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 1we3_1_E DATA FIRST_RESID 3 DATA SEQUENCE AKILVFDEAA RRALERGVNA VANAVKVTLG PRGRNVVLEK KFGSPTITKD DATA SEQUENCE GVTVAKEVEL EDHLENIGAQ LLKEVASKTN DVAGDGTTTA TVLAQAIVRE DATA SEQUENCE GLKNVAAGAN PLALKRGIEK AVEAAVEKIK ALAIPVEDRK AIEEVATISA DATA SEQUENCE NDPEVGKLIA DAMEKVGKEG IITVEESKSL ETELKFVEGY QFDKGYISPY DATA SEQUENCE FVTNPETMEA VLEDAFILIV EKKVSNVREL LPILEQVAQT GKPLLIIAED DATA SEQUENCE VEGEALATLV VNKLRGTLSV AAVKAPGFGD RRKEMLKDIA AVTGGTVISE DATA SEQUENCE ELGFKLENAT LSMLGRAERV RITKDETTIV GGKGKKEDIE ARINGIKKEL DATA SEQUENCE ETTDSEYARE KLQERLAKLA GGVAVIRVGA ATETELKEKK HRFEDALNAT DATA SEQUENCE RAAVEEGIVP GGGVTLLRAI SAVEELIKKL EGDEATGAKI VRRALEEPAR DATA SEQUENCE QIAENAGYEG SVIVQQILAE TKNPRYGFNA ATGEFVDMVE AGIVDPAKVT DATA SEQUENCE RSALQNAASI GALILTTEAV VAEKPE 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.546 177.584 -0.063 0.000 1.274 3 A CA 0.000 52.012 52.037 -0.041 0.000 0.836 3 A CB 0.000 18.978 19.000 -0.037 0.000 0.831 4 K N 0.226 120.596 120.400 -0.050 0.000 2.132 4 K HA 0.700 5.020 4.320 0.001 0.000 0.241 4 K C -0.785 175.787 176.600 -0.046 0.000 1.000 4 K CA -0.291 55.960 56.287 -0.060 0.000 0.911 4 K CB 1.912 34.385 32.500 -0.045 0.000 1.093 4 K HN 0.602 nan 8.250 nan 0.000 0.460 5 I N 0.899 121.438 120.570 -0.051 0.000 2.607 5 I HA 0.290 4.461 4.170 0.001 0.000 0.290 5 I C -1.616 174.484 176.117 -0.028 0.000 1.129 5 I CA -0.862 60.423 61.300 -0.026 0.000 1.042 5 I CB 1.171 39.152 38.000 -0.031 0.000 1.242 5 I HN 0.376 nan 8.210 nan 0.000 0.421 6 L N 8.083 129.314 121.223 0.013 0.000 2.277 6 L HA 0.518 4.859 4.340 0.001 0.000 0.284 6 L C -0.625 176.251 176.870 0.009 0.000 1.028 6 L CA -0.812 54.009 54.840 -0.031 0.000 0.835 6 L CB 1.431 43.530 42.059 0.065 0.000 1.215 6 L HN 0.340 nan 8.230 nan 0.000 0.425 7 V N 3.472 123.311 119.914 -0.125 0.000 2.472 7 V HA 0.492 4.613 4.120 0.001 0.000 0.290 7 V C -0.145 175.841 176.094 -0.180 0.000 1.037 7 V CA -0.290 61.997 62.300 -0.022 0.000 0.908 7 V CB 1.574 33.389 31.823 -0.014 0.000 0.985 7 V HN 0.373 nan 8.190 nan 0.000 0.454 8 F N 0.456 120.407 119.950 0.003 0.000 2.671 8 F HA 0.524 5.051 4.527 0.000 0.000 0.373 8 F C 0.966 176.768 175.800 0.004 0.000 1.122 8 F CA -0.688 57.314 58.000 0.003 0.000 1.082 8 F CB 0.318 39.319 39.000 0.002 0.000 1.399 8 F HN 0.540 nan 8.300 nan 0.000 0.509 9 D N 0.380 120.924 120.400 0.239 0.000 3.352 9 D HA -0.257 4.383 4.640 0.001 0.000 0.196 9 D C 1.498 177.844 176.300 0.076 0.000 1.475 9 D CA 1.553 55.629 54.000 0.126 0.000 0.960 9 D CB 0.007 40.873 40.800 0.109 0.000 0.605 9 D HN 0.599 nan 8.370 nan 0.000 0.653 10 E N -0.209 120.026 120.200 0.058 0.000 2.147 10 E HA -0.227 4.123 4.350 0.001 0.000 0.199 10 E C 1.940 178.563 176.600 0.039 0.000 1.005 10 E CA 1.541 57.965 56.400 0.040 0.000 0.810 10 E CB -0.496 29.224 29.700 0.032 0.000 0.736 10 E HN 0.471 nan 8.360 nan 0.000 0.460 11 A N 1.538 124.389 122.820 0.052 0.000 1.892 11 A HA -0.183 4.138 4.320 0.001 0.000 0.218 11 A C 2.460 180.065 177.584 0.036 0.000 1.188 11 A CA 2.506 54.572 52.037 0.047 0.000 0.631 11 A CB -0.690 18.349 19.000 0.066 0.000 0.822 11 A HN 0.312 nan 8.150 nan 0.000 0.447 12 A N -0.242 122.599 122.820 0.035 0.000 1.841 12 A HA -0.154 4.167 4.320 0.001 0.000 0.214 12 A C 2.230 179.817 177.584 0.006 0.000 1.195 12 A CA 1.533 53.575 52.037 0.008 0.000 0.611 12 A CB -0.557 18.433 19.000 -0.018 0.000 0.835 12 A HN 0.558 nan 8.150 nan 0.000 0.443 13 R N -1.021 119.486 120.500 0.012 0.000 2.103 13 R HA -0.138 4.202 4.340 0.001 0.000 0.242 13 R C 2.353 178.659 176.300 0.010 0.000 1.142 13 R CA 1.428 57.534 56.100 0.009 0.000 0.960 13 R CB -0.383 29.925 30.300 0.013 0.000 0.858 13 R HN 0.290 nan 8.270 nan 0.000 0.439 14 R N 0.710 121.218 120.500 0.014 0.000 2.083 14 R HA -0.059 4.282 4.340 0.001 0.000 0.237 14 R C 2.275 178.581 176.300 0.011 0.000 1.137 14 R CA 1.708 57.816 56.100 0.013 0.000 0.951 14 R CB -1.145 29.164 30.300 0.015 0.000 0.851 14 R HN 0.297 nan 8.270 nan 0.000 0.434 15 A N 1.279 124.107 122.820 0.012 0.000 1.883 15 A HA -0.142 4.178 4.320 0.001 0.000 0.217 15 A C 2.460 180.049 177.584 0.008 0.000 1.186 15 A CA 1.388 53.431 52.037 0.011 0.000 0.624 15 A CB -0.726 18.283 19.000 0.015 0.000 0.822 15 A HN 0.208 nan 8.150 nan 0.000 0.444 16 L N -0.967 120.259 121.223 0.005 0.000 1.970 16 L HA -0.269 4.072 4.340 0.001 0.000 0.212 16 L C 2.736 179.608 176.870 0.003 0.000 1.071 16 L CA 2.143 56.985 54.840 0.003 0.000 0.751 16 L CB -0.702 41.356 42.059 -0.001 0.000 0.889 16 L HN 0.640 nan 8.230 nan 0.000 0.432 17 E N 0.226 120.428 120.200 0.004 0.000 2.147 17 E HA -0.289 4.062 4.350 0.001 0.000 0.199 17 E C 2.315 178.917 176.600 0.003 0.000 1.005 17 E CA 1.430 57.832 56.400 0.004 0.000 0.810 17 E CB 0.037 29.740 29.700 0.005 0.000 0.736 17 E HN 0.298 nan 8.360 nan 0.000 0.460 18 R N -0.625 119.877 120.500 0.003 0.000 2.083 18 R HA -0.117 4.223 4.340 0.001 0.000 0.237 18 R C 2.495 178.794 176.300 -0.001 0.000 1.137 18 R CA 1.318 57.419 56.100 0.002 0.000 0.951 18 R CB -0.511 29.791 30.300 0.003 0.000 0.851 18 R HN 0.314 nan 8.270 nan 0.000 0.434 19 G N 0.104 108.903 108.800 -0.001 0.000 2.421 19 G HA2 -0.218 3.743 3.960 0.001 0.000 0.216 19 G HA3 -0.218 3.743 3.960 0.001 0.000 0.216 19 G C 1.451 176.349 174.900 -0.003 0.000 1.171 19 G CA 0.831 45.929 45.100 -0.004 0.000 0.775 19 G HN 0.141 nan 8.290 nan 0.000 0.543 20 V N 1.870 121.783 119.914 -0.001 0.000 2.250 20 V HA -0.287 3.833 4.120 0.001 0.000 0.250 20 V C 2.689 178.783 176.094 -0.001 0.000 1.060 20 V CA 2.122 64.421 62.300 -0.001 0.000 1.030 20 V CB -0.536 31.288 31.823 0.001 0.000 0.643 20 V HN 0.377 nan 8.190 nan 0.000 0.445 21 N N 0.154 118.854 118.700 -0.000 0.000 2.166 21 N HA -0.133 4.607 4.740 0.001 0.000 0.186 21 N C 1.922 177.431 175.510 -0.002 0.000 1.019 21 N CA 1.586 54.636 53.050 -0.000 0.000 0.856 21 N CB -0.413 38.074 38.487 0.001 0.000 0.993 21 N HN 0.526 nan 8.380 nan 0.000 0.426 22 A N 1.155 123.973 122.820 -0.004 0.000 1.873 22 A HA -0.138 4.182 4.320 0.001 0.000 0.218 22 A C 2.589 180.169 177.584 -0.006 0.000 1.193 22 A CA 1.721 53.754 52.037 -0.006 0.000 0.629 22 A CB -0.933 18.062 19.000 -0.009 0.000 0.826 22 A HN 0.104 nan 8.150 nan 0.000 0.447 23 V N -0.291 119.619 119.914 -0.006 0.000 2.244 23 V HA -0.211 3.910 4.120 0.001 0.000 0.244 23 V C 3.095 179.187 176.094 -0.004 0.000 1.042 23 V CA 1.993 64.289 62.300 -0.006 0.000 1.006 23 V CB -1.409 30.410 31.823 -0.005 0.000 0.641 23 V HN 0.645 nan 8.190 nan 0.000 0.446 24 A N 0.667 123.485 122.820 -0.002 0.000 1.958 24 A HA -0.285 4.035 4.320 0.001 0.000 0.221 24 A C 1.961 179.545 177.584 -0.000 0.000 1.178 24 A CA 2.363 54.400 52.037 -0.000 0.000 0.642 24 A CB -0.731 18.270 19.000 0.001 0.000 0.816 24 A HN 0.645 nan 8.150 nan 0.000 0.453 25 N N -0.152 118.547 118.700 -0.001 0.000 2.409 25 N HA 0.051 4.791 4.740 0.001 0.000 0.179 25 N C 1.679 177.188 175.510 -0.002 0.000 1.032 25 N CA 1.167 54.217 53.050 -0.001 0.000 0.898 25 N CB -0.379 38.108 38.487 -0.001 0.000 0.971 25 N HN 0.513 nan 8.380 nan 0.000 0.441 26 A N 0.468 123.286 122.820 -0.004 0.000 1.930 26 A HA 0.036 4.356 4.320 0.001 0.000 0.215 26 A C 2.388 179.969 177.584 -0.005 0.000 1.176 26 A CA 0.698 52.732 52.037 -0.006 0.000 0.632 26 A CB -0.387 18.608 19.000 -0.008 0.000 0.819 26 A HN 0.051 nan 8.150 nan 0.000 0.445 27 V N 1.488 121.399 119.914 -0.004 0.000 2.239 27 V HA -0.281 3.840 4.120 0.001 0.000 0.242 27 V C 2.479 178.572 176.094 -0.001 0.000 1.038 27 V CA 2.285 64.584 62.300 -0.003 0.000 1.002 27 V CB -0.883 30.939 31.823 -0.002 0.000 0.641 27 V HN 0.835 nan 8.190 nan 0.000 0.449 28 K N 0.692 121.093 120.400 0.001 0.000 2.374 28 K HA -0.196 4.125 4.320 0.001 0.000 0.202 28 K C 1.674 178.277 176.600 0.005 0.000 1.044 28 K CA 1.846 58.136 56.287 0.004 0.000 0.933 28 K CB -0.909 31.595 32.500 0.005 0.000 0.745 28 K HN 0.341 nan 8.250 nan 0.000 0.474 29 V N 2.148 122.064 119.914 0.003 0.000 2.867 29 V HA -0.229 3.892 4.120 0.001 0.000 0.260 29 V C 2.565 178.661 176.094 0.004 0.000 1.099 29 V CA 2.110 64.412 62.300 0.004 0.000 1.122 29 V CB -0.842 30.982 31.823 0.001 0.000 0.708 29 V HN 0.789 nan 8.190 nan 0.000 0.490 30 T N -2.684 111.871 114.554 0.002 0.000 3.031 30 T HA 0.110 4.460 4.350 0.001 0.000 0.254 30 T C 0.823 175.524 174.700 0.002 0.000 1.060 30 T CA -0.198 61.902 62.100 0.001 0.000 1.135 30 T CB -0.216 68.651 68.868 -0.001 0.000 0.896 30 T HN 0.191 nan 8.240 nan 0.000 0.472 31 L N 3.019 124.244 121.223 0.003 0.000 2.693 31 L HA 0.351 4.692 4.340 0.001 0.000 0.292 31 L C 0.948 177.818 176.870 -0.000 0.000 1.243 31 L CA 1.822 56.663 54.840 0.002 0.000 0.903 31 L CB -1.010 41.051 42.059 0.004 0.000 1.160 31 L HN 0.912 nan 8.230 nan 0.000 0.496 32 G N 3.829 112.623 108.800 -0.009 0.000 2.796 32 G HA2 -0.173 3.787 3.960 0.001 0.000 0.571 32 G HA3 -0.173 3.787 3.960 0.001 0.000 0.571 32 G C -1.969 172.917 174.900 -0.024 0.000 1.370 32 G CA -0.265 44.824 45.100 -0.019 0.000 0.856 32 G HN 0.641 nan 8.290 nan 0.000 0.538 33 P HA -0.029 nan 4.420 nan 0.000 0.217 33 P C 1.400 178.686 177.300 -0.023 0.000 1.151 33 P CA 1.027 64.102 63.100 -0.043 0.000 0.828 33 P CB 0.100 31.758 31.700 -0.071 0.000 0.788 34 R N 0.051 120.548 120.500 -0.006 0.000 2.310 34 R HA 0.205 4.546 4.340 0.001 0.000 0.202 34 R C 1.424 177.733 176.300 0.015 0.000 0.933 34 R CA 0.024 56.133 56.100 0.015 0.000 1.054 34 R CB -1.096 29.234 30.300 0.050 0.000 0.985 34 R HN 0.163 nan 8.270 nan 0.000 0.489 35 G N 1.335 110.140 108.800 0.007 0.000 2.670 35 G HA2 0.030 3.991 3.960 0.001 0.000 0.233 35 G HA3 0.030 3.991 3.960 0.001 0.000 0.233 35 G C -0.064 174.838 174.900 0.003 0.000 1.251 35 G CA -0.174 44.930 45.100 0.006 0.000 0.849 35 G HN 0.184 nan 8.290 nan 0.000 0.588 36 R N -0.056 120.446 120.500 0.003 0.000 3.006 36 R HA 0.405 4.745 4.340 0.001 0.000 0.235 36 R C -0.277 176.021 176.300 -0.003 0.000 1.362 36 R CA -0.944 55.157 56.100 0.000 0.000 1.067 36 R CB 0.912 31.213 30.300 0.002 0.000 1.396 36 R HN 0.522 nan 8.270 nan 0.000 0.504 37 N N -0.413 118.284 118.700 -0.005 0.000 2.466 37 N HA 0.370 5.111 4.740 0.001 0.000 0.294 37 N C -1.028 174.476 175.510 -0.010 0.000 1.129 37 N CA -0.508 52.536 53.050 -0.009 0.000 0.931 37 N CB 1.774 40.255 38.487 -0.010 0.000 1.193 37 N HN 0.084 nan 8.380 nan 0.000 0.500 38 V N 0.907 120.812 119.914 -0.015 0.000 2.630 38 V HA 0.388 4.509 4.120 0.001 0.000 0.305 38 V C 0.025 176.108 176.094 -0.018 0.000 1.046 38 V CA -0.789 61.501 62.300 -0.016 0.000 0.934 38 V CB 2.017 33.829 31.823 -0.018 0.000 1.003 38 V HN 0.310 nan 8.190 nan 0.000 0.451 39 V N 5.712 125.616 119.914 -0.016 0.000 2.334 39 V HA 0.410 4.531 4.120 0.001 0.000 0.281 39 V C -0.257 175.827 176.094 -0.017 0.000 1.016 39 V CA -0.366 61.925 62.300 -0.016 0.000 0.832 39 V CB 1.254 33.069 31.823 -0.012 0.000 0.999 39 V HN 0.594 nan 8.190 nan 0.000 0.439 40 L N 4.413 125.625 121.223 -0.020 0.000 2.264 40 L HA 0.514 4.855 4.340 0.001 0.000 0.289 40 L C 0.553 177.414 176.870 -0.015 0.000 1.044 40 L CA -0.288 54.541 54.840 -0.019 0.000 0.807 40 L CB 1.250 43.295 42.059 -0.023 0.000 1.192 40 L HN 0.649 nan 8.230 nan 0.000 0.425 41 E N 4.022 124.212 120.200 -0.017 0.000 2.384 41 E HA 0.107 4.457 4.350 0.001 0.000 0.266 41 E C -0.831 175.761 176.600 -0.013 0.000 1.012 41 E CA -0.404 55.985 56.400 -0.018 0.000 0.901 41 E CB 0.749 30.433 29.700 -0.026 0.000 0.967 41 E HN 0.297 nan 8.360 nan 0.000 0.435 42 K N 3.471 123.869 120.400 -0.005 0.000 2.203 42 K HA 0.199 4.519 4.320 0.001 0.000 0.251 42 K C 0.614 177.214 176.600 -0.001 0.000 0.944 42 K CA -0.613 55.684 56.287 0.016 0.000 0.829 42 K CB 1.448 33.974 32.500 0.044 0.000 1.125 42 K HN 0.471 nan 8.250 nan 0.000 0.430 43 K N 0.819 121.228 120.400 0.015 0.000 2.127 43 K HA -0.164 4.157 4.320 0.001 0.000 0.208 43 K C 1.014 177.416 176.600 -0.330 0.000 1.047 43 K CA 1.911 58.127 56.287 -0.117 0.000 0.927 43 K CB -0.075 32.445 32.500 0.032 0.000 0.716 43 K HN 0.352 nan 8.250 nan 0.000 0.450 44 F N -0.889 119.057 119.950 -0.006 0.000 2.463 44 F HA 0.213 4.741 4.527 0.002 0.000 0.271 44 F C 1.804 177.601 175.800 -0.004 0.000 0.888 44 F CA -0.049 57.948 58.000 -0.005 0.000 1.149 44 F CB -0.712 38.286 39.000 -0.004 0.000 1.071 44 F HN -0.030 nan 8.300 nan 0.000 0.802 45 G N 0.283 109.206 108.800 0.206 0.000 2.481 45 G HA2 0.307 4.268 3.960 0.001 0.000 0.251 45 G HA3 0.307 4.268 3.960 0.001 0.000 0.251 45 G C 0.193 175.129 174.900 0.060 0.000 1.492 45 G CA 0.220 45.384 45.100 0.107 0.000 1.060 45 G HN 0.317 nan 8.290 nan 0.000 0.553 46 S N 0.623 116.348 115.700 0.041 0.000 2.608 46 S HA 0.488 4.959 4.470 0.001 0.000 0.261 46 S C -1.708 172.904 174.600 0.020 0.000 1.314 46 S CA -0.644 57.570 58.200 0.023 0.000 0.992 46 S CB 1.480 64.691 63.200 0.018 0.000 0.935 46 S HN 0.559 nan 8.310 nan 0.000 0.564 47 P HA 0.313 nan 4.420 nan 0.000 0.297 47 P C -0.742 176.559 177.300 0.002 0.000 1.303 47 P CA -0.428 62.675 63.100 0.003 0.000 0.753 47 P CB 0.236 31.933 31.700 -0.004 0.000 1.281 48 T N 0.610 115.160 114.554 -0.007 0.000 2.771 48 T HA 0.511 4.862 4.350 0.001 0.000 0.281 48 T C 0.089 174.777 174.700 -0.021 0.000 0.982 48 T CA -0.265 61.826 62.100 -0.016 0.000 0.978 48 T CB -0.007 68.845 68.868 -0.027 0.000 0.930 48 T HN 0.181 nan 8.240 nan 0.000 0.447 49 I N 4.057 124.615 120.570 -0.020 0.000 2.405 49 I HA 0.297 4.467 4.170 0.001 0.000 0.280 49 I C 0.416 176.515 176.117 -0.029 0.000 1.027 49 I CA -0.450 60.838 61.300 -0.020 0.000 1.161 49 I CB 1.007 39.001 38.000 -0.010 0.000 1.300 49 I HN 0.576 nan 8.210 nan 0.000 0.463 50 T N 3.749 118.277 114.554 -0.042 0.000 2.870 50 T HA 0.393 4.743 4.350 0.001 0.000 0.277 50 T C 0.515 175.194 174.700 -0.034 0.000 1.000 50 T CA -0.750 61.315 62.100 -0.058 0.000 0.982 50 T CB 2.391 71.194 68.868 -0.108 0.000 1.249 50 T HN 0.554 nan 8.240 nan 0.000 0.589 51 K N 0.026 120.410 120.400 -0.027 0.000 2.586 51 K HA 0.124 4.445 4.320 0.001 0.000 0.198 51 K C -0.708 175.894 176.600 0.002 0.000 1.170 51 K CA -0.120 56.162 56.287 -0.007 0.000 1.069 51 K CB 0.680 33.182 32.500 0.003 0.000 0.944 51 K HN 0.585 nan 8.250 nan 0.000 0.572 52 D N -0.020 120.369 120.400 -0.018 0.000 2.274 52 D HA 0.129 4.770 4.640 0.001 0.000 0.239 52 D C 0.836 177.131 176.300 -0.008 0.000 1.104 52 D CA 0.049 54.052 54.000 0.004 0.000 0.840 52 D CB 1.708 42.484 40.800 -0.040 0.000 1.100 52 D HN 0.328 nan 8.370 nan 0.000 0.477 53 G N 3.129 111.937 108.800 0.013 0.000 2.806 53 G HA2 -0.286 3.675 3.960 0.001 0.000 0.214 53 G HA3 -0.286 3.675 3.960 0.001 0.000 0.214 53 G C 1.699 176.599 174.900 0.001 0.000 1.331 53 G CA 2.140 47.244 45.100 0.006 0.000 0.807 53 G HN 0.543 nan 8.290 nan 0.000 0.644 54 V N -0.556 119.365 119.914 0.012 0.000 2.363 54 V HA -0.265 3.855 4.120 0.001 0.000 0.254 54 V C 2.744 178.834 176.094 -0.006 0.000 1.074 54 V CA 2.912 65.217 62.300 0.009 0.000 1.069 54 V CB -1.811 30.026 31.823 0.023 0.000 0.659 54 V HN 0.399 nan 8.190 nan 0.000 0.455 55 T N 0.368 114.907 114.554 -0.025 0.000 2.708 55 T HA -0.135 4.216 4.350 0.001 0.000 0.266 55 T C 1.960 176.637 174.700 -0.039 0.000 1.037 55 T CA 1.869 63.937 62.100 -0.052 0.000 1.146 55 T CB -0.372 68.422 68.868 -0.124 0.000 0.865 55 T HN 0.389 nan 8.240 nan 0.000 0.435 56 V N 1.710 121.604 119.914 -0.035 0.000 2.244 56 V HA -0.131 3.989 4.120 0.001 0.000 0.244 56 V C 2.945 179.029 176.094 -0.017 0.000 1.042 56 V CA 1.647 63.931 62.300 -0.026 0.000 1.006 56 V CB -1.368 30.442 31.823 -0.021 0.000 0.641 56 V HN 0.528 nan 8.190 nan 0.000 0.446 57 A N -0.138 122.675 122.820 -0.012 0.000 1.915 57 A HA -0.350 3.971 4.320 0.001 0.000 0.220 57 A C 2.229 179.808 177.584 -0.008 0.000 1.198 57 A CA 2.557 54.590 52.037 -0.008 0.000 0.647 57 A CB -0.628 18.370 19.000 -0.003 0.000 0.825 57 A HN 0.583 nan 8.150 nan 0.000 0.456 58 K N -0.855 119.541 120.400 -0.008 0.000 2.280 58 K HA -0.098 4.222 4.320 0.001 0.000 0.202 58 K C 1.576 178.171 176.600 -0.008 0.000 1.047 58 K CA 1.113 57.397 56.287 -0.006 0.000 0.942 58 K CB -0.036 32.462 32.500 -0.003 0.000 0.739 58 K HN 0.434 nan 8.250 nan 0.000 0.457 59 E N 0.525 120.718 120.200 -0.012 0.000 2.371 59 E HA -0.015 4.335 4.350 0.001 0.000 0.194 59 E C 0.149 176.741 176.600 -0.015 0.000 1.012 59 E CA 0.255 56.647 56.400 -0.013 0.000 0.860 59 E CB 0.209 29.900 29.700 -0.016 0.000 0.811 59 E HN -0.037 nan 8.360 nan 0.000 0.502 60 V N 2.385 122.290 119.914 -0.015 0.000 2.479 60 V HA 0.032 4.152 4.120 0.001 0.000 0.281 60 V C 0.079 176.162 176.094 -0.019 0.000 1.031 60 V CA 0.203 62.492 62.300 -0.017 0.000 1.038 60 V CB 0.728 32.542 31.823 -0.015 0.000 0.981 60 V HN 0.015 nan 8.190 nan 0.000 0.478 61 E N 4.774 124.960 120.200 -0.025 0.000 2.283 61 E HA 0.503 4.854 4.350 0.001 0.000 0.258 61 E C -1.105 175.470 176.600 -0.042 0.000 0.893 61 E CA -0.382 55.998 56.400 -0.032 0.000 0.798 61 E CB 1.179 30.860 29.700 -0.032 0.000 1.242 61 E HN 0.593 nan 8.360 nan 0.000 0.414 62 L N 3.628 124.822 121.223 -0.048 0.000 2.375 62 L HA 0.384 4.725 4.340 0.001 0.000 0.271 62 L C 1.564 178.381 176.870 -0.089 0.000 1.107 62 L CA -0.295 54.513 54.840 -0.055 0.000 0.806 62 L CB 1.313 43.346 42.059 -0.043 0.000 1.146 62 L HN 0.726 nan 8.230 nan 0.000 0.447 63 E N 1.050 121.200 120.200 -0.083 0.000 2.107 63 E HA -0.174 4.176 4.350 0.001 0.000 0.191 63 E C 0.170 176.675 176.600 -0.157 0.000 0.982 63 E CA 0.563 56.897 56.400 -0.111 0.000 0.809 63 E CB 0.323 29.983 29.700 -0.067 0.000 0.756 63 E HN 0.694 nan 8.360 nan 0.000 0.459 64 D N -0.362 119.979 120.400 -0.098 0.000 2.325 64 D HA -0.023 4.618 4.640 0.001 0.000 0.251 64 D C 0.945 177.203 176.300 -0.071 0.000 1.196 64 D CA 0.040 54.002 54.000 -0.062 0.000 0.866 64 D CB 0.546 41.341 40.800 -0.007 0.000 1.101 64 D HN 0.134 nan 8.370 nan 0.000 0.476 65 H N 3.492 122.559 119.070 -0.006 0.000 2.272 65 H HA -0.209 4.347 4.556 -0.001 0.000 0.289 65 H C 1.795 177.117 175.328 -0.010 0.000 1.100 65 H CA 1.652 57.695 56.048 -0.008 0.000 1.209 65 H CB -0.088 29.669 29.762 -0.009 0.000 1.348 65 H HN 0.503 nan 8.280 nan 0.000 0.481 66 L N 0.474 121.768 121.223 0.119 0.000 2.046 66 L HA -0.172 4.169 4.340 0.001 0.000 0.208 66 L C 2.558 179.444 176.870 0.027 0.000 1.077 66 L CA 1.261 56.133 54.840 0.054 0.000 0.747 66 L CB -0.517 41.563 42.059 0.035 0.000 0.896 66 L HN 0.303 nan 8.230 nan 0.000 0.432 67 E N 0.122 120.333 120.200 0.018 0.000 2.110 67 E HA -0.241 4.110 4.350 0.001 0.000 0.193 67 E C 1.884 178.481 176.600 -0.005 0.000 0.988 67 E CA 1.304 57.706 56.400 0.003 0.000 0.804 67 E CB -0.070 29.628 29.700 -0.003 0.000 0.745 67 E HN 0.393 nan 8.360 nan 0.000 0.458 68 N N 0.864 119.556 118.700 -0.013 0.000 2.142 68 N HA -0.122 4.619 4.740 0.001 0.000 0.186 68 N C 1.657 177.164 175.510 -0.005 0.000 1.023 68 N CA 0.908 53.945 53.050 -0.022 0.000 0.852 68 N CB -0.043 38.412 38.487 -0.053 0.000 0.998 68 N HN 0.087 nan 8.380 nan 0.000 0.424 69 I N -0.250 120.326 120.570 0.009 0.000 2.248 69 I HA -0.214 3.957 4.170 0.001 0.000 0.248 69 I C 2.254 178.373 176.117 0.003 0.000 1.107 69 I CA 1.379 62.686 61.300 0.011 0.000 1.373 69 I CB -0.704 37.306 38.000 0.015 0.000 1.055 69 I HN 0.301 nan 8.210 nan 0.000 0.418 70 G N 0.300 109.101 108.800 0.002 0.000 2.402 70 G HA2 -0.177 3.784 3.960 0.001 0.000 0.216 70 G HA3 -0.177 3.784 3.960 0.001 0.000 0.216 70 G C 1.885 176.784 174.900 -0.002 0.000 1.162 70 G CA 0.715 45.815 45.100 -0.000 0.000 0.777 70 G HN 0.484 nan 8.290 nan 0.000 0.539 71 A N 0.237 123.055 122.820 -0.004 0.000 1.908 71 A HA -0.111 4.210 4.320 0.001 0.000 0.218 71 A C 2.423 180.004 177.584 -0.004 0.000 1.181 71 A CA 1.999 54.032 52.037 -0.006 0.000 0.627 71 A CB -0.352 18.641 19.000 -0.012 0.000 0.818 71 A HN 0.341 nan 8.150 nan 0.000 0.445 72 Q N -0.134 119.664 119.800 -0.003 0.000 1.993 72 Q HA -0.113 4.228 4.340 0.001 0.000 0.202 72 Q C 2.254 178.254 176.000 0.000 0.000 0.984 72 Q CA 1.437 57.239 55.803 -0.001 0.000 0.837 72 Q CB -0.771 27.968 28.738 0.001 0.000 0.902 72 Q HN 0.706 nan 8.270 nan 0.000 0.423 73 L N 0.457 121.681 121.223 0.001 0.000 2.103 73 L HA -0.252 4.089 4.340 0.001 0.000 0.215 73 L C 2.473 179.344 176.870 0.001 0.000 1.080 73 L CA 0.917 55.758 54.840 0.001 0.000 0.764 73 L CB -0.576 41.483 42.059 0.000 0.000 0.890 73 L HN 0.178 nan 8.230 nan 0.000 0.435 74 L N -0.412 120.811 121.223 0.001 0.000 2.072 74 L HA -0.154 4.187 4.340 0.001 0.000 0.205 74 L C 2.526 179.398 176.870 0.002 0.000 1.079 74 L CA 1.644 56.484 54.840 0.001 0.000 0.752 74 L CB -0.387 41.672 42.059 0.000 0.000 0.906 74 L HN 0.050 nan 8.230 nan 0.000 0.436 75 K N -0.417 119.983 120.400 0.001 0.000 2.074 75 K HA -0.289 4.031 4.320 0.001 0.000 0.209 75 K C 2.053 178.656 176.600 0.004 0.000 1.048 75 K CA 1.971 58.259 56.287 0.002 0.000 0.926 75 K CB -0.223 32.277 32.500 0.001 0.000 0.713 75 K HN 0.475 nan 8.250 nan 0.000 0.444 76 E N 0.743 120.946 120.200 0.004 0.000 2.058 76 E HA -0.202 4.149 4.350 0.001 0.000 0.194 76 E C 1.912 178.515 176.600 0.006 0.000 0.997 76 E CA 1.352 57.755 56.400 0.005 0.000 0.801 76 E CB 0.090 29.793 29.700 0.004 0.000 0.746 76 E HN 0.032 nan 8.360 nan 0.000 0.450 77 V N 1.152 121.069 119.914 0.005 0.000 2.332 77 V HA -0.320 3.800 4.120 0.001 0.000 0.248 77 V C 2.402 178.500 176.094 0.007 0.000 1.055 77 V CA 1.898 64.201 62.300 0.005 0.000 1.038 77 V CB -0.847 30.978 31.823 0.005 0.000 0.651 77 V HN 0.479 nan 8.190 nan 0.000 0.450 78 A N 0.643 123.468 122.820 0.007 0.000 1.845 78 A HA -0.227 4.094 4.320 0.001 0.000 0.215 78 A C 2.595 180.187 177.584 0.012 0.000 1.195 78 A CA 2.584 54.627 52.037 0.009 0.000 0.616 78 A CB -0.974 18.031 19.000 0.008 0.000 0.832 78 A HN 0.677 nan 8.150 nan 0.000 0.443 79 S N 0.090 115.798 115.700 0.012 0.000 2.348 79 S HA -0.235 4.236 4.470 0.001 0.000 0.221 79 S C 1.928 176.537 174.600 0.014 0.000 1.033 79 S CA 1.876 60.085 58.200 0.015 0.000 1.010 79 S CB -0.478 62.730 63.200 0.014 0.000 0.891 79 S HN 0.417 nan 8.310 nan 0.000 0.442 80 K N 1.409 121.816 120.400 0.011 0.000 2.286 80 K HA -0.044 4.276 4.320 0.001 0.000 0.203 80 K C 1.901 178.507 176.600 0.010 0.000 1.045 80 K CA 1.991 58.284 56.287 0.010 0.000 0.935 80 K CB -1.125 31.380 32.500 0.008 0.000 0.737 80 K HN 0.539 nan 8.250 nan 0.000 0.460 81 T N -0.204 114.356 114.554 0.011 0.000 2.978 81 T HA -0.031 4.319 4.350 0.001 0.000 0.262 81 T C 1.448 176.155 174.700 0.012 0.000 1.063 81 T CA 1.154 63.260 62.100 0.010 0.000 1.140 81 T CB -0.308 68.566 68.868 0.009 0.000 0.886 81 T HN 0.366 nan 8.240 nan 0.000 0.470 82 N N 1.384 120.094 118.700 0.017 0.000 2.270 82 N HA -0.096 4.645 4.740 0.001 0.000 0.181 82 N C 1.335 176.856 175.510 0.018 0.000 1.016 82 N CA 1.100 54.164 53.050 0.023 0.000 0.870 82 N CB -0.127 38.379 38.487 0.033 0.000 0.979 82 N HN 0.170 nan 8.380 nan 0.000 0.431 83 D N -0.658 119.751 120.400 0.016 0.000 2.123 83 D HA -0.053 4.588 4.640 0.001 0.000 0.200 83 D C 1.718 178.024 176.300 0.009 0.000 0.976 83 D CA 0.810 54.818 54.000 0.013 0.000 0.831 83 D CB -0.224 40.583 40.800 0.013 0.000 0.974 83 D HN 0.098 nan 8.370 nan 0.000 0.469 84 V N -0.004 119.915 119.914 0.008 0.000 3.306 84 V HA 0.126 4.246 4.120 0.001 0.000 0.264 84 V C 1.632 177.728 176.094 0.004 0.000 1.149 84 V CA 1.367 63.671 62.300 0.006 0.000 1.143 84 V CB 0.152 31.978 31.823 0.005 0.000 0.767 84 V HN 0.250 nan 8.190 nan 0.000 0.476 85 A N -1.830 120.992 122.820 0.004 0.000 2.644 85 A HA 0.505 4.826 4.320 0.001 0.000 0.193 85 A C 1.745 179.328 177.584 -0.000 0.000 1.464 85 A CA 0.912 52.950 52.037 0.001 0.000 1.095 85 A CB 0.319 19.320 19.000 0.001 0.000 1.405 85 A HN 1.013 nan 8.150 nan 0.000 0.558 86 G N -0.389 108.413 108.800 0.004 0.000 2.228 86 G HA2 -0.272 3.689 3.960 0.001 0.000 0.270 86 G HA3 -0.272 3.689 3.960 0.001 0.000 0.270 86 G C -0.006 174.895 174.900 0.002 0.000 0.976 86 G CA 1.179 46.281 45.100 0.003 0.000 0.636 86 G HN 0.974 nan 8.290 nan 0.000 0.542 87 D N -2.578 117.823 120.400 0.002 0.000 2.583 87 D HA 0.579 5.220 4.640 0.001 0.000 0.248 87 D C 0.787 177.091 176.300 0.005 0.000 1.209 87 D CA 1.000 55.002 54.000 0.003 0.000 0.848 87 D CB 0.699 41.492 40.800 -0.011 0.000 1.431 87 D HN 1.322 nan 8.370 nan 0.000 0.436 88 G N 0.530 109.333 108.800 0.006 0.000 2.132 88 G HA2 -0.296 3.664 3.960 0.001 0.000 0.234 88 G HA3 -0.296 3.664 3.960 0.001 0.000 0.234 88 G C 0.940 175.845 174.900 0.009 0.000 0.989 88 G CA 1.155 46.258 45.100 0.004 0.000 0.676 88 G HN 0.755 nan 8.290 nan 0.000 0.522 89 T N -2.402 112.161 114.554 0.015 0.000 2.737 89 T HA -0.108 4.242 4.350 0.001 0.000 0.265 89 T C 2.251 176.957 174.700 0.011 0.000 1.038 89 T CA 2.405 64.515 62.100 0.016 0.000 1.144 89 T CB -0.644 68.238 68.868 0.024 0.000 0.866 89 T HN 0.305 nan 8.240 nan 0.000 0.434 90 T N 2.114 116.674 114.554 0.011 0.000 2.652 90 T HA -0.131 4.219 4.350 0.001 0.000 0.267 90 T C 2.273 176.976 174.700 0.005 0.000 1.039 90 T CA 1.969 64.073 62.100 0.007 0.000 1.153 90 T CB -1.109 67.762 68.868 0.006 0.000 0.863 90 T HN 0.493 nan 8.240 nan 0.000 0.428 91 T N 1.832 116.388 114.554 0.004 0.000 2.737 91 T HA -0.091 4.259 4.350 0.001 0.000 0.269 91 T C 2.294 176.996 174.700 0.003 0.000 1.040 91 T CA 1.226 63.327 62.100 0.002 0.000 1.142 91 T CB -0.492 68.375 68.868 -0.000 0.000 0.861 91 T HN 0.455 nan 8.240 nan 0.000 0.456 92 A N 1.126 123.949 122.820 0.004 0.000 1.929 92 A HA -0.068 4.253 4.320 0.001 0.000 0.216 92 A C 2.537 180.124 177.584 0.005 0.000 1.176 92 A CA 1.851 53.891 52.037 0.005 0.000 0.628 92 A CB -1.037 17.966 19.000 0.006 0.000 0.816 92 A HN 0.494 nan 8.150 nan 0.000 0.444 93 T N -0.118 114.439 114.554 0.005 0.000 2.643 93 T HA -0.147 4.204 4.350 0.001 0.000 0.264 93 T C 1.885 176.587 174.700 0.004 0.000 1.045 93 T CA 1.653 63.755 62.100 0.004 0.000 1.155 93 T CB -0.713 68.157 68.868 0.003 0.000 0.863 93 T HN 0.119 nan 8.240 nan 0.000 0.420 94 V N 1.784 121.700 119.914 0.004 0.000 2.252 94 V HA -0.197 3.924 4.120 0.001 0.000 0.249 94 V C 2.588 178.684 176.094 0.005 0.000 1.056 94 V CA 1.746 64.048 62.300 0.004 0.000 1.022 94 V CB -0.826 30.999 31.823 0.005 0.000 0.641 94 V HN 0.425 nan 8.190 nan 0.000 0.445 95 L N -0.291 120.935 121.223 0.004 0.000 2.127 95 L HA -0.204 4.137 4.340 0.001 0.000 0.211 95 L C 2.604 179.477 176.870 0.005 0.000 1.089 95 L CA 1.460 56.303 54.840 0.005 0.000 0.757 95 L CB -0.731 41.331 42.059 0.005 0.000 0.899 95 L HN 0.395 nan 8.230 nan 0.000 0.434 96 A N -0.565 122.257 122.820 0.004 0.000 1.854 96 A HA -0.256 4.065 4.320 0.001 0.000 0.214 96 A C 2.249 179.835 177.584 0.004 0.000 1.192 96 A CA 1.567 53.606 52.037 0.004 0.000 0.611 96 A CB -0.593 18.409 19.000 0.004 0.000 0.832 96 A HN 0.434 nan 8.150 nan 0.000 0.442 97 Q N -0.388 119.414 119.800 0.004 0.000 2.062 97 Q HA -0.237 4.104 4.340 0.001 0.000 0.209 97 Q C 2.213 178.216 176.000 0.004 0.000 0.996 97 Q CA 2.250 58.055 55.803 0.004 0.000 0.859 97 Q CB -0.424 28.316 28.738 0.004 0.000 0.920 97 Q HN 0.596 nan 8.270 nan 0.000 0.415 98 A N 0.832 123.655 122.820 0.005 0.000 1.873 98 A HA -0.234 4.086 4.320 0.001 0.000 0.218 98 A C 2.039 179.627 177.584 0.006 0.000 1.193 98 A CA 1.867 53.907 52.037 0.006 0.000 0.629 98 A CB -0.949 18.054 19.000 0.006 0.000 0.826 98 A HN 0.549 nan 8.150 nan 0.000 0.447 99 I N -0.412 120.161 120.570 0.005 0.000 2.286 99 I HA -0.222 3.948 4.170 0.001 0.000 0.248 99 I C 2.316 178.436 176.117 0.005 0.000 1.115 99 I CA 1.164 62.468 61.300 0.005 0.000 1.392 99 I CB -0.334 37.669 38.000 0.005 0.000 1.065 99 I HN 0.177 nan 8.210 nan 0.000 0.418 100 V N 1.801 121.718 119.914 0.005 0.000 2.358 100 V HA -0.260 3.860 4.120 0.001 0.000 0.246 100 V C 2.640 178.737 176.094 0.005 0.000 1.047 100 V CA 2.280 64.582 62.300 0.005 0.000 1.035 100 V CB -0.878 30.947 31.823 0.004 0.000 0.658 100 V HN 0.528 nan 8.190 nan 0.000 0.452 101 R N 1.018 121.521 120.500 0.005 0.000 2.064 101 R HA -0.180 4.160 4.340 0.001 0.000 0.228 101 R C 2.157 178.461 176.300 0.006 0.000 1.144 101 R CA 1.893 57.996 56.100 0.006 0.000 0.932 101 R CB -0.807 29.496 30.300 0.006 0.000 0.833 101 R HN 0.395 nan 8.270 nan 0.000 0.429 102 E N 0.930 121.134 120.200 0.006 0.000 2.219 102 E HA -0.121 4.230 4.350 0.001 0.000 0.198 102 E C 1.829 178.433 176.600 0.007 0.000 0.998 102 E CA 1.879 58.283 56.400 0.006 0.000 0.818 102 E CB -0.525 29.179 29.700 0.006 0.000 0.741 102 E HN 0.582 nan 8.360 nan 0.000 0.477 103 G N -0.039 108.765 108.800 0.007 0.000 2.408 103 G HA2 -0.138 3.822 3.960 0.001 0.000 0.213 103 G HA3 -0.138 3.822 3.960 0.001 0.000 0.213 103 G C 1.562 176.467 174.900 0.008 0.000 1.177 103 G CA 0.433 45.537 45.100 0.007 0.000 0.802 103 G HN 0.290 nan 8.290 nan 0.000 0.533 104 L N 0.439 121.667 121.223 0.007 0.000 2.127 104 L HA -0.096 4.245 4.340 0.001 0.000 0.211 104 L C 2.830 179.706 176.870 0.009 0.000 1.089 104 L CA 1.369 56.214 54.840 0.009 0.000 0.757 104 L CB -0.246 41.818 42.059 0.008 0.000 0.899 104 L HN 0.257 nan 8.230 nan 0.000 0.434 105 K N 0.368 120.773 120.400 0.008 0.000 1.985 105 K HA -0.191 4.130 4.320 0.001 0.000 0.210 105 K C 1.833 178.438 176.600 0.009 0.000 1.047 105 K CA 1.574 57.866 56.287 0.008 0.000 0.932 105 K CB -0.056 32.448 32.500 0.007 0.000 0.716 105 K HN 0.310 nan 8.250 nan 0.000 0.439 106 N N 0.750 119.455 118.700 0.008 0.000 2.272 106 N HA -0.139 4.601 4.740 0.001 0.000 0.185 106 N C 1.809 177.324 175.510 0.009 0.000 1.014 106 N CA 1.084 54.139 53.050 0.008 0.000 0.870 106 N CB -0.142 38.350 38.487 0.008 0.000 0.975 106 N HN 0.071 nan 8.380 nan 0.000 0.433 107 V N 1.344 121.264 119.914 0.010 0.000 2.379 107 V HA -0.108 4.012 4.120 0.001 0.000 0.245 107 V C 2.454 178.556 176.094 0.013 0.000 1.044 107 V CA 1.574 63.881 62.300 0.012 0.000 1.036 107 V CB -0.818 31.013 31.823 0.013 0.000 0.664 107 V HN 0.250 nan 8.190 nan 0.000 0.453 108 A N 0.217 123.044 122.820 0.013 0.000 1.972 108 A HA -0.041 4.280 4.320 0.001 0.000 0.219 108 A C 2.215 179.806 177.584 0.011 0.000 1.169 108 A CA 1.694 53.739 52.037 0.013 0.000 0.635 108 A CB -0.601 18.407 19.000 0.012 0.000 0.810 108 A HN 0.584 nan 8.150 nan 0.000 0.446 109 A N -1.702 121.124 122.820 0.010 0.000 2.255 109 A HA 0.393 4.714 4.320 0.001 0.000 0.206 109 A C 1.740 179.329 177.584 0.009 0.000 1.193 109 A CA 1.231 53.273 52.037 0.008 0.000 0.794 109 A CB -1.072 17.933 19.000 0.008 0.000 0.794 109 A HN 1.878 nan 8.150 nan 0.000 0.481 110 G N -2.273 106.533 108.800 0.010 0.000 2.175 110 G HA2 0.097 4.057 3.960 0.001 0.000 0.244 110 G HA3 0.097 4.057 3.960 0.001 0.000 0.244 110 G C 0.454 175.360 174.900 0.010 0.000 0.982 110 G CA 0.193 45.299 45.100 0.010 0.000 0.641 110 G HN 1.613 nan 8.290 nan 0.000 0.527 111 A N -0.018 122.808 122.820 0.010 0.000 2.498 111 A HA 0.530 4.851 4.320 0.001 0.000 0.239 111 A C 0.567 178.157 177.584 0.010 0.000 1.068 111 A CA 0.662 52.705 52.037 0.009 0.000 0.766 111 A CB 0.215 19.220 19.000 0.008 0.000 1.003 111 A HN 1.117 nan 8.150 nan 0.000 0.497 112 N N 2.906 121.611 118.700 0.009 0.000 2.405 112 N HA 0.179 4.920 4.740 0.001 0.000 0.260 112 N C -1.152 174.363 175.510 0.010 0.000 1.152 112 N CA -1.828 51.228 53.050 0.010 0.000 0.948 112 N CB 0.866 39.359 38.487 0.009 0.000 1.111 112 N HN 0.305 nan 8.380 nan 0.000 0.485 113 P HA -0.202 nan 4.420 nan 0.000 0.216 113 P C 1.358 178.663 177.300 0.008 0.000 1.150 113 P CA 1.245 64.351 63.100 0.009 0.000 0.837 113 P CB 0.309 32.015 31.700 0.010 0.000 0.786 114 L N -0.373 120.855 121.223 0.008 0.000 2.012 114 L HA -0.175 4.166 4.340 0.001 0.000 0.210 114 L C 2.876 179.750 176.870 0.007 0.000 1.073 114 L CA 1.939 56.783 54.840 0.007 0.000 0.748 114 L CB -1.473 40.591 42.059 0.008 0.000 0.891 114 L HN -0.029 nan 8.230 nan 0.000 0.431 115 A N 0.099 122.923 122.820 0.007 0.000 1.933 115 A HA -0.138 4.183 4.320 0.001 0.000 0.218 115 A C 2.282 179.869 177.584 0.006 0.000 1.175 115 A CA 1.242 53.282 52.037 0.006 0.000 0.628 115 A CB -0.665 18.338 19.000 0.007 0.000 0.814 115 A HN 0.354 nan 8.150 nan 0.000 0.444 116 L N -0.732 120.495 121.223 0.007 0.000 2.079 116 L HA -0.244 4.096 4.340 0.001 0.000 0.210 116 L C 2.646 179.520 176.870 0.006 0.000 1.081 116 L CA 2.010 56.854 54.840 0.007 0.000 0.752 116 L CB -0.436 41.627 42.059 0.007 0.000 0.896 116 L HN 0.461 nan 8.230 nan 0.000 0.433 117 K N 0.178 120.582 120.400 0.006 0.000 1.985 117 K HA -0.186 4.135 4.320 0.001 0.000 0.210 117 K C 2.304 178.907 176.600 0.005 0.000 1.047 117 K CA 1.336 57.626 56.287 0.005 0.000 0.932 117 K CB -0.020 32.483 32.500 0.005 0.000 0.716 117 K HN 0.154 nan 8.250 nan 0.000 0.439 118 R N -0.505 119.999 120.500 0.005 0.000 2.113 118 R HA -0.169 4.172 4.340 0.001 0.000 0.244 118 R C 2.435 178.738 176.300 0.005 0.000 1.142 118 R CA 1.653 57.756 56.100 0.005 0.000 0.953 118 R CB -0.719 29.584 30.300 0.005 0.000 0.860 118 R HN 0.415 nan 8.270 nan 0.000 0.438 119 G N 0.983 109.786 108.800 0.006 0.000 2.418 119 G HA2 -0.212 3.748 3.960 0.001 0.000 0.217 119 G HA3 -0.212 3.748 3.960 0.001 0.000 0.217 119 G C 1.480 176.384 174.900 0.006 0.000 1.158 119 G CA 0.562 45.665 45.100 0.006 0.000 0.771 119 G HN 0.179 nan 8.290 nan 0.000 0.545 120 I N 0.451 121.025 120.570 0.006 0.000 2.179 120 I HA -0.152 4.018 4.170 0.001 0.000 0.242 120 I C 2.778 178.898 176.117 0.006 0.000 1.088 120 I CA 1.281 62.584 61.300 0.006 0.000 1.357 120 I CB -0.311 37.693 38.000 0.006 0.000 1.051 120 I HN 0.256 nan 8.210 nan 0.000 0.409 121 E N 1.094 121.297 120.200 0.005 0.000 2.033 121 E HA -0.266 4.085 4.350 0.001 0.000 0.199 121 E C 2.196 178.799 176.600 0.005 0.000 1.011 121 E CA 1.495 57.898 56.400 0.005 0.000 0.815 121 E CB -0.094 29.609 29.700 0.005 0.000 0.755 121 E HN 0.431 nan 8.360 nan 0.000 0.451 122 K N 0.477 120.880 120.400 0.005 0.000 2.032 122 K HA -0.170 4.151 4.320 0.001 0.000 0.209 122 K C 2.269 178.872 176.600 0.006 0.000 1.048 122 K CA 1.176 57.466 56.287 0.005 0.000 0.927 122 K CB -0.251 32.252 32.500 0.005 0.000 0.712 122 K HN 0.081 nan 8.250 nan 0.000 0.441 123 A N 1.316 124.139 122.820 0.006 0.000 1.883 123 A HA -0.156 4.164 4.320 0.001 0.000 0.217 123 A C 2.462 180.051 177.584 0.007 0.000 1.186 123 A CA 1.763 53.804 52.037 0.007 0.000 0.624 123 A CB -0.845 18.159 19.000 0.007 0.000 0.822 123 A HN 0.087 nan 8.150 nan 0.000 0.444 124 V N 0.105 120.023 119.914 0.006 0.000 2.287 124 V HA -0.305 3.815 4.120 0.001 0.000 0.248 124 V C 2.396 178.494 176.094 0.006 0.000 1.053 124 V CA 2.333 64.637 62.300 0.006 0.000 1.027 124 V CB -1.023 30.803 31.823 0.006 0.000 0.646 124 V HN 0.634 nan 8.190 nan 0.000 0.447 125 E N 0.482 120.685 120.200 0.006 0.000 2.033 125 E HA -0.288 4.063 4.350 0.001 0.000 0.199 125 E C 2.382 178.985 176.600 0.006 0.000 1.011 125 E CA 1.559 57.962 56.400 0.006 0.000 0.815 125 E CB -0.455 29.248 29.700 0.005 0.000 0.755 125 E HN 0.580 nan 8.360 nan 0.000 0.451 126 A N 1.446 124.270 122.820 0.007 0.000 1.917 126 A HA -0.240 4.080 4.320 0.001 0.000 0.219 126 A C 2.388 179.977 177.584 0.008 0.000 1.182 126 A CA 2.157 54.199 52.037 0.007 0.000 0.633 126 A CB -0.795 18.210 19.000 0.007 0.000 0.819 126 A HN 0.336 nan 8.150 nan 0.000 0.448 127 A N -0.667 122.158 122.820 0.008 0.000 1.877 127 A HA -0.002 4.318 4.320 0.001 0.000 0.216 127 A C 2.247 179.836 177.584 0.008 0.000 1.186 127 A CA 1.851 53.893 52.037 0.008 0.000 0.620 127 A CB -1.046 17.959 19.000 0.008 0.000 0.822 127 A HN 0.460 nan 8.150 nan 0.000 0.443 128 V N 0.115 120.034 119.914 0.007 0.000 2.287 128 V HA -0.305 3.816 4.120 0.001 0.000 0.248 128 V C 2.511 178.609 176.094 0.006 0.000 1.053 128 V CA 2.370 64.674 62.300 0.006 0.000 1.027 128 V CB -0.863 30.963 31.823 0.005 0.000 0.646 128 V HN 0.754 nan 8.190 nan 0.000 0.447 129 E N 0.225 120.429 120.200 0.007 0.000 2.130 129 E HA -0.334 4.016 4.350 0.001 0.000 0.196 129 E C 2.174 178.779 176.600 0.008 0.000 0.998 129 E CA 1.791 58.195 56.400 0.007 0.000 0.806 129 E CB -0.036 29.668 29.700 0.007 0.000 0.738 129 E HN 0.501 nan 8.360 nan 0.000 0.459 130 K N 0.542 120.948 120.400 0.009 0.000 2.217 130 K HA -0.049 4.272 4.320 0.001 0.000 0.202 130 K C 1.817 178.423 176.600 0.010 0.000 1.051 130 K CA 0.845 57.138 56.287 0.010 0.000 0.952 130 K CB -0.102 32.405 32.500 0.012 0.000 0.736 130 K HN 0.180 nan 8.250 nan 0.000 0.453 131 I N 0.591 121.166 120.570 0.009 0.000 2.202 131 I HA -0.298 3.873 4.170 0.001 0.000 0.242 131 I C 2.059 178.180 176.117 0.007 0.000 1.091 131 I CA 1.343 62.648 61.300 0.008 0.000 1.368 131 I CB -0.296 37.708 38.000 0.006 0.000 1.058 131 I HN 0.131 nan 8.210 nan 0.000 0.410 132 K N 1.306 121.710 120.400 0.006 0.000 1.991 132 K HA -0.185 4.136 4.320 0.001 0.000 0.212 132 K C 2.306 178.910 176.600 0.007 0.000 1.049 132 K CA 1.704 57.995 56.287 0.006 0.000 0.932 132 K CB -0.508 31.995 32.500 0.005 0.000 0.717 132 K HN 0.296 nan 8.250 nan 0.000 0.441 133 A N 1.284 124.108 122.820 0.008 0.000 2.054 133 A HA -0.191 4.130 4.320 0.001 0.000 0.223 133 A C 1.938 179.528 177.584 0.010 0.000 1.169 133 A CA 1.639 53.682 52.037 0.009 0.000 0.655 133 A CB -0.661 18.345 19.000 0.009 0.000 0.812 133 A HN 0.261 nan 8.150 nan 0.000 0.462 134 L N -1.295 119.934 121.223 0.010 0.000 2.640 134 L HA 0.284 4.625 4.340 0.001 0.000 0.230 134 L C 1.175 178.050 176.870 0.009 0.000 1.123 134 L CA -0.091 54.756 54.840 0.012 0.000 0.900 134 L CB -0.155 41.913 42.059 0.014 0.000 1.146 134 L HN 0.345 nan 8.230 nan 0.000 0.484 135 A N 1.133 123.958 122.820 0.007 0.000 2.477 135 A HA 0.447 4.768 4.320 0.001 0.000 0.246 135 A C -0.146 177.441 177.584 0.005 0.000 1.078 135 A CA 0.224 52.264 52.037 0.005 0.000 0.770 135 A CB 0.170 19.172 19.000 0.004 0.000 1.011 135 A HN 0.175 nan 8.150 nan 0.000 0.494 136 I N 3.214 123.787 120.570 0.004 0.000 2.465 136 I HA 0.289 4.460 4.170 0.001 0.000 0.291 136 I C -2.398 173.721 176.117 0.003 0.000 1.014 136 I CA -2.210 59.093 61.300 0.004 0.000 1.093 136 I CB 2.532 40.535 38.000 0.005 0.000 1.267 136 I HN 0.421 nan 8.210 nan 0.000 0.431 137 P HA 0.072 nan 4.420 nan 0.000 0.271 137 P C -0.682 176.620 177.300 0.003 0.000 1.216 137 P CA -0.217 62.885 63.100 0.003 0.000 0.771 137 P CB 0.576 32.278 31.700 0.004 0.000 0.864 138 V N 3.733 123.648 119.914 0.003 0.000 2.508 138 V HA 0.098 4.219 4.120 0.001 0.000 0.281 138 V C 1.044 177.140 176.094 0.004 0.000 1.041 138 V CA 0.601 62.903 62.300 0.003 0.000 1.016 138 V CB 0.177 32.002 31.823 0.003 0.000 0.984 138 V HN 0.628 nan 8.190 nan 0.000 0.478 139 E N 2.582 122.784 120.200 0.004 0.000 2.789 139 E HA 0.192 4.543 4.350 0.001 0.000 0.217 139 E C -0.606 175.998 176.600 0.006 0.000 0.970 139 E CA -0.121 56.282 56.400 0.005 0.000 1.201 139 E CB 0.797 30.499 29.700 0.005 0.000 1.069 139 E HN 1.003 nan 8.360 nan 0.000 0.499 140 D N -1.069 119.335 120.400 0.007 0.000 2.710 140 D HA 0.044 4.684 4.640 0.001 0.000 0.276 140 D C 0.444 176.750 176.300 0.010 0.000 1.267 140 D CA -0.711 53.294 54.000 0.008 0.000 0.772 140 D CB 0.928 41.731 40.800 0.006 0.000 1.299 140 D HN -0.237 nan 8.370 nan 0.000 0.421 141 R N 0.560 121.068 120.500 0.012 0.000 2.117 141 R HA -0.170 4.170 4.340 0.001 0.000 0.243 141 R C 1.819 178.127 176.300 0.012 0.000 1.143 141 R CA 1.752 57.862 56.100 0.016 0.000 0.968 141 R CB -0.284 30.027 30.300 0.018 0.000 0.863 141 R HN 0.572 nan 8.270 nan 0.000 0.444 142 K N -0.290 120.115 120.400 0.008 0.000 1.973 142 K HA -0.101 4.220 4.320 0.001 0.000 0.210 142 K C 2.004 178.605 176.600 0.001 0.000 1.045 142 K CA 1.426 57.716 56.287 0.004 0.000 0.937 142 K CB -0.281 32.220 32.500 0.002 0.000 0.721 142 K HN 0.149 nan 8.250 nan 0.000 0.438 143 A N 1.747 124.568 122.820 0.001 0.000 1.954 143 A HA -0.239 4.082 4.320 0.001 0.000 0.222 143 A C 2.119 179.702 177.584 -0.002 0.000 1.199 143 A CA 2.006 54.042 52.037 -0.001 0.000 0.657 143 A CB -0.770 18.231 19.000 0.001 0.000 0.823 143 A HN 0.436 nan 8.150 nan 0.000 0.463 144 I N -1.361 119.211 120.570 0.003 0.000 2.333 144 I HA -0.180 3.991 4.170 0.001 0.000 0.246 144 I C 2.550 178.668 176.117 0.002 0.000 1.106 144 I CA 1.575 62.877 61.300 0.004 0.000 1.411 144 I CB -0.587 37.419 38.000 0.011 0.000 1.082 144 I HN 0.576 nan 8.210 nan 0.000 0.420 145 E N 1.352 121.554 120.200 0.004 0.000 2.118 145 E HA -0.251 4.099 4.350 0.001 0.000 0.195 145 E C 1.864 178.458 176.600 -0.011 0.000 0.992 145 E CA 1.435 57.836 56.400 0.002 0.000 0.804 145 E CB 0.143 29.847 29.700 0.005 0.000 0.741 145 E HN 0.499 nan 8.360 nan 0.000 0.458 146 E N 0.000 120.193 120.200 -0.013 0.000 1.998 146 E HA -0.188 4.162 4.350 0.001 0.000 0.196 146 E C 2.245 178.829 176.600 -0.026 0.000 1.003 146 E CA 1.450 57.837 56.400 -0.022 0.000 0.829 146 E CB -0.255 29.433 29.700 -0.020 0.000 0.777 146 E HN 0.095 nan 8.360 nan 0.000 0.460 147 V N 1.689 121.590 119.914 -0.021 0.000 2.280 147 V HA -0.389 3.731 4.120 0.001 0.000 0.258 147 V C 2.338 178.414 176.094 -0.030 0.000 1.081 147 V CA 2.301 64.587 62.300 -0.023 0.000 1.070 147 V CB -0.896 30.917 31.823 -0.016 0.000 0.666 147 V HN 0.435 nan 8.190 nan 0.000 0.450 148 A N -1.028 121.776 122.820 -0.027 0.000 1.897 148 A HA -0.182 4.138 4.320 0.001 0.000 0.215 148 A C 2.358 179.907 177.584 -0.058 0.000 1.181 148 A CA 2.234 54.250 52.037 -0.036 0.000 0.620 148 A CB -0.914 18.076 19.000 -0.016 0.000 0.821 148 A HN 0.526 nan 8.150 nan 0.000 0.443 149 T N 0.460 114.983 114.554 -0.052 0.000 2.720 149 T HA -0.128 4.222 4.350 0.001 0.000 0.268 149 T C 1.792 176.450 174.700 -0.071 0.000 1.037 149 T CA 1.595 63.656 62.100 -0.065 0.000 1.144 149 T CB -0.400 68.439 68.868 -0.050 0.000 0.864 149 T HN 0.405 nan 8.240 nan 0.000 0.444 150 I N 0.693 121.227 120.570 -0.060 0.000 2.094 150 I HA -0.178 3.993 4.170 0.001 0.000 0.234 150 I C 2.789 178.869 176.117 -0.061 0.000 1.063 150 I CA 1.142 62.405 61.300 -0.061 0.000 1.328 150 I CB -0.501 37.466 38.000 -0.054 0.000 1.058 150 I HN 0.209 nan 8.210 nan 0.000 0.400 151 S N 0.295 115.962 115.700 -0.056 0.000 2.428 151 S HA -0.251 4.220 4.470 0.001 0.000 0.240 151 S C 1.813 176.371 174.600 -0.070 0.000 1.036 151 S CA 1.796 59.964 58.200 -0.054 0.000 1.009 151 S CB -0.201 62.970 63.200 -0.049 0.000 0.803 151 S HN 0.517 nan 8.310 nan 0.000 0.486 152 A N 0.136 122.898 122.820 -0.097 0.000 2.252 152 A HA 0.376 4.696 4.320 0.001 0.000 0.213 152 A C 0.845 178.359 177.584 -0.117 0.000 1.188 152 A CA 0.650 52.606 52.037 -0.135 0.000 0.863 152 A CB -0.381 18.483 19.000 -0.227 0.000 0.893 152 A HN 0.635 nan 8.150 nan 0.000 0.495 153 N N 0.240 118.884 118.700 -0.093 0.000 2.738 153 N HA -0.157 4.584 4.740 0.001 0.000 0.249 153 N C -1.172 174.285 175.510 -0.089 0.000 1.047 153 N CA 1.149 54.153 53.050 -0.078 0.000 0.707 153 N CB -0.847 37.604 38.487 -0.061 0.000 0.937 153 N HN 0.537 nan 8.380 nan 0.000 0.545 154 D N -2.133 118.204 120.400 -0.104 0.000 2.795 154 D HA 0.238 4.879 4.640 0.001 0.000 0.206 154 D C -2.317 173.926 176.300 -0.095 0.000 1.278 154 D CA -1.204 52.732 54.000 -0.106 0.000 0.839 154 D CB 1.525 42.233 40.800 -0.153 0.000 1.700 154 D HN -0.101 nan 8.370 nan 0.000 0.549 155 P HA -0.050 nan 4.420 nan 0.000 0.215 155 P C 1.009 178.287 177.300 -0.035 0.000 1.157 155 P CA 1.093 64.166 63.100 -0.045 0.000 0.863 155 P CB 0.532 32.213 31.700 -0.031 0.000 0.787 156 E N -0.402 119.780 120.200 -0.031 0.000 2.049 156 E HA -0.166 4.184 4.350 0.001 0.000 0.198 156 E C 2.017 178.621 176.600 0.007 0.000 1.007 156 E CA 1.393 57.793 56.400 0.001 0.000 0.809 156 E CB -0.991 28.716 29.700 0.012 0.000 0.749 156 E HN 0.005 nan 8.360 nan 0.000 0.450 157 V N 0.942 120.793 119.914 -0.107 0.000 2.332 157 V HA -0.228 3.893 4.120 0.001 0.000 0.248 157 V C 2.334 178.401 176.094 -0.044 0.000 1.055 157 V CA 2.051 64.220 62.300 -0.219 0.000 1.038 157 V CB -0.922 30.497 31.823 -0.672 0.000 0.651 157 V HN 0.459 nan 8.190 nan 0.000 0.450 158 G N -1.004 107.760 108.800 -0.059 0.000 2.471 158 G HA2 -0.222 3.738 3.960 0.001 0.000 0.219 158 G HA3 -0.222 3.738 3.960 0.001 0.000 0.219 158 G C 1.592 176.503 174.900 0.019 0.000 1.125 158 G CA 0.807 45.895 45.100 -0.020 0.000 0.775 158 G HN 0.491 nan 8.290 nan 0.000 0.548 159 K N 0.249 120.667 120.400 0.031 0.000 1.975 159 K HA 0.082 4.402 4.320 0.001 0.000 0.210 159 K C 2.487 179.129 176.600 0.071 0.000 1.041 159 K CA 0.582 56.896 56.287 0.045 0.000 0.942 159 K CB -0.401 32.125 32.500 0.043 0.000 0.729 159 K HN 0.258 nan 8.250 nan 0.000 0.439 160 L N 1.549 122.835 121.223 0.106 0.000 2.051 160 L HA -0.265 4.076 4.340 0.001 0.000 0.214 160 L C 2.562 179.483 176.870 0.084 0.000 1.076 160 L CA 1.078 55.981 54.840 0.105 0.000 0.758 160 L CB -0.725 41.422 42.059 0.146 0.000 0.890 160 L HN 0.330 nan 8.230 nan 0.000 0.433 161 I N 0.251 120.892 120.570 0.118 0.000 2.264 161 I HA -0.258 3.913 4.170 0.001 0.000 0.248 161 I C 2.838 178.985 176.117 0.050 0.000 1.111 161 I CA 1.693 63.041 61.300 0.080 0.000 1.382 161 I CB -1.442 36.610 38.000 0.086 0.000 1.060 161 I HN 0.220 nan 8.210 nan 0.000 0.418 162 A N 0.629 123.480 122.820 0.052 0.000 1.872 162 A HA -0.175 4.145 4.320 0.001 0.000 0.214 162 A C 2.029 179.651 177.584 0.064 0.000 1.187 162 A CA 1.593 53.658 52.037 0.046 0.000 0.614 162 A CB -0.552 18.469 19.000 0.036 0.000 0.826 162 A HN 0.312 nan 8.150 nan 0.000 0.442 163 D N 0.375 120.821 120.400 0.078 0.000 2.108 163 D HA -0.153 4.487 4.640 0.001 0.000 0.190 163 D C 2.315 178.722 176.300 0.179 0.000 0.995 163 D CA 1.899 55.971 54.000 0.120 0.000 0.834 163 D CB -0.700 40.178 40.800 0.130 0.000 0.967 163 D HN 0.384 nan 8.370 nan 0.000 0.446 164 A N 0.962 123.853 122.820 0.119 0.000 1.859 164 A HA -0.254 4.066 4.320 0.001 0.000 0.217 164 A C 2.244 179.893 177.584 0.108 0.000 1.198 164 A CA 2.682 54.752 52.037 0.054 0.000 0.629 164 A CB -0.867 18.036 19.000 -0.162 0.000 0.830 164 A HN 0.238 nan 8.150 nan 0.000 0.446 165 M N 0.069 119.702 119.600 0.055 0.000 2.116 165 M HA -0.248 4.233 4.480 0.001 0.000 0.255 165 M C 1.908 178.251 176.300 0.073 0.000 1.075 165 M CA 2.619 57.949 55.300 0.050 0.000 1.087 165 M CB -0.508 32.112 32.600 0.034 0.000 1.340 165 M HN 0.652 nan 8.290 nan 0.000 0.402 166 E N 0.004 120.255 120.200 0.085 0.000 2.031 166 E HA -0.219 4.132 4.350 0.001 0.000 0.193 166 E C 0.785 177.437 176.600 0.085 0.000 0.994 166 E CA 1.363 57.806 56.400 0.072 0.000 0.800 166 E CB -0.115 29.622 29.700 0.063 0.000 0.752 166 E HN 0.537 nan 8.360 nan 0.000 0.447 167 K N 0.022 120.510 120.400 0.147 0.000 2.790 167 K HA 0.096 4.417 4.320 0.001 0.000 0.229 167 K C -0.053 176.679 176.600 0.221 0.000 1.040 167 K CA -0.144 56.216 56.287 0.123 0.000 1.211 167 K CB 0.845 33.337 32.500 -0.013 0.000 1.002 167 K HN 0.023 nan 8.250 nan 0.000 0.479 168 V N -1.144 118.866 119.914 0.161 0.000 3.777 168 V HA 0.141 4.262 4.120 0.001 0.000 0.285 168 V C 0.407 176.542 176.094 0.069 0.000 1.668 168 V CA -0.084 62.296 62.300 0.133 0.000 1.178 168 V CB 0.534 32.439 31.823 0.137 0.000 0.962 168 V HN 0.551 nan 8.190 nan 0.000 0.411 169 G N 2.478 111.313 108.800 0.057 0.000 2.825 169 G HA2 -0.260 3.700 3.960 0.001 0.000 0.684 169 G HA3 -0.260 3.700 3.960 0.001 0.000 0.684 169 G C 0.514 175.431 174.900 0.029 0.000 1.528 169 G CA 0.320 45.441 45.100 0.035 0.000 0.963 169 G HN 0.671 nan 8.290 nan 0.000 0.577 170 K N -0.348 120.064 120.400 0.021 0.000 2.360 170 K HA -0.019 4.302 4.320 0.001 0.000 0.201 170 K C 1.448 178.055 176.600 0.011 0.000 1.046 170 K CA 1.994 58.290 56.287 0.015 0.000 0.945 170 K CB 0.142 32.649 32.500 0.011 0.000 0.750 170 K HN 0.623 nan 8.250 nan 0.000 0.464 171 E N 1.220 121.427 120.200 0.013 0.000 2.465 171 E HA 0.074 4.425 4.350 0.001 0.000 0.191 171 E C 0.843 177.449 176.600 0.010 0.000 1.053 171 E CA -0.236 56.170 56.400 0.010 0.000 0.869 171 E CB 0.574 30.280 29.700 0.010 0.000 0.977 171 E HN 0.482 nan 8.360 nan 0.000 0.483 172 G N 1.088 109.897 108.800 0.015 0.000 2.525 172 G HA2 0.356 4.316 3.960 0.001 0.000 0.276 172 G HA3 0.356 4.316 3.960 0.001 0.000 0.276 172 G C -0.181 174.719 174.900 -0.000 0.000 1.388 172 G CA -0.385 44.724 45.100 0.015 0.000 1.050 172 G HN 0.084 nan 8.290 nan 0.000 0.520 173 I N 0.042 120.607 120.570 -0.009 0.000 2.548 173 I HA 0.325 4.495 4.170 0.001 0.000 0.287 173 I C -0.765 175.318 176.117 -0.056 0.000 1.103 173 I CA -0.385 60.897 61.300 -0.030 0.000 1.049 173 I CB 1.962 39.942 38.000 -0.033 0.000 1.232 173 I HN 0.210 nan 8.210 nan 0.000 0.429 174 I N 5.024 125.556 120.570 -0.064 0.000 2.562 174 I HA 0.548 4.719 4.170 0.001 0.000 0.301 174 I C -0.311 175.748 176.117 -0.097 0.000 1.003 174 I CA -0.478 60.763 61.300 -0.098 0.000 1.127 174 I CB 2.290 40.238 38.000 -0.086 0.000 1.304 174 I HN 0.395 nan 8.210 nan 0.000 0.446 175 T N 3.782 118.259 114.554 -0.128 0.000 2.909 175 T HA 0.459 4.809 4.350 0.001 0.000 0.299 175 T C -0.721 173.891 174.700 -0.148 0.000 1.073 175 T CA -0.448 61.583 62.100 -0.116 0.000 0.999 175 T CB 2.440 71.243 68.868 -0.108 0.000 1.098 175 T HN 0.204 nan 8.240 nan 0.000 0.477 176 V N 3.026 122.866 119.914 -0.123 0.000 2.370 176 V HA 0.537 4.658 4.120 0.001 0.000 0.283 176 V C -0.026 175.998 176.094 -0.116 0.000 1.023 176 V CA -0.573 61.635 62.300 -0.152 0.000 0.857 176 V CB 1.387 33.148 31.823 -0.103 0.000 0.985 176 V HN 0.839 nan 8.190 nan 0.000 0.443 177 E N 2.169 122.285 120.200 -0.140 0.000 2.359 177 E HA 0.408 4.759 4.350 0.001 0.000 0.266 177 E C -0.914 175.633 176.600 -0.088 0.000 0.920 177 E CA -0.872 55.470 56.400 -0.096 0.000 0.788 177 E CB 2.558 32.202 29.700 -0.094 0.000 1.279 177 E HN 0.714 nan 8.360 nan 0.000 0.438 178 E N 1.543 121.711 120.200 -0.054 0.000 1.893 178 E HA 0.096 4.447 4.350 0.001 0.000 0.269 178 E C -0.239 176.337 176.600 -0.039 0.000 1.129 178 E CA -0.172 56.206 56.400 -0.036 0.000 0.904 178 E CB 0.511 30.201 29.700 -0.016 0.000 1.077 178 E HN 0.392 nan 8.360 nan 0.000 0.407 179 S N 3.451 119.122 115.700 -0.049 0.000 2.687 179 S HA -0.007 4.464 4.470 0.001 0.000 0.248 179 S C 0.968 175.553 174.600 -0.025 0.000 1.390 179 S CA 0.190 58.364 58.200 -0.043 0.000 0.963 179 S CB 0.566 63.738 63.200 -0.046 0.000 0.957 179 S HN 0.505 nan 8.310 nan 0.000 0.584 180 K N 0.014 120.402 120.400 -0.021 0.000 2.435 180 K HA 0.197 4.517 4.320 0.001 0.000 0.199 180 K C 0.915 177.510 176.600 -0.008 0.000 1.153 180 K CA 0.379 56.658 56.287 -0.013 0.000 0.974 180 K CB -0.168 32.324 32.500 -0.015 0.000 0.997 180 K HN 0.705 nan 8.250 nan 0.000 0.547 181 S N 0.284 115.978 115.700 -0.009 0.000 2.655 181 S HA 0.282 4.752 4.470 0.001 0.000 0.265 181 S C 1.427 176.028 174.600 0.002 0.000 1.240 181 S CA -0.575 57.623 58.200 -0.004 0.000 0.986 181 S CB 0.656 63.853 63.200 -0.004 0.000 0.985 181 S HN 0.061 nan 8.310 nan 0.000 0.562 182 L N -0.316 120.910 121.223 0.006 0.000 2.376 182 L HA 0.180 4.521 4.340 0.001 0.000 0.219 182 L C 1.368 178.248 176.870 0.017 0.000 1.133 182 L CA 0.883 55.730 54.840 0.012 0.000 0.816 182 L CB -0.410 41.656 42.059 0.011 0.000 0.933 182 L HN 0.767 nan 8.230 nan 0.000 0.449 183 E N -0.304 119.903 120.200 0.012 0.000 2.214 183 E HA 0.214 4.564 4.350 0.001 0.000 0.274 183 E C -0.673 175.932 176.600 0.008 0.000 0.977 183 E CA -0.497 55.913 56.400 0.016 0.000 0.827 183 E CB 1.450 31.158 29.700 0.014 0.000 1.130 183 E HN -0.117 nan 8.360 nan 0.000 0.394 184 T N 3.196 117.761 114.554 0.018 0.000 2.889 184 T HA 0.276 4.626 4.350 0.001 0.000 0.291 184 T C -0.695 173.988 174.700 -0.030 0.000 0.995 184 T CA -0.404 61.689 62.100 -0.012 0.000 1.092 184 T CB 0.840 69.730 68.868 0.038 0.000 0.954 184 T HN 0.405 nan 8.240 nan 0.000 0.506 185 E N 1.301 121.457 120.200 -0.075 0.000 2.293 185 E HA 0.480 4.830 4.350 0.001 0.000 0.270 185 E C -1.352 175.181 176.600 -0.112 0.000 0.879 185 E CA -0.987 55.374 56.400 -0.064 0.000 0.756 185 E CB 2.154 31.826 29.700 -0.046 0.000 1.208 185 E HN 0.248 nan 8.360 nan 0.000 0.428 186 L N 2.523 123.695 121.223 -0.085 0.000 2.282 186 L HA 0.467 4.808 4.340 0.001 0.000 0.288 186 L C -1.260 175.544 176.870 -0.111 0.000 1.033 186 L CA -0.053 54.699 54.840 -0.146 0.000 0.807 186 L CB 0.400 42.398 42.059 -0.102 0.000 1.209 186 L HN 0.429 nan 8.230 nan 0.000 0.423 187 K N 4.908 125.179 120.400 -0.216 0.000 2.464 187 K HA 0.532 4.853 4.320 0.001 0.000 0.253 187 K C -1.508 174.964 176.600 -0.213 0.000 0.933 187 K CA -0.497 55.740 56.287 -0.083 0.000 0.801 187 K CB 1.985 34.462 32.500 -0.039 0.000 1.271 187 K HN 0.290 nan 8.250 nan 0.000 0.430 188 F N 0.668 120.597 119.950 -0.035 0.000 2.432 188 F HA 0.493 5.021 4.527 0.001 0.000 0.329 188 F C 0.369 176.150 175.800 -0.033 0.000 1.076 188 F CA -0.944 57.036 58.000 -0.033 0.000 1.018 188 F CB 1.176 40.161 39.000 -0.025 0.000 1.201 188 F HN 0.035 nan 8.300 nan 0.000 0.489 189 V N 1.665 121.662 119.914 0.139 0.000 2.881 189 V HA 0.311 4.432 4.120 0.001 0.000 0.316 189 V C 0.441 176.576 176.094 0.069 0.000 1.070 189 V CA -0.559 61.779 62.300 0.064 0.000 0.976 189 V CB 1.978 33.805 31.823 0.007 0.000 1.038 189 V HN 0.709 nan 8.190 nan 0.000 0.446 190 E N 1.768 121.993 120.200 0.041 0.000 2.025 190 E HA 0.195 4.545 4.350 0.001 0.000 0.198 190 E C 0.757 177.381 176.600 0.040 0.000 0.955 190 E CA 1.120 57.542 56.400 0.036 0.000 0.862 190 E CB -0.296 29.418 29.700 0.023 0.000 0.837 190 E HN 0.816 nan 8.360 nan 0.000 0.488 191 G N -0.962 107.866 108.800 0.046 0.000 3.122 191 G HA2 0.249 4.210 3.960 0.001 0.000 0.180 191 G HA3 0.249 4.210 3.960 0.001 0.000 0.180 191 G C -1.193 173.772 174.900 0.108 0.000 1.279 191 G CA -0.652 44.495 45.100 0.078 0.000 0.987 191 G HN 0.263 nan 8.290 nan 0.000 0.589 192 Y N 1.901 122.221 120.300 0.034 0.000 2.605 192 Y HA 0.360 4.911 4.550 0.001 0.000 0.336 192 Y C 0.707 176.653 175.900 0.076 0.000 1.111 192 Y CA -0.232 57.906 58.100 0.064 0.000 1.422 192 Y CB 0.132 38.642 38.460 0.082 0.000 1.193 192 Y HN 0.526 nan 8.280 nan 0.000 0.526 193 Q N 6.294 126.121 119.800 0.044 0.000 2.433 193 Q HA 0.697 5.037 4.340 0.001 0.000 0.279 193 Q C -1.858 174.201 176.000 0.098 0.000 1.105 193 Q CA -1.057 54.783 55.803 0.062 0.000 0.815 193 Q CB 2.592 31.299 28.738 -0.051 0.000 1.403 193 Q HN 0.617 nan 8.270 nan 0.000 0.435 194 F N -1.651 118.333 119.950 0.056 0.000 2.615 194 F HA 0.390 4.917 4.527 0.001 0.000 0.312 194 F C -1.148 174.667 175.800 0.025 0.000 1.119 194 F CA -1.242 56.780 58.000 0.038 0.000 0.979 194 F CB 1.355 40.437 39.000 0.137 0.000 1.266 194 F HN 0.449 nan 8.300 nan 0.000 0.444 195 D N 3.889 124.387 120.400 0.163 0.000 2.662 195 D HA 0.087 4.728 4.640 0.001 0.000 0.228 195 D C -0.351 176.022 176.300 0.122 0.000 1.090 195 D CA 0.645 54.686 54.000 0.068 0.000 1.118 195 D CB 0.058 40.887 40.800 0.048 0.000 1.129 195 D HN 0.289 nan 8.370 nan 0.000 0.472 196 K N 0.426 120.884 120.400 0.096 0.000 2.550 196 K HA 0.496 4.816 4.320 0.001 0.000 0.252 196 K C -0.019 176.575 176.600 -0.010 0.000 0.943 196 K CA -0.617 55.761 56.287 0.152 0.000 0.806 196 K CB 2.719 35.494 32.500 0.459 0.000 1.289 196 K HN 0.265 nan 8.250 nan 0.000 0.435 197 G N 0.804 109.582 108.800 -0.037 0.000 3.075 197 G HA2 0.479 4.439 3.960 0.001 0.000 0.253 197 G HA3 0.479 4.439 3.960 0.001 0.000 0.253 197 G C -0.866 174.045 174.900 0.018 0.000 1.353 197 G CA -0.619 44.403 45.100 -0.131 0.000 1.051 197 G HN 0.438 nan 8.290 nan 0.000 0.553 198 Y N -0.596 119.775 120.300 0.118 0.000 2.712 198 Y HA 0.295 4.846 4.550 0.001 0.000 0.333 198 Y C 1.300 177.297 175.900 0.161 0.000 1.225 198 Y CA -1.011 57.216 58.100 0.212 0.000 1.499 198 Y CB 0.093 38.725 38.460 0.287 0.000 1.288 198 Y HN 0.255 nan 8.280 nan 0.000 0.575 199 I N 1.277 122.100 120.570 0.422 0.000 3.001 199 I HA -0.072 4.099 4.170 0.001 0.000 0.268 199 I C 0.776 176.977 176.117 0.140 0.000 1.267 199 I CA 1.115 62.565 61.300 0.250 0.000 1.472 199 I CB -0.159 37.984 38.000 0.239 0.000 1.089 199 I HN 0.637 nan 8.210 nan 0.000 0.468 200 S N -0.457 115.270 115.700 0.045 0.000 2.543 200 S HA 0.290 4.761 4.470 0.001 0.000 0.273 200 S C -2.007 172.328 174.600 -0.440 0.000 1.152 200 S CA -1.077 57.015 58.200 -0.181 0.000 0.910 200 S CB 1.639 64.642 63.200 -0.329 0.000 1.105 200 S HN -0.203 nan 8.310 nan 0.000 0.465 201 P HA -0.164 nan 4.420 nan 0.000 0.216 201 P C 0.956 177.860 177.300 -0.661 0.000 1.150 201 P CA 1.470 64.162 63.100 -0.679 0.000 0.843 201 P CB -0.240 31.215 31.700 -0.408 0.000 0.787 202 Y N -0.751 119.276 120.300 -0.455 0.000 2.332 202 Y HA -0.176 4.375 4.550 0.001 0.000 0.283 202 Y C 2.381 178.183 175.900 -0.163 0.000 1.186 202 Y CA 1.036 58.954 58.100 -0.303 0.000 1.266 202 Y CB -1.762 36.521 38.460 -0.295 0.000 0.973 202 Y HN -0.044 nan 8.280 nan 0.000 0.548 203 F N -0.241 119.622 119.950 -0.146 0.000 2.699 203 F HA -0.025 4.503 4.527 0.001 0.000 0.298 203 F C 1.087 176.787 175.800 -0.167 0.000 1.154 203 F CA -0.576 57.345 58.000 -0.132 0.000 1.457 203 F CB -0.295 38.638 39.000 -0.111 0.000 1.106 203 F HN -0.180 nan 8.300 nan 0.000 0.585 204 V N -1.368 118.477 119.914 -0.115 0.000 2.788 204 V HA -0.049 4.072 4.120 0.001 0.000 0.307 204 V C 0.678 176.780 176.094 0.013 0.000 1.069 204 V CA 0.310 62.569 62.300 -0.069 0.000 1.173 204 V CB 0.794 32.546 31.823 -0.119 0.000 0.925 204 V HN 0.129 nan 8.190 nan 0.000 0.492 205 T N 2.059 116.633 114.554 0.034 0.000 3.000 205 T HA 0.149 4.500 4.350 0.001 0.000 0.248 205 T C 0.686 175.399 174.700 0.023 0.000 1.034 205 T CA 0.366 62.485 62.100 0.032 0.000 1.060 205 T CB -0.145 68.745 68.868 0.036 0.000 0.983 205 T HN 0.780 nan 8.240 nan 0.000 0.482 206 N N 1.306 120.022 118.700 0.026 0.000 2.342 206 N HA 0.282 5.022 4.740 0.001 0.000 0.293 206 N C -2.120 173.398 175.510 0.013 0.000 1.026 206 N CA -2.068 50.994 53.050 0.020 0.000 0.857 206 N CB 2.949 41.452 38.487 0.027 0.000 1.256 206 N HN -0.077 nan 8.380 nan 0.000 0.484 207 P HA -0.025 nan 4.420 nan 0.000 0.212 207 P C 0.583 177.883 177.300 0.001 0.000 1.179 207 P CA 1.258 64.354 63.100 -0.007 0.000 0.898 207 P CB 0.714 32.408 31.700 -0.010 0.000 0.775 208 E N -0.175 120.027 120.200 0.003 0.000 2.070 208 E HA -0.127 4.223 4.350 0.001 0.000 0.197 208 E C 1.979 178.587 176.600 0.013 0.000 1.004 208 E CA 1.957 58.360 56.400 0.005 0.000 0.805 208 E CB -0.862 28.841 29.700 0.004 0.000 0.744 208 E HN 0.302 nan 8.360 nan 0.000 0.451 209 T N 0.838 115.404 114.554 0.020 0.000 3.055 209 T HA -0.024 4.327 4.350 0.001 0.000 0.265 209 T C 0.824 175.555 174.700 0.053 0.000 1.111 209 T CA 0.502 62.619 62.100 0.029 0.000 1.118 209 T CB 0.052 68.937 68.868 0.028 0.000 0.909 209 T HN 0.145 nan 8.240 nan 0.000 0.501 210 M N 0.587 120.224 119.600 0.061 0.000 2.576 210 M HA -0.176 4.305 4.480 0.001 0.000 0.200 210 M C -0.134 176.301 176.300 0.225 0.000 0.487 210 M CA 0.889 56.257 55.300 0.113 0.000 0.553 210 M CB -2.167 30.504 32.600 0.119 0.000 2.042 210 M HN 0.468 nan 8.290 nan 0.000 0.758 211 E N -0.092 120.205 120.200 0.162 0.000 2.518 211 E HA 0.809 5.159 4.350 0.001 0.000 0.248 211 E C 0.083 176.791 176.600 0.180 0.000 1.028 211 E CA -0.416 56.105 56.400 0.201 0.000 0.922 211 E CB 1.512 31.270 29.700 0.098 0.000 1.299 211 E HN 0.341 nan 8.360 nan 0.000 0.457 212 A N 1.141 124.061 122.820 0.165 0.000 2.876 212 A HA 0.372 4.693 4.320 0.001 0.000 0.309 212 A C -0.927 176.700 177.584 0.072 0.000 1.168 212 A CA -0.517 51.592 52.037 0.121 0.000 0.762 212 A CB 0.258 19.364 19.000 0.176 0.000 1.262 212 A HN 0.214 nan 8.150 nan 0.000 0.435 213 V N 2.346 122.287 119.914 0.045 0.000 2.649 213 V HA 0.433 4.553 4.120 0.001 0.000 0.292 213 V C 0.056 176.158 176.094 0.014 0.000 1.055 213 V CA -0.006 62.308 62.300 0.023 0.000 1.023 213 V CB 1.225 33.057 31.823 0.015 0.000 0.992 213 V HN 0.671 nan 8.190 nan 0.000 0.480 214 L N 4.139 125.362 121.223 0.000 0.000 2.529 214 L HA 0.393 4.734 4.340 0.001 0.000 0.258 214 L C -0.148 176.706 176.870 -0.026 0.000 1.032 214 L CA -0.559 54.275 54.840 -0.010 0.000 0.899 214 L CB 1.347 43.399 42.059 -0.013 0.000 1.174 214 L HN 0.573 nan 8.230 nan 0.000 0.458 215 E N 2.059 122.244 120.200 -0.025 0.000 2.465 215 E HA -0.093 4.257 4.350 0.001 0.000 0.260 215 E C 0.200 176.758 176.600 -0.069 0.000 0.980 215 E CA 0.198 56.575 56.400 -0.039 0.000 0.927 215 E CB 0.563 30.246 29.700 -0.029 0.000 0.934 215 E HN 0.480 nan 8.360 nan 0.000 0.459 216 D N 1.072 121.415 120.400 -0.095 0.000 2.810 216 D HA -0.220 4.421 4.640 0.001 0.000 0.224 216 D C -0.908 175.247 176.300 -0.241 0.000 1.222 216 D CA 0.932 54.834 54.000 -0.164 0.000 0.698 216 D CB -0.670 40.037 40.800 -0.155 0.000 0.961 216 D HN 0.524 nan 8.370 nan 0.000 0.403 217 A N 1.256 123.957 122.820 -0.198 0.000 2.264 217 A HA 0.671 4.991 4.320 0.001 0.000 0.304 217 A C 0.018 177.431 177.584 -0.284 0.000 1.100 217 A CA -0.524 51.407 52.037 -0.177 0.000 0.839 217 A CB 0.552 19.518 19.000 -0.057 0.000 1.121 217 A HN 0.219 nan 8.150 nan 0.000 0.496 218 F N -0.516 119.415 119.950 -0.032 0.000 2.399 218 F HA 0.581 5.109 4.527 0.001 0.000 0.328 218 F C 0.245 176.020 175.800 -0.041 0.000 1.084 218 F CA -0.070 57.908 58.000 -0.036 0.000 1.053 218 F CB 1.509 40.487 39.000 -0.036 0.000 1.209 218 F HN 0.237 nan 8.300 nan 0.000 0.502 219 I N 3.928 124.585 120.570 0.144 0.000 2.448 219 I HA 0.212 4.382 4.170 0.001 0.000 0.281 219 I C -1.085 175.050 176.117 0.030 0.000 1.027 219 I CA -0.717 60.617 61.300 0.056 0.000 1.111 219 I CB 1.497 39.502 38.000 0.008 0.000 1.236 219 I HN 0.295 nan 8.210 nan 0.000 0.452 220 L N 8.091 129.323 121.223 0.016 0.000 2.395 220 L HA 0.497 4.838 4.340 0.001 0.000 0.269 220 L C -0.411 176.441 176.870 -0.030 0.000 1.133 220 L CA 0.342 55.172 54.840 -0.016 0.000 0.812 220 L CB 0.783 42.832 42.059 -0.016 0.000 1.125 220 L HN 0.439 nan 8.230 nan 0.000 0.452 221 I N 5.714 126.251 120.570 -0.054 0.000 2.714 221 I HA 0.217 4.388 4.170 0.001 0.000 0.276 221 I C -0.876 175.208 176.117 -0.056 0.000 1.196 221 I CA -0.484 60.780 61.300 -0.060 0.000 1.068 221 I CB 1.182 39.131 38.000 -0.085 0.000 1.291 221 I HN 0.203 nan 8.210 nan 0.000 0.530 222 V N 3.971 123.865 119.914 -0.032 0.000 2.546 222 V HA 0.131 4.252 4.120 0.001 0.000 0.284 222 V C 1.298 177.383 176.094 -0.015 0.000 1.050 222 V CA -0.036 62.254 62.300 -0.017 0.000 0.981 222 V CB 1.935 33.758 31.823 -0.000 0.000 0.990 222 V HN 0.739 nan 8.190 nan 0.000 0.474 223 E N 2.654 122.849 120.200 -0.009 0.000 2.140 223 E HA -0.017 4.334 4.350 0.001 0.000 0.191 223 E C 0.424 177.027 176.600 0.005 0.000 0.973 223 E CA 0.450 56.845 56.400 -0.008 0.000 0.829 223 E CB 0.378 30.075 29.700 -0.005 0.000 0.781 223 E HN 0.658 nan 8.360 nan 0.000 0.466 224 K N 1.042 121.449 120.400 0.012 0.000 2.127 224 K HA 0.196 4.517 4.320 0.001 0.000 0.240 224 K C -0.078 176.536 176.600 0.024 0.000 1.024 224 K CA -0.467 55.831 56.287 0.019 0.000 0.918 224 K CB 0.627 33.139 32.500 0.021 0.000 1.108 224 K HN -0.139 nan 8.250 nan 0.000 0.485 225 K N 0.063 120.480 120.400 0.029 0.000 2.180 225 K HA 0.255 4.575 4.320 0.001 0.000 0.251 225 K C -1.017 175.602 176.600 0.032 0.000 1.014 225 K CA -0.369 55.939 56.287 0.035 0.000 0.913 225 K CB 0.483 33.005 32.500 0.037 0.000 1.008 225 K HN 0.250 nan 8.250 nan 0.000 0.490 226 V N 2.926 122.862 119.914 0.037 0.000 2.445 226 V HA 0.106 4.227 4.120 0.001 0.000 0.283 226 V C 0.119 176.235 176.094 0.037 0.000 1.014 226 V CA -0.422 61.898 62.300 0.034 0.000 0.852 226 V CB 1.094 32.937 31.823 0.033 0.000 1.021 226 V HN 0.974 nan 8.190 nan 0.000 0.435 227 S N 1.691 117.410 115.700 0.031 0.000 2.628 227 S HA 0.151 4.622 4.470 0.001 0.000 0.246 227 S C 0.598 175.212 174.600 0.023 0.000 1.062 227 S CA -0.168 58.049 58.200 0.030 0.000 1.028 227 S CB 0.173 63.389 63.200 0.027 0.000 0.985 227 S HN 0.578 nan 8.310 nan 0.000 0.551 228 N N 2.295 121.007 118.700 0.020 0.000 2.411 228 N HA 0.203 4.943 4.740 0.001 0.000 0.259 228 N C 1.107 176.626 175.510 0.015 0.000 1.103 228 N CA 0.091 53.151 53.050 0.016 0.000 0.954 228 N CB 1.563 40.059 38.487 0.014 0.000 1.085 228 N HN 0.069 nan 8.380 nan 0.000 0.485 229 V N 5.816 125.738 119.914 0.012 0.000 2.261 229 V HA -0.236 3.884 4.120 0.001 0.000 0.246 229 V C 2.360 178.459 176.094 0.007 0.000 1.047 229 V CA 1.530 63.837 62.300 0.011 0.000 1.015 229 V CB -0.502 31.326 31.823 0.008 0.000 0.642 229 V HN 0.689 nan 8.190 nan 0.000 0.446 230 R N 0.354 120.858 120.500 0.006 0.000 2.159 230 R HA -0.295 4.046 4.340 0.001 0.000 0.249 230 R C 2.259 178.562 176.300 0.005 0.000 1.136 230 R CA 2.416 58.518 56.100 0.004 0.000 0.951 230 R CB -0.644 29.659 30.300 0.004 0.000 0.876 230 R HN 0.653 nan 8.270 nan 0.000 0.440 231 E N 0.465 120.670 120.200 0.008 0.000 2.171 231 E HA -0.216 4.135 4.350 0.001 0.000 0.197 231 E C 2.115 178.719 176.600 0.007 0.000 0.997 231 E CA 1.134 57.540 56.400 0.010 0.000 0.810 231 E CB -0.168 29.541 29.700 0.014 0.000 0.738 231 E HN 0.383 nan 8.360 nan 0.000 0.467 232 L N 0.402 121.628 121.223 0.005 0.000 2.049 232 L HA -0.133 4.208 4.340 0.001 0.000 0.203 232 L C 2.430 179.296 176.870 -0.008 0.000 1.074 232 L CA 0.512 55.352 54.840 -0.000 0.000 0.749 232 L CB -0.380 41.681 42.059 0.004 0.000 0.907 232 L HN 0.160 nan 8.230 nan 0.000 0.439 233 L N -0.056 121.163 121.223 -0.006 0.000 2.077 233 L HA -0.311 4.029 4.340 0.001 0.000 0.231 233 L C -0.269 176.591 176.870 -0.017 0.000 1.100 233 L CA 2.127 56.961 54.840 -0.010 0.000 0.819 233 L CB -2.522 39.533 42.059 -0.006 0.000 0.913 233 L HN 0.272 nan 8.230 nan 0.000 0.446 234 P HA -0.225 nan 4.420 nan 0.000 0.214 234 P C 1.730 179.008 177.300 -0.038 0.000 1.169 234 P CA 2.088 65.175 63.100 -0.022 0.000 0.908 234 P CB -0.205 31.486 31.700 -0.014 0.000 0.791 235 I N -1.607 118.938 120.570 -0.041 0.000 2.315 235 I HA -0.180 3.991 4.170 0.001 0.000 0.248 235 I C 2.724 178.794 176.117 -0.078 0.000 1.117 235 I CA 1.137 62.395 61.300 -0.069 0.000 1.404 235 I CB -1.091 36.869 38.000 -0.066 0.000 1.071 235 I HN -0.174 nan 8.210 nan 0.000 0.419 236 L N 0.727 121.919 121.223 -0.051 0.000 2.127 236 L HA -0.199 4.141 4.340 0.001 0.000 0.211 236 L C 2.621 179.463 176.870 -0.047 0.000 1.089 236 L CA 1.519 56.333 54.840 -0.044 0.000 0.757 236 L CB -0.491 41.553 42.059 -0.024 0.000 0.899 236 L HN 0.341 nan 8.230 nan 0.000 0.434 237 E N -0.505 119.667 120.200 -0.046 0.000 2.030 237 E HA -0.181 4.169 4.350 0.001 0.000 0.189 237 E C 2.104 178.665 176.600 -0.064 0.000 0.974 237 E CA 0.607 56.981 56.400 -0.043 0.000 0.807 237 E CB -0.149 29.532 29.700 -0.033 0.000 0.771 237 E HN 0.488 nan 8.360 nan 0.000 0.451 238 Q N 0.542 120.295 119.800 -0.079 0.000 2.182 238 Q HA -0.229 4.111 4.340 0.001 0.000 0.213 238 Q C 2.289 178.194 176.000 -0.159 0.000 1.000 238 Q CA 2.036 57.773 55.803 -0.110 0.000 0.889 238 Q CB -0.288 28.373 28.738 -0.128 0.000 0.932 238 Q HN 0.161 nan 8.270 nan 0.000 0.415 239 V N 0.072 119.878 119.914 -0.180 0.000 2.379 239 V HA -0.112 4.009 4.120 0.001 0.000 0.243 239 V C 2.238 178.281 176.094 -0.085 0.000 1.035 239 V CA 1.283 63.454 62.300 -0.215 0.000 1.035 239 V CB -1.015 30.679 31.823 -0.216 0.000 0.673 239 V HN 0.389 nan 8.190 nan 0.000 0.457 240 A N -0.157 122.630 122.820 -0.055 0.000 1.927 240 A HA -0.354 3.967 4.320 0.001 0.000 0.220 240 A C 2.166 179.743 177.584 -0.013 0.000 1.185 240 A CA 2.409 54.434 52.037 -0.021 0.000 0.639 240 A CB -0.596 18.393 19.000 -0.019 0.000 0.820 240 A HN 0.641 nan 8.150 nan 0.000 0.451 241 Q N -1.280 118.504 119.800 -0.026 0.000 2.224 241 Q HA -0.075 4.266 4.340 0.001 0.000 0.203 241 Q C 1.663 177.659 176.000 -0.006 0.000 0.970 241 Q CA 1.541 57.334 55.803 -0.016 0.000 0.865 241 Q CB -0.178 28.546 28.738 -0.025 0.000 0.922 241 Q HN 0.669 nan 8.270 nan 0.000 0.445 242 T N -0.517 114.029 114.554 -0.013 0.000 3.118 242 T HA 0.059 4.410 4.350 0.001 0.000 0.260 242 T C 1.107 175.854 174.700 0.078 0.000 1.139 242 T CA 0.627 62.745 62.100 0.030 0.000 1.085 242 T CB -0.083 68.791 68.868 0.009 0.000 0.934 242 T HN 0.570 nan 8.240 nan 0.000 0.518 243 G N 2.441 111.273 108.800 0.054 0.000 2.321 243 G HA2 -0.293 3.667 3.960 0.001 0.000 0.287 243 G HA3 -0.293 3.667 3.960 0.001 0.000 0.287 243 G C -0.068 174.883 174.900 0.086 0.000 1.018 243 G CA 0.344 45.479 45.100 0.058 0.000 0.855 243 G HN 0.473 nan 8.290 nan 0.000 0.507 244 K N -0.239 120.250 120.400 0.147 0.000 2.267 244 K HA 0.479 4.800 4.320 0.001 0.000 0.246 244 K C -2.691 174.001 176.600 0.154 0.000 0.954 244 K CA -2.221 54.169 56.287 0.172 0.000 0.824 244 K CB 2.063 34.764 32.500 0.334 0.000 1.167 244 K HN -0.087 nan 8.250 nan 0.000 0.431 245 P HA 0.074 nan 4.420 nan 0.000 0.271 245 P C -1.200 176.152 177.300 0.087 0.000 1.216 245 P CA -0.361 62.769 63.100 0.050 0.000 0.776 245 P CB 0.469 32.172 31.700 0.005 0.000 0.881 246 L N 4.238 125.486 121.223 0.042 0.000 2.362 246 L HA 0.586 4.926 4.340 0.001 0.000 0.275 246 L C -1.538 175.315 176.870 -0.028 0.000 0.998 246 L CA -0.791 54.077 54.840 0.047 0.000 0.820 246 L CB 1.609 43.684 42.059 0.026 0.000 1.270 246 L HN 0.117 nan 8.230 nan 0.000 0.415 247 L N 6.562 127.785 121.223 -0.001 0.000 2.294 247 L HA 0.589 4.929 4.340 0.001 0.000 0.283 247 L C -1.062 175.805 176.870 -0.005 0.000 1.015 247 L CA -0.047 54.782 54.840 -0.020 0.000 0.831 247 L CB 1.004 43.068 42.059 0.007 0.000 1.217 247 L HN 0.552 nan 8.230 nan 0.000 0.420 248 I N 6.727 127.281 120.570 -0.027 0.000 2.312 248 I HA 0.315 4.485 4.170 0.001 0.000 0.290 248 I C -0.340 175.799 176.117 0.036 0.000 1.008 248 I CA -0.166 61.132 61.300 -0.004 0.000 1.226 248 I CB 0.994 38.981 38.000 -0.021 0.000 1.371 248 I HN 0.525 nan 8.210 nan 0.000 0.468 249 I N 7.019 127.610 120.570 0.034 0.000 2.442 249 I HA 0.465 4.636 4.170 0.001 0.000 0.279 249 I C 0.231 176.352 176.117 0.008 0.000 1.081 249 I CA -0.096 61.231 61.300 0.045 0.000 1.197 249 I CB 0.668 38.683 38.000 0.024 0.000 1.394 249 I HN 0.554 nan 8.210 nan 0.000 0.488 250 A N 3.805 126.642 122.820 0.028 0.000 2.384 250 A HA 0.401 4.721 4.320 0.001 0.000 0.312 250 A C 1.131 178.733 177.584 0.030 0.000 1.113 250 A CA -0.500 51.549 52.037 0.020 0.000 0.779 250 A CB 1.465 20.482 19.000 0.028 0.000 1.307 250 A HN 0.622 nan 8.150 nan 0.000 0.436 251 E N -0.193 120.021 120.200 0.024 0.000 2.253 251 E HA -0.217 4.134 4.350 0.001 0.000 0.202 251 E C -0.276 176.357 176.600 0.056 0.000 1.014 251 E CA 2.010 58.432 56.400 0.036 0.000 0.823 251 E CB 0.125 29.846 29.700 0.035 0.000 0.736 251 E HN 0.716 nan 8.360 nan 0.000 0.478 252 D N -2.904 117.531 120.400 0.058 0.000 2.997 252 D HA 0.123 4.763 4.640 0.001 0.000 0.276 252 D C -1.994 174.350 176.300 0.073 0.000 1.141 252 D CA -0.393 53.650 54.000 0.072 0.000 0.727 252 D CB 1.098 41.937 40.800 0.065 0.000 1.306 252 D HN -0.177 nan 8.370 nan 0.000 0.439 253 V N 2.173 122.140 119.914 0.089 0.000 2.498 253 V HA 0.461 4.582 4.120 0.001 0.000 0.283 253 V C -0.559 175.587 176.094 0.086 0.000 1.015 253 V CA -0.581 61.774 62.300 0.091 0.000 0.867 253 V CB 1.249 33.147 31.823 0.125 0.000 1.025 253 V HN 0.552 nan 8.190 nan 0.000 0.441 254 E N 3.237 123.475 120.200 0.063 0.000 2.320 254 E HA 0.876 5.226 4.350 0.001 0.000 0.264 254 E C 0.513 177.136 176.600 0.038 0.000 0.923 254 E CA -0.312 56.118 56.400 0.050 0.000 0.796 254 E CB 2.341 32.066 29.700 0.042 0.000 1.262 254 E HN 0.920 nan 8.360 nan 0.000 0.428 255 G N 1.741 110.558 108.800 0.028 0.000 2.547 255 G HA2 -0.437 3.523 3.960 0.001 0.000 0.271 255 G HA3 -0.437 3.523 3.960 0.001 0.000 0.271 255 G C 0.731 175.639 174.900 0.014 0.000 1.209 255 G CA 0.570 45.680 45.100 0.017 0.000 0.959 255 G HN 0.871 nan 8.290 nan 0.000 0.563 256 E N 0.523 120.729 120.200 0.010 0.000 2.265 256 E HA 0.123 4.473 4.350 0.001 0.000 0.196 256 E C 2.659 179.269 176.600 0.017 0.000 0.996 256 E CA 1.791 58.195 56.400 0.006 0.000 0.832 256 E CB -0.304 29.398 29.700 0.003 0.000 0.756 256 E HN 1.090 nan 8.360 nan 0.000 0.491 257 A N 1.986 124.821 122.820 0.026 0.000 1.877 257 A HA -0.159 4.161 4.320 0.001 0.000 0.216 257 A C 2.243 179.862 177.584 0.058 0.000 1.186 257 A CA 1.506 53.565 52.037 0.037 0.000 0.620 257 A CB -0.649 18.375 19.000 0.039 0.000 0.822 257 A HN 0.320 nan 8.150 nan 0.000 0.443 258 L N -0.217 121.046 121.223 0.068 0.000 1.988 258 L HA 0.001 4.342 4.340 0.001 0.000 0.207 258 L C 2.646 179.560 176.870 0.074 0.000 1.071 258 L CA 2.477 57.380 54.840 0.106 0.000 0.744 258 L CB -1.095 41.013 42.059 0.083 0.000 0.893 258 L HN 0.345 nan 8.230 nan 0.000 0.433 259 A N -1.049 121.779 122.820 0.014 0.000 1.940 259 A HA -0.315 4.006 4.320 0.001 0.000 0.221 259 A C 2.267 179.840 177.584 -0.018 0.000 1.190 259 A CA 2.847 54.864 52.037 -0.033 0.000 0.647 259 A CB -1.543 17.435 19.000 -0.037 0.000 0.821 259 A HN 0.624 nan 8.150 nan 0.000 0.457 260 T N 0.206 114.767 114.554 0.013 0.000 2.708 260 T HA -0.091 4.260 4.350 0.001 0.000 0.266 260 T C 1.823 176.551 174.700 0.046 0.000 1.037 260 T CA 1.500 63.610 62.100 0.017 0.000 1.146 260 T CB -0.426 68.453 68.868 0.018 0.000 0.865 260 T HN 0.370 nan 8.240 nan 0.000 0.435 261 L N 0.735 122.016 121.223 0.096 0.000 1.989 261 L HA -0.145 4.196 4.340 0.001 0.000 0.211 261 L C 2.687 179.717 176.870 0.265 0.000 1.071 261 L CA 1.171 56.111 54.840 0.167 0.000 0.749 261 L CB -0.987 41.220 42.059 0.246 0.000 0.890 261 L HN 0.121 nan 8.230 nan 0.000 0.431 262 V N -0.661 119.395 119.914 0.236 0.000 2.214 262 V HA -0.325 3.796 4.120 0.001 0.000 0.247 262 V C 2.398 178.484 176.094 -0.013 0.000 1.051 262 V CA 2.080 64.413 62.300 0.055 0.000 1.003 262 V CB -0.674 30.980 31.823 -0.282 0.000 0.635 262 V HN 0.220 nan 8.190 nan 0.000 0.447 263 V N 0.668 120.535 119.914 -0.079 0.000 2.250 263 V HA -0.353 3.767 4.120 0.001 0.000 0.250 263 V C 2.314 178.405 176.094 -0.005 0.000 1.060 263 V CA 2.557 64.818 62.300 -0.065 0.000 1.030 263 V CB -1.023 30.764 31.823 -0.059 0.000 0.643 263 V HN 0.595 nan 8.190 nan 0.000 0.445 264 N N -0.048 118.663 118.700 0.019 0.000 2.149 264 N HA -0.215 4.525 4.740 0.001 0.000 0.188 264 N C 1.898 177.435 175.510 0.046 0.000 1.019 264 N CA 1.670 54.737 53.050 0.027 0.000 0.857 264 N CB -0.244 38.258 38.487 0.025 0.000 0.997 264 N HN 0.450 nan 8.380 nan 0.000 0.426 265 K N 1.839 122.289 120.400 0.084 0.000 2.009 265 K HA -0.061 4.260 4.320 0.001 0.000 0.210 265 K C 2.114 178.767 176.600 0.088 0.000 1.049 265 K CA 1.057 57.410 56.287 0.111 0.000 0.929 265 K CB -0.626 32.014 32.500 0.233 0.000 0.714 265 K HN 0.098 nan 8.250 nan 0.000 0.440 266 L N 0.275 121.548 121.223 0.083 0.000 1.971 266 L HA -0.162 4.178 4.340 0.001 0.000 0.215 266 L C 2.063 178.959 176.870 0.043 0.000 1.072 266 L CA 1.627 56.508 54.840 0.068 0.000 0.758 266 L CB -0.411 41.678 42.059 0.050 0.000 0.889 266 L HN 0.137 nan 8.230 nan 0.000 0.433 267 R N 0.771 121.288 120.500 0.028 0.000 2.858 267 R HA 0.043 4.384 4.340 0.001 0.000 0.228 267 R C 1.105 177.417 176.300 0.021 0.000 1.471 267 R CA 0.485 56.597 56.100 0.020 0.000 1.342 267 R CB -0.775 29.531 30.300 0.010 0.000 1.152 267 R HN 0.524 nan 8.270 nan 0.000 0.521 268 G N 0.325 109.142 108.800 0.028 0.000 2.309 268 G HA2 -0.368 3.593 3.960 0.001 0.000 0.286 268 G HA3 -0.368 3.593 3.960 0.001 0.000 0.286 268 G C 0.869 175.781 174.900 0.021 0.000 1.002 268 G CA 1.200 46.316 45.100 0.026 0.000 0.786 268 G HN 0.387 nan 8.290 nan 0.000 0.511 269 T N -1.282 113.285 114.554 0.021 0.000 2.770 269 T HA 0.250 4.601 4.350 0.001 0.000 0.263 269 T C 0.612 175.321 174.700 0.015 0.000 1.039 269 T CA 1.549 63.658 62.100 0.015 0.000 1.142 269 T CB 0.072 68.947 68.868 0.012 0.000 0.868 269 T HN 0.590 nan 8.240 nan 0.000 0.435 270 L N 0.622 121.857 121.223 0.019 0.000 2.545 270 L HA 0.432 4.772 4.340 0.001 0.000 0.258 270 L C -1.000 175.881 176.870 0.019 0.000 0.942 270 L CA -0.734 54.116 54.840 0.017 0.000 0.855 270 L CB 1.941 44.004 42.059 0.006 0.000 1.374 270 L HN 0.045 nan 8.230 nan 0.000 0.411 271 S N 3.560 119.270 115.700 0.016 0.000 2.473 271 S HA 0.675 5.145 4.470 0.001 0.000 0.312 271 S C -0.134 174.443 174.600 -0.038 0.000 1.087 271 S CA -0.170 58.035 58.200 0.008 0.000 1.077 271 S CB 0.014 63.224 63.200 0.017 0.000 1.065 271 S HN 0.870 nan 8.310 nan 0.000 0.510 272 V N -0.157 119.696 119.914 -0.102 0.000 3.177 272 V HA 1.059 5.180 4.120 0.001 0.000 0.319 272 V C -0.065 175.667 176.094 -0.604 0.000 1.125 272 V CA -0.992 61.146 62.300 -0.271 0.000 1.029 272 V CB 1.083 32.735 31.823 -0.286 0.000 1.119 272 V HN 1.287 nan 8.190 nan 0.000 0.452 273 A N 0.547 122.896 122.820 -0.785 0.000 2.500 273 A HA 0.858 5.178 4.320 0.001 0.000 0.291 273 A C -0.520 176.735 177.584 -0.547 0.000 1.048 273 A CA 0.023 51.490 52.037 -0.950 0.000 0.791 273 A CB 0.932 19.787 19.000 -0.242 0.000 1.309 273 A HN 2.287 nan 8.150 nan 0.000 0.397 274 A N 2.140 124.720 122.820 -0.400 0.000 2.256 274 A HA 0.652 4.972 4.320 0.001 0.000 0.317 274 A C -0.488 177.244 177.584 0.247 0.000 1.318 274 A CA -0.388 51.693 52.037 0.074 0.000 0.894 274 A CB 0.394 19.533 19.000 0.233 0.000 1.165 274 A HN 1.349 nan 8.150 nan 0.000 0.525 275 V N 4.374 124.403 119.914 0.192 0.000 2.370 275 V HA 0.199 4.319 4.120 0.001 0.000 0.283 275 V C 0.566 176.796 176.094 0.226 0.000 1.023 275 V CA -0.772 61.676 62.300 0.246 0.000 0.857 275 V CB 1.162 33.164 31.823 0.299 0.000 0.985 275 V HN 0.979 nan 8.190 nan 0.000 0.443 276 K N 2.467 122.991 120.400 0.207 0.000 2.274 276 K HA 0.299 4.619 4.320 0.001 0.000 0.255 276 K C 0.698 177.367 176.600 0.115 0.000 1.005 276 K CA 0.215 56.591 56.287 0.149 0.000 0.864 276 K CB 0.236 32.815 32.500 0.131 0.000 1.013 276 K HN 0.850 nan 8.250 nan 0.000 0.519 277 A N 1.915 124.769 122.820 0.057 0.000 2.540 277 A HA 0.065 4.386 4.320 0.001 0.000 0.239 277 A C -1.638 175.898 177.584 -0.080 0.000 1.061 277 A CA -0.986 51.040 52.037 -0.019 0.000 0.758 277 A CB -0.260 18.752 19.000 0.019 0.000 0.991 277 A HN 0.467 nan 8.150 nan 0.000 0.502 278 P HA -0.124 nan 4.420 nan 0.000 0.212 278 P C 1.277 178.519 177.300 -0.096 0.000 1.178 278 P CA 2.059 64.868 63.100 -0.487 0.000 0.915 278 P CB 0.101 31.457 31.700 -0.572 0.000 0.788 279 G N -2.429 106.350 108.800 -0.035 0.000 3.365 279 G HA2 0.480 4.441 3.960 0.001 0.000 0.185 279 G HA3 0.480 4.441 3.960 0.001 0.000 0.185 279 G C -1.257 173.757 174.900 0.190 0.000 1.565 279 G CA -0.050 45.092 45.100 0.071 0.000 0.984 279 G HN 0.203 nan 8.290 nan 0.000 0.604 280 F N -0.287 119.662 119.950 -0.002 0.000 2.623 280 F HA 0.537 5.065 4.527 0.001 0.000 0.323 280 F C 0.331 176.140 175.800 0.014 0.000 1.158 280 F CA 0.358 58.365 58.000 0.011 0.000 1.030 280 F CB 1.045 40.061 39.000 0.027 0.000 1.280 280 F HN 1.612 nan 8.300 nan 0.000 0.474 281 G N 5.610 114.082 108.800 -0.547 0.000 2.527 281 G HA2 -0.239 3.721 3.960 0.001 0.000 0.227 281 G HA3 -0.239 3.721 3.960 0.001 0.000 0.227 281 G C 0.216 174.976 174.900 -0.234 0.000 1.291 281 G CA 0.048 44.809 45.100 -0.564 0.000 0.904 281 G HN 0.655 nan 8.290 nan 0.000 0.577 282 D N 0.190 120.476 120.400 -0.189 0.000 2.350 282 D HA -0.046 4.595 4.640 0.001 0.000 0.216 282 D C 2.237 178.489 176.300 -0.080 0.000 0.968 282 D CA 0.924 54.861 54.000 -0.104 0.000 0.894 282 D CB -0.002 40.748 40.800 -0.083 0.000 0.909 282 D HN 0.463 nan 8.370 nan 0.000 0.520 283 R N 1.507 121.951 120.500 -0.092 0.000 2.081 283 R HA -0.130 4.210 4.340 0.001 0.000 0.235 283 R C 2.402 178.679 176.300 -0.038 0.000 1.131 283 R CA 1.150 57.218 56.100 -0.054 0.000 0.960 283 R CB 0.073 30.349 30.300 -0.041 0.000 0.856 283 R HN 0.177 nan 8.270 nan 0.000 0.436 284 R N 0.311 120.788 120.500 -0.038 0.000 2.090 284 R HA -0.050 4.290 4.340 0.001 0.000 0.228 284 R C 1.800 178.072 176.300 -0.047 0.000 1.110 284 R CA 1.268 57.346 56.100 -0.037 0.000 0.973 284 R CB -0.330 29.959 30.300 -0.018 0.000 0.869 284 R HN 0.115 nan 8.270 nan 0.000 0.440 285 K N 0.461 120.834 120.400 -0.045 0.000 2.209 285 K HA -0.085 4.236 4.320 0.001 0.000 0.204 285 K C 1.700 178.278 176.600 -0.035 0.000 1.048 285 K CA 1.221 57.484 56.287 -0.039 0.000 0.940 285 K CB 0.097 32.575 32.500 -0.037 0.000 0.729 285 K HN 0.271 nan 8.250 nan 0.000 0.451 286 E N 0.089 120.270 120.200 -0.033 0.000 2.250 286 E HA 0.020 4.371 4.350 0.001 0.000 0.192 286 E C 1.829 178.420 176.600 -0.015 0.000 0.986 286 E CA 0.684 57.071 56.400 -0.022 0.000 0.849 286 E CB 0.157 29.845 29.700 -0.020 0.000 0.797 286 E HN 0.369 nan 8.360 nan 0.000 0.482 287 M N 0.087 119.676 119.600 -0.019 0.000 2.334 287 M HA 0.030 4.510 4.480 0.001 0.000 0.266 287 M C 2.207 178.475 176.300 -0.052 0.000 1.082 287 M CA 0.680 55.981 55.300 0.002 0.000 1.141 287 M CB -0.105 32.498 32.600 0.005 0.000 1.380 287 M HN 0.029 nan 8.290 nan 0.000 0.440 288 L N 0.255 121.430 121.223 -0.081 0.000 2.131 288 L HA -0.208 4.132 4.340 0.001 0.000 0.210 288 L C 2.204 179.017 176.870 -0.095 0.000 1.092 288 L CA 1.279 56.053 54.840 -0.110 0.000 0.759 288 L CB -0.577 41.430 42.059 -0.087 0.000 0.903 288 L HN 0.291 nan 8.230 nan 0.000 0.435 289 K N -0.378 119.985 120.400 -0.060 0.000 2.296 289 K HA -0.092 4.228 4.320 0.001 0.000 0.200 289 K C 1.305 177.879 176.600 -0.044 0.000 1.048 289 K CA 0.933 57.192 56.287 -0.047 0.000 0.966 289 K CB 0.001 32.486 32.500 -0.025 0.000 0.754 289 K HN 0.259 nan 8.250 nan 0.000 0.466 290 D N 1.156 121.535 120.400 -0.036 0.000 2.106 290 D HA -0.029 4.612 4.640 0.001 0.000 0.203 290 D C 1.778 178.008 176.300 -0.117 0.000 0.977 290 D CA 0.836 54.836 54.000 -0.000 0.000 0.844 290 D CB -0.056 40.817 40.800 0.122 0.000 1.002 290 D HN 0.013 nan 8.370 nan 0.000 0.461 291 I N 1.162 121.563 120.570 -0.282 0.000 2.194 291 I HA -0.309 3.861 4.170 0.001 0.000 0.246 291 I C 2.242 178.208 176.117 -0.251 0.000 1.093 291 I CA 0.959 61.966 61.300 -0.488 0.000 1.355 291 I CB -0.383 37.349 38.000 -0.447 0.000 1.046 291 I HN -0.026 nan 8.210 nan 0.000 0.413 292 A N 1.081 123.803 122.820 -0.163 0.000 1.848 292 A HA -0.213 4.108 4.320 0.001 0.000 0.211 292 A C 2.574 180.106 177.584 -0.087 0.000 1.225 292 A CA 2.256 54.226 52.037 -0.112 0.000 0.637 292 A CB -1.417 17.529 19.000 -0.090 0.000 0.867 292 A HN 0.408 nan 8.150 nan 0.000 0.463 293 A N -0.926 121.858 122.820 -0.059 0.000 1.888 293 A HA -0.343 3.978 4.320 0.001 0.000 0.249 293 A C 2.465 180.032 177.584 -0.028 0.000 2.120 293 A CA 4.472 56.489 52.037 -0.032 0.000 0.772 293 A CB -2.035 16.958 19.000 -0.012 0.000 0.844 293 A HN 1.658 nan 8.150 nan 0.000 0.525 294 V N -2.252 117.641 119.914 -0.035 0.000 2.427 294 V HA -0.167 3.953 4.120 0.001 0.000 0.248 294 V C 2.420 178.494 176.094 -0.034 0.000 1.051 294 V CA 2.858 65.147 62.300 -0.018 0.000 1.048 294 V CB -1.995 29.829 31.823 0.001 0.000 0.666 294 V HN 0.923 nan 8.190 nan 0.000 0.456 295 T N -2.555 111.960 114.554 -0.065 0.000 3.014 295 T HA 0.347 4.698 4.350 0.001 0.000 0.263 295 T C 1.695 176.369 174.700 -0.043 0.000 1.078 295 T CA 1.050 63.115 62.100 -0.057 0.000 1.135 295 T CB -0.062 68.762 68.868 -0.074 0.000 0.895 295 T HN 1.852 nan 8.240 nan 0.000 0.480 296 G N 0.482 109.256 108.800 -0.043 0.000 2.207 296 G HA2 0.171 4.132 3.960 0.001 0.000 0.216 296 G HA3 0.171 4.132 3.960 0.001 0.000 0.216 296 G C 0.221 175.098 174.900 -0.039 0.000 1.053 296 G CA -0.223 44.857 45.100 -0.033 0.000 0.764 296 G HN 0.995 nan 8.290 nan 0.000 0.495 297 G N -1.653 107.111 108.800 -0.060 0.000 3.075 297 G HA2 0.786 4.746 3.960 0.001 0.000 0.253 297 G HA3 0.786 4.746 3.960 0.001 0.000 0.253 297 G C -0.632 174.194 174.900 -0.125 0.000 1.353 297 G CA 0.138 45.188 45.100 -0.082 0.000 1.051 297 G HN 0.622 nan 8.290 nan 0.000 0.553 298 T N 0.174 114.611 114.554 -0.195 0.000 2.824 298 T HA 0.412 4.763 4.350 0.001 0.000 0.282 298 T C -0.099 174.453 174.700 -0.247 0.000 0.993 298 T CA -0.228 61.706 62.100 -0.276 0.000 0.967 298 T CB 1.381 69.907 68.868 -0.569 0.000 0.960 298 T HN 0.396 nan 8.240 nan 0.000 0.441 299 V N 5.908 125.727 119.914 -0.159 0.000 2.425 299 V HA 0.156 4.277 4.120 0.001 0.000 0.276 299 V C 0.747 176.789 176.094 -0.086 0.000 1.017 299 V CA -0.006 62.235 62.300 -0.099 0.000 1.062 299 V CB -0.542 31.252 31.823 -0.049 0.000 0.997 299 V HN 0.772 nan 8.190 nan 0.000 0.476 300 I N 6.335 126.857 120.570 -0.079 0.000 2.278 300 I HA 0.210 4.381 4.170 0.001 0.000 0.300 300 I C 0.643 176.780 176.117 0.033 0.000 1.174 300 I CA 0.612 61.901 61.300 -0.017 0.000 1.347 300 I CB -0.341 37.644 38.000 -0.024 0.000 1.473 300 I HN 0.888 nan 8.210 nan 0.000 0.595 301 S N 2.351 118.095 115.700 0.073 0.000 2.638 301 S HA 0.350 4.820 4.470 0.001 0.000 0.274 301 S C 0.439 175.087 174.600 0.081 0.000 1.157 301 S CA -0.967 57.269 58.200 0.059 0.000 0.826 301 S CB 1.669 64.888 63.200 0.032 0.000 1.139 301 S HN 0.491 nan 8.310 nan 0.000 0.474 302 E N 0.634 120.865 120.200 0.051 0.000 2.265 302 E HA -0.153 4.198 4.350 0.001 0.000 0.196 302 E C 1.316 177.940 176.600 0.040 0.000 0.996 302 E CA 1.278 57.702 56.400 0.040 0.000 0.832 302 E CB -0.110 29.603 29.700 0.021 0.000 0.756 302 E HN 0.675 nan 8.360 nan 0.000 0.491 303 E N 0.747 120.974 120.200 0.045 0.000 2.001 303 E HA -0.174 4.177 4.350 0.001 0.000 0.193 303 E C 1.902 178.543 176.600 0.069 0.000 0.994 303 E CA 0.638 57.064 56.400 0.042 0.000 0.815 303 E CB -0.151 29.570 29.700 0.034 0.000 0.770 303 E HN 0.066 nan 8.360 nan 0.000 0.453 304 L N 0.262 121.557 121.223 0.120 0.000 2.551 304 L HA -0.058 4.283 4.340 0.001 0.000 0.230 304 L C 1.112 178.122 176.870 0.234 0.000 1.163 304 L CA 1.708 56.678 54.840 0.217 0.000 0.826 304 L CB -0.840 41.386 42.059 0.277 0.000 0.943 304 L HN 0.441 nan 8.230 nan 0.000 0.452 305 G N -2.039 106.824 108.800 0.106 0.000 2.225 305 G HA2 -0.309 3.652 3.960 0.001 0.000 0.264 305 G HA3 -0.309 3.652 3.960 0.001 0.000 0.264 305 G C 0.084 174.826 174.900 -0.265 0.000 1.060 305 G CA 0.249 45.304 45.100 -0.075 0.000 0.833 305 G HN 0.227 nan 8.290 nan 0.000 0.498 306 F N -0.796 119.149 119.950 -0.008 0.000 2.594 306 F HA 0.839 5.366 4.527 0.001 0.000 0.335 306 F C 0.399 176.194 175.800 -0.008 0.000 1.058 306 F CA -1.125 56.870 58.000 -0.008 0.000 0.981 306 F CB 2.196 41.191 39.000 -0.009 0.000 1.289 306 F HN 0.066 nan 8.300 nan 0.000 0.490 307 K N 1.107 121.621 120.400 0.189 0.000 2.535 307 K HA 0.428 4.749 4.320 0.001 0.000 0.250 307 K C 0.062 176.722 176.600 0.100 0.000 0.948 307 K CA -0.566 55.781 56.287 0.100 0.000 0.796 307 K CB 1.504 34.030 32.500 0.043 0.000 1.216 307 K HN 0.440 nan 8.250 nan 0.000 0.432 308 L N 3.758 125.023 121.223 0.069 0.000 2.017 308 L HA -0.335 4.006 4.340 0.001 0.000 0.234 308 L C 1.396 178.290 176.870 0.039 0.000 1.097 308 L CA 2.485 57.353 54.840 0.047 0.000 0.816 308 L CB -0.548 41.529 42.059 0.029 0.000 0.914 308 L HN 0.934 nan 8.230 nan 0.000 0.444 309 E N -0.781 119.437 120.200 0.030 0.000 2.070 309 E HA -0.232 4.118 4.350 0.001 0.000 0.197 309 E C 0.752 177.369 176.600 0.028 0.000 1.004 309 E CA 1.264 57.677 56.400 0.020 0.000 0.805 309 E CB -0.752 28.957 29.700 0.014 0.000 0.744 309 E HN 0.593 nan 8.360 nan 0.000 0.451 310 N N 1.658 120.385 118.700 0.046 0.000 3.105 310 N HA 0.154 4.895 4.740 0.001 0.000 0.309 310 N C -0.379 175.195 175.510 0.106 0.000 1.291 310 N CA 0.274 53.360 53.050 0.061 0.000 1.153 310 N CB 0.209 38.729 38.487 0.054 0.000 1.447 310 N HN 0.171 nan 8.380 nan 0.000 0.555 311 A N -0.029 122.828 122.820 0.061 0.000 2.336 311 A HA 0.811 5.131 4.320 0.001 0.000 0.291 311 A C 0.481 178.079 177.584 0.023 0.000 1.266 311 A CA -0.107 51.956 52.037 0.044 0.000 0.891 311 A CB 0.796 19.793 19.000 -0.004 0.000 1.366 311 A HN 0.234 nan 8.150 nan 0.000 0.507 312 T N -0.787 113.757 114.554 -0.016 0.000 2.786 312 T HA 0.338 4.688 4.350 0.001 0.000 0.316 312 T C 0.330 174.977 174.700 -0.088 0.000 1.503 312 T CA -0.625 61.456 62.100 -0.032 0.000 1.019 312 T CB 0.912 69.787 68.868 0.013 0.000 1.415 312 T HN 0.403 nan 8.240 nan 0.000 0.496 313 L N 0.807 121.959 121.223 -0.119 0.000 2.599 313 L HA 0.113 4.453 4.340 0.001 0.000 0.230 313 L C 1.667 178.490 176.870 -0.079 0.000 1.141 313 L CA 0.546 55.257 54.840 -0.215 0.000 0.877 313 L CB -0.191 41.709 42.059 -0.265 0.000 1.009 313 L HN 0.578 nan 8.230 nan 0.000 0.447 314 S N -1.091 114.591 115.700 -0.031 0.000 2.520 314 S HA 0.187 4.658 4.470 0.001 0.000 0.219 314 S C 1.589 176.186 174.600 -0.005 0.000 1.028 314 S CA -0.047 58.160 58.200 0.011 0.000 0.921 314 S CB 0.343 63.555 63.200 0.021 0.000 0.844 314 S HN 0.232 nan 8.310 nan 0.000 0.495 315 M N 1.936 121.510 119.600 -0.043 0.000 2.563 315 M HA 0.287 4.768 4.480 0.001 0.000 0.231 315 M C -0.301 175.909 176.300 -0.151 0.000 1.136 315 M CA 0.392 55.612 55.300 -0.133 0.000 1.026 315 M CB -1.109 31.362 32.600 -0.216 0.000 1.597 315 M HN 0.239 nan 8.290 nan 0.000 0.495 316 L N -2.849 118.340 121.223 -0.057 0.000 2.235 316 L HA 1.030 5.370 4.340 0.001 0.000 0.260 316 L C 0.348 177.234 176.870 0.028 0.000 1.025 316 L CA -0.998 53.827 54.840 -0.025 0.000 0.836 316 L CB -0.298 41.769 42.059 0.014 0.000 1.395 316 L HN -0.057 nan 8.230 nan 0.000 0.443 317 G N -0.918 107.897 108.800 0.024 0.000 2.491 317 G HA2 0.803 4.764 3.960 0.001 0.000 0.327 317 G HA3 0.803 4.764 3.960 0.001 0.000 0.327 317 G C -0.795 174.111 174.900 0.011 0.000 1.189 317 G CA -0.847 44.258 45.100 0.008 0.000 0.956 317 G HN 0.594 nan 8.290 nan 0.000 0.491 318 R N -1.217 119.250 120.500 -0.055 0.000 2.905 318 R HA 0.803 5.143 4.340 0.001 0.000 0.260 318 R C -0.300 175.932 176.300 -0.113 0.000 1.086 318 R CA -0.488 55.521 56.100 -0.150 0.000 0.978 318 R CB 2.191 32.347 30.300 -0.240 0.000 1.215 318 R HN 0.772 nan 8.270 nan 0.000 0.480 319 A N 0.171 122.909 122.820 -0.136 0.000 3.065 319 A HA 0.449 4.770 4.320 0.001 0.000 0.293 319 A C -0.623 176.905 177.584 -0.093 0.000 1.213 319 A CA -0.518 51.467 52.037 -0.086 0.000 0.667 319 A CB 1.068 20.032 19.000 -0.060 0.000 1.412 319 A HN 0.742 nan 8.150 nan 0.000 0.601 320 E N -1.038 119.125 120.200 -0.063 0.000 2.508 320 E HA 0.291 4.641 4.350 0.001 0.000 0.217 320 E C 0.257 176.829 176.600 -0.047 0.000 0.896 320 E CA 0.082 56.448 56.400 -0.056 0.000 1.118 320 E CB 1.111 30.788 29.700 -0.038 0.000 1.133 320 E HN 0.433 nan 8.360 nan 0.000 0.526 321 R N -0.399 120.078 120.500 -0.039 0.000 2.741 321 R HA 0.431 4.772 4.340 0.001 0.000 0.276 321 R C -2.138 174.149 176.300 -0.022 0.000 1.028 321 R CA -0.505 55.578 56.100 -0.028 0.000 0.865 321 R CB 1.873 32.162 30.300 -0.018 0.000 1.268 321 R HN -0.114 nan 8.270 nan 0.000 0.475 322 V N 2.895 122.800 119.914 -0.015 0.000 2.674 322 V HA 0.360 4.480 4.120 0.001 0.000 0.279 322 V C -1.057 175.034 176.094 -0.005 0.000 1.051 322 V CA -0.676 61.617 62.300 -0.011 0.000 0.912 322 V CB 1.641 33.457 31.823 -0.011 0.000 1.044 322 V HN 0.657 nan 8.190 nan 0.000 0.464 323 R N 5.303 125.794 120.500 -0.014 0.000 2.297 323 R HA 0.781 5.122 4.340 0.001 0.000 0.308 323 R C -0.922 175.363 176.300 -0.025 0.000 1.029 323 R CA -0.455 55.641 56.100 -0.008 0.000 0.929 323 R CB 1.799 32.090 30.300 -0.016 0.000 1.046 323 R HN 0.577 nan 8.270 nan 0.000 0.461 324 I N 2.384 122.966 120.570 0.020 0.000 2.517 324 I HA 0.170 4.340 4.170 0.001 0.000 0.280 324 I C -0.118 176.004 176.117 0.009 0.000 1.061 324 I CA -0.478 60.826 61.300 0.006 0.000 1.091 324 I CB 2.029 40.094 38.000 0.109 0.000 1.205 324 I HN 0.587 nan 8.210 nan 0.000 0.459 325 T N 3.230 117.703 114.554 -0.134 0.000 2.833 325 T HA 0.132 4.483 4.350 0.001 0.000 0.292 325 T C 1.362 175.684 174.700 -0.629 0.000 1.031 325 T CA -0.608 61.365 62.100 -0.212 0.000 0.937 325 T CB 1.117 69.902 68.868 -0.140 0.000 1.256 325 T HN 0.478 nan 8.240 nan 0.000 0.551 326 K N 1.240 121.284 120.400 -0.594 0.000 2.152 326 K HA -0.145 4.176 4.320 0.001 0.000 0.206 326 K C 0.649 176.978 176.600 -0.451 0.000 1.048 326 K CA 1.789 57.651 56.287 -0.708 0.000 0.933 326 K CB -0.259 32.083 32.500 -0.264 0.000 0.721 326 K HN 0.783 nan 8.250 nan 0.000 0.447 327 D N -1.363 118.865 120.400 -0.286 0.000 2.651 327 D HA 0.091 4.731 4.640 0.001 0.000 0.280 327 D C -0.522 175.694 176.300 -0.140 0.000 1.496 327 D CA -0.303 53.595 54.000 -0.169 0.000 0.792 327 D CB 0.160 40.898 40.800 -0.103 0.000 1.144 327 D HN 0.160 nan 8.370 nan 0.000 0.470 328 E N -0.123 119.962 120.200 -0.191 0.000 2.352 328 E HA 0.400 4.751 4.350 0.001 0.000 0.280 328 E C -1.543 174.885 176.600 -0.287 0.000 0.930 328 E CA -0.378 55.898 56.400 -0.206 0.000 0.765 328 E CB 2.189 31.799 29.700 -0.151 0.000 1.219 328 E HN -0.112 nan 8.360 nan 0.000 0.434 329 T N 1.711 115.970 114.554 -0.491 0.000 2.863 329 T HA 0.487 4.837 4.350 0.001 0.000 0.285 329 T C -0.983 173.475 174.700 -0.404 0.000 1.009 329 T CA -0.515 61.259 62.100 -0.545 0.000 0.989 329 T CB 1.658 69.928 68.868 -0.995 0.000 1.004 329 T HN 0.346 nan 8.240 nan 0.000 0.455 330 T N 3.184 117.620 114.554 -0.196 0.000 3.141 330 T HA 0.349 4.700 4.350 0.001 0.000 0.377 330 T C 0.383 175.075 174.700 -0.012 0.000 1.258 330 T CA -0.471 61.585 62.100 -0.074 0.000 1.263 330 T CB -0.220 68.617 68.868 -0.052 0.000 1.066 330 T HN 0.506 nan 8.240 nan 0.000 0.546 331 I N 3.200 123.798 120.570 0.045 0.000 2.455 331 I HA 0.057 4.228 4.170 0.001 0.000 0.303 331 I C 0.510 176.659 176.117 0.054 0.000 1.180 331 I CA -0.129 61.202 61.300 0.052 0.000 1.469 331 I CB -0.174 37.872 38.000 0.076 0.000 1.480 331 I HN 0.258 nan 8.210 nan 0.000 0.669 332 V N 5.148 125.076 119.914 0.023 0.000 2.715 332 V HA 0.197 4.318 4.120 0.001 0.000 0.299 332 V C 1.279 177.377 176.094 0.008 0.000 1.054 332 V CA -0.064 62.247 62.300 0.019 0.000 1.077 332 V CB 0.925 32.751 31.823 0.004 0.000 0.972 332 V HN 1.008 nan 8.190 nan 0.000 0.484 333 G N 3.792 112.599 108.800 0.012 0.000 2.352 333 G HA2 -0.108 3.853 3.960 0.001 0.000 0.283 333 G HA3 -0.108 3.853 3.960 0.001 0.000 0.283 333 G C 0.501 175.396 174.900 -0.009 0.000 0.946 333 G CA -0.003 45.097 45.100 0.000 0.000 1.317 333 G HN 1.431 nan 8.290 nan 0.000 0.478 334 G N -0.179 108.623 108.800 0.004 0.000 2.594 334 G HA2 0.461 4.421 3.960 0.001 0.000 0.243 334 G HA3 0.461 4.421 3.960 0.001 0.000 0.243 334 G C 0.867 175.756 174.900 -0.018 0.000 1.229 334 G CA -0.210 44.884 45.100 -0.010 0.000 0.843 334 G HN 0.345 nan 8.290 nan 0.000 0.578 335 K N 0.893 121.275 120.400 -0.029 0.000 2.348 335 K HA 0.113 4.434 4.320 0.001 0.000 0.194 335 K C 1.716 178.305 176.600 -0.018 0.000 1.052 335 K CA 0.328 56.599 56.287 -0.028 0.000 1.004 335 K CB 0.065 32.542 32.500 -0.040 0.000 0.873 335 K HN 0.565 nan 8.250 nan 0.000 0.523 336 G N 2.048 110.837 108.800 -0.020 0.000 2.818 336 G HA2 -0.145 3.816 3.960 0.001 0.000 0.235 336 G HA3 -0.145 3.816 3.960 0.001 0.000 0.235 336 G C -0.242 174.654 174.900 -0.006 0.000 1.244 336 G CA -0.052 45.039 45.100 -0.015 0.000 0.853 336 G HN 0.089 nan 8.290 nan 0.000 0.596 337 K N 0.183 120.581 120.400 -0.003 0.000 2.123 337 K HA 0.189 4.510 4.320 0.001 0.000 0.259 337 K C 1.126 177.729 176.600 0.005 0.000 0.960 337 K CA -0.779 55.509 56.287 0.001 0.000 0.872 337 K CB 1.921 34.422 32.500 0.002 0.000 1.079 337 K HN 0.460 nan 8.250 nan 0.000 0.440 338 K N 2.424 122.827 120.400 0.007 0.000 2.056 338 K HA -0.315 4.006 4.320 0.001 0.000 0.225 338 K C 1.133 177.738 176.600 0.009 0.000 1.053 338 K CA 2.521 58.813 56.287 0.009 0.000 0.966 338 K CB -0.158 32.346 32.500 0.007 0.000 0.735 338 K HN 0.669 nan 8.250 nan 0.000 0.455 339 E N -0.114 120.090 120.200 0.008 0.000 2.085 339 E HA -0.210 4.141 4.350 0.001 0.000 0.194 339 E C 2.019 178.624 176.600 0.008 0.000 0.994 339 E CA 1.290 57.694 56.400 0.008 0.000 0.801 339 E CB -0.300 29.404 29.700 0.007 0.000 0.743 339 E HN 0.487 nan 8.360 nan 0.000 0.453 340 D N 0.576 120.980 120.400 0.007 0.000 2.178 340 D HA -0.123 4.518 4.640 0.001 0.000 0.201 340 D C 1.807 178.112 176.300 0.009 0.000 0.980 340 D CA 0.907 54.911 54.000 0.006 0.000 0.842 340 D CB 0.187 40.987 40.800 0.001 0.000 0.948 340 D HN 0.220 nan 8.370 nan 0.000 0.472 341 I N 0.089 120.666 120.570 0.013 0.000 2.628 341 I HA -0.030 4.140 4.170 0.001 0.000 0.255 341 I C 2.111 178.240 176.117 0.021 0.000 1.119 341 I CA 0.094 61.407 61.300 0.022 0.000 1.448 341 I CB -0.256 37.762 38.000 0.030 0.000 1.133 341 I HN -0.161 nan 8.210 nan 0.000 0.438 342 E N 1.996 122.206 120.200 0.017 0.000 2.527 342 E HA -0.120 4.231 4.350 0.001 0.000 0.204 342 E C 1.154 177.761 176.600 0.012 0.000 1.132 342 E CA 0.782 57.190 56.400 0.014 0.000 0.905 342 E CB 0.240 29.947 29.700 0.012 0.000 0.875 342 E HN 0.539 nan 8.360 nan 0.000 0.548 343 A N -0.246 122.582 122.820 0.012 0.000 2.480 343 A HA 0.159 4.479 4.320 0.001 0.000 0.191 343 A C 1.749 179.340 177.584 0.011 0.000 1.503 343 A CA -0.184 51.859 52.037 0.010 0.000 1.110 343 A CB 0.263 19.268 19.000 0.008 0.000 1.401 343 A HN 0.044 nan 8.150 nan 0.000 0.533 344 R N 0.143 120.652 120.500 0.014 0.000 2.173 344 R HA 0.319 4.659 4.340 0.001 0.000 0.208 344 R C 1.456 177.768 176.300 0.020 0.000 1.035 344 R CA 1.439 57.549 56.100 0.017 0.000 1.004 344 R CB -0.363 29.950 30.300 0.021 0.000 0.917 344 R HN 0.514 nan 8.270 nan 0.000 0.462 345 I N -0.095 120.488 120.570 0.022 0.000 3.035 345 I HA -0.024 4.146 4.170 0.001 0.000 0.271 345 I C 1.281 177.405 176.117 0.010 0.000 1.190 345 I CA 0.487 61.798 61.300 0.019 0.000 1.472 345 I CB 0.012 38.026 38.000 0.023 0.000 1.116 345 I HN 0.180 nan 8.210 nan 0.000 0.443 346 N N 1.013 119.719 118.700 0.010 0.000 2.494 346 N HA -0.023 4.717 4.740 0.001 0.000 0.182 346 N C 1.510 177.023 175.510 0.005 0.000 1.076 346 N CA 1.134 54.188 53.050 0.007 0.000 0.908 346 N CB 0.313 38.804 38.487 0.007 0.000 0.967 346 N HN 0.477 nan 8.380 nan 0.000 0.449 347 G N -0.378 108.425 108.800 0.005 0.000 2.762 347 G HA2 0.106 4.066 3.960 0.001 0.000 0.209 347 G HA3 0.106 4.066 3.960 0.001 0.000 0.209 347 G C 1.526 176.426 174.900 0.001 0.000 1.134 347 G CA -0.162 44.941 45.100 0.003 0.000 0.781 347 G HN 0.246 nan 8.290 nan 0.000 0.528 348 I N -0.086 120.485 120.570 0.001 0.000 2.761 348 I HA 0.040 4.211 4.170 0.001 0.000 0.261 348 I C 2.540 178.654 176.117 -0.006 0.000 1.198 348 I CA 0.698 61.997 61.300 -0.003 0.000 1.482 348 I CB 0.138 38.136 38.000 -0.002 0.000 1.100 348 I HN 0.087 nan 8.210 nan 0.000 0.445 349 K N 1.012 121.410 120.400 -0.003 0.000 2.166 349 K HA -0.118 4.202 4.320 0.001 0.000 0.201 349 K C 2.059 178.658 176.600 -0.003 0.000 1.052 349 K CA 0.708 56.992 56.287 -0.004 0.000 0.969 349 K CB 0.230 32.728 32.500 -0.002 0.000 0.761 349 K HN -0.011 nan 8.250 nan 0.000 0.459 350 K N 0.939 121.338 120.400 -0.001 0.000 2.288 350 K HA -0.136 4.185 4.320 0.001 0.000 0.201 350 K C 1.697 178.297 176.600 -0.001 0.000 1.048 350 K CA 1.162 57.449 56.287 -0.000 0.000 0.956 350 K CB 0.233 32.733 32.500 0.001 0.000 0.746 350 K HN 0.133 nan 8.250 nan 0.000 0.461 351 E N -0.335 119.864 120.200 -0.002 0.000 2.307 351 E HA -0.078 4.273 4.350 0.001 0.000 0.195 351 E C 1.677 178.275 176.600 -0.003 0.000 0.975 351 E CA 0.069 56.467 56.400 -0.002 0.000 0.878 351 E CB 0.179 29.877 29.700 -0.003 0.000 0.845 351 E HN 0.149 nan 8.360 nan 0.000 0.488 352 L N 2.290 123.510 121.223 -0.005 0.000 2.093 352 L HA -0.145 4.196 4.340 0.001 0.000 0.208 352 L C 1.972 178.841 176.870 -0.003 0.000 1.085 352 L CA 2.000 56.836 54.840 -0.007 0.000 0.755 352 L CB -0.379 41.674 42.059 -0.010 0.000 0.904 352 L HN 0.224 nan 8.230 nan 0.000 0.435 353 E N -2.476 117.724 120.200 -0.001 0.000 2.472 353 E HA -0.114 4.237 4.350 0.001 0.000 0.200 353 E C 0.360 176.962 176.600 0.003 0.000 1.046 353 E CA 1.143 57.544 56.400 0.001 0.000 0.871 353 E CB -0.411 29.289 29.700 0.001 0.000 0.806 353 E HN 0.398 nan 8.360 nan 0.000 0.533 354 T N 0.518 115.074 114.554 0.003 0.000 3.296 354 T HA 0.144 4.494 4.350 0.001 0.000 0.285 354 T C -0.505 174.200 174.700 0.007 0.000 1.014 354 T CA -0.318 61.785 62.100 0.005 0.000 0.920 354 T CB 0.875 69.746 68.868 0.004 0.000 1.143 354 T HN -0.022 nan 8.240 nan 0.000 0.522 355 T N 2.141 116.699 114.554 0.008 0.000 2.934 355 T HA 0.233 4.583 4.350 0.001 0.000 0.328 355 T C -0.073 174.636 174.700 0.016 0.000 1.068 355 T CA -0.631 61.476 62.100 0.012 0.000 1.018 355 T CB 1.216 70.089 68.868 0.008 0.000 1.009 355 T HN 0.042 nan 8.240 nan 0.000 0.471 356 D N 1.404 121.816 120.400 0.020 0.000 2.349 356 D HA 0.064 4.705 4.640 0.001 0.000 0.214 356 D C 0.343 176.663 176.300 0.033 0.000 1.063 356 D CA 0.111 54.125 54.000 0.023 0.000 0.847 356 D CB 0.573 41.384 40.800 0.020 0.000 0.933 356 D HN 0.336 nan 8.370 nan 0.000 0.513 357 S N 1.178 116.904 115.700 0.042 0.000 2.455 357 S HA 0.050 4.521 4.470 0.001 0.000 0.278 357 S C 1.305 175.952 174.600 0.079 0.000 1.216 357 S CA -0.301 57.939 58.200 0.066 0.000 1.055 357 S CB 1.503 64.755 63.200 0.086 0.000 0.939 357 S HN 0.124 nan 8.310 nan 0.000 0.494 358 E N 1.470 121.719 120.200 0.083 0.000 2.219 358 E HA -0.241 4.109 4.350 0.001 0.000 0.198 358 E C 0.944 177.619 176.600 0.126 0.000 0.998 358 E CA 1.294 57.745 56.400 0.085 0.000 0.818 358 E CB -0.094 29.655 29.700 0.081 0.000 0.741 358 E HN 0.806 nan 8.360 nan 0.000 0.477 359 Y N 0.526 120.831 120.300 0.009 0.000 2.177 359 Y HA 0.004 4.555 4.550 0.001 0.000 0.291 359 Y C 2.223 178.128 175.900 0.009 0.000 1.117 359 Y CA 1.240 59.346 58.100 0.010 0.000 1.114 359 Y CB -0.433 38.035 38.460 0.012 0.000 1.017 359 Y HN -0.049 nan 8.280 nan 0.000 0.505 360 A N 0.002 122.868 122.820 0.076 0.000 2.121 360 A HA -0.129 4.192 4.320 0.001 0.000 0.218 360 A C 2.131 179.684 177.584 -0.050 0.000 1.154 360 A CA 1.542 53.564 52.037 -0.025 0.000 0.679 360 A CB -0.653 18.375 19.000 0.046 0.000 0.795 360 A HN 0.461 nan 8.150 nan 0.000 0.458 361 R N 0.384 120.871 120.500 -0.022 0.000 2.062 361 R HA -0.044 4.297 4.340 0.001 0.000 0.229 361 R C 1.802 178.072 176.300 -0.050 0.000 1.128 361 R CA 1.963 58.049 56.100 -0.022 0.000 0.960 361 R CB -0.372 29.931 30.300 0.004 0.000 0.855 361 R HN 0.624 nan 8.270 nan 0.000 0.432 362 E N -0.108 120.049 120.200 -0.072 0.000 2.216 362 E HA -0.086 4.265 4.350 0.001 0.000 0.192 362 E C 1.606 178.127 176.600 -0.132 0.000 0.988 362 E CA 0.571 56.918 56.400 -0.088 0.000 0.834 362 E CB 0.151 29.808 29.700 -0.073 0.000 0.772 362 E HN 0.134 nan 8.360 nan 0.000 0.479 363 K N 0.702 120.979 120.400 -0.205 0.000 2.148 363 K HA -0.044 4.277 4.320 0.001 0.000 0.204 363 K C 2.044 178.570 176.600 -0.122 0.000 1.050 363 K CA 0.764 56.924 56.287 -0.211 0.000 0.942 363 K CB -0.087 32.220 32.500 -0.320 0.000 0.724 363 K HN 0.225 nan 8.250 nan 0.000 0.446 364 L N 0.496 121.663 121.223 -0.094 0.000 2.418 364 L HA -0.006 4.335 4.340 0.001 0.000 0.218 364 L C 1.966 178.806 176.870 -0.051 0.000 1.125 364 L CA 0.567 55.372 54.840 -0.059 0.000 0.835 364 L CB -0.190 41.843 42.059 -0.043 0.000 0.953 364 L HN 0.130 nan 8.230 nan 0.000 0.454 365 Q N -0.191 119.574 119.800 -0.058 0.000 2.408 365 Q HA -0.100 4.240 4.340 0.001 0.000 0.205 365 Q C 1.808 177.771 176.000 -0.061 0.000 0.919 365 Q CA 0.352 56.125 55.803 -0.051 0.000 0.932 365 Q CB 0.426 29.137 28.738 -0.045 0.000 1.058 365 Q HN 0.481 nan 8.270 nan 0.000 0.517 366 E N 0.920 121.076 120.200 -0.073 0.000 2.250 366 E HA -0.066 4.284 4.350 0.001 0.000 0.192 366 E C 1.805 178.350 176.600 -0.090 0.000 0.986 366 E CA 0.216 56.567 56.400 -0.082 0.000 0.849 366 E CB 0.308 29.957 29.700 -0.086 0.000 0.797 366 E HN 0.138 nan 8.360 nan 0.000 0.482 367 R N 0.162 120.619 120.500 -0.072 0.000 2.080 367 R HA 0.106 4.447 4.340 0.001 0.000 0.222 367 R C 2.442 178.712 176.300 -0.049 0.000 1.107 367 R CA 0.618 56.683 56.100 -0.058 0.000 0.980 367 R CB -0.110 30.174 30.300 -0.026 0.000 0.879 367 R HN 0.229 nan 8.270 nan 0.000 0.439 368 L N 0.443 121.642 121.223 -0.040 0.000 2.456 368 L HA -0.081 4.260 4.340 0.001 0.000 0.224 368 L C 1.939 178.785 176.870 -0.040 0.000 1.148 368 L CA 0.456 55.280 54.840 -0.027 0.000 0.825 368 L CB -0.090 41.955 42.059 -0.023 0.000 0.937 368 L HN 0.228 nan 8.230 nan 0.000 0.450 369 A N 0.038 122.817 122.820 -0.068 0.000 1.849 369 A HA -0.131 4.190 4.320 0.001 0.000 0.214 369 A C 2.127 179.643 177.584 -0.114 0.000 1.269 369 A CA 1.033 53.021 52.037 -0.082 0.000 0.605 369 A CB -0.347 18.597 19.000 -0.094 0.000 0.937 369 A HN 0.259 nan 8.150 nan 0.000 0.461 370 K N 0.058 120.331 120.400 -0.212 0.000 2.097 370 K HA -0.165 4.155 4.320 0.001 0.000 0.214 370 K C 0.780 177.251 176.600 -0.215 0.000 1.052 370 K CA 1.432 57.475 56.287 -0.407 0.000 0.932 370 K CB -0.718 31.230 32.500 -0.920 0.000 0.716 370 K HN 0.432 nan 8.250 nan 0.000 0.455 371 L N 1.158 122.342 121.223 -0.064 0.000 3.168 371 L HA 0.048 4.389 4.340 0.001 0.000 0.253 371 L C 0.109 177.011 176.870 0.053 0.000 1.384 371 L CA -0.481 54.415 54.840 0.094 0.000 1.131 371 L CB -0.911 41.203 42.059 0.092 0.000 1.552 371 L HN 0.189 nan 8.230 nan 0.000 0.431 372 A N -1.226 121.617 122.820 0.037 0.000 2.599 372 A HA 0.612 4.933 4.320 0.001 0.000 0.294 372 A C 0.435 178.039 177.584 0.033 0.000 1.055 372 A CA -0.006 52.049 52.037 0.030 0.000 0.683 372 A CB 0.730 19.736 19.000 0.010 0.000 1.278 372 A HN 0.228 nan 8.150 nan 0.000 0.412 373 G N 0.384 109.207 108.800 0.038 0.000 2.524 373 G HA2 0.381 4.341 3.960 0.001 0.000 0.210 373 G HA3 0.381 4.341 3.960 0.001 0.000 0.210 373 G C 1.012 175.939 174.900 0.045 0.000 1.187 373 G CA 0.718 45.843 45.100 0.041 0.000 0.825 373 G HN 1.783 nan 8.290 nan 0.000 0.558 374 G N 0.456 109.285 108.800 0.048 0.000 2.624 374 G HA2 0.382 4.343 3.960 0.001 0.000 0.292 374 G HA3 0.382 4.343 3.960 0.001 0.000 0.292 374 G C -0.952 173.981 174.900 0.054 0.000 0.777 374 G CA -0.008 45.134 45.100 0.071 0.000 1.883 374 G HN 0.264 nan 8.290 nan 0.000 0.505 375 V N 2.079 122.027 119.914 0.058 0.000 2.482 375 V HA 0.656 4.776 4.120 0.001 0.000 0.295 375 V C 0.363 176.424 176.094 -0.055 0.000 1.026 375 V CA -0.758 61.538 62.300 -0.006 0.000 0.856 375 V CB 1.312 33.119 31.823 -0.026 0.000 1.001 375 V HN 0.921 nan 8.190 nan 0.000 0.424 376 A N 4.725 127.449 122.820 -0.159 0.000 2.295 376 A HA 0.933 5.253 4.320 0.001 0.000 0.318 376 A C -0.809 176.590 177.584 -0.307 0.000 1.134 376 A CA -0.573 51.220 52.037 -0.408 0.000 0.827 376 A CB 1.679 20.393 19.000 -0.477 0.000 1.136 376 A HN 0.770 nan 8.150 nan 0.000 0.493 377 V N 2.858 122.555 119.914 -0.362 0.000 2.577 377 V HA 0.236 4.356 4.120 0.001 0.000 0.294 377 V C -0.842 175.086 176.094 -0.277 0.000 1.052 377 V CA -0.047 62.099 62.300 -0.257 0.000 0.891 377 V CB 1.362 33.075 31.823 -0.183 0.000 1.017 377 V HN 0.750 nan 8.190 nan 0.000 0.436 378 I N 5.062 125.453 120.570 -0.298 0.000 2.312 378 I HA 0.466 4.636 4.170 0.001 0.000 0.291 378 I C 0.473 176.389 176.117 -0.336 0.000 1.031 378 I CA -0.331 60.748 61.300 -0.368 0.000 1.293 378 I CB 0.834 38.497 38.000 -0.561 0.000 1.403 378 I HN 0.418 nan 8.210 nan 0.000 0.484 379 R N 5.867 126.211 120.500 -0.259 0.000 2.280 379 R HA 0.395 4.736 4.340 0.001 0.000 0.326 379 R C -0.808 175.381 176.300 -0.185 0.000 1.080 379 R CA -0.671 55.316 56.100 -0.188 0.000 1.002 379 R CB 1.191 31.418 30.300 -0.122 0.000 1.136 379 R HN 0.392 nan 8.270 nan 0.000 0.509 380 V N 2.549 122.341 119.914 -0.202 0.000 2.572 380 V HA 0.222 4.343 4.120 0.001 0.000 0.291 380 V C 1.055 177.137 176.094 -0.020 0.000 1.039 380 V CA -0.095 62.139 62.300 -0.111 0.000 1.055 380 V CB 1.122 32.922 31.823 -0.039 0.000 0.969 380 V HN 0.868 nan 8.190 nan 0.000 0.482 381 G N 2.705 111.516 108.800 0.019 0.000 2.473 381 G HA2 0.869 4.830 3.960 0.001 0.000 0.321 381 G HA3 0.869 4.830 3.960 0.001 0.000 0.321 381 G C -0.784 174.141 174.900 0.043 0.000 1.200 381 G CA -0.116 44.997 45.100 0.022 0.000 0.963 381 G HN 1.257 nan 8.290 nan 0.000 0.483 382 A N -0.752 122.086 122.820 0.031 0.000 2.586 382 A HA 0.761 5.082 4.320 0.001 0.000 0.291 382 A C 0.591 178.187 177.584 0.022 0.000 1.062 382 A CA 0.382 52.438 52.037 0.032 0.000 0.666 382 A CB 0.665 19.689 19.000 0.040 0.000 1.281 382 A HN 1.902 nan 8.150 nan 0.000 0.421 383 A N -0.118 122.714 122.820 0.019 0.000 2.016 383 A HA 0.442 4.762 4.320 0.001 0.000 0.217 383 A C 1.172 178.764 177.584 0.013 0.000 1.162 383 A CA 2.159 54.204 52.037 0.014 0.000 0.662 383 A CB -0.448 18.559 19.000 0.012 0.000 0.812 383 A HN 2.059 nan 8.150 nan 0.000 0.450 384 T N -4.435 110.129 114.554 0.016 0.000 2.906 384 T HA 0.511 4.862 4.350 0.001 0.000 0.295 384 T C 0.308 175.019 174.700 0.018 0.000 1.061 384 T CA -0.073 62.036 62.100 0.015 0.000 1.000 384 T CB 1.900 70.776 68.868 0.013 0.000 1.103 384 T HN 0.015 nan 8.240 nan 0.000 0.486 385 E N 1.338 121.548 120.200 0.016 0.000 2.058 385 E HA -0.106 4.245 4.350 0.001 0.000 0.194 385 E C 1.989 178.602 176.600 0.021 0.000 0.997 385 E CA 2.291 58.702 56.400 0.019 0.000 0.801 385 E CB -0.911 28.799 29.700 0.017 0.000 0.746 385 E HN 0.785 nan 8.360 nan 0.000 0.450 386 T N 0.305 114.870 114.554 0.018 0.000 2.684 386 T HA -0.197 4.153 4.350 0.001 0.000 0.267 386 T C 1.750 176.462 174.700 0.020 0.000 1.036 386 T CA 1.564 63.674 62.100 0.016 0.000 1.148 386 T CB -0.344 68.531 68.868 0.012 0.000 0.863 386 T HN 0.363 nan 8.240 nan 0.000 0.436 387 E N 0.404 120.616 120.200 0.021 0.000 2.051 387 E HA -0.139 4.211 4.350 0.001 0.000 0.192 387 E C 2.199 178.822 176.600 0.039 0.000 0.991 387 E CA 0.868 57.283 56.400 0.025 0.000 0.799 387 E CB -0.218 29.495 29.700 0.023 0.000 0.748 387 E HN 0.277 nan 8.360 nan 0.000 0.449 388 L N 1.887 123.134 121.223 0.041 0.000 1.990 388 L HA -0.233 4.108 4.340 0.001 0.000 0.213 388 L C 2.379 179.290 176.870 0.067 0.000 1.072 388 L CA 2.251 57.123 54.840 0.054 0.000 0.755 388 L CB -0.618 41.465 42.059 0.040 0.000 0.889 388 L HN 0.046 nan 8.230 nan 0.000 0.432 389 K N -1.014 119.418 120.400 0.054 0.000 2.113 389 K HA -0.292 4.029 4.320 0.001 0.000 0.208 389 K C 2.105 178.758 176.600 0.088 0.000 1.047 389 K CA 1.939 58.264 56.287 0.062 0.000 0.928 389 K CB -0.095 32.428 32.500 0.038 0.000 0.716 389 K HN 0.442 nan 8.250 nan 0.000 0.446 390 E N 0.834 121.077 120.200 0.071 0.000 2.076 390 E HA -0.117 4.234 4.350 0.001 0.000 0.190 390 E C 1.791 178.460 176.600 0.115 0.000 0.979 390 E CA 1.343 57.793 56.400 0.083 0.000 0.807 390 E CB 0.014 29.735 29.700 0.036 0.000 0.761 390 E HN 0.223 nan 8.360 nan 0.000 0.454 391 K N 0.618 121.074 120.400 0.094 0.000 2.009 391 K HA -0.228 4.092 4.320 0.001 0.000 0.210 391 K C 2.210 178.927 176.600 0.196 0.000 1.049 391 K CA 1.840 58.187 56.287 0.100 0.000 0.929 391 K CB -0.171 32.400 32.500 0.118 0.000 0.714 391 K HN -0.003 nan 8.250 nan 0.000 0.440 392 K N -0.367 120.163 120.400 0.216 0.000 2.044 392 K HA -0.289 4.031 4.320 0.001 0.000 0.210 392 K C 2.185 178.912 176.600 0.212 0.000 1.049 392 K CA 2.187 58.615 56.287 0.236 0.000 0.927 392 K CB -0.291 32.289 32.500 0.134 0.000 0.713 392 K HN 0.303 nan 8.250 nan 0.000 0.443 393 H N 0.286 119.410 119.070 0.090 0.000 2.352 393 H HA -0.036 4.521 4.556 0.001 0.000 0.299 393 H C 1.987 177.340 175.328 0.041 0.000 1.097 393 H CA 1.997 58.079 56.048 0.056 0.000 1.311 393 H CB 0.169 29.948 29.762 0.028 0.000 1.377 393 H HN 0.163 nan 8.280 nan 0.000 0.504 394 R N -0.952 119.564 120.500 0.027 0.000 2.091 394 R HA -0.147 4.194 4.340 0.001 0.000 0.238 394 R C 2.225 178.425 176.300 -0.167 0.000 1.136 394 R CA 1.620 57.659 56.100 -0.101 0.000 0.959 394 R CB -0.452 29.762 30.300 -0.143 0.000 0.856 394 R HN 0.328 nan 8.270 nan 0.000 0.437 395 F N 1.345 121.250 119.950 -0.074 0.000 2.069 395 F HA -0.228 4.300 4.527 0.001 0.000 0.298 395 F C 2.423 178.157 175.800 -0.110 0.000 1.113 395 F CA 1.594 59.549 58.000 -0.076 0.000 1.214 395 F CB -0.177 38.787 39.000 -0.060 0.000 0.978 395 F HN 0.083 nan 8.300 nan 0.000 0.474 396 E N -0.104 120.127 120.200 0.052 0.000 2.097 396 E HA -0.249 4.102 4.350 0.001 0.000 0.196 396 E C 1.734 178.255 176.600 -0.131 0.000 1.000 396 E CA 1.532 57.892 56.400 -0.068 0.000 0.804 396 E CB -0.339 29.274 29.700 -0.144 0.000 0.740 396 E HN 0.426 nan 8.360 nan 0.000 0.454 397 D N 0.554 120.821 120.400 -0.222 0.000 2.117 397 D HA -0.103 4.537 4.640 0.001 0.000 0.198 397 D C 1.988 178.236 176.300 -0.085 0.000 0.982 397 D CA 1.303 55.205 54.000 -0.163 0.000 0.828 397 D CB -0.330 40.377 40.800 -0.157 0.000 0.967 397 D HN 0.165 nan 8.370 nan 0.000 0.464 398 A N 0.876 123.649 122.820 -0.078 0.000 1.917 398 A HA -0.183 4.138 4.320 0.001 0.000 0.219 398 A C 2.419 179.991 177.584 -0.019 0.000 1.182 398 A CA 1.143 53.150 52.037 -0.051 0.000 0.633 398 A CB -0.859 18.104 19.000 -0.062 0.000 0.819 398 A HN 0.212 nan 8.150 nan 0.000 0.448 399 L N -0.389 120.832 121.223 -0.003 0.000 1.976 399 L HA -0.244 4.097 4.340 0.001 0.000 0.209 399 L C 2.465 179.326 176.870 -0.015 0.000 1.071 399 L CA 1.542 56.382 54.840 -0.001 0.000 0.746 399 L CB -0.842 41.218 42.059 0.001 0.000 0.890 399 L HN 0.419 nan 8.230 nan 0.000 0.432 400 N N 0.300 118.985 118.700 -0.026 0.000 2.096 400 N HA -0.262 4.478 4.740 0.001 0.000 0.195 400 N C 1.764 177.263 175.510 -0.018 0.000 1.017 400 N CA 1.837 54.873 53.050 -0.023 0.000 0.870 400 N CB -0.362 38.106 38.487 -0.031 0.000 1.024 400 N HN 0.415 nan 8.380 nan 0.000 0.434 401 A N 0.955 123.761 122.820 -0.022 0.000 1.845 401 A HA -0.146 4.175 4.320 0.001 0.000 0.215 401 A C 2.465 180.041 177.584 -0.013 0.000 1.195 401 A CA 2.307 54.333 52.037 -0.019 0.000 0.616 401 A CB -1.262 17.724 19.000 -0.025 0.000 0.832 401 A HN 0.349 nan 8.150 nan 0.000 0.443 402 T N 0.205 114.752 114.554 -0.011 0.000 2.624 402 T HA -0.222 4.129 4.350 0.001 0.000 0.268 402 T C 2.084 176.782 174.700 -0.004 0.000 1.041 402 T CA 1.621 63.718 62.100 -0.005 0.000 1.159 402 T CB -0.349 68.519 68.868 -0.000 0.000 0.863 402 T HN 0.374 nan 8.240 nan 0.000 0.434 403 R N 1.491 121.988 120.500 -0.006 0.000 2.097 403 R HA -0.029 4.311 4.340 0.001 0.000 0.236 403 R C 2.824 179.121 176.300 -0.004 0.000 1.135 403 R CA 1.784 57.882 56.100 -0.005 0.000 0.934 403 R CB -1.466 28.830 30.300 -0.007 0.000 0.846 403 R HN 0.508 nan 8.270 nan 0.000 0.431 404 A N 1.122 123.939 122.820 -0.005 0.000 1.978 404 A HA -0.083 4.238 4.320 0.001 0.000 0.220 404 A C 2.420 180.002 177.584 -0.003 0.000 1.170 404 A CA 1.950 53.984 52.037 -0.004 0.000 0.636 404 A CB -0.575 18.422 19.000 -0.005 0.000 0.810 404 A HN 0.403 nan 8.150 nan 0.000 0.448 405 A N -0.468 122.349 122.820 -0.004 0.000 1.858 405 A HA -0.036 4.285 4.320 0.001 0.000 0.216 405 A C 2.218 179.802 177.584 -0.001 0.000 1.190 405 A CA 1.872 53.907 52.037 -0.004 0.000 0.617 405 A CB -1.029 17.968 19.000 -0.005 0.000 0.827 405 A HN 0.440 nan 8.150 nan 0.000 0.443 406 V N 0.223 120.137 119.914 -0.000 0.000 2.407 406 V HA -0.280 3.841 4.120 0.001 0.000 0.248 406 V C 2.385 178.480 176.094 0.001 0.000 1.055 406 V CA 2.291 64.592 62.300 0.001 0.000 1.049 406 V CB -0.941 30.884 31.823 0.002 0.000 0.662 406 V HN 0.624 nan 8.190 nan 0.000 0.455 407 E N 0.202 120.402 120.200 0.001 0.000 2.001 407 E HA -0.198 4.153 4.350 0.001 0.000 0.195 407 E C 2.000 178.600 176.600 0.001 0.000 1.002 407 E CA 1.539 57.940 56.400 0.001 0.000 0.819 407 E CB -0.142 29.558 29.700 0.000 0.000 0.769 407 E HN 0.650 nan 8.360 nan 0.000 0.454 408 E N -0.136 120.065 120.200 0.001 0.000 2.474 408 E HA 0.194 4.544 4.350 0.001 0.000 0.195 408 E C 0.506 177.107 176.600 0.001 0.000 1.039 408 E CA 0.186 56.587 56.400 0.001 0.000 0.881 408 E CB 1.217 30.917 29.700 0.001 0.000 0.970 408 E HN 0.294 nan 8.360 nan 0.000 0.486 409 G N 1.470 110.271 108.800 0.001 0.000 2.447 409 G HA2 -0.149 3.812 3.960 0.001 0.000 0.220 409 G HA3 -0.149 3.812 3.960 0.001 0.000 0.220 409 G C -1.132 173.767 174.900 -0.001 0.000 1.261 409 G CA -0.618 44.483 45.100 0.001 0.000 1.000 409 G HN 0.119 nan 8.290 nan 0.000 0.515 410 I N 0.120 120.690 120.570 -0.001 0.000 2.802 410 I HA 0.674 4.845 4.170 0.001 0.000 0.298 410 I C 0.052 176.169 176.117 -0.001 0.000 1.176 410 I CA -1.087 60.211 61.300 -0.003 0.000 1.025 410 I CB 2.122 40.120 38.000 -0.004 0.000 1.243 410 I HN 1.149 nan 8.210 nan 0.000 0.424 411 V N 3.335 123.247 119.914 -0.004 0.000 3.160 411 V HA 0.722 4.842 4.120 0.001 0.000 0.310 411 V C -2.779 173.311 176.094 -0.006 0.000 1.181 411 V CA -2.143 60.157 62.300 -0.001 0.000 1.047 411 V CB 1.507 33.330 31.823 0.000 0.000 1.068 411 V HN 0.541 nan 8.190 nan 0.000 0.441 412 P HA 0.248 nan 4.420 nan 0.000 0.271 412 P C 0.230 177.518 177.300 -0.020 0.000 1.216 412 P CA 0.678 63.771 63.100 -0.010 0.000 0.771 412 P CB 1.015 32.715 31.700 0.000 0.000 0.864 413 G N 1.509 110.288 108.800 -0.035 0.000 2.582 413 G HA2 0.405 4.366 3.960 0.001 0.000 0.232 413 G HA3 0.405 4.366 3.960 0.001 0.000 0.232 413 G C 0.775 175.643 174.900 -0.053 0.000 1.458 413 G CA -0.259 44.816 45.100 -0.042 0.000 1.062 413 G HN 0.726 nan 8.290 nan 0.000 0.566 414 G N -1.808 106.956 108.800 -0.061 0.000 2.258 414 G HA2 0.191 4.152 3.960 0.001 0.000 0.274 414 G HA3 0.191 4.152 3.960 0.001 0.000 0.274 414 G C 1.566 176.441 174.900 -0.041 0.000 1.021 414 G CA 1.310 46.370 45.100 -0.066 0.000 0.798 414 G HN 2.434 nan 8.290 nan 0.000 0.507 415 G N -2.686 106.097 108.800 -0.028 0.000 2.189 415 G HA2 -0.279 3.682 3.960 0.001 0.000 0.267 415 G HA3 -0.279 3.682 3.960 0.001 0.000 0.267 415 G C 1.500 176.394 174.900 -0.010 0.000 0.975 415 G CA 1.299 46.390 45.100 -0.015 0.000 0.644 415 G HN 1.476 nan 8.290 nan 0.000 0.537 416 V N 0.487 120.391 119.914 -0.018 0.000 2.324 416 V HA -0.224 3.897 4.120 0.001 0.000 0.250 416 V C 2.911 179.010 176.094 0.008 0.000 1.060 416 V CA 3.244 65.539 62.300 -0.007 0.000 1.042 416 V CB -0.934 30.878 31.823 -0.019 0.000 0.650 416 V HN 0.676 nan 8.190 nan 0.000 0.450 417 T N -0.251 114.305 114.554 0.003 0.000 2.720 417 T HA -0.174 4.177 4.350 0.001 0.000 0.268 417 T C 1.718 176.424 174.700 0.011 0.000 1.037 417 T CA 1.857 63.962 62.100 0.009 0.000 1.144 417 T CB -0.240 68.630 68.868 0.004 0.000 0.864 417 T HN 0.332 nan 8.240 nan 0.000 0.444 418 L N 0.626 121.853 121.223 0.007 0.000 2.141 418 L HA 0.150 4.490 4.340 0.001 0.000 0.209 418 L C 2.507 179.386 176.870 0.014 0.000 1.094 418 L CA 1.016 55.861 54.840 0.009 0.000 0.763 418 L CB -0.662 41.400 42.059 0.006 0.000 0.908 418 L HN 0.274 nan 8.230 nan 0.000 0.437 419 L N -0.832 120.401 121.223 0.017 0.000 2.083 419 L HA -0.162 4.178 4.340 0.001 0.000 0.209 419 L C 2.640 179.528 176.870 0.029 0.000 1.083 419 L CA 0.829 55.683 54.840 0.024 0.000 0.752 419 L CB -0.459 41.618 42.059 0.029 0.000 0.899 419 L HN 0.243 nan 8.230 nan 0.000 0.433 420 R N 0.118 120.636 120.500 0.030 0.000 2.237 420 R HA -0.022 4.318 4.340 0.001 0.000 0.219 420 R C 2.117 178.432 176.300 0.025 0.000 1.080 420 R CA 1.088 57.208 56.100 0.033 0.000 0.995 420 R CB -0.741 29.580 30.300 0.035 0.000 0.875 420 R HN 0.322 nan 8.270 nan 0.000 0.462 421 A N 0.899 123.731 122.820 0.020 0.000 2.066 421 A HA -0.020 4.301 4.320 0.001 0.000 0.218 421 A C 2.174 179.767 177.584 0.016 0.000 1.157 421 A CA 0.516 52.563 52.037 0.016 0.000 0.670 421 A CB -0.340 18.668 19.000 0.013 0.000 0.804 421 A HN 0.153 nan 8.150 nan 0.000 0.453 422 I N 0.853 121.433 120.570 0.018 0.000 2.118 422 I HA -0.325 3.845 4.170 0.001 0.000 0.241 422 I C 2.907 179.034 176.117 0.017 0.000 1.070 422 I CA 1.797 63.107 61.300 0.017 0.000 1.327 422 I CB -0.472 37.539 38.000 0.020 0.000 1.034 422 I HN 0.502 nan 8.210 nan 0.000 0.405 423 S N 1.309 117.021 115.700 0.019 0.000 2.420 423 S HA -0.243 4.227 4.470 0.001 0.000 0.237 423 S C 2.108 176.717 174.600 0.014 0.000 1.023 423 S CA 1.139 59.349 58.200 0.017 0.000 0.991 423 S CB -0.705 62.507 63.200 0.020 0.000 0.792 423 S HN 0.475 nan 8.310 nan 0.000 0.488 424 A N 1.625 124.453 122.820 0.014 0.000 1.872 424 A HA 0.147 4.467 4.320 0.001 0.000 0.214 424 A C 2.442 180.032 177.584 0.010 0.000 1.187 424 A CA 1.394 53.438 52.037 0.012 0.000 0.614 424 A CB -1.060 17.947 19.000 0.012 0.000 0.826 424 A HN 0.472 nan 8.150 nan 0.000 0.442 425 V N 0.226 120.146 119.914 0.011 0.000 2.392 425 V HA -0.266 3.854 4.120 0.001 0.000 0.249 425 V C 2.513 178.612 176.094 0.009 0.000 1.059 425 V CA 2.422 64.728 62.300 0.010 0.000 1.051 425 V CB -0.912 30.916 31.823 0.010 0.000 0.658 425 V HN 0.667 nan 8.190 nan 0.000 0.455 426 E N 0.742 120.948 120.200 0.010 0.000 2.033 426 E HA -0.271 4.079 4.350 0.001 0.000 0.199 426 E C 2.155 178.760 176.600 0.009 0.000 1.011 426 E CA 1.836 58.242 56.400 0.010 0.000 0.815 426 E CB -0.333 29.374 29.700 0.011 0.000 0.755 426 E HN 0.561 nan 8.360 nan 0.000 0.451 427 E N -0.317 119.888 120.200 0.009 0.000 2.118 427 E HA -0.172 4.178 4.350 0.001 0.000 0.195 427 E C 1.925 178.529 176.600 0.007 0.000 0.992 427 E CA 1.035 57.440 56.400 0.008 0.000 0.804 427 E CB -0.465 29.240 29.700 0.008 0.000 0.741 427 E HN 0.317 nan 8.360 nan 0.000 0.458 428 L N 0.346 121.573 121.223 0.007 0.000 2.017 428 L HA -0.101 4.240 4.340 0.001 0.000 0.208 428 L C 2.081 178.954 176.870 0.006 0.000 1.073 428 L CA 1.680 56.524 54.840 0.007 0.000 0.745 428 L CB -0.636 41.427 42.059 0.007 0.000 0.894 428 L HN 0.239 nan 8.230 nan 0.000 0.432 429 I N -0.187 120.387 120.570 0.007 0.000 2.194 429 I HA -0.369 3.801 4.170 0.001 0.000 0.246 429 I C 2.376 178.496 176.117 0.006 0.000 1.093 429 I CA 1.686 62.990 61.300 0.006 0.000 1.355 429 I CB -0.507 37.497 38.000 0.007 0.000 1.046 429 I HN 0.304 nan 8.210 nan 0.000 0.413 430 K N 0.501 120.905 120.400 0.006 0.000 2.281 430 K HA -0.228 4.093 4.320 0.001 0.000 0.203 430 K C 1.882 178.484 176.600 0.005 0.000 1.046 430 K CA 1.096 57.386 56.287 0.005 0.000 0.938 430 K CB -0.127 32.376 32.500 0.005 0.000 0.737 430 K HN 0.049 nan 8.250 nan 0.000 0.458 431 K N 0.632 121.034 120.400 0.005 0.000 2.374 431 K HA 0.184 4.504 4.320 0.001 0.000 0.196 431 K C -0.084 176.519 176.600 0.005 0.000 1.023 431 K CA 0.114 56.403 56.287 0.005 0.000 1.103 431 K CB 0.401 32.904 32.500 0.005 0.000 0.848 431 K HN -0.048 nan 8.250 nan 0.000 0.528 432 L N 0.327 121.553 121.223 0.005 0.000 2.332 432 L HA 0.469 4.810 4.340 0.001 0.000 0.269 432 L C 0.054 176.926 176.870 0.005 0.000 1.016 432 L CA -0.781 54.062 54.840 0.005 0.000 0.809 432 L CB 1.830 43.892 42.059 0.005 0.000 1.280 432 L HN 0.047 nan 8.230 nan 0.000 0.447 433 E N -0.693 119.510 120.200 0.005 0.000 2.440 433 E HA 0.529 4.879 4.350 0.001 0.000 0.263 433 E C -0.108 176.495 176.600 0.005 0.000 0.938 433 E CA -0.363 56.040 56.400 0.005 0.000 0.831 433 E CB 1.646 31.348 29.700 0.004 0.000 1.456 433 E HN 0.725 nan 8.360 nan 0.000 0.427 434 G N 1.133 109.936 108.800 0.005 0.000 2.568 434 G HA2 -0.365 3.596 3.960 0.001 0.000 0.334 434 G HA3 -0.365 3.596 3.960 0.001 0.000 0.334 434 G C 0.406 175.309 174.900 0.005 0.000 1.348 434 G CA 0.698 45.801 45.100 0.005 0.000 0.949 434 G HN 0.702 nan 8.290 nan 0.000 0.532 435 D N 0.106 120.509 120.400 0.006 0.000 2.218 435 D HA -0.060 4.581 4.640 0.001 0.000 0.204 435 D C 2.119 178.423 176.300 0.006 0.000 0.976 435 D CA 1.351 55.354 54.000 0.006 0.000 0.853 435 D CB -0.170 40.634 40.800 0.007 0.000 0.939 435 D HN 0.666 nan 8.370 nan 0.000 0.481 436 E N 0.518 120.721 120.200 0.006 0.000 2.118 436 E HA -0.162 4.189 4.350 0.001 0.000 0.195 436 E C 2.016 178.620 176.600 0.006 0.000 0.992 436 E CA 0.969 57.373 56.400 0.006 0.000 0.804 436 E CB 0.086 29.789 29.700 0.005 0.000 0.741 436 E HN 0.181 nan 8.360 nan 0.000 0.458 437 A N 0.030 122.853 122.820 0.006 0.000 1.930 437 A HA -0.142 4.179 4.320 0.001 0.000 0.217 437 A C 2.323 179.910 177.584 0.006 0.000 1.175 437 A CA 1.783 53.824 52.037 0.006 0.000 0.627 437 A CB -0.741 18.262 19.000 0.005 0.000 0.815 437 A HN 0.263 nan 8.150 nan 0.000 0.443 438 T N -0.046 114.511 114.554 0.006 0.000 2.684 438 T HA -0.075 4.275 4.350 0.001 0.000 0.267 438 T C 2.013 176.717 174.700 0.006 0.000 1.036 438 T CA 1.547 63.651 62.100 0.006 0.000 1.148 438 T CB -0.762 68.110 68.868 0.006 0.000 0.863 438 T HN 0.590 nan 8.240 nan 0.000 0.436 439 G N 1.366 110.170 108.800 0.006 0.000 2.476 439 G HA2 -0.167 3.794 3.960 0.001 0.000 0.218 439 G HA3 -0.167 3.794 3.960 0.001 0.000 0.218 439 G C 1.851 176.755 174.900 0.006 0.000 1.164 439 G CA 1.168 46.272 45.100 0.006 0.000 0.768 439 G HN 0.601 nan 8.290 nan 0.000 0.560 440 A N 0.916 123.739 122.820 0.006 0.000 1.883 440 A HA -0.096 4.224 4.320 0.001 0.000 0.217 440 A C 2.311 179.899 177.584 0.007 0.000 1.186 440 A CA 2.190 54.231 52.037 0.007 0.000 0.624 440 A CB -0.489 18.515 19.000 0.007 0.000 0.822 440 A HN 0.410 nan 8.150 nan 0.000 0.444 441 K N -0.442 119.962 120.400 0.007 0.000 2.113 441 K HA -0.147 4.174 4.320 0.001 0.000 0.208 441 K C 1.803 178.408 176.600 0.007 0.000 1.047 441 K CA 1.624 57.916 56.287 0.007 0.000 0.928 441 K CB -0.488 32.017 32.500 0.007 0.000 0.716 441 K HN 0.587 nan 8.250 nan 0.000 0.446 442 I N 0.657 121.231 120.570 0.007 0.000 2.163 442 I HA -0.307 3.864 4.170 0.001 0.000 0.243 442 I C 2.263 178.384 176.117 0.007 0.000 1.085 442 I CA 1.254 62.559 61.300 0.007 0.000 1.347 442 I CB -0.446 37.558 38.000 0.007 0.000 1.044 442 I HN -0.040 nan 8.210 nan 0.000 0.408 443 V N 0.800 120.718 119.914 0.007 0.000 2.295 443 V HA -0.291 3.830 4.120 0.001 0.000 0.246 443 V C 2.643 178.742 176.094 0.008 0.000 1.049 443 V CA 2.004 64.309 62.300 0.007 0.000 1.024 443 V CB -0.834 30.994 31.823 0.007 0.000 0.648 443 V HN 0.429 nan 8.190 nan 0.000 0.447 444 R N 0.150 120.655 120.500 0.009 0.000 2.119 444 R HA -0.283 4.057 4.340 0.001 0.000 0.246 444 R C 2.424 178.730 176.300 0.010 0.000 1.146 444 R CA 2.321 58.427 56.100 0.010 0.000 0.962 444 R CB -0.213 30.093 30.300 0.010 0.000 0.863 444 R HN 0.405 nan 8.270 nan 0.000 0.442 445 R N 0.386 120.891 120.500 0.009 0.000 2.055 445 R HA 0.063 4.404 4.340 0.001 0.000 0.226 445 R C 2.059 178.364 176.300 0.009 0.000 1.135 445 R CA 1.893 57.999 56.100 0.009 0.000 0.959 445 R CB -0.941 29.364 30.300 0.008 0.000 0.854 445 R HN 0.272 nan 8.270 nan 0.000 0.431 446 A N 1.211 124.035 122.820 0.008 0.000 1.927 446 A HA -0.184 4.136 4.320 0.001 0.000 0.220 446 A C 2.267 179.855 177.584 0.008 0.000 1.185 446 A CA 1.907 53.949 52.037 0.007 0.000 0.639 446 A CB -0.980 18.024 19.000 0.007 0.000 0.820 446 A HN 0.413 nan 8.150 nan 0.000 0.451 447 L N -0.806 120.422 121.223 0.009 0.000 2.357 447 L HA -0.252 4.088 4.340 0.001 0.000 0.220 447 L C 2.309 179.185 176.870 0.009 0.000 1.123 447 L CA 1.628 56.474 54.840 0.009 0.000 0.782 447 L CB -0.537 41.528 42.059 0.011 0.000 0.910 447 L HN 0.544 nan 8.230 nan 0.000 0.442 448 E N -1.017 119.188 120.200 0.010 0.000 2.318 448 E HA -0.121 4.229 4.350 0.001 0.000 0.193 448 E C 1.889 178.493 176.600 0.008 0.000 0.998 448 E CA -0.047 56.359 56.400 0.010 0.000 0.859 448 E CB 0.142 29.848 29.700 0.011 0.000 0.812 448 E HN 0.318 nan 8.360 nan 0.000 0.492 449 E N 0.773 120.978 120.200 0.007 0.000 2.049 449 E HA -0.161 4.189 4.350 0.001 0.000 0.198 449 E C -0.700 175.904 176.600 0.006 0.000 1.007 449 E CA 1.436 57.840 56.400 0.007 0.000 0.809 449 E CB -1.445 28.259 29.700 0.006 0.000 0.749 449 E HN 0.235 nan 8.360 nan 0.000 0.450 450 P HA -0.156 nan 4.420 nan 0.000 0.213 450 P C 1.310 178.611 177.300 0.002 0.000 1.170 450 P CA 2.382 65.483 63.100 0.002 0.000 0.898 450 P CB -0.221 31.479 31.700 0.000 0.000 0.787 451 A N -0.146 122.674 122.820 0.000 0.000 1.873 451 A HA -0.286 4.034 4.320 0.001 0.000 0.218 451 A C 2.306 179.892 177.584 0.003 0.000 1.193 451 A CA 1.936 53.972 52.037 -0.001 0.000 0.629 451 A CB -1.303 17.696 19.000 -0.002 0.000 0.826 451 A HN 0.021 nan 8.150 nan 0.000 0.447 452 R N -1.243 119.259 120.500 0.004 0.000 2.103 452 R HA -0.173 4.168 4.340 0.001 0.000 0.234 452 R C 2.482 178.793 176.300 0.019 0.000 1.132 452 R CA 1.703 57.807 56.100 0.007 0.000 0.925 452 R CB -0.455 29.850 30.300 0.008 0.000 0.842 452 R HN 0.545 nan 8.270 nan 0.000 0.430 453 Q N 0.453 120.263 119.800 0.017 0.000 2.181 453 Q HA -0.136 4.204 4.340 0.001 0.000 0.205 453 Q C 2.161 178.179 176.000 0.031 0.000 0.980 453 Q CA 1.310 57.127 55.803 0.022 0.000 0.862 453 Q CB -0.223 28.524 28.738 0.015 0.000 0.905 453 Q HN 0.453 nan 8.270 nan 0.000 0.429 454 I N 0.165 120.750 120.570 0.025 0.000 2.090 454 I HA -0.301 3.870 4.170 0.001 0.000 0.236 454 I C 2.357 178.512 176.117 0.063 0.000 1.064 454 I CA 1.180 62.496 61.300 0.026 0.000 1.324 454 I CB -0.564 37.440 38.000 0.006 0.000 1.044 454 I HN 0.085 nan 8.210 nan 0.000 0.399 455 A N 0.283 123.149 122.820 0.077 0.000 1.892 455 A HA -0.305 4.016 4.320 0.001 0.000 0.218 455 A C 2.172 179.869 177.584 0.189 0.000 1.188 455 A CA 2.271 54.386 52.037 0.130 0.000 0.631 455 A CB -0.701 18.305 19.000 0.011 0.000 0.822 455 A HN 0.435 nan 8.150 nan 0.000 0.447 456 E N 0.570 120.837 120.200 0.111 0.000 2.033 456 E HA -0.196 4.154 4.350 0.001 0.000 0.199 456 E C 1.759 178.421 176.600 0.103 0.000 1.011 456 E CA 2.013 58.471 56.400 0.097 0.000 0.815 456 E CB -0.544 29.188 29.700 0.052 0.000 0.755 456 E HN 0.763 nan 8.360 nan 0.000 0.451 457 N N -0.569 118.179 118.700 0.080 0.000 2.430 457 N HA -0.168 4.573 4.740 0.001 0.000 0.186 457 N C 1.317 176.886 175.510 0.098 0.000 1.032 457 N CA 0.553 53.643 53.050 0.067 0.000 0.893 457 N CB -0.095 38.418 38.487 0.044 0.000 0.957 457 N HN 0.195 nan 8.380 nan 0.000 0.442 458 A N 0.441 123.363 122.820 0.170 0.000 2.123 458 A HA 0.305 4.625 4.320 0.001 0.000 0.214 458 A C 1.512 179.286 177.584 0.316 0.000 1.152 458 A CA 0.843 53.036 52.037 0.261 0.000 0.728 458 A CB 0.048 19.239 19.000 0.319 0.000 0.814 458 A HN 0.307 nan 8.150 nan 0.000 0.464 459 G N -2.404 106.526 108.800 0.217 0.000 2.145 459 G HA2 -0.170 3.791 3.960 0.001 0.000 0.176 459 G HA3 -0.170 3.791 3.960 0.001 0.000 0.176 459 G C -0.294 174.489 174.900 -0.196 0.000 1.013 459 G CA 0.082 45.176 45.100 -0.009 0.000 0.689 459 G HN 0.383 nan 8.290 nan 0.000 0.506 460 Y N -0.581 119.735 120.300 0.028 0.000 2.659 460 Y HA 0.706 5.257 4.550 0.001 0.000 0.333 460 Y C 0.290 176.167 175.900 -0.038 0.000 1.064 460 Y CA -1.462 56.631 58.100 -0.011 0.000 1.141 460 Y CB 0.902 39.331 38.460 -0.051 0.000 1.316 460 Y HN -0.047 nan 8.280 nan 0.000 0.509 461 E N 0.826 121.089 120.200 0.106 0.000 1.996 461 E HA 0.178 4.529 4.350 0.001 0.000 0.280 461 E C 0.918 177.526 176.600 0.013 0.000 1.092 461 E CA -0.004 56.419 56.400 0.039 0.000 0.862 461 E CB 0.983 30.694 29.700 0.019 0.000 1.066 461 E HN 0.928 nan 8.360 nan 0.000 0.396 462 G N 3.058 111.868 108.800 0.017 0.000 2.681 462 G HA2 -0.382 3.578 3.960 0.001 0.000 0.220 462 G HA3 -0.382 3.578 3.960 0.001 0.000 0.220 462 G C 1.555 176.450 174.900 -0.008 0.000 1.210 462 G CA 1.241 46.342 45.100 0.001 0.000 0.783 462 G HN 0.499 nan 8.290 nan 0.000 0.609 463 S N -0.078 115.622 115.700 0.001 0.000 2.374 463 S HA -0.151 4.319 4.470 0.001 0.000 0.227 463 S C 2.466 177.067 174.600 0.002 0.000 1.037 463 S CA 1.305 59.506 58.200 0.003 0.000 1.024 463 S CB -0.456 62.746 63.200 0.004 0.000 0.861 463 S HN 0.215 nan 8.310 nan 0.000 0.456 464 V N 2.185 122.098 119.914 -0.002 0.000 2.220 464 V HA -0.209 3.911 4.120 0.001 0.000 0.246 464 V C 2.139 178.237 176.094 0.006 0.000 1.049 464 V CA 1.862 64.162 62.300 -0.000 0.000 1.003 464 V CB -0.673 31.152 31.823 0.003 0.000 0.634 464 V HN 0.437 nan 8.190 nan 0.000 0.444 465 I N -0.313 120.239 120.570 -0.030 0.000 2.118 465 I HA -0.259 3.911 4.170 0.001 0.000 0.241 465 I C 2.398 178.550 176.117 0.060 0.000 1.070 465 I CA 1.531 62.815 61.300 -0.027 0.000 1.327 465 I CB -0.521 37.239 38.000 -0.400 0.000 1.034 465 I HN 0.153 nan 8.210 nan 0.000 0.405 466 V N 0.392 120.312 119.914 0.010 0.000 2.380 466 V HA -0.312 3.809 4.120 0.001 0.000 0.251 466 V C 2.526 178.657 176.094 0.060 0.000 1.063 466 V CA 1.684 64.005 62.300 0.034 0.000 1.055 466 V CB -0.701 31.131 31.823 0.016 0.000 0.657 466 V HN 0.470 nan 8.190 nan 0.000 0.455 467 Q N -0.417 119.412 119.800 0.047 0.000 2.046 467 Q HA -0.230 4.111 4.340 0.001 0.000 0.200 467 Q C 2.271 178.304 176.000 0.056 0.000 0.975 467 Q CA 1.843 57.670 55.803 0.040 0.000 0.836 467 Q CB -0.470 28.278 28.738 0.017 0.000 0.896 467 Q HN 0.743 nan 8.270 nan 0.000 0.428 468 Q N 0.052 119.883 119.800 0.051 0.000 2.170 468 Q HA -0.113 4.228 4.340 0.001 0.000 0.203 468 Q C 2.078 178.191 176.000 0.189 0.000 0.976 468 Q CA 0.831 56.636 55.803 0.002 0.000 0.858 468 Q CB 0.001 28.549 28.738 -0.316 0.000 0.907 468 Q HN 0.357 nan 8.270 nan 0.000 0.433 469 I N 0.156 120.895 120.570 0.280 0.000 2.133 469 I HA -0.302 3.869 4.170 0.001 0.000 0.238 469 I C 2.023 178.282 176.117 0.237 0.000 1.074 469 I CA 0.996 62.468 61.300 0.286 0.000 1.342 469 I CB -0.214 37.883 38.000 0.162 0.000 1.053 469 I HN 0.250 nan 8.210 nan 0.000 0.404 470 L N 0.537 121.846 121.223 0.143 0.000 2.450 470 L HA -0.166 4.175 4.340 0.001 0.000 0.224 470 L C 2.606 179.531 176.870 0.092 0.000 1.149 470 L CA 0.712 55.613 54.840 0.102 0.000 0.816 470 L CB -0.587 41.511 42.059 0.065 0.000 0.932 470 L HN 0.252 nan 8.230 nan 0.000 0.449 471 A N -0.199 122.683 122.820 0.103 0.000 1.832 471 A HA -0.169 4.151 4.320 0.001 0.000 0.214 471 A C 1.340 178.952 177.584 0.047 0.000 1.204 471 A CA 0.557 52.629 52.037 0.058 0.000 0.606 471 A CB -0.347 18.673 19.000 0.035 0.000 0.849 471 A HN 0.333 nan 8.150 nan 0.000 0.445 472 E N 1.130 121.372 120.200 0.070 0.000 2.081 472 E HA 0.189 4.540 4.350 0.001 0.000 0.270 472 E C 0.124 176.741 176.600 0.028 0.000 1.180 472 E CA 0.427 56.800 56.400 -0.046 0.000 0.926 472 E CB 0.168 29.652 29.700 -0.360 0.000 1.035 472 E HN 0.455 nan 8.360 nan 0.000 0.418 473 T N 1.035 115.593 114.554 0.008 0.000 3.243 473 T HA 0.218 4.569 4.350 0.001 0.000 0.264 473 T C 0.772 175.476 174.700 0.007 0.000 1.000 473 T CA -0.430 61.687 62.100 0.027 0.000 0.901 473 T CB 0.224 69.107 68.868 0.025 0.000 1.083 473 T HN 0.284 nan 8.240 nan 0.000 0.559 474 K N 1.525 121.914 120.400 -0.019 0.000 2.044 474 K HA 0.099 4.420 4.320 0.001 0.000 0.204 474 K C 0.729 177.329 176.600 0.000 0.000 1.045 474 K CA 0.595 56.870 56.287 -0.021 0.000 0.951 474 K CB -0.032 32.438 32.500 -0.050 0.000 0.738 474 K HN 0.321 nan 8.250 nan 0.000 0.443 475 N N 1.288 119.993 118.700 0.009 0.000 2.518 475 N HA 0.115 4.855 4.740 0.001 0.000 0.254 475 N C -2.168 173.400 175.510 0.096 0.000 0.979 475 N CA -2.269 50.808 53.050 0.044 0.000 0.930 475 N CB 1.451 39.962 38.487 0.040 0.000 1.152 475 N HN -0.192 nan 8.380 nan 0.000 0.505 476 P HA -0.166 nan 4.420 nan 0.000 0.222 476 P C 0.488 177.850 177.300 0.104 0.000 1.142 476 P CA 0.996 64.150 63.100 0.090 0.000 0.788 476 P CB 0.339 32.072 31.700 0.056 0.000 0.767 477 R N -1.907 118.655 120.500 0.103 0.000 2.339 477 R HA -0.034 4.307 4.340 0.001 0.000 0.199 477 R C 0.711 177.097 176.300 0.143 0.000 1.018 477 R CA -0.107 56.049 56.100 0.093 0.000 1.036 477 R CB -0.607 29.736 30.300 0.072 0.000 0.899 477 R HN 0.219 nan 8.270 nan 0.000 0.473 478 Y N 0.965 121.295 120.300 0.051 0.000 2.496 478 Y HA 0.280 4.830 4.550 0.001 0.000 0.334 478 Y C 0.491 176.454 175.900 0.104 0.000 1.080 478 Y CA 0.105 58.256 58.100 0.086 0.000 1.355 478 Y CB 0.515 39.035 38.460 0.100 0.000 1.193 478 Y HN 0.040 nan 8.280 nan 0.000 0.523 479 G N 4.615 113.203 108.800 -0.354 0.000 2.721 479 G HA2 0.377 4.338 3.960 0.001 0.000 0.296 479 G HA3 0.377 4.338 3.960 0.001 0.000 0.296 479 G C -2.274 172.341 174.900 -0.475 0.000 1.383 479 G CA -0.933 43.969 45.100 -0.329 0.000 0.788 479 G HN 0.477 nan 8.290 nan 0.000 0.500 480 F N 1.480 121.039 119.950 -0.652 0.000 2.427 480 F HA 0.546 5.073 4.527 0.001 0.000 0.346 480 F C 0.096 175.569 175.800 -0.545 0.000 1.120 480 F CA -1.612 55.838 58.000 -0.918 0.000 1.033 480 F CB 1.801 40.150 39.000 -1.086 0.000 1.126 480 F HN 0.302 nan 8.300 nan 0.000 0.462 481 N N 5.120 123.129 118.700 -1.152 0.000 2.868 481 N HA 0.154 4.895 4.740 0.001 0.000 0.252 481 N C 0.703 175.480 175.510 -1.222 0.000 1.130 481 N CA 0.371 52.904 53.050 -0.861 0.000 1.026 481 N CB 0.892 39.052 38.487 -0.545 0.000 1.335 481 N HN 0.808 nan 8.380 nan 0.000 0.516 482 A N 2.476 124.689 122.820 -1.011 0.000 2.285 482 A HA -0.075 4.246 4.320 0.001 0.000 0.214 482 A C 1.809 179.150 177.584 -0.406 0.000 1.188 482 A CA 1.664 53.273 52.037 -0.714 0.000 0.707 482 A CB -0.204 18.654 19.000 -0.236 0.000 0.771 482 A HN 0.649 nan 8.150 nan 0.000 0.488 483 A N -1.175 121.423 122.820 -0.369 0.000 2.014 483 A HA 0.161 4.482 4.320 0.001 0.000 0.210 483 A C 2.161 179.652 177.584 -0.156 0.000 1.188 483 A CA 1.665 53.587 52.037 -0.191 0.000 0.731 483 A CB -0.353 18.554 19.000 -0.154 0.000 0.858 483 A HN 0.718 nan 8.150 nan 0.000 0.464 484 T N -5.314 109.098 114.554 -0.237 0.000 2.990 484 T HA 0.410 4.761 4.350 0.001 0.000 0.250 484 T C 1.288 175.914 174.700 -0.123 0.000 1.041 484 T CA 1.170 63.184 62.100 -0.144 0.000 1.010 484 T CB 0.230 69.014 68.868 -0.140 0.000 1.003 484 T HN 1.679 nan 8.240 nan 0.000 0.499 485 G N 1.356 109.956 108.800 -0.333 0.000 2.182 485 G HA2 -0.163 3.797 3.960 0.001 0.000 0.248 485 G HA3 -0.163 3.797 3.960 0.001 0.000 0.248 485 G C -0.445 174.445 174.900 -0.016 0.000 1.042 485 G CA 0.041 45.030 45.100 -0.185 0.000 0.775 485 G HN 0.694 nan 8.290 nan 0.000 0.501 486 E N -1.129 118.906 120.200 -0.276 0.000 2.340 486 E HA 0.578 4.929 4.350 0.001 0.000 0.273 486 E C -0.807 175.740 176.600 -0.089 0.000 0.891 486 E CA -1.069 55.340 56.400 0.016 0.000 0.757 486 E CB 1.409 31.128 29.700 0.031 0.000 1.231 486 E HN 0.048 nan 8.360 nan 0.000 0.439 487 F N 1.777 121.779 119.950 0.086 0.000 2.427 487 F HA 0.288 4.816 4.527 0.001 0.000 0.352 487 F C 0.623 176.440 175.800 0.027 0.000 1.100 487 F CA -0.259 57.740 58.000 -0.002 0.000 1.191 487 F CB 0.880 39.904 39.000 0.039 0.000 1.128 487 F HN 0.199 nan 8.300 nan 0.000 0.533 488 V N -0.744 119.191 119.914 0.036 0.000 3.203 488 V HA 0.473 4.594 4.120 0.001 0.000 0.305 488 V C -1.125 175.039 176.094 0.117 0.000 1.361 488 V CA -1.144 61.220 62.300 0.107 0.000 1.066 488 V CB 1.824 33.647 31.823 -0.002 0.000 1.085 488 V HN 0.558 nan 8.190 nan 0.000 0.456 489 D N 1.515 121.988 120.400 0.121 0.000 2.393 489 D HA 0.199 4.840 4.640 0.001 0.000 0.232 489 D C 1.216 177.534 176.300 0.029 0.000 1.192 489 D CA -0.384 53.681 54.000 0.108 0.000 0.882 489 D CB 1.324 42.179 40.800 0.091 0.000 1.038 489 D HN 0.527 nan 8.370 nan 0.000 0.499 490 M N 3.093 122.694 119.600 0.001 0.000 2.089 490 M HA -0.196 4.285 4.480 0.001 0.000 0.257 490 M C 2.034 178.320 176.300 -0.024 0.000 1.071 490 M CA 1.152 56.429 55.300 -0.038 0.000 1.096 490 M CB -0.967 31.606 32.600 -0.046 0.000 1.330 490 M HN 0.315 nan 8.290 nan 0.000 0.403 491 V N 0.012 119.925 119.914 -0.003 0.000 2.237 491 V HA -0.259 3.862 4.120 0.001 0.000 0.245 491 V C 2.403 178.495 176.094 -0.003 0.000 1.046 491 V CA 2.171 64.470 62.300 -0.002 0.000 1.007 491 V CB -0.842 30.986 31.823 0.008 0.000 0.638 491 V HN 0.521 nan 8.190 nan 0.000 0.445 492 E N 0.275 120.479 120.200 0.007 0.000 2.171 492 E HA -0.250 4.101 4.350 0.001 0.000 0.197 492 E C 2.031 178.627 176.600 -0.006 0.000 0.997 492 E CA 1.428 57.831 56.400 0.006 0.000 0.810 492 E CB -0.194 29.517 29.700 0.018 0.000 0.738 492 E HN 0.585 nan 8.360 nan 0.000 0.467 493 A N -0.092 122.718 122.820 -0.016 0.000 2.167 493 A HA 0.160 4.481 4.320 0.001 0.000 0.214 493 A C 1.753 179.312 177.584 -0.041 0.000 1.151 493 A CA 1.070 53.087 52.037 -0.034 0.000 0.735 493 A CB -0.379 18.586 19.000 -0.057 0.000 0.802 493 A HN 0.498 nan 8.150 nan 0.000 0.467 494 G N -1.040 107.740 108.800 -0.033 0.000 2.136 494 G HA2 -0.205 3.756 3.960 0.001 0.000 0.242 494 G HA3 -0.205 3.756 3.960 0.001 0.000 0.242 494 G C 0.067 174.939 174.900 -0.046 0.000 0.989 494 G CA 0.210 45.289 45.100 -0.034 0.000 0.682 494 G HN 0.527 nan 8.290 nan 0.000 0.522 495 I N 1.531 122.069 120.570 -0.054 0.000 2.317 495 I HA 0.431 4.601 4.170 0.001 0.000 0.286 495 I C 0.634 176.721 176.117 -0.051 0.000 1.119 495 I CA -0.899 60.361 61.300 -0.066 0.000 1.228 495 I CB 0.681 38.623 38.000 -0.097 0.000 1.476 495 I HN 0.157 nan 8.210 nan 0.000 0.514 496 V N 0.766 120.656 119.914 -0.040 0.000 3.001 496 V HA 0.702 4.823 4.120 0.001 0.000 0.314 496 V C -0.889 175.189 176.094 -0.028 0.000 1.099 496 V CA -0.674 61.608 62.300 -0.029 0.000 0.989 496 V CB 2.704 34.515 31.823 -0.020 0.000 1.040 496 V HN 0.253 nan 8.190 nan 0.000 0.434 497 D N 1.452 121.840 120.400 -0.021 0.000 2.671 497 D HA 0.493 5.134 4.640 0.001 0.000 0.232 497 D C -3.044 173.248 176.300 -0.013 0.000 1.114 497 D CA -1.318 52.671 54.000 -0.019 0.000 0.858 497 D CB 2.642 43.431 40.800 -0.019 0.000 1.544 497 D HN 0.482 nan 8.370 nan 0.000 0.471 498 P HA 0.059 nan 4.420 nan 0.000 0.264 498 P C 0.490 177.786 177.300 -0.006 0.000 1.229 498 P CA -0.054 63.041 63.100 -0.008 0.000 0.780 498 P CB 0.655 32.350 31.700 -0.009 0.000 0.808 499 A N 5.051 127.869 122.820 -0.003 0.000 2.054 499 A HA -0.261 4.059 4.320 0.001 0.000 0.223 499 A C 2.220 179.804 177.584 -0.001 0.000 1.169 499 A CA 1.788 53.824 52.037 -0.001 0.000 0.655 499 A CB -0.982 18.018 19.000 0.000 0.000 0.812 499 A HN 0.514 nan 8.150 nan 0.000 0.462 500 K N -0.095 120.304 120.400 -0.001 0.000 2.002 500 K HA -0.136 4.185 4.320 0.001 0.000 0.209 500 K C 2.031 178.630 176.600 -0.001 0.000 1.048 500 K CA 1.956 58.243 56.287 -0.000 0.000 0.930 500 K CB -0.455 32.044 32.500 -0.001 0.000 0.714 500 K HN 0.479 nan 8.250 nan 0.000 0.438 501 V N -0.935 118.978 119.914 -0.002 0.000 2.295 501 V HA -0.216 3.904 4.120 0.001 0.000 0.246 501 V C 2.043 178.137 176.094 -0.001 0.000 1.049 501 V CA 2.315 64.614 62.300 -0.002 0.000 1.024 501 V CB -1.371 30.449 31.823 -0.004 0.000 0.648 501 V HN 0.264 nan 8.190 nan 0.000 0.447 502 T N 0.478 115.031 114.554 -0.002 0.000 2.580 502 T HA -0.273 4.077 4.350 0.001 0.000 0.265 502 T C 2.006 176.707 174.700 0.001 0.000 1.063 502 T CA 2.706 64.806 62.100 -0.001 0.000 1.170 502 T CB -0.465 68.402 68.868 -0.001 0.000 0.863 502 T HN 0.611 nan 8.240 nan 0.000 0.418 503 R N 0.671 121.172 120.500 0.002 0.000 2.113 503 R HA -0.161 4.179 4.340 0.001 0.000 0.244 503 R C 2.581 178.883 176.300 0.003 0.000 1.142 503 R CA 2.107 58.209 56.100 0.003 0.000 0.953 503 R CB -0.492 29.810 30.300 0.003 0.000 0.860 503 R HN 0.295 nan 8.270 nan 0.000 0.438 504 S N 0.479 116.181 115.700 0.003 0.000 2.351 504 S HA -0.168 4.303 4.470 0.001 0.000 0.220 504 S C 2.080 176.683 174.600 0.004 0.000 1.035 504 S CA 1.245 59.447 58.200 0.003 0.000 1.031 504 S CB -0.536 62.666 63.200 0.003 0.000 0.928 504 S HN 0.607 nan 8.310 nan 0.000 0.433 505 A N 1.822 124.644 122.820 0.004 0.000 1.896 505 A HA -0.191 4.130 4.320 0.001 0.000 0.220 505 A C 2.178 179.765 177.584 0.004 0.000 1.206 505 A CA 2.049 54.089 52.037 0.004 0.000 0.647 505 A CB -1.061 17.940 19.000 0.003 0.000 0.828 505 A HN 0.429 nan 8.150 nan 0.000 0.455 506 L N -0.172 121.053 121.223 0.004 0.000 1.989 506 L HA -0.222 4.119 4.340 0.001 0.000 0.211 506 L C 2.445 179.318 176.870 0.005 0.000 1.071 506 L CA 2.608 57.450 54.840 0.004 0.000 0.749 506 L CB -1.114 40.948 42.059 0.005 0.000 0.890 506 L HN 0.562 nan 8.230 nan 0.000 0.431 507 Q N -0.585 119.217 119.800 0.004 0.000 2.124 507 Q HA -0.187 4.154 4.340 0.001 0.000 0.202 507 Q C 1.940 177.942 176.000 0.004 0.000 0.977 507 Q CA 1.635 57.441 55.803 0.004 0.000 0.850 507 Q CB -0.278 28.463 28.738 0.004 0.000 0.901 507 Q HN 0.621 nan 8.270 nan 0.000 0.429 508 N N 0.402 119.105 118.700 0.005 0.000 2.171 508 N HA -0.069 4.671 4.740 0.001 0.000 0.184 508 N C 1.674 177.187 175.510 0.004 0.000 1.021 508 N CA 1.184 54.237 53.050 0.005 0.000 0.854 508 N CB -0.250 38.240 38.487 0.005 0.000 0.994 508 N HN 0.206 nan 8.380 nan 0.000 0.426 509 A N 1.386 124.208 122.820 0.005 0.000 1.845 509 A HA 0.005 4.325 4.320 0.001 0.000 0.215 509 A C 2.331 179.918 177.584 0.004 0.000 1.195 509 A CA 2.081 54.120 52.037 0.004 0.000 0.616 509 A CB -1.005 17.998 19.000 0.004 0.000 0.832 509 A HN 0.299 nan 8.150 nan 0.000 0.443 510 A N -1.016 121.806 122.820 0.004 0.000 2.070 510 A HA -0.050 4.271 4.320 0.001 0.000 0.220 510 A C 2.375 179.962 177.584 0.004 0.000 1.159 510 A CA 2.058 54.098 52.037 0.004 0.000 0.656 510 A CB -0.727 18.276 19.000 0.005 0.000 0.800 510 A HN 0.548 nan 8.150 nan 0.000 0.453 511 S N -0.473 115.229 115.700 0.004 0.000 2.345 511 S HA -0.073 4.398 4.470 0.001 0.000 0.219 511 S C 1.884 176.486 174.600 0.003 0.000 1.031 511 S CA 1.284 59.486 58.200 0.004 0.000 0.984 511 S CB -0.299 62.903 63.200 0.004 0.000 0.874 511 S HN 0.408 nan 8.310 nan 0.000 0.451 512 I N 1.745 122.317 120.570 0.003 0.000 2.286 512 I HA -0.018 4.153 4.170 0.001 0.000 0.245 512 I C 2.678 178.796 176.117 0.002 0.000 1.104 512 I CA 1.281 62.582 61.300 0.002 0.000 1.397 512 I CB -2.100 35.902 38.000 0.002 0.000 1.072 512 I HN 0.433 nan 8.210 nan 0.000 0.417 513 G N 1.257 110.059 108.800 0.003 0.000 2.545 513 G HA2 -0.300 3.660 3.960 0.001 0.000 0.217 513 G HA3 -0.300 3.660 3.960 0.001 0.000 0.217 513 G C 1.883 176.785 174.900 0.003 0.000 1.218 513 G CA 1.456 46.558 45.100 0.003 0.000 0.787 513 G HN 0.469 nan 8.290 nan 0.000 0.571 514 A N 0.383 123.205 122.820 0.004 0.000 1.927 514 A HA -0.065 4.256 4.320 0.001 0.000 0.220 514 A C 2.439 180.025 177.584 0.003 0.000 1.185 514 A CA 1.698 53.738 52.037 0.004 0.000 0.639 514 A CB -0.487 18.515 19.000 0.004 0.000 0.820 514 A HN 0.320 nan 8.150 nan 0.000 0.451 515 L N -0.312 120.912 121.223 0.002 0.000 1.990 515 L HA -0.225 4.115 4.340 0.001 0.000 0.213 515 L C 2.594 179.463 176.870 -0.001 0.000 1.072 515 L CA 2.091 56.931 54.840 0.000 0.000 0.755 515 L CB -1.280 40.779 42.059 -0.000 0.000 0.889 515 L HN 0.459 nan 8.230 nan 0.000 0.432 516 I N -0.209 120.361 120.570 -0.000 0.000 2.151 516 I HA -0.378 3.792 4.170 0.001 0.000 0.243 516 I C 2.461 178.578 176.117 0.001 0.000 1.080 516 I CA 1.214 62.514 61.300 -0.001 0.000 1.339 516 I CB -0.362 37.639 38.000 0.000 0.000 1.039 516 I HN 0.266 nan 8.210 nan 0.000 0.409 517 L N 0.429 121.654 121.223 0.003 0.000 2.351 517 L HA -0.195 4.146 4.340 0.001 0.000 0.220 517 L C 2.296 179.169 176.870 0.006 0.000 1.127 517 L CA 1.764 56.607 54.840 0.005 0.000 0.786 517 L CB -1.308 40.755 42.059 0.006 0.000 0.914 517 L HN 0.494 nan 8.230 nan 0.000 0.443 518 T N -5.314 109.242 114.554 0.003 0.000 3.122 518 T HA 0.066 4.416 4.350 0.001 0.000 0.250 518 T C 0.770 175.471 174.700 0.001 0.000 1.067 518 T CA -0.286 61.816 62.100 0.004 0.000 0.966 518 T CB -0.378 68.491 68.868 0.003 0.000 1.002 518 T HN 0.053 nan 8.240 nan 0.000 0.542 519 T N 2.612 117.164 114.554 -0.002 0.000 2.919 519 T HA 0.316 4.666 4.350 0.001 0.000 0.302 519 T C 0.616 175.314 174.700 -0.003 0.000 1.031 519 T CA -0.172 61.921 62.100 -0.011 0.000 1.127 519 T CB 1.383 70.241 68.868 -0.016 0.000 0.952 519 T HN 0.305 nan 8.240 nan 0.000 0.540 520 E N 0.314 120.506 120.200 -0.013 0.000 2.712 520 E HA 0.483 4.833 4.350 0.001 0.000 0.221 520 E C -0.271 176.309 176.600 -0.032 0.000 0.943 520 E CA -0.047 56.363 56.400 0.016 0.000 1.259 520 E CB 0.675 30.403 29.700 0.046 0.000 1.167 520 E HN 0.809 nan 8.360 nan 0.000 0.569 521 A N -0.752 121.984 122.820 -0.139 0.000 2.566 521 A HA 0.725 5.046 4.320 0.001 0.000 0.290 521 A C -1.639 175.794 177.584 -0.252 0.000 1.071 521 A CA -0.405 51.416 52.037 -0.361 0.000 0.658 521 A CB 1.505 20.174 19.000 -0.551 0.000 1.285 521 A HN 0.073 nan 8.150 nan 0.000 0.427 522 V N 0.100 119.837 119.914 -0.295 0.000 2.891 522 V HA 0.507 4.628 4.120 0.001 0.000 0.304 522 V C -1.129 174.860 176.094 -0.175 0.000 1.171 522 V CA -0.509 61.688 62.300 -0.172 0.000 0.943 522 V CB 2.060 33.819 31.823 -0.106 0.000 1.037 522 V HN 0.960 nan 8.190 nan 0.000 0.427 523 V N 3.963 123.804 119.914 -0.121 0.000 2.304 523 V HA 0.859 4.980 4.120 0.001 0.000 0.278 523 V C 0.373 176.423 176.094 -0.073 0.000 1.018 523 V CA -0.045 62.194 62.300 -0.101 0.000 0.814 523 V CB 1.092 32.864 31.823 -0.086 0.000 1.021 523 V HN 1.046 nan 8.190 nan 0.000 0.440 524 A N 3.947 126.721 122.820 -0.077 0.000 2.359 524 A HA 0.889 5.210 4.320 0.001 0.000 0.293 524 A C -0.271 177.213 177.584 -0.166 0.000 1.179 524 A CA -0.731 51.254 52.037 -0.087 0.000 0.878 524 A CB 0.927 19.903 19.000 -0.040 0.000 1.383 524 A HN 0.557 nan 8.150 nan 0.000 0.462 525 E N 1.120 121.119 120.200 -0.335 0.000 2.316 525 E HA 0.141 4.492 4.350 0.001 0.000 0.275 525 E C -0.479 175.839 176.600 -0.471 0.000 1.029 525 E CA -0.175 55.952 56.400 -0.455 0.000 0.871 525 E CB 1.018 30.333 29.700 -0.640 0.000 1.022 525 E HN 0.482 nan 8.360 nan 0.000 0.418 526 K N 3.945 124.204 120.400 -0.235 0.000 2.447 526 K HA 0.062 4.382 4.320 0.001 0.000 0.281 526 K C -2.179 174.359 176.600 -0.104 0.000 1.031 526 K CA -1.309 54.901 56.287 -0.129 0.000 1.019 526 K CB 0.260 32.721 32.500 -0.066 0.000 0.918 526 K HN 0.029 nan 8.250 nan 0.000 0.476 527 P HA -0.013 nan 4.420 nan 0.000 0.254 527 P C -1.204 176.130 177.300 0.056 0.000 1.467 527 P CA 0.661 63.810 63.100 0.083 0.000 1.281 527 P CB 0.303 32.053 31.700 0.084 0.000 1.754 528 E N 0.000 120.237 120.200 0.061 0.000 2.725 528 E HA 0.000 4.351 4.350 0.001 0.000 0.291 528 E CA 0.000 56.425 56.400 0.041 0.000 0.976 528 E CB 0.000 29.713 29.700 0.021 0.000 0.812 528 E HN 0.000 nan 8.360 nan 0.000 0.440