0.896 630 E CA -0.789 55.603 56.400 -0.014 0.000 0.766 630 E CB 1.194 30.878 29.700 -0.026 0.000 1.142 630 E HN 0.496 nan 8.360 nan 0.000 0.408 631 V N 0.645 120.524 119.914 -0.058 0.000 3.167 631 V HA 0.795 4.941 4.120 0.044 0.000 0.310 631 V C -1.035 175.003 176.094 -0.092 0.000 1.207 631 V CA -0.758 61.499 62.300 -0.071 0.000 1.059 631 V CB 1.813 33.603 31.823 -0.055 0.000 1.079 631 V HN 0.428 nan 8.190 nan 0.000 0.446 632 V N 1.791 121.656 119.914 -0.081 0.000 2.841 632 V HA 0.725 4.871 4.120 0.044 0.000 0.310 632 V C -0.281 175.794 176.094 -0.032 0.000 1.090 632 V CA -0.334 61.928 62.300 -0.064 0.000 0.930 632 V CB 1.443 33.233 31.823 -0.055 0.000 1.014 632 V HN 1.204 nan 8.190 nan 0.000 0.425 633 I N -0.384 120.181 120.570 -0.008 0.000 3.002 633 I HA 0.878 5.074 4.170 0.044 0.000 0.310 633 I C -1.388 174.739 176.117 0.016 0.000 1.087 633 I CA -0.680 60.612 61.300 -0.013 0.000 1.017 633 I CB 2.514 40.491 38.000 -0.039 0.000 1.226 633 I HN 0.681 nan 8.210 nan 0.000 0.443 634 D N 2.551 122.953 120.400 0.003 0.000 2.414 634 D HA 0.339 5.005 4.640 0.044 0.000 0.232 634 D C 0.467 176.764 176.300 -0.005 0.000 1.070 634 D CA -0.644 53.363 54.000 0.011 0.000 0.839 634 D CB 1.444 42.248 40.800 0.008 0.000 1.079 634 D HN 0.492 nan 8.370 nan 0.000 0.521 635 R N 2.839 123.337 120.500 -0.004 0.000 2.341 635 R HA -0.006 4.360 4.340 0.044 0.000 0.213 635 R C 1.122 177.411 176.300 -0.018 0.000 1.082 635 R CA 0.575 56.665 56.100 -0.016 0.000 1.017 635 R CB 0.018 30.308 30.300 -0.015 0.000 0.860 635 R HN 0.601 nan 8.270 nan 0.000 0.473 636 L N -0.761 120.453 121.223 -0.015 0.000 2.189 636 L HA -0.030 4.336 4.340 0.044 0.000 0.199 636 L C 2.130 178.989 176.870 -0.018 0.000 1.074 636 L CA 1.436 56.266 54.840 -0.016 0.000 0.783 636 L CB -0.157 41.894 42.059 -0.013 0.000 0.955 636 L HN 0.203 nan 8.230 nan 0.000 0.460 637 T N -4.931 109.613 114.554 -0.017 0.000 2.971 637 T HA 0.308 4.684 4.350 0.044 0.000 0.252 637 T C 1.309 175.994 174.700 -0.025 0.000 1.022 637 T CA 0.523 62.612 62.100 -0.020 0.000 0.980 637 T CB 1.091 69.948 68.868 -0.018 0.000 1.044 637 T HN 0.399 nan 8.240 nan 0.000 0.501 638 G N 1.462 110.246 108.800 -0.027 0.000 2.179 638 G HA2 -0.201 3.785 3.960 0.044 0.000 0.220 638 G HA3 -0.201 3.785 3.960 0.044 0.000 0.220 638 G C -0.215 174.664 174.900 -0.035 0.000 0.990 638 G CA -0.172 44.906 45.100 -0.035 0.000 0.646 638 G HN 0.634 nan 8.290 nan 0.000 0.517 639 E N 0.598 120.782 120.200 -0.027 0.000 2.418 639 E HA 0.429 4.805 4.350 0.044 0.000 0.261 639 E C 0.518 177.101 176.600 -0.028 0.000 1.070 639 E CA 0.830 57.214 56.400 -0.027 0.000 0.931 639 E CB 0.327 30.015 29.700 -0.019 0.000 0.954 639 E HN 0.797 nan 8.360 nan 0.000 0.439 640 N N 0.288 118.969 118.700 -0.033 0.000 3.185 640 N HA 0.434 5.200 4.740 0.044 0.000 0.238 640 N C -1.554 173.932 175.510 -0.039 0.000 1.451 640 N CA -1.110 51.919 53.050 -0.036 0.000 0.888 640 N CB 1.400 39.858 38.487 -0.048 0.000 1.413 640 N HN 0.519 nan 8.380 nan 0.000 0.511 641 R N -0.085 120.390 120.500 -0.042 0.000 2.712 641 R HA 0.469 4.835 4.340 0.044 0.000 0.272 641 R C -1.786 174.483 176.300 -0.052 0.000 1.032 641 R CA -0.955 55.118 56.100 -0.045 0.000 0.874 641 R CB 0.800 31.078 30.300 -0.035 0.000 1.256 641 R HN 0.557 nan 8.270 nan 0.000 0.468 642 I N 3.361 123.899 120.570 -0.053 0.000 2.337 642 I HA 0.103 4.299 4.170 0.044 0.000 0.291 642 I C 1.179 177.253 176.117 -0.072 0.000 1.046 642 I CA -0.465 60.800 61.300 -0.057 0.000 1.324 642 I CB 1.279 39.251 38.000 -0.047 0.000 1.409 642 I HN 0.559 nan 8.210 nan 0.000 0.494 643 L N 5.831 127.007 121.223 -0.078 0.000 2.127 643 L HA 0.155 4.521 4.340 0.044 0.000 0.203 643 L C 1.064 177.883 176.870 -0.086 0.000 1.080 643 L CA 0.743 55.534 54.840 -0.082 0.000 0.768 643 L CB -0.108 41.890 42.059 -0.101 0.000 0.924 643 L HN 0.584 nan 8.230 nan 0.000 0.444 644 R N -0.881 119.563 120.500 -0.092 0.000 2.594 644 R HA 0.433 4.799 4.340 0.044 0.000 0.265 644 R C -1.688 174.540 176.300 -0.121 0.000 1.070 644 R CA -0.374 55.667 56.100 -0.097 0.000 0.909 644 R CB 2.054 32.320 30.300 -0.057 0.000 1.243 644 R HN -0.216 nan 8.270 nan 0.000 0.455 645 T N 2.086 116.528 114.554 -0.187 0.000 2.909 645 T HA 0.416 4.792 4.350 0.044 0.000 0.299 645 T C -1.689 172.936 174.700 -0.125 0.000 1.073 645 T CA -0.637 61.318 62.100 -0.241 0.000 0.999 645 T CB 1.787 70.261 68.868 -0.657 0.000 1.098 645 T HN 0.611 nan 8.240 nan 0.000 0.477 646 D N 1.232 121.582 120.400 -0.083 0.000 2.788 646 D HA 0.585 5.251 4.640 0.044 0.000 0.247 646 D C -0.837 175.453 176.300 -0.017 0.000 1.236 646 D CA -0.326 53.664 54.000 -0.017 0.000 0.898 646 D CB 1.532 42.329 40.800 -0.005 0.000 1.401 646 D HN 0.340 nan 8.370 nan 0.000 0.549 647 I N 1.756 122.335 120.570 0.015 0.000 2.740 647 I HA 0.532 4.728 4.170 0.044 0.000 0.303 647 I C -1.306 174.852 176.117 0.069 0.000 1.044 647 I CA -1.197 60.128 61.300 0.041 0.000 1.064 647 I CB 2.031 40.063 38.000 0.054 0.000 1.249 647 I HN 0.149 nan 8.210 nan 0.000 0.433 648 L N 5.128 126.405 121.223 0.090 0.000 2.471 648 L HA 0.478 4.844 4.340 0.044 0.000 0.263 648 L C -1.282 175.675 176.870 0.146 0.000 0.985 648 L CA -0.022 54.887 54.840 0.116 0.000 0.868 648 L CB 0.896 43.007 42.059 0.087 0.000 1.203 648 L HN 0.592 nan 8.230 nan 0.000 0.429 649 H N 1.709 120.824 119.070 0.076 0.000 2.731 649 H HA 0.617 5.199 4.556 0.044 0.000 0.368 649 H C -1.345 174.062 175.328 0.132 0.000 1.168 649 H CA -0.620 55.470 56.048 0.069 0.000 1.181 649 H CB 1.801 31.602 29.762 0.064 0.000 1.743 649 H HN 0.627 nan 8.280 nan 0.000 0.547 650 D N 2.591 122.845 120.400 -0.244 0.000 2.427 650 D HA 0.303 4.969 4.640 0.044 0.000 0.226 650 D C -0.551 175.840 176.300 0.151 0.000 1.076 650 D CA -0.453 53.587 54.000 0.067 0.000 0.849 650 D CB 0.925 41.719 40.800 -0.011 0.000 1.052 650 D HN 0.619 nan 8.370 nan 0.000 0.515 651 A N 3.395 126.363 122.820 0.245 0.000 2.610 651 A HA 0.645 4.991 4.320 0.044 0.000 0.286 651 A C 1.295 178.967 177.584 0.145 0.000 1.306 651 A CA 0.234 52.399 52.037 0.213 0.000 0.942 651 A CB -0.749 18.366 19.000 0.192 0.000 1.112 651 A HN 0.986 nan 8.150 nan 0.000 0.527 652 G N -0.012 108.881 108.800 0.155 0.000 2.574 652 G HA2 0.091 4.077 3.960 0.044 0.000 0.282 652 G HA3 0.091 4.077 3.960 0.044 0.000 0.282 652 G C 0.599 175.531 174.900 0.055 0.000 1.257 652 G CA 0.026 45.178 45.100 0.087 0.000 0.956 652 G HN 1.823 nan 8.290 nan 0.000 0.560 653 A N -0.005 122.829 122.820 0.023 0.000 2.805 653 A HA 0.625 4.971 4.320 0.044 0.000 0.301 653 A C 1.092 178.691 177.584 0.024 0.000 1.557 653 A CA 1.504 53.550 52.037 0.016 0.000 1.254 653 A CB -0.629 18.384 19.000 0.021 0.000 1.114 653 A HN 2.378 nan 8.150 nan 0.000 0.553 654 S N 2.109 117.826 115.700 0.027 0.000 2.715 654 S HA -0.030 4.466 4.470 0.044 0.000 0.318 654 S C 1.210 175.810 174.600 -0.001 0.000 1.242 654 S CA -0.042 58.172 58.200 0.024 0.000 1.044 654 S CB -0.206 63.008 63.200 0.023 0.000 0.760 654 S HN 0.572 nan 8.310 nan 0.000 0.501 655 L N 3.281 124.503 121.223 -0.002 0.000 2.362 655 L HA 0.055 4.421 4.340 0.044 0.000 0.219 655 L C 1.257 178.097 176.870 -0.051 0.000 1.134 655 L CA 0.671 55.490 54.840 -0.035 0.000 0.807 655 L CB -0.366 41.680 42.059 -0.021 0.000 0.927 655 L HN 0.743 nan 8.230 nan 0.000 0.447 656 N N -1.449 117.233 118.700 -0.031 0.000 3.112 656 N HA 0.084 4.851 4.740 0.044 0.000 0.231 656 N C -2.411 173.088 175.510 -0.017 0.000 1.385 656 N CA -0.896 52.134 53.050 -0.033 0.000 0.790 656 N CB 1.130 39.593 38.487 -0.040 0.000 1.563 656 N HN -0.300 nan 8.380 nan 0.000 0.613 657 P HA -0.078 nan 4.420 nan 0.000 0.215 657 P C 1.219 178.515 177.300 -0.007 0.000 1.153 657 P CA 1.718 64.816 63.100 -0.004 0.000 0.853 657 P CB 0.323 32.019 31.700 -0.007 0.000 0.788 658 A N -0.001 122.812 122.820 -0.011 0.000 1.859 658 A HA -0.214 4.132 4.320 0.044 0.000 0.217 658 A C 2.259 179.841 177.584 -0.002 0.000 1.198 658 A CA 1.838 53.870 52.037 -0.008 0.000 0.629 658 A CB -1.770 17.229 19.000 -0.003 0.000 0.830 658 A HN 0.112 nan 8.150 nan 0.000 0.446 659 L N -0.665 120.559 121.223 0.002 0.000 2.127 659 L HA -0.217 4.149 4.340 0.044 0.000 0.211 659 L C 1.987 178.860 176.870 0.004 0.000 1.089 659 L CA 1.499 56.345 54.840 0.010 0.000 0.757 659 L CB -0.750 41.309 42.059 -0.001 0.000 0.899 659 L HN 0.378 nan 8.230 nan 0.000 0.434 660 D N -0.022 120.378 120.400 0.000 0.000 2.120 660 D HA -0.101 4.565 4.640 0.044 0.000 0.202 660 D C 2.253 178.545 176.300 -0.012 0.000 0.972 660 D CA 0.815 54.817 54.000 0.003 0.000 0.837 660 D CB 0.031 40.844 40.800 0.023 0.000 0.989 660 D HN 0.108 nan 8.370 nan 0.000 0.469 661 I N 1.312 121.871 120.570 -0.017 0.000 2.335 661 I HA -0.151 4.045 4.170 0.044 0.000 0.251 661 I C 2.449 178.530 176.117 -0.061 0.000 1.129 661 I CA 1.115 62.387 61.300 -0.046 0.000 1.402 661 I CB -1.576 36.388 38.000 -0.059 0.000 1.069 661 I HN -0.014 nan 8.210 nan 0.000 0.424 662 G N -0.001 108.780 108.800 -0.032 0.000 2.422 662 G HA2 -0.202 3.784 3.960 0.044 0.000 0.218 662 G HA3 -0.202 3.784 3.960 0.044 0.000 0.218 662 G C 1.534 176.434 174.900 0.000 0.000 1.140 662 G CA 0.164 45.253 45.100 -0.019 0.000 0.775 662 G HN 0.385 nan 8.290 nan 0.000 0.545 663 Q N -0.027 119.772 119.800 -0.001 0.000 2.137 663 Q HA 0.074 4.440 4.340 0.044 0.000 0.198 663 Q C 2.744 178.737 176.000 -0.012 0.000 0.960 663 Q CA 0.523 56.333 55.803 0.012 0.000 0.847 663 Q CB -0.096 28.642 28.738 -0.001 0.000 0.915 663 Q HN 0.558 nan 8.270 nan 0.000 0.448 664 I N 0.853 121.383 120.570 -0.065 0.000 2.208 664 I HA -0.273 3.923 4.170 0.044 0.000 0.245 664 I C 2.093 178.224 176.117 0.022 0.000 1.097 664 I CA 1.321 62.569 61.300 -0.086 0.000 1.363 664 I CB -0.403 37.517 38.000 -0.132 0.000 1.051 664 I HN 0.235 nan 8.210 nan 0.000 0.413 665 E N 1.127 121.312 120.200 -0.025 0.000 2.017 665 E HA -0.161 4.215 4.350 0.044 0.000 0.193 665 E C 2.340 179.050 176.600 0.182 0.000 0.997 665 E CA 1.355 57.755 56.400 0.000 0.000 0.804 665 E CB -0.396 29.155 29.700 -0.249 0.000 0.757 665 E HN 0.566 nan 8.360 nan 0.000 0.448 666 G N 0.756 109.622 108.800 0.111 0.000 2.422 666 G HA2 -0.245 3.741 3.960 0.044 0.000 0.218 666 G HA3 -0.245 3.741 3.960 0.044 0.000 0.218 666 G C 1.620 176.612 174.900 0.153 0.000 1.146 666 G CA 0.870 46.054 45.100 0.140 0.000 0.769 666 G HN 0.340 nan 8.290 nan 0.000 0.547 667 A N -0.072 122.835 122.820 0.145 0.000 1.929 667 A HA 0.051 4.397 4.320 0.044 0.000 0.216 667 A C 2.123 179.737 177.584 0.050 0.000 1.176 667 A CA 1.507 53.633 52.037 0.148 0.000 0.628 667 A CB -0.638 18.450 19.000 0.147 0.000 0.816 667 A HN 0.462 nan 8.150 nan 0.000 0.444 668 Y N 0.731 121.035 120.300 0.007 0.000 2.081 668 Y HA -0.256 4.320 4.550 0.043 0.000 0.280 668 Y C 2.315 178.163 175.900 -0.087 0.000 1.163 668 Y CA 2.220 60.301 58.100 -0.031 0.000 1.135 668 Y CB -0.497 38.020 38.460 0.096 0.000 0.970 668 Y HN 0.064 nan 8.280 nan 0.000 0.498 669 V N 0.742 120.748 119.914 0.154 0.000 2.252 669 V HA -0.410 3.736 4.120 0.044 0.000 0.249 669 V C 2.447 178.448 176.094 -0.155 0.000 1.056 669 V CA 2.509 64.813 62.300 0.007 0.000 1.022 669 V CB -0.830 31.057 31.823 0.108 0.000 0.641 669 V HN 0.542 nan 8.190 nan 0.000 0.445 670 Q N -0.513 119.220 119.800 -0.111 0.000 2.124 670 Q HA -0.140 4.227 4.340 0.044 0.000 0.202 670 Q C 2.241 178.009 176.000 -0.386 0.000 0.977 670 Q CA 1.769 57.505 55.803 -0.112 0.000 0.850 670 Q CB -0.457 28.326 28.738 0.074 0.000 0.901 670 Q HN 0.699 nan 8.270 nan 0.000 0.429 671 G N 0.241 108.544 108.800 -0.828 0.000 2.433 671 G HA2 -0.284 3.702 3.960 0.044 0.000 0.216 671 G HA3 -0.284 3.702 3.960 0.044 0.000 0.216 671 G C 1.439 176.002 174.900 -0.560 0.000 1.186 671 G CA 0.891 45.159 45.100 -1.387 0.000 0.779 671 G HN 0.488 nan 8.290 nan 0.000 0.543 672 A N 0.978 123.465 122.820 -0.555 0.000 1.908 672 A HA 0.099 4.445 4.320 0.044 0.000 0.218 672 A C 2.752 180.213 177.584 -0.205 0.000 1.181 672 A CA 2.233 54.037 52.037 -0.389 0.000 0.627 672 A CB -1.261 17.450 19.000 -0.482 0.000 0.818 672 A HN 0.644 nan 8.150 nan 0.000 0.445 673 G N -1.249 107.444 108.800 -0.178 0.000 2.513 673 G HA2 -0.369 3.617 3.960 0.044 0.000 0.219 673 G HA3 -0.369 3.617 3.960 0.044 0.000 0.219 673 G C 1.352 176.249 174.900 -0.005 0.000 1.160 673 G CA 1.359 46.404 45.100 -0.091 0.000 0.767 673 G HN 0.712 nan 8.290 nan 0.000 0.571 674 W N 1.170 122.337 121.300 -0.223 0.000 2.342 674 W HA 0.028 4.715 4.660 0.045 0.000 0.297 674 W C 1.715 178.141 176.519 -0.154 0.000 1.213 674 W CA 1.049 58.292 57.345 -0.170 0.000 1.251 674 W CB -0.288 29.066 29.460 -0.176 0.000 1.136 674 W HN 0.135 nan 8.180 nan 0.000 0.526 675 L N 0.908 121.967 121.223 -0.273 0.000 2.791 675 L HA 0.199 4.565 4.340 0.044 0.000 0.239 675 L C 1.341 178.124 176.870 -0.146 0.000 1.203 675 L CA 0.799 55.374 54.840 -0.442 0.000 1.002 675 L CB -0.720 41.030 42.059 -0.515 0.000 1.295 675 L HN 0.050 nan 8.230 nan 0.000 0.504 676 T N -6.526 107.957 114.554 -0.119 0.000 3.560 676 T HA -0.035 4.341 4.350 0.044 0.000 0.217 676 T C 1.393 176.033 174.700 -0.099 0.000 0.934 676 T CA 0.691 62.743 62.100 -0.079 0.000 1.074 676 T CB -0.021 68.798 68.868 -0.082 0.000 1.156 676 T HN 0.047 nan 8.240 nan 0.000 0.342 677 T N 0.412 114.890 114.554 -0.127 0.000 3.022 677 T HA 0.320 4.696 4.350 0.044 0.000 0.250 677 T C 0.379 174.937 174.700 -0.236 0.000 1.060 677 T CA -0.260 61.743 62.100 -0.162 0.000 1.013 677 T CB -0.286 68.481 68.868 -0.168 0.000 0.982 677 T HN 0.561 nan 8.240 nan 0.000 0.508 678 E N 2.148 122.213 120.200 -0.226 0.000 2.324 678 E HA 0.345 4.721 4.350 0.044 0.000 0.271 678 E C -0.340 176.206 176.600 -0.091 0.000 1.028 678 E CA -0.070 56.126 56.400 -0.340 0.000 0.890 678 E CB 0.780 30.391 29.700 -0.148 0.000 1.004 678 E HN 0.556 nan 8.360 nan 0.000 0.431 679 E N 4.381 124.549 120.200 -0.052 0.000 2.274 679 E HA 0.233 4.609 4.350 0.044 0.000 0.269 679 E C -1.419 175.273 176.600 0.153 0.000 0.891 679 E CA -0.531 55.915 56.400 0.077 0.000 0.784 679 E CB 1.027 30.726 29.700 -0.002 0.000 1.225 679 E HN 0.389 nan 8.360 nan 0.000 0.412 680 L N 3.432 124.727 121.223 0.119 0.000 2.357 680 L HA 0.599 4.965 4.340 0.044 0.000 0.273 680 L C -0.697 176.071 176.870 -0.169 0.000 1.080 680 L CA -0.840 53.947 54.840 -0.089 0.000 0.803 680 L CB 1.652 43.605 42.059 -0.177 0.000 1.174 680 L HN 0.369 nan 8.230 nan 0.000 0.443 681 V N 1.088 120.773 119.914 -0.382 0.000 2.668 681 V HA 0.401 4.547 4.120 0.044 0.000 0.304 681 V C -1.031 174.881 176.094 -0.304 0.000 1.071 681 V CA -0.715 61.478 62.300 -0.177 0.000 0.894 681 V CB 2.078 33.871 31.823 -0.051 0.000 1.008 681 V HN 0.601 nan 8.190 nan 0.000 0.425 682 W N 2.902 124.229 121.300 0.045 0.000 2.606 682 W HA 0.498 5.183 4.660 0.043 0.000 0.332 682 W C -0.304 176.227 176.519 0.019 0.000 1.052 682 W CA -0.420 56.940 57.345 0.026 0.000 1.223 682 W CB 2.379 31.851 29.460 0.021 0.000 1.383 682 W HN 0.782 nan 8.180 nan 0.000 0.524 683 D N -0.104 120.408 120.400 0.187 0.000 2.478 683 D HA 0.005 4.671 4.640 0.044 0.000 0.263 683 D C 1.637 177.964 176.300 0.045 0.000 1.153 683 D CA -0.081 53.976 54.000 0.095 0.000 1.038 683 D CB 0.075 40.863 40.800 -0.020 0.000 1.120 683 D HN 0.527 nan 8.370 nan 0.000 0.564 684 H N -0.847 118.269 119.070 0.077 0.000 2.460 684 H HA -0.130 4.453 4.556 0.044 0.000 0.297 684 H C 1.104 176.456 175.328 0.040 0.000 1.103 684 H CA 1.138 57.218 56.048 0.052 0.000 1.292 684 H CB -0.990 28.791 29.762 0.032 0.000 1.376 684 H HN 0.294 nan 8.280 nan 0.000 0.531 685 C N 0.710 119.779 119.300 -0.385 0.000 2.626 685 C HA 0.371 4.857 4.460 0.044 0.000 0.266 685 C C 2.051 176.991 174.990 -0.085 0.000 1.317 685 C CA 0.494 59.393 59.018 -0.199 0.000 1.716 685 C CB -0.691 26.884 27.740 -0.275 0.000 1.819 685 C HN 0.945 nan 8.230 nan 0.000 0.578 686 G N 0.836 109.629 108.800 -0.011 0.000 2.175 686 G HA2 -0.231 3.755 3.960 0.044 0.000 0.244 686 G HA3 -0.231 3.755 3.960 0.044 0.000 0.244 686 G C 0.198 175.239 174.900 0.235 0.000 0.982 686 G CA -0.336 44.810 45.100 0.077 0.000 0.641 686 G HN 0.562 nan 8.290 nan 0.000 0.527 687 R N -0.195 120.377 120.500 0.119 0.000 2.537 687 R HA 0.393 4.759 4.340 0.044 0.000 0.280 687 R C 0.360 176.735 176.300 0.125 0.000 1.058 687 R CA -0.520 55.636 56.100 0.094 0.000 1.057 687 R CB 0.613 30.892 30.300 -0.035 0.000 0.973 687 R HN 0.243 nan 8.270 nan 0.000 0.438 688 L N 4.221 125.460 121.223 0.026 0.000 2.369 688 L HA 0.017 4.383 4.340 0.044 0.000 0.279 688 L C 0.771 177.558 176.870 -0.139 0.000 1.108 688 L CA 0.400 55.079 54.840 -0.267 0.000 0.852 688 L CB 0.848 42.771 42.059 -0.228 0.000 1.169 688 L HN 0.689 nan 8.230 nan 0.000 0.452 689 M N 1.860 121.363 119.600 -0.163 0.000 2.334 689 M HA 0.083 4.589 4.480 0.044 0.000 0.266 689 M C 0.861 177.185 176.300 0.040 0.000 1.082 689 M CA 0.698 55.995 55.300 -0.004 0.000 1.141 689 M CB -1.109 31.480 32.600 -0.018 0.000 1.380 689 M HN 0.654 nan 8.290 nan 0.000 0.440 690 T N 0.513 115.017 114.554 -0.083 0.000 3.005 690 T HA 0.289 4.665 4.350 0.044 0.000 0.323 690 T C 0.191 174.885 174.700 -0.011 0.000 1.131 690 T CA -0.544 61.527 62.100 -0.049 0.000 0.977 690 T CB -0.688 68.168 68.868 -0.020 0.000 1.055 690 T HN 0.448 nan 8.240 nan 0.000 0.562 691 H N 0.901 119.935 119.070 -0.059 0.000 2.624 691 H HA 0.654 5.236 4.556 0.043 0.000 0.233 691 H C -0.622 174.720 175.328 0.023 0.000 1.376 691 H CA -0.990 55.032 56.048 -0.043 0.000 1.137 691 H CB -0.298 29.436 29.762 -0.047 0.000 1.867 691 H HN 0.791 nan 8.280 nan 0.000 0.547 692 A N 1.340 124.116 122.820 -0.074 0.000 2.592 692 A HA 0.314 4.660 4.320 0.044 0.000 0.300 692 A C -2.668 174.920 177.584 0.007 0.000 0.994 692 A CA -1.004 51.022 52.037 -0.019 0.000 0.707 692 A CB 0.722 19.632 19.000 -0.150 0.000 1.273 692 A HN 0.076 nan 8.150 nan 0.000 0.413 693 P HA -0.154 nan 4.420 nan 0.000 0.219 693 P C 1.692 178.942 177.300 -0.084 0.000 1.146 693 P CA 2.219 65.267 63.100 -0.087 0.000 0.808 693 P CB 0.113 31.806 31.700 -0.012 0.000 0.779 694 S N -0.934 114.734 115.700 -0.053 0.000 2.442 694 S HA -0.118 4.378 4.470 0.044 0.000 0.236 694 S C 1.621 176.175 174.600 -0.078 0.000 1.007 694 S CA 1.947 60.109 58.200 -0.063 0.000 0.965 694 S CB -1.380 61.787 63.200 -0.055 0.000 0.773 694 S HN 0.339 nan 8.310 nan 0.000 0.504 695 T N -3.590 110.916 114.554 -0.080 0.000 2.975 695 T HA 0.275 4.651 4.350 0.044 0.000 0.261 695 T C -0.062 174.615 174.700 -0.039 0.000 0.984 695 T CA -0.432 61.626 62.100 -0.070 0.000 0.911 695 T CB -0.299 68.520 68.868 -0.082 0.000 1.127 695 T HN 0.369 nan 8.240 nan 0.000 0.514 696 Y N 3.163 123.369 120.300 -0.156 0.000 2.342 696 Y HA 0.562 5.138 4.550 0.044 0.000 0.338 696 Y C -0.991 174.781 175.900 -0.212 0.000 0.965 696 Y CA -1.469 56.533 58.100 -0.163 0.000 1.159 696 Y CB 0.925 39.294 38.460 -0.151 0.000 1.157 696 Y HN -0.158 nan 8.280 nan 0.000 0.486 697 K N 9.059 129.054 120.400 -0.674 0.000 2.404 697 K HA 0.301 4.647 4.320 0.044 0.000 0.257 697 K C -0.171 176.144 176.600 -0.474 0.000 1.026 697 K CA -0.420 55.586 56.287 -0.468 0.000 0.951 697 K CB 0.571 32.900 32.500 -0.285 0.000 1.203 697 K HN 0.808 nan 8.250 nan 0.000 0.446 698 I N -0.600 119.724 120.570 -0.409 0.000 3.004 698 I HA 0.304 4.500 4.170 0.044 0.000 0.287 698 I C -1.952 174.067 176.117 -0.162 0.000 1.144 698 I CA -2.278 58.872 61.300 -0.251 0.000 1.353 698 I CB -0.174 37.722 38.000 -0.173 0.000 1.417 698 I HN 0.146 nan 8.210 nan 0.000 0.602 699 P HA 0.143 nan 4.420 nan 0.000 0.264 699 P C -0.758 176.520 177.300 -0.037 0.000 1.193 699 P CA 0.123 63.179 63.100 -0.073 0.000 0.763 699 P CB 0.686 32.350 31.700 -0.059 0.000 0.810 700 A N 2.865 125.678 122.820 -0.013 0.000 2.281 700 A HA 0.408 4.754 4.320 0.044 0.000 0.329 700 A C 0.938 178.582 177.584 0.099 0.000 1.122 700 A CA -0.594 51.473 52.037 0.050 0.000 0.850 700 A CB -0.038 18.994 19.000 0.053 0.000 1.207 700 A HN 0.546 nan 8.150 nan 0.000 0.495 701 F N 1.651 121.607 119.950 0.011 0.000 2.050 701 F HA -0.371 4.182 4.527 0.043 0.000 0.294 701 F C 2.828 178.639 175.800 0.019 0.000 1.113 701 F CA 3.433 61.448 58.000 0.025 0.000 1.225 701 F CB -0.134 38.879 39.000 0.022 0.000 0.953 701 F HN 0.606 nan 8.300 nan 0.000 0.501 702 S N -0.528 115.400 115.700 0.379 0.000 2.469 702 S HA -0.189 4.307 4.470 0.044 0.000 0.238 702 S C 1.356 176.008 174.600 0.086 0.000 0.998 702 S CA 1.446 59.785 58.200 0.232 0.000 0.957 702 S CB -0.739 62.549 63.200 0.147 0.000 0.764 702 S HN 0.539 nan 8.310 nan 0.000 0.514 703 D N 1.828 122.250 120.400 0.036 0.000 2.349 703 D HA 0.021 4.687 4.640 0.044 0.000 0.224 703 D C 0.817 177.096 176.300 -0.036 0.000 1.029 703 D CA 0.134 54.128 54.000 -0.011 0.000 0.879 703 D CB -0.300 40.480 40.800 -0.033 0.000 0.906 703 D HN 0.749 nan 8.370 nan 0.000 0.528 704 R N 1.240 121.713 120.500 -0.044 0.000 2.679 704 R HA 0.250 4.616 4.340 0.044 0.000 0.268 704 R C -2.591 173.656 176.300 -0.089 0.000 1.044 704 R CA -1.097 54.962 56.100 -0.069 0.000 1.105 704 R CB -0.642 29.609 30.300 -0.082 0.000 0.989 704 R HN -0.208 nan 8.270 nan 0.000 0.447 705 P HA 0.035 nan 4.420 nan 0.000 0.269 705 P C -0.061 177.176 177.300 -0.104 0.000 1.209 705 P CA -0.325 62.634 63.100 -0.234 0.000 0.776 705 P CB 0.650 32.006 31.700 -0.573 0.000 0.876 706 R N 1.768 122.233 120.500 -0.059 0.000 2.193 706 R HA 0.206 4.572 4.340 0.044 0.000 0.213 706 R C 0.576 176.889 176.300 0.023 0.000 1.055 706 R CA 0.709 56.809 56.100 -0.001 0.000 0.995 706 R CB -0.094 30.203 30.300 -0.006 0.000 0.893 706 R HN 0.516 nan 8.270 nan 0.000 0.459 707 I N 0.361 120.932 120.570 0.003 0.000 2.468 707 I HA 0.260 4.456 4.170 0.044 0.000 0.285 707 I C -1.243 174.911 176.117 0.061 0.000 1.039 707 I CA -0.491 60.831 61.300 0.038 0.000 1.074 707 I CB 2.104 40.108 38.000 0.007 0.000 1.228 707 I HN -0.107 nan 8.210 nan 0.000 0.436 708 F N 6.967 126.875 119.950 -0.070 0.000 2.810 708 F HA 0.411 4.964 4.527 0.043 0.000 0.373 708 F C -0.679 175.065 175.800 -0.094 0.000 1.174 708 F CA -0.952 56.982 58.000 -0.111 0.000 1.141 708 F CB 0.822 39.758 39.000 -0.106 0.000 1.420 708 F HN 0.431 nan 8.300 nan 0.000 0.518 709 N N 5.058 123.881 118.700 0.205 0.000 2.425 709 N HA 0.375 5.141 4.740 0.044 0.000 0.268 709 N C -0.926 174.601 175.510 0.029 0.000 0.991 709 N CA -0.286 52.800 53.050 0.060 0.000 0.931 709 N CB 2.504 41.016 38.487 0.042 0.000 1.130 709 N HN 0.156 nan 8.380 nan 0.000 0.493 710 V N 0.672 120.551 119.914 -0.057 0.000 2.540 710 V HA 0.873 5.019 4.120 0.044 0.000 0.302 710 V C -0.128 175.957 176.094 -0.015 0.000 1.035 710 V CA -0.852 61.418 62.300 -0.051 0.000 0.873 710 V CB 1.428 33.159 31.823 -0.153 0.000 0.992 710 V HN 0.804 nan 8.190 nan 0.000 0.428 711 A N 4.618 127.459 122.820 0.035 0.000 2.515 711 A HA 0.881 5.227 4.320 0.044 0.000 0.298 711 A C -1.279 176.370 177.584 0.108 0.000 1.059 711 A CA -0.595 51.476 52.037 0.057 0.000 0.698 711 A CB 1.489 20.526 19.000 0.062 0.000 1.289 711 A HN 0.745 nan 8.150 nan 0.000 0.404 712 L N 1.733 123.023 121.223 0.112 0.000 2.343 712 L HA 0.394 4.761 4.340 0.044 0.000 0.275 712 L C -0.237 176.763 176.870 0.217 0.000 1.056 712 L CA -0.531 54.408 54.840 0.166 0.000 0.804 712 L CB 1.334 43.461 42.059 0.114 0.000 1.203 712 L HN 0.837 nan 8.230 nan 0.000 0.440 713 W N 3.881 125.202 121.300 0.036 0.000 2.331 713 W HA 0.185 4.871 4.660 0.043 0.000 0.306 713 W C -0.986 175.538 176.519 0.009 0.000 1.162 713 W CA -0.445 56.906 57.345 0.011 0.000 1.232 713 W CB 1.512 30.970 29.460 -0.004 0.000 1.235 713 W HN 0.457 nan 8.180 nan 0.000 0.479 714 D N 5.236 125.497 120.400 -0.232 0.000 2.473 714 D HA 0.218 4.885 4.640 0.044 0.000 0.226 714 D C -0.818 175.286 176.300 -0.327 0.000 1.089 714 D CA 0.272 54.160 54.000 -0.188 0.000 0.883 714 D CB 0.631 41.358 40.800 -0.122 0.000 1.029 714 D HN 0.373 nan 8.370 nan 0.000 0.517 715 Q N 2.938 122.601 119.800 -0.228 0.000 2.284 715 Q HA 0.355 4.721 4.340 0.044 0.000 0.269 715 Q C -2.554 173.424 176.000 -0.036 0.000 1.026 715 Q CA -1.976 53.718 55.803 -0.181 0.000 0.831 715 Q CB 2.831 31.436 28.738 -0.221 0.000 1.322 715 Q HN 0.239 nan 8.270 nan 0.000 0.419 716 P HA -0.030 nan 4.420 nan 0.000 0.269 716 P C -0.636 176.656 177.300 -0.014 0.000 1.215 716 P CA -0.276 62.812 63.100 -0.020 0.000 0.780 716 P CB 0.560 32.246 31.700 -0.023 0.000 0.898 717 N N 1.958 120.630 118.700 -0.047 0.000 2.513 717 N HA 0.028 4.794 4.740 0.044 0.000 0.268 717 N C 1.259 176.732 175.510 -0.061 0.000 1.180 717 N CA 0.181 53.177 53.050 -0.090 0.000 0.948 717 N CB 0.351 38.695 38.487 -0.239 0.000 1.083 717 N HN 0.236 nan 8.380 nan 0.000 0.455 718 R N 0.947 121.433 120.500 -0.024 0.000 2.103 718 R HA -0.092 4.274 4.340 0.044 0.000 0.242 718 R C 0.039 176.324 176.300 -0.024 0.000 1.142 718 R CA 1.122 57.219 56.100 -0.005 0.000 0.960 718 R CB 0.058 30.377 30.300 0.033 0.000 0.858 718 R HN 0.629 nan 8.270 nan 0.000 0.439 719 E N 0.898 121.065 120.200 -0.055 0.000 2.374 719 E HA 0.021 4.397 4.350 0.044 0.000 0.260 719 E C -0.580 175.973 176.600 -0.077 0.000 1.101 719 E CA 0.155 56.527 56.400 -0.047 0.000 0.907 719 E CB 0.709 30.387 29.700 -0.036 0.000 1.014 719 E HN 0.138 nan 8.360 nan 0.000 0.427 720 E N 1.171 121.349 120.200 -0.037 0.000 1.892 720 E HA 0.096 4.472 4.350 0.044 0.000 0.271 720 E C -0.346 176.223 176.600 -0.052 0.000 1.146 720 E CA -0.183 56.190 56.400 -0.045 0.000 1.096 720 E CB 0.044 29.733 29.700 -0.018 0.000 1.155 720 E HN 0.350 nan 8.360 nan 0.000 0.458 721 T N -0.905 113.585 114.554 -0.107 0.000 2.943 721 T HA 0.348 4.724 4.350 0.044 0.000 0.284 721 T C 0.432 175.040 174.700 -0.152 0.000 1.015 721 T CA -1.003 61.025 62.100 -0.119 0.000 1.042 721 T CB 1.290 70.054 68.868 -0.173 0.000 1.055 721 T HN 0.224 nan 8.240 nan 0.000 0.500 722 I N 2.660 123.120 120.570 -0.183 0.000 3.015 722 I HA 0.032 4.228 4.170 0.044 0.000 0.309 722 I C 0.173 176.240 176.117 -0.083 0.000 1.229 722 I CA 0.207 61.375 61.300 -0.219 0.000 1.430 722 I CB -1.015 36.903 38.000 -0.137 0.000 1.347 722 I HN 0.786 nan 8.210 nan 0.000 0.544 723 F N 6.261 126.168 119.950 -0.072 0.000 3.099 723 F HA -0.356 4.197 4.527 0.043 0.000 0.276 723 F C 1.270 177.031 175.800 -0.064 0.000 0.914 723 F CA 1.023 58.988 58.000 -0.059 0.000 0.948 723 F CB -1.446 37.522 39.000 -0.053 0.000 0.983 723 F HN 0.693 nan 8.300 nan 0.000 0.638 724 R N -1.872 118.623 120.500 -0.007 0.000 3.770 724 R HA -0.194 4.172 4.340 0.044 0.000 0.305 724 R C 0.645 176.926 176.300 -0.032 0.000 1.184 724 R CA 0.922 56.999 56.100 -0.038 0.000 0.823 724 R CB -2.353 27.942 30.300 -0.009 0.000 1.285 724 R HN 0.583 nan 8.270 nan 0.000 0.499 725 S N -0.204 115.488 115.700 -0.014 0.000 2.671 725 S HA 0.682 5.178 4.470 0.044 0.000 0.272 725 S C 0.139 174.705 174.600 -0.057 0.000 1.174 725 S CA -0.634 57.565 58.200 -0.002 0.000 1.004 725 S CB 2.414 65.634 63.200 0.033 0.000 1.077 725 S HN 0.237 nan 8.310 nan 0.000 0.553 726 K N -0.434 119.978 120.400 0.019 0.000 2.469 726 K HA 0.657 5.003 4.320 0.044 0.000 0.254 726 K C -0.741 175.960 176.600 0.168 0.000 0.939 726 K CA -0.697 55.650 56.287 0.100 0.000 0.812 726 K CB 2.123 34.729 32.500 0.177 0.000 1.301 726 K HN 0.872 nan 8.250 nan 0.000 0.433 727 A N 1.222 124.192 122.820 0.250 0.000 2.531 727 A HA 0.129 4.475 4.320 0.044 0.000 0.236 727 A C 0.358 177.999 177.584 0.096 0.000 1.062 727 A CA 0.103 52.212 52.037 0.121 0.000 0.760 727 A CB 0.409 19.450 19.000 0.068 0.000 0.995 727 A HN 0.521 nan 8.150 nan 0.000 0.501 728 V N 2.706 122.638 119.914 0.031 0.000 3.172 728 V HA 0.323 4.469 4.120 0.044 0.000 0.343 728 V C 1.239 177.297 176.094 -0.060 0.000 1.429 728 V CA 0.813 63.128 62.300 0.026 0.000 1.149 728 V CB -0.025 31.826 31.823 0.047 0.000 1.106 728 V HN 1.126 nan 8.190 nan 0.000 0.526 729 G N 0.094 108.838 108.800 -0.093 0.000 2.417 729 G HA2 -0.071 3.915 3.960 0.044 0.000 0.212 729 G HA3 -0.071 3.915 3.960 0.044 0.000 0.212 729 G C 1.096 175.911 174.900 -0.142 0.000 1.187 729 G CA 1.083 46.124 45.100 -0.098 0.000 0.804 729 G HN 0.557 nan 8.290 nan 0.000 0.534 730 E N 0.473 120.495 120.200 -0.297 0.000 2.099 730 E HA 0.023 4.399 4.350 0.044 0.000 0.191 730 E C -0.235 176.018 176.600 -0.579 0.000 0.962 730 E CA 0.192 56.315 56.400 -0.461 0.000 0.826 730 E CB -0.052 29.246 29.700 -0.670 0.000 0.788 730 E HN 0.231 nan 8.360 nan 0.000 0.461 731 P HA -0.205 nan 4.420 nan 0.000 0.217 731 P C -1.548 175.679 177.300 -0.123 0.000 1.162 731 P CA 2.385 65.161 63.100 -0.541 0.000 0.901 731 P CB -1.046 30.593 31.700 -0.101 0.000 0.793 732 P HA -0.208 nan 4.420 nan 0.000 0.219 732 P C 1.582 178.904 177.300 0.037 0.000 1.146 732 P CA 1.226 64.229 63.100 -0.162 0.000 0.808 732 P CB -0.569 30.890 31.700 -0.403 0.000 0.779 733 F N 0.997 120.873 119.950 -0.123 0.000 2.161 733 F HA -0.184 4.369 4.527 0.043 0.000 0.300 733 F C 1.917 177.693 175.800 -0.040 0.000 1.089 733 F CA 1.056 59.010 58.000 -0.077 0.000 1.282 733 F CB -0.677 38.254 39.000 -0.115 0.000 1.010 733 F HN -0.267 nan 8.300 nan 0.000 0.485 734 L N 0.401 121.793 121.223 0.282 0.000 2.450 734 L HA -0.191 4.175 4.340 0.044 0.000 0.224 734 L C 1.865 178.810 176.870 0.126 0.000 1.149 734 L CA 1.141 56.121 54.840 0.233 0.000 0.816 734 L CB -0.848 41.326 42.059 0.193 0.000 0.932 734 L HN 0.228 nan 8.230 nan 0.000 0.449 735 L N -1.224 120.062 121.223 0.105 0.000 2.549 735 L HA -0.067 4.299 4.340 0.044 0.000 0.229 735 L C 2.448 179.345 176.870 0.045 0.000 1.158 735 L CA 0.733 55.659 54.840 0.142 0.000 0.842 735 L CB -1.061 41.149 42.059 0.251 0.000 0.952 735 L HN 0.349 nan 8.230 nan 0.000 0.452 736 G N 0.469 109.162 108.800 -0.178 0.000 2.432 736 G HA2 -0.208 3.778 3.960 0.044 0.000 0.219 736 G HA3 -0.208 3.778 3.960 0.044 0.000 0.219 736 G C 1.590 176.400 174.900 -0.150 0.000 1.135 736 G CA 0.396 45.255 45.100 -0.401 0.000 0.767 736 G HN 0.320 nan 8.290 nan 0.000 0.550 737 I N 2.039 122.599 120.570 -0.017 0.000 2.300 737 I HA -0.300 3.896 4.170 0.044 0.000 0.252 737 I C 3.149 179.321 176.117 0.093 0.000 1.119 737 I CA 1.602 62.930 61.300 0.047 0.000 1.384 737 I CB -0.141 37.916 38.000 0.094 0.000 1.062 737 I HN 0.355 nan 8.210 nan 0.000 0.426 738 S N 1.063 116.821 115.700 0.097 0.000 2.400 738 S HA -0.202 4.294 4.470 0.044 0.000 0.232 738 S C 2.234 176.894 174.600 0.101 0.000 1.025 738 S CA 0.915 59.185 58.200 0.117 0.000 0.993 738 S CB -0.636 62.644 63.200 0.132 0.000 0.808 738 S HN 0.447 nan 8.310 nan 0.000 0.478 739 A N 1.386 124.242 122.820 0.059 0.000 1.883 739 A HA -0.003 4.343 4.320 0.044 0.000 0.217 739 A C 1.981 179.602 177.584 0.061 0.000 1.186 739 A CA 1.628 53.684 52.037 0.032 0.000 0.624 739 A CB -1.161 17.803 19.000 -0.060 0.000 0.822 739 A HN 0.600 nan 8.150 nan 0.000 0.444 740 F N -0.122 119.772 119.950 -0.095 0.000 2.113 740 F HA -0.110 4.443 4.527 0.044 0.000 0.297 740 F C 1.803 177.582 175.800 -0.034 0.000 1.103 740 F CA 1.481 59.426 58.000 -0.092 0.000 1.248 740 F CB -0.231 38.689 39.000 -0.134 0.000 0.999 740 F HN 0.145 nan 8.300 nan 0.000 0.475 741 L N 0.255 121.564 121.223 0.143 0.000 2.191 741 L HA -0.098 4.268 4.340 0.044 0.000 0.212 741 L C 2.499 179.394 176.870 0.042 0.000 1.103 741 L CA 1.729 56.602 54.840 0.054 0.000 0.769 741 L CB -1.578 40.544 42.059 0.105 0.000 0.908 741 L HN 0.276 nan 8.230 nan 0.000 0.438 742 A N -1.669 121.170 122.820 0.031 0.000 1.903 742 A HA -0.069 4.277 4.320 0.044 0.000 0.213 742 A C 2.058 179.612 177.584 -0.050 0.000 1.185 742 A CA 0.688 52.738 52.037 0.021 0.000 0.628 742 A CB -0.582 18.440 19.000 0.035 0.000 0.830 742 A HN 0.243 nan 8.150 nan 0.000 0.446 743 L N 0.224 121.387 121.223 -0.101 0.000 2.089 743 L HA -0.250 4.117 4.340 0.044 0.000 0.213 743 L C 2.370 179.113 176.870 -0.213 0.000 1.079 743 L CA 2.562 57.305 54.840 -0.161 0.000 0.758 743 L CB -1.495 40.437 42.059 -0.212 0.000 0.891 743 L HN 0.805 nan 8.230 nan 0.000 0.433 744 H N -1.742 117.107 119.070 -0.369 0.000 2.423 744 H HA -0.145 4.437 4.556 0.043 0.000 0.297 744 H C 1.998 177.197 175.328 -0.215 0.000 1.075 744 H CA 1.679 57.501 56.048 -0.377 0.000 1.342 744 H CB 0.028 29.508 29.762 -0.470 0.000 1.395 744 H HN 0.381 nan 8.280 nan 0.000 0.530 745 D N 0.180 120.484 120.400 -0.160 0.000 2.117 745 D HA -0.107 4.559 4.640 0.044 0.000 0.198 745 D C 2.295 178.484 176.300 -0.186 0.000 0.982 745 D CA 1.473 55.382 54.000 -0.150 0.000 0.828 745 D CB -0.417 40.391 40.800 0.014 0.000 0.967 745 D HN 0.517 nan 8.370 nan 0.000 0.464 746 A N -0.133 122.600 122.820 -0.145 0.000 1.858 746 A HA -0.182 4.164 4.320 0.044 0.000 0.216 746 A C 2.661 180.152 177.584 -0.155 0.000 1.190 746 A CA 1.640 53.609 52.037 -0.113 0.000 0.617 746 A CB -1.188 17.762 19.000 -0.083 0.000 0.827 746 A HN 0.501 nan 8.150 nan 0.000 0.443 747 C N -0.742 118.426 119.300 -0.220 0.000 2.363 747 C HA -0.156 4.330 4.460 0.044 0.000 0.274 747 C C 3.240 178.087 174.990 -0.238 0.000 1.183 747 C CA 1.118 59.996 59.018 -0.233 0.000 1.771 747 C CB -1.592 25.962 27.740 -0.310 0.000 2.059 747 C HN 0.712 nan 8.230 nan 0.000 0.455 748 A N 0.128 122.735 122.820 -0.355 0.000 2.076 748 A HA 0.111 4.458 4.320 0.044 0.000 0.220 748 A C 2.172 179.677 177.584 -0.131 0.000 1.160 748 A CA 1.847 53.726 52.037 -0.262 0.000 0.653 748 A CB -0.592 18.225 19.000 -0.306 0.000 0.801 748 A HN 0.701 nan 8.150 nan 0.000 0.455 749 A N -1.919 120.832 122.820 -0.116 0.000 2.235 749 A HA 0.118 4.464 4.320 0.044 0.000 0.208 749 A C 1.606 179.164 177.584 -0.042 0.000 1.172 749 A CA 1.068 53.070 52.037 -0.057 0.000 0.786 749 A CB -0.794 18.187 19.000 -0.032 0.000 0.804 749 A HN 0.582 nan 8.150 nan 0.000 0.479 750 C N -1.235 118.032 119.300 -0.055 0.000 2.906 750 C HA 0.559 5.045 4.460 0.044 0.000 0.274 750 C C 1.348 176.325 174.990 -0.022 0.000 1.257 750 C CA 0.019 59.016 59.018 -0.036 0.000 1.695 750 C CB -0.964 26.752 27.740 -0.040 0.000 1.958 750 C HN 0.721 nan 8.230 nan 0.000 0.619 751 G N 0.518 109.305 108.800 -0.022 0.000 2.495 751 G HA2 0.472 4.458 3.960 0.044 0.000 0.294 751 G HA3 0.472 4.458 3.960 0.044 0.000 0.294 751 G C -2.908 171.970 174.900 -0.037 0.000 1.397 751 G CA -0.277 44.820 45.100 -0.004 0.000 0.790 751 G HN -0.141 nan 8.290 nan 0.000 0.486 752 P HA 0.232 nan 4.420 nan 0.000 0.267 752 P C -0.033 177.138 177.300 -0.215 0.000 1.289 752 P CA 0.096 63.089 63.100 -0.177 0.000 0.866 752 P CB 0.179 31.712 31.700 -0.278 0.000 1.309 753 H N -0.952 118.160 119.070 0.069 0.000 2.483 753 H HA 0.108 4.690 4.556 0.043 0.000 0.338 753 H C -0.221 175.218 175.328 0.186 0.000 1.152 753 H CA -0.734 55.388 56.048 0.123 0.000 1.264 753 H CB 0.953 30.768 29.762 0.089 0.000 1.510 753 H HN 0.178 nan 8.280 nan 0.000 0.530 754 W N 4.662 126.052 121.300 0.151 0.000 2.381 754 W HA 0.042 4.728 4.660 0.043 0.000 0.321 754 W C -2.144 174.406 176.519 0.052 0.000 1.407 754 W CA -1.679 55.717 57.345 0.085 0.000 1.274 754 W CB 0.634 30.148 29.460 0.091 0.000 1.310 754 W HN 0.496 nan 8.180 nan 0.000 0.551 755 P HA -0.165 nan 4.420 nan 0.000 0.220 755 P C -0.018 176.867 177.300 -0.691 0.000 1.152 755 P CA 1.482 64.296 63.100 -0.477 0.000 0.812 755 P CB 0.096 31.502 31.700 -0.490 0.000 0.792 756 D N -2.009 117.485 120.400 -1.512 0.000 2.697 756 D HA -0.166 4.500 4.640 0.044 0.000 0.238 756 D C -0.568 175.491 176.300 -0.401 0.000 1.152 756 D CA 0.149 53.579 54.000 -0.949 0.000 0.666 756 D CB -1.355 39.248 40.800 -0.328 0.000 1.037 756 D HN 0.016 nan 8.370 nan 0.000 0.423 757 L N 1.109 122.073 121.223 -0.431 0.000 2.462 757 L HA 0.197 4.564 4.340 0.044 0.000 0.272 757 L C 0.494 177.396 176.870 0.052 0.000 1.166 757 L CA 0.457 55.164 54.840 -0.220 0.000 0.880 757 L CB 0.670 42.508 42.059 -0.368 0.000 1.142 757 L HN 0.058 nan 8.230 nan 0.000 0.473 758 Q N 3.963 123.851 119.800 0.147 0.000 2.199 758 Q HA 0.712 5.078 4.340 0.044 0.000 0.232 758 Q C -0.615 175.609 176.000 0.372 0.000 0.969 758 Q CA -0.420 55.568 55.803 0.309 0.000 0.925 758 Q CB 1.383 30.227 28.738 0.177 0.000 1.198 758 Q HN 0.809 nan 8.270 nan 0.000 0.494 759 A N 1.660 124.603 122.820 0.205 0.000 2.355 759 A HA 0.691 5.037 4.320 0.044 0.000 0.324 759 A C -2.368 175.165 177.584 -0.084 0.000 1.117 759 A CA -1.628 50.405 52.037 -0.005 0.000 0.785 759 A CB 0.934 19.661 19.000 -0.455 0.000 1.254 759 A HN 0.447 nan 8.150 nan 0.000 0.453 760 P HA 0.235 nan 4.420 nan 0.000 0.276 760 P C -0.043 177.276 177.300 0.031 0.000 1.230 760 P CA 0.103 63.146 63.100 -0.095 0.000 0.776 760 P CB 1.161 32.802 31.700 -0.097 0.000 0.888 761 A N 3.229 126.115 122.820 0.111 0.000 3.052 761 A HA 0.211 4.557 4.320 0.044 0.000 0.266 761 A C 1.130 178.708 177.584 -0.010 0.000 1.855 761 A CA -0.078 51.997 52.037 0.063 0.000 1.473 761 A CB -1.588 17.442 19.000 0.050 0.000 1.038 761 A HN 0.632 nan 8.150 nan 0.000 0.619 762 T N -1.563 112.978 114.554 -0.022 0.000 2.698 762 T HA 0.294 4.670 4.350 0.044 0.000 0.295 762 T C -1.571 173.104 174.700 -0.041 0.000 1.007 762 T CA -0.988 61.087 62.100 -0.042 0.000 0.980 762 T CB 0.170 69.014 68.868 -0.040 0.000 1.036 762 T HN 0.188 nan 8.240 nan 0.000 0.526 763 P HA -0.038 nan 4.420 nan 0.000 0.215 763 P C 1.556 178.833 177.300 -0.037 0.000 1.157 763 P CA 1.029 64.103 63.100 -0.043 0.000 0.863 763 P CB 0.002 31.678 31.700 -0.040 0.000 0.787 764 E N -0.026 120.155 120.200 -0.031 0.000 2.065 764 E HA -0.285 4.091 4.350 0.044 0.000 0.201 764 E C 1.952 178.536 176.600 -0.026 0.000 1.016 764 E CA 1.728 58.113 56.400 -0.025 0.000 0.818 764 E CB -0.695 28.995 29.700 -0.017 0.000 0.749 764 E HN 0.078 nan 8.360 nan 0.000 0.453 765 A N 0.218 123.024 122.820 -0.024 0.000 1.883 765 A HA -0.171 4.175 4.320 0.044 0.000 0.217 765 A C 2.440 179.996 177.584 -0.048 0.000 1.186 765 A CA 1.724 53.748 52.037 -0.021 0.000 0.624 765 A CB -0.744 18.256 19.000 -0.001 0.000 0.822 765 A HN 0.243 nan 8.150 nan 0.000 0.444 766 V N -0.375 119.503 119.914 -0.061 0.000 2.343 766 V HA -0.234 3.912 4.120 0.044 0.000 0.247 766 V C 2.492 178.538 176.094 -0.080 0.000 1.051 766 V CA 1.946 64.192 62.300 -0.089 0.000 1.036 766 V CB -0.842 30.929 31.823 -0.087 0.000 0.654 766 V HN 0.580 nan 8.190 nan 0.000 0.451 767 L N 0.935 122.123 121.223 -0.058 0.000 2.017 767 L HA -0.080 4.286 4.340 0.044 0.000 0.208 767 L C 2.505 179.344 176.870 -0.052 0.000 1.073 767 L CA 2.297 57.107 54.840 -0.050 0.000 0.745 767 L CB -0.912 41.125 42.059 -0.037 0.000 0.894 767 L HN 0.221 nan 8.230 nan 0.000 0.432 768 A N -0.488 122.304 122.820 -0.047 0.000 1.948 768 A HA -0.208 4.139 4.320 0.044 0.000 0.220 768 A C 2.424 179.968 177.584 -0.067 0.000 1.177 768 A CA 2.019 54.028 52.037 -0.046 0.000 0.636 768 A CB -1.159 17.821 19.000 -0.034 0.000 0.815 768 A HN 0.601 nan 8.150 nan 0.000 0.449 769 A N -0.802 121.960 122.820 -0.096 0.000 1.929 769 A HA 0.102 4.448 4.320 0.044 0.000 0.216 769 A C 2.208 179.715 177.584 -0.128 0.000 1.176 769 A CA 1.464 53.416 52.037 -0.143 0.000 0.628 769 A CB -0.826 18.059 19.000 -0.191 0.000 0.816 769 A HN 0.348 nan 8.150 nan 0.000 0.444 770 V N 0.833 120.685 119.914 -0.103 0.000 2.231 770 V HA -0.337 3.809 4.120 0.044 0.000 0.248 770 V C 2.715 178.775 176.094 -0.056 0.000 1.054 770 V CA 2.406 64.657 62.300 -0.082 0.000 1.015 770 V CB -0.848 30.936 31.823 -0.065 0.000 0.638 770 V HN 0.563 nan 8.190 nan 0.000 0.444 771 R N -0.219 120.253 120.500 -0.047 0.000 2.091 771 R HA -0.190 4.176 4.340 0.044 0.000 0.238 771 R C 2.419 178.701 176.300 -0.030 0.000 1.136 771 R CA 1.632 57.713 56.100 -0.033 0.000 0.959 771 R CB -0.572 29.710 30.300 -0.031 0.000 0.856 771 R HN 0.480 nan 8.270 nan 0.000 0.437 772 R N 0.643 121.117 120.500 -0.043 0.000 2.083 772 R HA -0.110 4.256 4.340 0.044 0.000 0.237 772 R C 2.397 178.708 176.300 0.018 0.000 1.137 772 R CA 1.619 57.699 56.100 -0.033 0.000 0.951 772 R CB -0.438 29.834 30.300 -0.048 0.000 0.851 772 R HN 0.259 nan 8.270 nan 0.000 0.434 773 A N 0.629 123.454 122.820 0.007 0.000 2.019 773 A HA -0.171 4.175 4.320 0.044 0.000 0.219 773 A C 1.689 179.348 177.584 0.126 0.000 1.164 773 A CA 1.321 53.398 52.037 0.066 0.000 0.644 773 A CB -0.210 18.773 19.000 -0.028 0.000 0.805 773 A HN 0.328 nan 8.150 nan 0.000 0.449 774 E N -1.822 118.418 120.200 0.066 0.000 2.478 774 E HA 0.230 4.607 4.350 0.044 0.000 0.194 774 E C 1.272 177.930 176.600 0.098 0.000 1.045 774 E CA 0.301 56.741 56.400 0.067 0.000 0.868 774 E CB -0.079 29.631 29.700 0.016 0.000 0.885 774 E HN 0.712 nan 8.360 nan 0.000 0.505 775 G N 1.880 110.725 108.800 0.075 0.000 2.184 775 G HA2 -0.365 3.621 3.960 0.044 0.000 0.264 775 G HA3 -0.365 3.621 3.960 0.044 0.000 0.264 775 G C 0.731 175.602 174.900 -0.047 0.000 0.975 775 G CA 0.278 45.350 45.100 -0.047 0.000 0.642 775 G HN 0.237 nan 8.290 nan 0.000 0.536 776 R N 0.719 121.207 120.500 -0.021 0.000 3.385 776 R HA 0.500 4.867 4.340 0.044 0.000 0.236 776 R C 1.105 177.387 176.300 -0.031 0.000 1.663 776 R CA 0.864 56.951 56.100 -0.022 0.000 1.444 776 R CB -0.731 29.561 30.300 -0.014 0.000 1.218 776 R HN 1.729 nan 8.270 nan 0.000 0.575 777 A N 0.000 122.792 122.820 -0.047 0.000 2.254 777 A HA 0.000 4.346 4.320 0.044 0.000 0.244 777 A CA 0.000 52.012 52.037 -0.042 0.000 0.836 777 A CB 0.000 18.984 19.000 -0.026 0.000 0.831 777 A HN 0.000 nan 8.150 nan 0.000 0.486