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 1ss8_1_A DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND AGVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTVAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.581 177.584 -0.006 0.000 1.274 2 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 2 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 3 A N 1.781 124.600 122.820 -0.001 0.000 2.587 3 A HA 0.478 4.798 4.320 0.000 0.000 0.233 3 A C 0.296 177.880 177.584 0.000 0.000 1.049 3 A CA 0.562 52.601 52.037 0.005 0.000 0.754 3 A CB -0.107 18.898 19.000 0.008 0.000 0.977 3 A HN 0.627 nan 8.150 nan 0.000 0.509 4 K N 1.374 121.779 120.400 0.009 0.000 2.221 4 K HA 0.420 4.740 4.320 0.000 0.000 0.243 4 K C -1.115 175.505 176.600 0.034 0.000 0.968 4 K CA -0.743 55.548 56.287 0.007 0.000 0.846 4 K CB 1.505 34.010 32.500 0.009 0.000 1.141 4 K HN 0.723 nan 8.250 nan 0.000 0.434 5 D N 1.101 121.528 120.400 0.045 0.000 2.256 5 D HA 0.345 4.985 4.640 0.000 0.000 0.240 5 D C -1.189 175.250 176.300 0.231 0.000 1.062 5 D CA -0.542 53.543 54.000 0.142 0.000 0.832 5 D CB 1.307 42.210 40.800 0.171 0.000 1.135 5 D HN 0.041 nan 8.370 nan 0.000 0.484 6 V N 4.174 124.190 119.914 0.170 0.000 2.540 6 V HA 0.475 4.595 4.120 0.000 0.000 0.302 6 V C 0.126 176.150 176.094 -0.118 0.000 1.035 6 V CA -0.773 61.549 62.300 0.036 0.000 0.873 6 V CB 1.921 33.727 31.823 -0.029 0.000 0.992 6 V HN 0.386 nan 8.190 nan 0.000 0.428 7 K N 3.235 123.423 120.400 -0.354 0.000 2.385 7 K HA 0.755 5.075 4.320 0.000 0.000 0.248 7 K C -1.700 174.540 176.600 -0.600 0.000 0.955 7 K CA -0.578 55.446 56.287 -0.438 0.000 0.816 7 K CB 2.614 34.697 32.500 -0.695 0.000 1.250 7 K HN 0.438 nan 8.250 nan 0.000 0.434 8 F N -0.172 119.713 119.950 -0.108 0.000 2.593 8 F HA 0.427 4.954 4.527 -0.000 0.000 0.320 8 F C 1.176 176.935 175.800 -0.068 0.000 1.060 8 F CA 0.193 58.155 58.000 -0.064 0.000 0.940 8 F CB 1.755 40.729 39.000 -0.043 0.000 1.268 8 F HN 0.824 nan 8.300 nan 0.000 0.475 9 G N 2.066 110.959 108.800 0.154 0.000 2.652 9 G HA2 -0.435 3.526 3.960 0.000 0.000 0.318 9 G HA3 -0.435 3.526 3.960 0.000 0.000 0.318 9 G C 0.963 175.877 174.900 0.023 0.000 1.295 9 G CA 1.006 46.152 45.100 0.076 0.000 0.999 9 G HN 0.800 nan 8.290 nan 0.000 0.548 10 N N 0.810 119.519 118.700 0.015 0.000 2.149 10 N HA -0.063 4.678 4.740 0.000 0.000 0.188 10 N C 1.610 177.104 175.510 -0.026 0.000 1.019 10 N CA 1.269 54.316 53.050 -0.004 0.000 0.857 10 N CB -0.176 38.310 38.487 -0.002 0.000 0.997 10 N HN 0.510 nan 8.380 nan 0.000 0.426 11 D N 0.905 121.284 120.400 -0.034 0.000 2.123 11 D HA -0.120 4.520 4.640 0.000 0.000 0.196 11 D C 1.940 178.151 176.300 -0.149 0.000 0.992 11 D CA 1.054 55.004 54.000 -0.083 0.000 0.833 11 D CB -0.349 40.392 40.800 -0.098 0.000 0.954 11 D HN 0.313 nan 8.370 nan 0.000 0.455 12 A N 0.566 123.297 122.820 -0.149 0.000 1.929 12 A HA 0.059 4.379 4.320 0.000 0.000 0.216 12 A C 2.360 179.893 177.584 -0.086 0.000 1.176 12 A CA 1.848 53.776 52.037 -0.182 0.000 0.628 12 A CB -0.987 17.918 19.000 -0.160 0.000 0.816 12 A HN 0.287 nan 8.150 nan 0.000 0.444 13 G N 0.143 108.914 108.800 -0.048 0.000 2.491 13 G HA2 -0.236 3.724 3.960 0.000 0.000 0.218 13 G HA3 -0.236 3.724 3.960 0.000 0.000 0.218 13 G C 1.672 176.561 174.900 -0.019 0.000 1.180 13 G CA 2.232 47.319 45.100 -0.021 0.000 0.774 13 G HN 1.097 nan 8.290 nan 0.000 0.562 14 V N -1.209 118.688 119.914 -0.028 0.000 2.626 14 V HA 0.024 4.144 4.120 0.000 0.000 0.252 14 V C 2.435 178.524 176.094 -0.008 0.000 1.067 14 V CA 2.114 64.404 62.300 -0.016 0.000 1.081 14 V CB -0.335 31.479 31.823 -0.015 0.000 0.686 14 V HN 0.118 nan 8.190 nan 0.000 0.468 15 K N 0.322 120.710 120.400 -0.021 0.000 2.025 15 K HA 0.024 4.344 4.320 0.000 0.000 0.207 15 K C 2.224 178.850 176.600 0.042 0.000 1.049 15 K CA 2.099 58.396 56.287 0.017 0.000 0.933 15 K CB -0.538 31.970 32.500 0.014 0.000 0.714 15 K HN 0.530 nan 8.250 nan 0.000 0.438 16 M N 0.540 120.158 119.600 0.031 0.000 2.117 16 M HA -0.173 4.308 4.480 0.000 0.000 0.262 16 M C 2.265 178.581 176.300 0.027 0.000 1.065 16 M CA 1.117 56.440 55.300 0.038 0.000 1.114 16 M CB -0.377 32.241 32.600 0.030 0.000 1.361 16 M HN 0.028 nan 8.290 nan 0.000 0.408 17 L N 0.616 121.850 121.223 0.018 0.000 2.017 17 L HA -0.179 4.162 4.340 0.000 0.000 0.208 17 L C 2.445 179.326 176.870 0.018 0.000 1.073 17 L CA 1.893 56.743 54.840 0.016 0.000 0.745 17 L CB -0.517 41.548 42.059 0.010 0.000 0.894 17 L HN 0.144 nan 8.230 nan 0.000 0.432 18 R N -0.390 120.122 120.500 0.020 0.000 2.096 18 R HA -0.160 4.180 4.340 0.000 0.000 0.240 18 R C 2.226 178.540 176.300 0.024 0.000 1.139 18 R CA 1.380 57.492 56.100 0.021 0.000 0.952 18 R CB -1.250 29.064 30.300 0.024 0.000 0.854 18 R HN 0.613 nan 8.270 nan 0.000 0.436 19 G N 0.619 109.437 108.800 0.031 0.000 2.446 19 G HA2 -0.239 3.721 3.960 0.000 0.000 0.217 19 G HA3 -0.239 3.721 3.960 0.000 0.000 0.217 19 G C 1.500 176.413 174.900 0.022 0.000 1.168 19 G CA 0.947 46.064 45.100 0.029 0.000 0.771 19 G HN 0.154 nan 8.290 nan 0.000 0.551 20 V N 1.566 121.493 119.914 0.021 0.000 2.343 20 V HA -0.196 3.924 4.120 0.000 0.000 0.247 20 V C 2.667 178.770 176.094 0.015 0.000 1.051 20 V CA 1.836 64.147 62.300 0.018 0.000 1.036 20 V CB -0.518 31.316 31.823 0.018 0.000 0.654 20 V HN 0.319 nan 8.190 nan 0.000 0.451 21 N N 0.295 119.004 118.700 0.015 0.000 2.149 21 N HA -0.143 4.598 4.740 0.000 0.000 0.188 21 N C 1.751 177.268 175.510 0.012 0.000 1.019 21 N CA 1.449 54.507 53.050 0.013 0.000 0.857 21 N CB -0.458 38.036 38.487 0.012 0.000 0.997 21 N HN 0.385 nan 8.380 nan 0.000 0.426 22 V N 1.322 121.244 119.914 0.013 0.000 2.323 22 V HA -0.152 3.968 4.120 0.000 0.000 0.244 22 V C 2.378 178.478 176.094 0.010 0.000 1.041 22 V CA 0.919 63.226 62.300 0.011 0.000 1.025 22 V CB -0.558 31.272 31.823 0.012 0.000 0.656 22 V HN 0.174 nan 8.190 nan 0.000 0.451 23 L N 1.047 122.276 121.223 0.010 0.000 1.970 23 L HA -0.138 4.203 4.340 0.000 0.000 0.212 23 L C 2.449 179.324 176.870 0.008 0.000 1.071 23 L CA 2.662 57.506 54.840 0.008 0.000 0.751 23 L CB -0.951 41.113 42.059 0.008 0.000 0.889 23 L HN 0.210 nan 8.230 nan 0.000 0.432 24 A N -0.872 121.954 122.820 0.010 0.000 1.898 24 A HA -0.206 4.114 4.320 0.000 0.000 0.216 24 A C 1.978 179.568 177.584 0.009 0.000 1.181 24 A CA 1.803 53.846 52.037 0.010 0.000 0.620 24 A CB -0.958 18.049 19.000 0.012 0.000 0.819 24 A HN 0.582 nan 8.150 nan 0.000 0.442 25 D N 0.252 120.657 120.400 0.009 0.000 2.123 25 D HA -0.074 4.566 4.640 0.000 0.000 0.196 25 D C 2.198 178.502 176.300 0.007 0.000 0.992 25 D CA 1.539 55.544 54.000 0.008 0.000 0.833 25 D CB -0.468 40.336 40.800 0.008 0.000 0.954 25 D HN 0.431 nan 8.370 nan 0.000 0.455 26 A N 0.443 123.267 122.820 0.007 0.000 1.877 26 A HA -0.137 4.184 4.320 0.000 0.000 0.216 26 A C 2.495 180.083 177.584 0.005 0.000 1.186 26 A CA 1.240 53.280 52.037 0.006 0.000 0.620 26 A CB -0.737 18.267 19.000 0.005 0.000 0.822 26 A HN 0.168 nan 8.150 nan 0.000 0.443 27 V N 1.040 120.957 119.914 0.005 0.000 2.548 27 V HA -0.190 3.930 4.120 0.000 0.000 0.249 27 V C 2.475 178.573 176.094 0.006 0.000 1.055 27 V CA 2.126 64.429 62.300 0.005 0.000 1.065 27 V CB -0.535 31.291 31.823 0.005 0.000 0.681 27 V HN 0.849 nan 8.190 nan 0.000 0.462 28 K N 0.981 121.385 120.400 0.007 0.000 2.418 28 K HA -0.020 4.301 4.320 0.000 0.000 0.195 28 K C 1.811 178.415 176.600 0.007 0.000 1.035 28 K CA 1.332 57.624 56.287 0.008 0.000 1.003 28 K CB -0.318 32.187 32.500 0.009 0.000 0.793 28 K HN 0.439 nan 8.250 nan 0.000 0.494 29 V N 0.409 120.326 119.914 0.006 0.000 2.720 29 V HA -0.190 3.930 4.120 0.000 0.000 0.256 29 V C 2.167 178.264 176.094 0.005 0.000 1.082 29 V CA 2.016 64.320 62.300 0.005 0.000 1.101 29 V CB -1.285 30.541 31.823 0.005 0.000 0.693 29 V HN 0.539 nan 8.190 nan 0.000 0.479 30 T N -2.278 112.279 114.554 0.005 0.000 3.100 30 T HA 0.233 4.583 4.350 0.000 0.000 0.253 30 T C 0.545 175.247 174.700 0.004 0.000 1.118 30 T CA 0.032 62.135 62.100 0.004 0.000 1.058 30 T CB -0.262 68.608 68.868 0.003 0.000 0.953 30 T HN 0.395 nan 8.240 nan 0.000 0.515 31 L N 2.462 123.689 121.223 0.006 0.000 2.380 31 L HA 0.569 4.909 4.340 0.000 0.000 0.273 31 L C 0.853 177.727 176.870 0.008 0.000 1.138 31 L CA 1.460 56.305 54.840 0.007 0.000 0.832 31 L CB -0.219 41.846 42.059 0.010 0.000 1.124 31 L HN 0.666 nan 8.230 nan 0.000 0.454 32 G N 4.485 113.289 108.800 0.006 0.000 2.829 32 G HA2 -0.174 3.786 3.960 0.000 0.000 0.628 32 G HA3 -0.174 3.786 3.960 0.000 0.000 0.628 32 G C -2.091 172.809 174.900 -0.001 0.000 1.412 32 G CA -0.266 44.837 45.100 0.005 0.000 0.864 32 G HN 0.599 nan 8.290 nan 0.000 0.544 33 P HA 0.084 nan 4.420 nan 0.000 0.229 33 P C 0.903 178.197 177.300 -0.010 0.000 1.160 33 P CA 1.082 64.173 63.100 -0.015 0.000 0.777 33 P CB 0.122 31.804 31.700 -0.030 0.000 0.814 34 K N 0.447 120.845 120.400 -0.002 0.000 2.675 34 K HA 0.322 4.642 4.320 0.000 0.000 0.213 34 K C 0.854 177.456 176.600 0.004 0.000 1.074 34 K CA -0.261 56.026 56.287 0.001 0.000 1.172 34 K CB -0.283 32.221 32.500 0.007 0.000 0.927 34 K HN 0.019 nan 8.250 nan 0.000 0.471 35 G N 0.829 109.630 108.800 0.002 0.000 2.491 35 G HA2 0.083 4.044 3.960 0.000 0.000 0.238 35 G HA3 0.083 4.044 3.960 0.000 0.000 0.238 35 G C -0.155 174.746 174.900 0.002 0.000 1.277 35 G CA -0.491 44.610 45.100 0.003 0.000 0.851 35 G HN 0.122 nan 8.290 nan 0.000 0.573 36 R N 0.845 121.347 120.500 0.003 0.000 2.573 36 R HA 0.294 4.634 4.340 0.000 0.000 0.272 36 R C 0.181 176.482 176.300 0.003 0.000 1.009 36 R CA -1.050 55.052 56.100 0.003 0.000 1.059 36 R CB 0.515 30.817 30.300 0.003 0.000 1.112 36 R HN 0.546 nan 8.270 nan 0.000 0.517 37 N N 0.204 118.905 118.700 0.002 0.000 2.525 37 N HA 0.162 4.902 4.740 0.000 0.000 0.271 37 N C -0.542 174.970 175.510 0.004 0.000 1.194 37 N CA -0.082 52.969 53.050 0.003 0.000 0.964 37 N CB 1.268 39.757 38.487 0.003 0.000 1.126 37 N HN 0.096 nan 8.380 nan 0.000 0.452 38 V N 1.805 121.722 119.914 0.004 0.000 2.555 38 V HA 0.333 4.453 4.120 0.000 0.000 0.302 38 V C 0.137 176.235 176.094 0.006 0.000 1.038 38 V CA -0.857 61.446 62.300 0.005 0.000 0.887 38 V CB 2.070 33.896 31.823 0.005 0.000 0.991 38 V HN 0.285 nan 8.190 nan 0.000 0.434 39 V N 5.938 125.856 119.914 0.007 0.000 2.427 39 V HA 0.501 4.622 4.120 0.000 0.000 0.286 39 V C -0.278 175.822 176.094 0.010 0.000 1.034 39 V CA -0.440 61.865 62.300 0.009 0.000 0.893 39 V CB 1.384 33.212 31.823 0.008 0.000 0.982 39 V HN 0.618 nan 8.190 nan 0.000 0.452 40 L N 3.677 124.908 121.223 0.013 0.000 2.349 40 L HA 0.549 4.889 4.340 0.000 0.000 0.278 40 L C -0.281 176.602 176.870 0.020 0.000 0.996 40 L CA -0.584 54.265 54.840 0.015 0.000 0.825 40 L CB 1.804 43.871 42.059 0.014 0.000 1.243 40 L HN 0.511 nan 8.230 nan 0.000 0.412 41 D N 2.761 123.173 120.400 0.020 0.000 2.360 41 D HA 0.338 4.978 4.640 0.000 0.000 0.242 41 D C -0.542 175.781 176.300 0.038 0.000 1.184 41 D CA 0.103 54.119 54.000 0.025 0.000 0.930 41 D CB 0.946 41.758 40.800 0.020 0.000 1.161 41 D HN 0.153 nan 8.370 nan 0.000 0.447 42 K N -0.128 120.304 120.400 0.052 0.000 2.498 42 K HA 0.287 4.608 4.320 0.000 0.000 0.254 42 K C 0.503 177.153 176.600 0.084 0.000 0.933 42 K CA -0.626 55.712 56.287 0.085 0.000 0.806 42 K CB 1.668 34.246 32.500 0.130 0.000 1.301 42 K HN 0.248 nan 8.250 nan 0.000 0.432 43 S N 0.805 116.565 115.700 0.100 0.000 2.453 43 S HA -0.072 4.398 4.470 0.000 0.000 0.231 43 S C 1.636 176.301 174.600 0.108 0.000 1.005 43 S CA 0.291 58.543 58.200 0.087 0.000 0.949 43 S CB -0.276 62.977 63.200 0.089 0.000 0.774 43 S HN 0.547 nan 8.310 nan 0.000 0.510 44 F N 2.841 122.789 119.950 -0.004 0.000 2.126 44 F HA 0.147 4.674 4.527 -0.000 0.000 0.299 44 F C 1.631 177.429 175.800 -0.004 0.000 1.096 44 F CA 1.137 59.135 58.000 -0.004 0.000 1.255 44 F CB -0.544 38.454 39.000 -0.004 0.000 0.997 44 F HN 0.369 nan 8.300 nan 0.000 0.479 45 G N -1.686 107.082 108.800 -0.053 0.000 2.492 45 G HA2 0.358 4.318 3.960 0.000 0.000 0.065 45 G HA3 0.358 4.318 3.960 0.000 0.000 0.065 45 G C -0.862 174.015 174.900 -0.039 0.000 0.956 45 G CA -0.250 44.777 45.100 -0.123 0.000 1.223 45 G HN 0.401 nan 8.290 nan 0.000 0.511 46 A N 2.318 125.121 122.820 -0.027 0.000 2.388 46 A HA 0.692 5.012 4.320 0.000 0.000 0.257 46 A C -1.444 176.153 177.584 0.021 0.000 1.095 46 A CA -0.546 51.488 52.037 -0.005 0.000 0.791 46 A CB -0.329 18.667 19.000 -0.006 0.000 1.029 46 A HN 0.478 nan 8.150 nan 0.000 0.489 47 P HA 0.179 nan 4.420 nan 0.000 0.271 47 P C 0.005 177.321 177.300 0.028 0.000 1.233 47 P CA 0.120 63.236 63.100 0.026 0.000 0.789 47 P CB 0.429 32.139 31.700 0.017 0.000 0.951 48 T N -0.932 113.640 114.554 0.029 0.000 2.859 48 T HA 0.641 4.991 4.350 0.000 0.000 0.281 48 T C -0.306 174.404 174.700 0.017 0.000 1.005 48 T CA -0.781 61.334 62.100 0.026 0.000 1.025 48 T CB 0.211 69.098 68.868 0.031 0.000 0.977 48 T HN 0.206 nan 8.240 nan 0.000 0.458 49 I N 2.986 123.564 120.570 0.014 0.000 2.389 49 I HA 0.530 4.700 4.170 0.000 0.000 0.288 49 I C 0.240 176.362 176.117 0.008 0.000 0.999 49 I CA -0.547 60.759 61.300 0.009 0.000 1.129 49 I CB 2.118 40.123 38.000 0.007 0.000 1.288 49 I HN 0.744 nan 8.210 nan 0.000 0.444 50 T N 4.126 118.684 114.554 0.006 0.000 2.894 50 T HA 0.390 4.740 4.350 0.000 0.000 0.309 50 T C -0.092 174.609 174.700 0.002 0.000 1.208 50 T CA -0.540 61.562 62.100 0.004 0.000 1.016 50 T CB 1.712 70.583 68.868 0.004 0.000 1.192 50 T HN 0.644 nan 8.240 nan 0.000 0.491 51 K N 1.152 121.552 120.400 0.001 0.000 2.387 51 K HA 0.198 4.518 4.320 0.000 0.000 0.203 51 K C -0.377 176.223 176.600 -0.001 0.000 1.030 51 K CA -0.284 56.003 56.287 0.000 0.000 1.099 51 K CB 0.504 33.004 32.500 -0.001 0.000 0.863 51 K HN 0.417 nan 8.250 nan 0.000 0.529 52 D N 0.231 120.630 120.400 -0.001 0.000 2.365 52 D HA 0.067 4.707 4.640 0.000 0.000 0.237 52 D C 0.964 177.263 176.300 -0.001 0.000 1.190 52 D CA -0.021 53.978 54.000 -0.002 0.000 0.867 52 D CB 1.439 42.237 40.800 -0.004 0.000 1.050 52 D HN 0.271 nan 8.370 nan 0.000 0.491 53 G N 2.679 111.479 108.800 -0.000 0.000 2.443 53 G HA2 -0.156 3.805 3.960 0.000 0.000 0.219 53 G HA3 -0.156 3.805 3.960 0.000 0.000 0.219 53 G C 1.598 176.497 174.900 -0.002 0.000 1.131 53 G CA 0.328 45.428 45.100 0.000 0.000 0.775 53 G HN 0.481 nan 8.290 nan 0.000 0.547 54 V N 1.239 121.151 119.914 -0.003 0.000 2.358 54 V HA -0.183 3.937 4.120 0.000 0.000 0.246 54 V C 3.090 179.180 176.094 -0.006 0.000 1.047 54 V CA 2.200 64.497 62.300 -0.006 0.000 1.035 54 V CB -0.508 31.311 31.823 -0.006 0.000 0.658 54 V HN 0.370 nan 8.190 nan 0.000 0.452 55 S N -0.045 115.652 115.700 -0.005 0.000 2.383 55 S HA -0.180 4.290 4.470 0.000 0.000 0.229 55 S C 1.995 176.593 174.600 -0.003 0.000 1.030 55 S CA 1.568 59.765 58.200 -0.005 0.000 1.002 55 S CB -0.287 62.911 63.200 -0.003 0.000 0.829 55 S HN 0.399 nan 8.310 nan 0.000 0.467 56 V N 2.114 122.027 119.914 -0.001 0.000 2.307 56 V HA -0.183 3.938 4.120 0.000 0.000 0.245 56 V C 2.720 178.813 176.094 -0.001 0.000 1.045 56 V CA 1.580 63.880 62.300 0.000 0.000 1.024 56 V CB -1.360 30.464 31.823 0.002 0.000 0.651 56 V HN 0.541 nan 8.190 nan 0.000 0.449 57 A N 0.603 123.421 122.820 -0.003 0.000 1.927 57 A HA -0.335 3.985 4.320 0.000 0.000 0.220 57 A C 2.406 179.986 177.584 -0.007 0.000 1.185 57 A CA 2.532 54.566 52.037 -0.005 0.000 0.639 57 A CB -0.671 18.325 19.000 -0.007 0.000 0.820 57 A HN 0.582 nan 8.150 nan 0.000 0.451 58 R N -0.735 119.760 120.500 -0.009 0.000 2.189 58 R HA -0.079 4.261 4.340 0.000 0.000 0.218 58 R C 1.021 177.315 176.300 -0.009 0.000 1.074 58 R CA 1.399 57.492 56.100 -0.012 0.000 0.991 58 R CB -0.107 30.185 30.300 -0.014 0.000 0.883 58 R HN 0.398 nan 8.270 nan 0.000 0.457 59 E N 0.445 120.642 120.200 -0.006 0.000 2.478 59 E HA 0.048 4.398 4.350 0.000 0.000 0.194 59 E C 0.042 176.641 176.600 -0.003 0.000 1.045 59 E CA 0.076 56.474 56.400 -0.003 0.000 0.868 59 E CB 0.350 30.050 29.700 0.001 0.000 0.885 59 E HN 0.273 nan 8.360 nan 0.000 0.505 60 I N 1.991 122.559 120.570 -0.003 0.000 2.352 60 I HA 0.172 4.343 4.170 0.000 0.000 0.290 60 I C 0.341 176.456 176.117 -0.003 0.000 1.036 60 I CA 0.058 61.357 61.300 -0.001 0.000 1.336 60 I CB 0.523 38.523 38.000 0.000 0.000 1.407 60 I HN -0.058 nan 8.210 nan 0.000 0.497 61 E N 7.424 127.623 120.200 -0.002 0.000 2.304 61 E HA 0.517 4.867 4.350 0.000 0.000 0.277 61 E C -1.868 174.730 176.600 -0.003 0.000 0.898 61 E CA -0.579 55.818 56.400 -0.005 0.000 0.764 61 E CB 2.156 31.852 29.700 -0.008 0.000 1.216 61 E HN 0.448 nan 8.360 nan 0.000 0.419 62 L N 3.289 124.510 121.223 -0.004 0.000 2.330 62 L HA 0.400 4.741 4.340 0.000 0.000 0.271 62 L C 1.455 178.322 176.870 -0.004 0.000 1.013 62 L CA -0.573 54.268 54.840 0.001 0.000 0.816 62 L CB 1.653 43.717 42.059 0.008 0.000 1.287 62 L HN 0.751 nan 8.230 nan 0.000 0.435 63 E N 0.644 120.844 120.200 -0.000 0.000 2.072 63 E HA -0.167 4.183 4.350 0.000 0.000 0.190 63 E C 0.475 177.071 176.600 -0.007 0.000 0.982 63 E CA 0.536 56.934 56.400 -0.004 0.000 0.803 63 E CB 0.278 29.979 29.700 0.002 0.000 0.755 63 E HN 0.658 nan 8.360 nan 0.000 0.453 64 D N 0.687 121.093 120.400 0.010 0.000 2.401 64 D HA -0.060 4.580 4.640 0.000 0.000 0.254 64 D C 0.685 176.977 176.300 -0.012 0.000 1.192 64 D CA 0.021 54.034 54.000 0.023 0.000 0.885 64 D CB 0.962 41.802 40.800 0.067 0.000 1.147 64 D HN 0.073 nan 8.370 nan 0.000 0.478 65 K N 3.752 124.091 120.400 -0.101 0.000 2.097 65 K HA -0.146 4.175 4.320 0.000 0.000 0.206 65 K C 1.920 178.387 176.600 -0.221 0.000 1.049 65 K CA 1.022 57.183 56.287 -0.210 0.000 0.933 65 K CB -0.338 31.951 32.500 -0.353 0.000 0.717 65 K HN 0.460 nan 8.250 nan 0.000 0.442 66 F N 2.178 122.119 119.950 -0.016 0.000 2.146 66 F HA -0.058 4.468 4.527 -0.000 0.000 0.298 66 F C 2.439 178.230 175.800 -0.014 0.000 1.096 66 F CA 1.058 59.046 58.000 -0.020 0.000 1.275 66 F CB -0.523 38.464 39.000 -0.023 0.000 1.008 66 F HN 0.080 nan 8.300 nan 0.000 0.480 67 E N 0.092 120.393 120.200 0.169 0.000 2.085 67 E HA -0.262 4.088 4.350 0.000 0.000 0.194 67 E C 2.078 178.709 176.600 0.052 0.000 0.994 67 E CA 1.191 57.646 56.400 0.091 0.000 0.801 67 E CB -0.445 29.296 29.700 0.068 0.000 0.743 67 E HN 0.418 nan 8.360 nan 0.000 0.453 68 N N 0.531 119.248 118.700 0.028 0.000 2.223 68 N HA -0.149 4.591 4.740 0.000 0.000 0.185 68 N C 1.862 177.374 175.510 0.004 0.000 1.016 68 N CA 0.898 53.951 53.050 0.004 0.000 0.863 68 N CB 0.029 38.504 38.487 -0.020 0.000 0.983 68 N HN 0.179 nan 8.380 nan 0.000 0.429 69 M N 0.053 119.659 119.600 0.010 0.000 2.175 69 M HA -0.050 4.431 4.480 0.000 0.000 0.264 69 M C 2.286 178.603 176.300 0.028 0.000 1.063 69 M CA 1.390 56.698 55.300 0.013 0.000 1.119 69 M CB -0.413 32.200 32.600 0.023 0.000 1.377 69 M HN 0.177 nan 8.290 nan 0.000 0.415 70 G N 0.250 109.076 108.800 0.044 0.000 2.459 70 G HA2 -0.214 3.746 3.960 0.000 0.000 0.217 70 G HA3 -0.214 3.746 3.960 0.000 0.000 0.217 70 G C 1.618 176.532 174.900 0.023 0.000 1.183 70 G CA 1.130 46.251 45.100 0.036 0.000 0.776 70 G HN 0.533 nan 8.290 nan 0.000 0.552 71 A N 0.118 122.949 122.820 0.019 0.000 1.883 71 A HA -0.124 4.196 4.320 0.000 0.000 0.217 71 A C 2.407 179.995 177.584 0.006 0.000 1.186 71 A CA 2.149 54.193 52.037 0.012 0.000 0.624 71 A CB -0.436 18.570 19.000 0.009 0.000 0.822 71 A HN 0.356 nan 8.150 nan 0.000 0.444 72 Q N -0.908 118.893 119.800 0.002 0.000 2.167 72 Q HA -0.070 4.271 4.340 0.000 0.000 0.202 72 Q C 2.096 178.095 176.000 -0.002 0.000 0.970 72 Q CA 1.356 57.157 55.803 -0.004 0.000 0.855 72 Q CB -0.475 28.258 28.738 -0.009 0.000 0.911 72 Q HN 0.781 nan 8.270 nan 0.000 0.438 73 M N -0.256 119.347 119.600 0.005 0.000 2.086 73 M HA -0.151 4.329 4.480 0.000 0.000 0.261 73 M C 2.244 178.550 176.300 0.010 0.000 1.067 73 M CA 1.204 56.510 55.300 0.009 0.000 1.116 73 M CB -0.191 32.419 32.600 0.017 0.000 1.348 73 M HN -0.033 nan 8.290 nan 0.000 0.407 74 V N 0.297 120.218 119.914 0.012 0.000 2.307 74 V HA -0.270 3.850 4.120 0.000 0.000 0.245 74 V C 2.115 178.209 176.094 -0.001 0.000 1.045 74 V CA 1.783 64.090 62.300 0.012 0.000 1.024 74 V CB -0.730 31.103 31.823 0.016 0.000 0.651 74 V HN 0.426 nan 8.190 nan 0.000 0.449 75 K N -0.137 120.260 120.400 -0.006 0.000 2.074 75 K HA -0.262 4.058 4.320 0.000 0.000 0.209 75 K C 2.282 178.863 176.600 -0.031 0.000 1.048 75 K CA 1.929 58.206 56.287 -0.017 0.000 0.926 75 K CB -0.230 32.261 32.500 -0.016 0.000 0.713 75 K HN 0.474 nan 8.250 nan 0.000 0.444 76 E N 0.434 120.618 120.200 -0.027 0.000 2.150 76 E HA -0.146 4.204 4.350 0.000 0.000 0.193 76 E C 1.824 178.384 176.600 -0.066 0.000 0.985 76 E CA 1.017 57.393 56.400 -0.040 0.000 0.814 76 E CB 0.304 29.989 29.700 -0.026 0.000 0.752 76 E HN 0.093 nan 8.360 nan 0.000 0.466 77 V N 0.617 120.502 119.914 -0.047 0.000 2.500 77 V HA -0.075 4.046 4.120 0.000 0.000 0.243 77 V C 2.379 178.388 176.094 -0.141 0.000 1.039 77 V CA 1.245 63.507 62.300 -0.063 0.000 1.053 77 V CB -0.334 31.514 31.823 0.042 0.000 0.695 77 V HN 0.285 nan 8.190 nan 0.000 0.463 78 A N 1.191 123.971 122.820 -0.066 0.000 1.917 78 A HA -0.255 4.065 4.320 0.000 0.000 0.219 78 A C 2.494 179.994 177.584 -0.140 0.000 1.182 78 A CA 2.479 54.477 52.037 -0.066 0.000 0.633 78 A CB -0.868 18.121 19.000 -0.019 0.000 0.819 78 A HN 0.698 nan 8.150 nan 0.000 0.448 79 S N -0.356 115.265 115.700 -0.132 0.000 2.500 79 S HA -0.124 4.347 4.470 0.000 0.000 0.239 79 S C 1.635 176.106 174.600 -0.215 0.000 0.989 79 S CA 1.337 59.458 58.200 -0.131 0.000 0.951 79 S CB -0.346 62.801 63.200 -0.088 0.000 0.759 79 S HN 0.626 nan 8.310 nan 0.000 0.523 80 K N 1.295 121.460 120.400 -0.392 0.000 2.148 80 K HA 0.094 4.414 4.320 0.000 0.000 0.204 80 K C 2.503 178.770 176.600 -0.555 0.000 1.050 80 K CA 1.016 56.950 56.287 -0.588 0.000 0.942 80 K CB -0.488 31.417 32.500 -0.991 0.000 0.724 80 K HN 0.511 nan 8.250 nan 0.000 0.446 81 A N 1.935 124.474 122.820 -0.469 0.000 1.858 81 A HA -0.244 4.077 4.320 0.000 0.000 0.216 81 A C 1.859 179.423 177.584 -0.035 0.000 1.190 81 A CA 1.971 53.960 52.037 -0.080 0.000 0.617 81 A CB -0.745 18.289 19.000 0.057 0.000 0.827 81 A HN 0.258 nan 8.150 nan 0.000 0.443 82 N N 0.337 119.004 118.700 -0.053 0.000 2.061 82 N HA -0.163 4.577 4.740 0.000 0.000 0.193 82 N C 1.269 176.767 175.510 -0.020 0.000 1.030 82 N CA 1.821 54.861 53.050 -0.018 0.000 0.856 82 N CB -0.301 38.176 38.487 -0.016 0.000 1.023 82 N HN 0.472 nan 8.380 nan 0.000 0.424 83 D N -0.121 120.243 120.400 -0.059 0.000 2.104 83 D HA -0.135 4.505 4.640 0.000 0.000 0.194 83 D C 1.780 178.059 176.300 -0.035 0.000 0.994 83 D CA 1.473 55.441 54.000 -0.054 0.000 0.830 83 D CB -0.547 40.204 40.800 -0.083 0.000 0.959 83 D HN 0.350 nan 8.370 nan 0.000 0.452 84 A N 0.300 123.113 122.820 -0.012 0.000 1.897 84 A HA 0.189 4.510 4.320 0.000 0.000 0.215 84 A C 2.083 179.682 177.584 0.024 0.000 1.181 84 A CA 1.990 54.048 52.037 0.035 0.000 0.620 84 A CB -0.222 18.863 19.000 0.141 0.000 0.821 84 A HN 0.250 nan 8.150 nan 0.000 0.443 85 A N -3.060 119.780 122.820 0.033 0.000 2.382 85 A HA 0.472 4.792 4.320 0.000 0.000 0.228 85 A C 1.639 179.241 177.584 0.030 0.000 1.217 85 A CA 1.040 53.096 52.037 0.032 0.000 0.923 85 A CB -0.138 18.894 19.000 0.053 0.000 0.979 85 A HN 1.837 nan 8.150 nan 0.000 0.515 86 G N -0.979 107.843 108.800 0.036 0.000 2.175 86 G HA2 -0.157 3.803 3.960 0.000 0.000 0.244 86 G HA3 -0.157 3.803 3.960 0.000 0.000 0.244 86 G C -0.151 174.796 174.900 0.079 0.000 0.982 86 G CA 0.517 45.674 45.100 0.095 0.000 0.641 86 G HN 0.875 nan 8.290 nan 0.000 0.527 87 D N -2.819 117.610 120.400 0.049 0.000 2.710 87 D HA 0.583 5.223 4.640 0.000 0.000 0.276 87 D C 0.917 177.236 176.300 0.033 0.000 1.267 87 D CA 1.444 55.467 54.000 0.038 0.000 0.772 87 D CB 0.528 41.352 40.800 0.039 0.000 1.299 87 D HN 1.371 nan 8.370 nan 0.000 0.421 88 G N -0.411 108.406 108.800 0.028 0.000 2.284 88 G HA2 -0.257 3.703 3.960 0.000 0.000 0.201 88 G HA3 -0.257 3.703 3.960 0.000 0.000 0.201 88 G C 1.158 176.074 174.900 0.028 0.000 0.998 88 G CA 0.807 45.928 45.100 0.035 0.000 0.651 88 G HN 0.570 nan 8.290 nan 0.000 0.489 89 T N 1.430 115.991 114.554 0.011 0.000 2.684 89 T HA -0.117 4.233 4.350 0.000 0.000 0.267 89 T C 2.512 177.215 174.700 0.006 0.000 1.036 89 T CA 2.546 64.645 62.100 -0.002 0.000 1.148 89 T CB -0.518 68.341 68.868 -0.015 0.000 0.863 89 T HN 0.461 nan 8.240 nan 0.000 0.436 90 T N 1.526 116.085 114.554 0.008 0.000 2.777 90 T HA -0.088 4.263 4.350 0.000 0.000 0.266 90 T C 2.288 176.998 174.700 0.017 0.000 1.040 90 T CA 1.499 63.605 62.100 0.010 0.000 1.141 90 T CB -0.649 68.224 68.868 0.009 0.000 0.868 90 T HN 0.382 nan 8.240 nan 0.000 0.444 91 T N 2.065 116.632 114.554 0.021 0.000 2.746 91 T HA -0.045 4.305 4.350 0.000 0.000 0.267 91 T C 2.411 177.131 174.700 0.034 0.000 1.039 91 T CA 1.180 63.296 62.100 0.027 0.000 1.142 91 T CB -0.551 68.335 68.868 0.030 0.000 0.866 91 T HN 0.437 nan 8.240 nan 0.000 0.444 92 A N 1.340 124.185 122.820 0.041 0.000 1.940 92 A HA -0.144 4.177 4.320 0.000 0.000 0.219 92 A C 2.538 180.146 177.584 0.040 0.000 1.176 92 A CA 2.130 54.200 52.037 0.055 0.000 0.631 92 A CB -1.215 17.827 19.000 0.070 0.000 0.814 92 A HN 0.505 nan 8.150 nan 0.000 0.446 93 T N -0.460 114.110 114.554 0.026 0.000 2.788 93 T HA -0.096 4.254 4.350 0.000 0.000 0.268 93 T C 1.843 176.555 174.700 0.021 0.000 1.044 93 T CA 1.477 63.589 62.100 0.021 0.000 1.139 93 T CB -0.392 68.484 68.868 0.013 0.000 0.867 93 T HN 0.165 nan 8.240 nan 0.000 0.454 94 V N 1.482 121.409 119.914 0.020 0.000 2.358 94 V HA -0.090 4.030 4.120 0.000 0.000 0.246 94 V C 2.500 178.606 176.094 0.021 0.000 1.047 94 V CA 1.330 63.641 62.300 0.019 0.000 1.035 94 V CB -0.719 31.114 31.823 0.017 0.000 0.658 94 V HN 0.419 nan 8.190 nan 0.000 0.452 95 L N 0.200 121.439 121.223 0.025 0.000 2.012 95 L HA -0.222 4.118 4.340 0.000 0.000 0.210 95 L C 2.759 179.645 176.870 0.026 0.000 1.073 95 L CA 1.869 56.725 54.840 0.026 0.000 0.748 95 L CB -0.862 41.217 42.059 0.032 0.000 0.891 95 L HN 0.370 nan 8.230 nan 0.000 0.431 96 A N -0.594 122.244 122.820 0.030 0.000 1.877 96 A HA -0.295 4.025 4.320 0.000 0.000 0.216 96 A C 2.273 179.871 177.584 0.023 0.000 1.186 96 A CA 1.896 53.951 52.037 0.030 0.000 0.620 96 A CB -0.686 18.335 19.000 0.034 0.000 0.822 96 A HN 0.528 nan 8.150 nan 0.000 0.443 97 Q N -0.510 119.302 119.800 0.020 0.000 2.135 97 Q HA -0.167 4.174 4.340 0.000 0.000 0.204 97 Q C 2.084 178.093 176.000 0.015 0.000 0.981 97 Q CA 1.752 57.565 55.803 0.017 0.000 0.856 97 Q CB -0.322 28.425 28.738 0.015 0.000 0.902 97 Q HN 0.614 nan 8.270 nan 0.000 0.425 98 A N 0.611 123.440 122.820 0.016 0.000 1.897 98 A HA -0.082 4.238 4.320 0.000 0.000 0.215 98 A C 1.973 179.565 177.584 0.013 0.000 1.181 98 A CA 1.046 53.091 52.037 0.013 0.000 0.620 98 A CB -0.494 18.514 19.000 0.013 0.000 0.821 98 A HN 0.453 nan 8.150 nan 0.000 0.443 99 I N -0.371 120.208 120.570 0.015 0.000 2.179 99 I HA -0.254 3.917 4.170 0.000 0.000 0.242 99 I C 2.302 178.428 176.117 0.013 0.000 1.088 99 I CA 1.383 62.692 61.300 0.014 0.000 1.357 99 I CB -0.406 37.604 38.000 0.016 0.000 1.051 99 I HN 0.266 nan 8.210 nan 0.000 0.409 100 I N 0.403 120.983 120.570 0.015 0.000 2.208 100 I HA -0.286 3.884 4.170 0.000 0.000 0.245 100 I C 2.579 178.703 176.117 0.012 0.000 1.097 100 I CA 1.591 62.900 61.300 0.014 0.000 1.363 100 I CB -0.479 37.531 38.000 0.016 0.000 1.051 100 I HN 0.224 nan 8.210 nan 0.000 0.413 101 T N -0.002 114.559 114.554 0.011 0.000 2.708 101 T HA -0.136 4.214 4.350 0.000 0.000 0.266 101 T C 1.817 176.522 174.700 0.008 0.000 1.037 101 T CA 1.216 63.321 62.100 0.009 0.000 1.146 101 T CB -0.105 68.769 68.868 0.009 0.000 0.865 101 T HN 0.292 nan 8.240 nan 0.000 0.435 102 E N 0.596 120.801 120.200 0.008 0.000 2.112 102 E HA 0.041 4.392 4.350 0.000 0.000 0.190 102 E C 2.542 179.146 176.600 0.007 0.000 0.979 102 E CA 0.802 57.206 56.400 0.007 0.000 0.814 102 E CB -0.753 28.951 29.700 0.007 0.000 0.762 102 E HN 0.537 nan 8.360 nan 0.000 0.460 103 G N 1.775 110.580 108.800 0.008 0.000 2.446 103 G HA2 -0.240 3.720 3.960 0.000 0.000 0.217 103 G HA3 -0.240 3.720 3.960 0.000 0.000 0.217 103 G C 1.722 176.627 174.900 0.008 0.000 1.168 103 G CA 0.636 45.741 45.100 0.008 0.000 0.771 103 G HN 0.181 nan 8.290 nan 0.000 0.551 104 L N -0.295 120.933 121.223 0.008 0.000 2.191 104 L HA -0.006 4.335 4.340 0.000 0.000 0.212 104 L C 2.834 179.707 176.870 0.005 0.000 1.103 104 L CA 1.075 55.919 54.840 0.006 0.000 0.769 104 L CB -0.233 41.830 42.059 0.006 0.000 0.908 104 L HN 0.175 nan 8.230 nan 0.000 0.438 105 K N 0.083 120.486 120.400 0.005 0.000 2.057 105 K HA -0.094 4.226 4.320 0.000 0.000 0.206 105 K C 2.210 178.812 176.600 0.004 0.000 1.050 105 K CA 1.239 57.529 56.287 0.004 0.000 0.935 105 K CB -0.138 32.365 32.500 0.004 0.000 0.715 105 K HN 0.262 nan 8.250 nan 0.000 0.439 106 A N 0.248 123.071 122.820 0.005 0.000 1.969 106 A HA -0.094 4.227 4.320 0.000 0.000 0.218 106 A C 2.182 179.769 177.584 0.005 0.000 1.169 106 A CA 1.284 53.323 52.037 0.004 0.000 0.635 106 A CB -0.447 18.556 19.000 0.005 0.000 0.810 106 A HN 0.112 nan 8.150 nan 0.000 0.445 107 V N -0.179 119.739 119.914 0.005 0.000 2.307 107 V HA -0.216 3.904 4.120 0.000 0.000 0.245 107 V C 3.062 179.159 176.094 0.005 0.000 1.045 107 V CA 1.774 64.078 62.300 0.006 0.000 1.024 107 V CB -1.236 30.591 31.823 0.008 0.000 0.651 107 V HN 0.595 nan 8.190 nan 0.000 0.449 108 A N 0.158 122.980 122.820 0.004 0.000 1.997 108 A HA -0.212 4.109 4.320 0.000 0.000 0.221 108 A C 2.236 179.821 177.584 0.002 0.000 1.172 108 A CA 2.214 54.253 52.037 0.003 0.000 0.645 108 A CB -0.691 18.310 19.000 0.002 0.000 0.813 108 A HN 0.643 nan 8.150 nan 0.000 0.454 109 A N -2.235 120.587 122.820 0.002 0.000 2.235 109 A HA 0.398 4.719 4.320 0.000 0.000 0.208 109 A C 1.830 179.415 177.584 0.001 0.000 1.172 109 A CA 1.247 53.285 52.037 0.002 0.000 0.786 109 A CB -0.848 18.154 19.000 0.002 0.000 0.804 109 A HN 1.953 nan 8.150 nan 0.000 0.479 110 G N -1.928 106.873 108.800 0.002 0.000 2.176 110 G HA2 -0.225 3.735 3.960 0.000 0.000 0.232 110 G HA3 -0.225 3.735 3.960 0.000 0.000 0.232 110 G C 0.189 175.090 174.900 0.002 0.000 0.986 110 G CA 0.210 45.311 45.100 0.002 0.000 0.643 110 G HN 0.381 nan 8.290 nan 0.000 0.522 111 M N 0.622 120.224 119.600 0.003 0.000 2.228 111 M HA 0.267 4.748 4.480 0.000 0.000 0.326 111 M C 0.689 176.992 176.300 0.005 0.000 1.122 111 M CA -0.543 54.759 55.300 0.003 0.000 1.161 111 M CB 0.428 33.030 32.600 0.003 0.000 1.437 111 M HN 0.159 nan 8.290 nan 0.000 0.465 112 N N 2.358 121.060 118.700 0.004 0.000 2.420 112 N HA 0.139 4.879 4.740 0.000 0.000 0.262 112 N C -2.165 173.349 175.510 0.007 0.000 1.144 112 N CA -1.588 51.465 53.050 0.005 0.000 0.952 112 N CB 1.129 39.619 38.487 0.004 0.000 1.081 112 N HN 0.252 nan 8.380 nan 0.000 0.480 113 P HA -0.075 nan 4.420 nan 0.000 0.220 113 P C 1.448 178.753 177.300 0.009 0.000 1.148 113 P CA 1.143 64.249 63.100 0.009 0.000 0.803 113 P CB 0.264 31.972 31.700 0.012 0.000 0.782 114 M N -0.921 118.683 119.600 0.008 0.000 2.156 114 M HA -0.073 4.408 4.480 0.000 0.000 0.264 114 M C 1.487 177.790 176.300 0.005 0.000 1.067 114 M CA 1.501 56.805 55.300 0.007 0.000 1.131 114 M CB -1.688 30.916 32.600 0.007 0.000 1.368 114 M HN -0.051 nan 8.290 nan 0.000 0.416 115 D N 0.485 120.888 120.400 0.005 0.000 2.117 115 D HA -0.106 4.534 4.640 0.000 0.000 0.197 115 D C 2.140 178.442 176.300 0.004 0.000 0.987 115 D CA 0.922 54.924 54.000 0.004 0.000 0.829 115 D CB -0.101 40.701 40.800 0.003 0.000 0.961 115 D HN 0.133 nan 8.370 nan 0.000 0.460 116 L N 1.322 122.547 121.223 0.005 0.000 2.043 116 L HA -0.175 4.165 4.340 0.000 0.000 0.212 116 L C 2.247 179.119 176.870 0.005 0.000 1.075 116 L CA 1.559 56.402 54.840 0.005 0.000 0.752 116 L CB -0.808 41.254 42.059 0.006 0.000 0.891 116 L HN 0.018 nan 8.230 nan 0.000 0.432 117 K N -0.759 119.644 120.400 0.005 0.000 2.103 117 K HA -0.189 4.131 4.320 0.000 0.000 0.204 117 K C 2.318 178.919 176.600 0.002 0.000 1.052 117 K CA 1.021 57.311 56.287 0.004 0.000 0.945 117 K CB 0.066 32.570 32.500 0.006 0.000 0.722 117 K HN 0.057 nan 8.250 nan 0.000 0.443 118 R N -0.038 120.463 120.500 0.002 0.000 2.092 118 R HA -0.061 4.280 4.340 0.000 0.000 0.231 118 R C 2.167 178.467 176.300 -0.001 0.000 1.119 118 R CA 1.659 57.759 56.100 -0.000 0.000 0.970 118 R CB -0.498 29.802 30.300 0.000 0.000 0.864 118 R HN 0.373 nan 8.270 nan 0.000 0.440 119 G N 0.726 109.526 108.800 0.001 0.000 2.434 119 G HA2 -0.245 3.716 3.960 0.000 0.000 0.214 119 G HA3 -0.245 3.716 3.960 0.000 0.000 0.214 119 G C 1.409 176.309 174.900 0.000 0.000 1.202 119 G CA 1.011 46.111 45.100 0.001 0.000 0.788 119 G HN 0.266 nan 8.290 nan 0.000 0.539 120 I N 1.328 121.898 120.570 0.001 0.000 2.113 120 I HA -0.270 3.901 4.170 0.000 0.000 0.242 120 I C 2.399 178.514 176.117 -0.003 0.000 1.057 120 I CA 1.731 63.032 61.300 0.001 0.000 1.314 120 I CB -0.233 37.769 38.000 0.003 0.000 1.022 120 I HN 0.089 nan 8.210 nan 0.000 0.408 121 D N 0.416 120.813 120.400 -0.005 0.000 2.123 121 D HA -0.212 4.429 4.640 0.000 0.000 0.196 121 D C 2.088 178.382 176.300 -0.009 0.000 0.992 121 D CA 1.227 55.221 54.000 -0.010 0.000 0.833 121 D CB -0.246 40.548 40.800 -0.010 0.000 0.954 121 D HN 0.353 nan 8.370 nan 0.000 0.455 122 K N 0.609 121.005 120.400 -0.006 0.000 2.025 122 K HA -0.056 4.265 4.320 0.000 0.000 0.207 122 K C 2.056 178.653 176.600 -0.005 0.000 1.049 122 K CA 1.138 57.422 56.287 -0.005 0.000 0.933 122 K CB -0.039 32.459 32.500 -0.003 0.000 0.714 122 K HN 0.006 nan 8.250 nan 0.000 0.438 123 A N 0.803 123.621 122.820 -0.003 0.000 1.908 123 A HA -0.140 4.180 4.320 0.000 0.000 0.218 123 A C 2.232 179.814 177.584 -0.004 0.000 1.181 123 A CA 1.830 53.866 52.037 -0.001 0.000 0.627 123 A CB -0.728 18.273 19.000 0.001 0.000 0.818 123 A HN 0.193 nan 8.150 nan 0.000 0.445 124 V N -0.497 119.413 119.914 -0.007 0.000 2.343 124 V HA -0.229 3.891 4.120 0.000 0.000 0.247 124 V C 2.725 178.809 176.094 -0.016 0.000 1.051 124 V CA 2.439 64.732 62.300 -0.012 0.000 1.036 124 V CB -1.324 30.487 31.823 -0.020 0.000 0.654 124 V HN 0.609 nan 8.190 nan 0.000 0.451 125 T N 0.263 114.807 114.554 -0.017 0.000 2.635 125 T HA -0.209 4.141 4.350 0.000 0.000 0.267 125 T C 1.902 176.596 174.700 -0.011 0.000 1.040 125 T CA 1.985 64.075 62.100 -0.016 0.000 1.156 125 T CB -0.293 68.567 68.868 -0.014 0.000 0.863 125 T HN 0.303 nan 8.240 nan 0.000 0.430 126 V N 1.460 121.370 119.914 -0.007 0.000 2.379 126 V HA -0.080 4.040 4.120 0.000 0.000 0.245 126 V C 2.854 178.948 176.094 -0.001 0.000 1.044 126 V CA 1.429 63.727 62.300 -0.003 0.000 1.036 126 V CB -1.211 30.612 31.823 -0.001 0.000 0.664 126 V HN 0.523 nan 8.190 nan 0.000 0.453 127 A N -0.116 122.704 122.820 -0.001 0.000 1.940 127 A HA -0.177 4.144 4.320 0.000 0.000 0.219 127 A C 2.402 179.987 177.584 0.001 0.000 1.176 127 A CA 2.121 54.159 52.037 0.002 0.000 0.631 127 A CB -0.683 18.318 19.000 0.003 0.000 0.814 127 A HN 0.336 nan 8.150 nan 0.000 0.446 128 V N 0.136 120.047 119.914 -0.005 0.000 2.427 128 V HA -0.249 3.872 4.120 0.000 0.000 0.248 128 V C 2.371 178.463 176.094 -0.003 0.000 1.051 128 V CA 2.212 64.507 62.300 -0.007 0.000 1.048 128 V CB -0.762 31.051 31.823 -0.017 0.000 0.666 128 V HN 0.671 nan 8.190 nan 0.000 0.456 129 E N -0.382 119.816 120.200 -0.003 0.000 2.077 129 E HA -0.207 4.143 4.350 0.000 0.000 0.193 129 E C 2.241 178.843 176.600 0.003 0.000 0.989 129 E CA 1.224 57.624 56.400 -0.000 0.000 0.800 129 E CB -0.118 29.581 29.700 -0.001 0.000 0.746 129 E HN 0.610 nan 8.360 nan 0.000 0.452 130 E N 0.933 121.136 120.200 0.005 0.000 2.072 130 E HA -0.137 4.214 4.350 0.000 0.000 0.191 130 E C 2.373 178.980 176.600 0.011 0.000 0.985 130 E CA 0.552 56.957 56.400 0.009 0.000 0.801 130 E CB -0.227 29.479 29.700 0.011 0.000 0.750 130 E HN 0.308 nan 8.360 nan 0.000 0.452 131 L N 0.868 122.097 121.223 0.010 0.000 2.051 131 L HA -0.258 4.082 4.340 0.000 0.000 0.214 131 L C 2.674 179.551 176.870 0.011 0.000 1.076 131 L CA 1.497 56.344 54.840 0.012 0.000 0.758 131 L CB -0.398 41.667 42.059 0.010 0.000 0.890 131 L HN 0.096 nan 8.230 nan 0.000 0.433 132 K N -0.350 120.055 120.400 0.008 0.000 2.057 132 K HA -0.153 4.168 4.320 0.000 0.000 0.207 132 K C 2.080 178.686 176.600 0.009 0.000 1.049 132 K CA 1.336 57.627 56.287 0.007 0.000 0.931 132 K CB -0.091 32.411 32.500 0.004 0.000 0.714 132 K HN 0.311 nan 8.250 nan 0.000 0.440 133 A N 0.261 123.086 122.820 0.009 0.000 1.968 133 A HA -0.063 4.257 4.320 0.000 0.000 0.217 133 A C 1.880 179.473 177.584 0.014 0.000 1.169 133 A CA 0.839 52.882 52.037 0.010 0.000 0.638 133 A CB -0.280 18.725 19.000 0.010 0.000 0.812 133 A HN 0.300 nan 8.150 nan 0.000 0.446 134 L N -0.415 120.818 121.223 0.016 0.000 2.395 134 L HA 0.155 4.495 4.340 0.000 0.000 0.218 134 L C 1.294 178.176 176.870 0.019 0.000 1.130 134 L CA 0.651 55.503 54.840 0.020 0.000 0.826 134 L CB -0.303 41.770 42.059 0.023 0.000 0.941 134 L HN 0.230 nan 8.230 nan 0.000 0.451 135 S N -0.626 115.084 115.700 0.016 0.000 2.537 135 S HA 0.159 4.629 4.470 0.000 0.000 0.286 135 S C -0.114 174.495 174.600 0.015 0.000 1.299 135 S CA -0.521 57.689 58.200 0.015 0.000 1.067 135 S CB 0.247 63.455 63.200 0.013 0.000 0.864 135 S HN 0.032 nan 8.310 nan 0.000 0.494 136 V N 9.036 128.959 119.914 0.015 0.000 2.432 136 V HA 0.357 4.478 4.120 0.000 0.000 0.275 136 V C -1.718 174.383 176.094 0.012 0.000 1.043 136 V CA -1.706 60.603 62.300 0.014 0.000 0.925 136 V CB 1.049 32.881 31.823 0.015 0.000 0.985 136 V HN 0.764 nan 8.190 nan 0.000 0.466 137 P HA 0.111 nan 4.420 nan 0.000 0.271 137 P C -0.561 176.744 177.300 0.009 0.000 1.218 137 P CA -0.248 62.858 63.100 0.009 0.000 0.780 137 P CB 0.907 32.612 31.700 0.008 0.000 0.901 138 C N 3.019 122.324 119.300 0.009 0.000 2.816 138 C HA 0.503 4.963 4.460 0.000 0.000 0.255 138 C C 0.768 175.763 174.990 0.008 0.000 1.141 138 C CA 0.087 59.110 59.018 0.009 0.000 1.554 138 C CB -1.360 26.385 27.740 0.010 0.000 1.778 138 C HN 0.615 nan 8.230 nan 0.000 0.429 139 S N 1.408 117.112 115.700 0.007 0.000 3.009 139 S HA 0.273 4.744 4.470 0.000 0.000 0.254 139 S C -0.489 174.114 174.600 0.005 0.000 1.004 139 S CA -0.351 57.853 58.200 0.006 0.000 1.119 139 S CB -0.209 62.994 63.200 0.005 0.000 1.075 139 S HN 0.877 nan 8.310 nan 0.000 0.618 140 D N 0.082 120.485 120.400 0.005 0.000 2.419 140 D HA 0.413 5.053 4.640 0.000 0.000 0.234 140 D C 0.494 176.796 176.300 0.005 0.000 1.014 140 D CA -0.623 53.379 54.000 0.004 0.000 0.919 140 D CB 1.679 42.482 40.800 0.004 0.000 1.366 140 D HN -0.093 nan 8.370 nan 0.000 0.490 141 S N -0.013 115.690 115.700 0.004 0.000 2.387 141 S HA -0.194 4.276 4.470 0.000 0.000 0.230 141 S C 1.524 176.126 174.600 0.004 0.000 1.035 141 S CA 1.400 59.602 58.200 0.004 0.000 1.014 141 S CB -0.149 63.053 63.200 0.003 0.000 0.836 141 S HN 0.425 nan 8.310 nan 0.000 0.466 142 K N 2.000 122.402 120.400 0.004 0.000 2.025 142 K HA 0.142 4.462 4.320 0.000 0.000 0.207 142 K C 2.138 178.740 176.600 0.004 0.000 1.049 142 K CA 1.380 57.669 56.287 0.004 0.000 0.933 142 K CB -1.383 31.119 32.500 0.004 0.000 0.714 142 K HN 0.345 nan 8.250 nan 0.000 0.438 143 A N 1.323 124.146 122.820 0.005 0.000 1.933 143 A HA -0.063 4.257 4.320 0.000 0.000 0.218 143 A C 2.350 179.938 177.584 0.006 0.000 1.175 143 A CA 1.205 53.246 52.037 0.006 0.000 0.628 143 A CB -0.691 18.313 19.000 0.007 0.000 0.814 143 A HN 0.222 nan 8.150 nan 0.000 0.444 144 I N -0.212 120.362 120.570 0.006 0.000 2.163 144 I HA -0.314 3.857 4.170 0.000 0.000 0.243 144 I C 3.002 179.123 176.117 0.007 0.000 1.085 144 I CA 1.172 62.477 61.300 0.007 0.000 1.347 144 I CB -0.397 37.607 38.000 0.007 0.000 1.044 144 I HN 0.365 nan 8.210 nan 0.000 0.408 145 A N -0.061 122.762 122.820 0.005 0.000 1.908 145 A HA -0.285 4.035 4.320 0.000 0.000 0.218 145 A C 2.265 179.851 177.584 0.004 0.000 1.181 145 A CA 1.768 53.808 52.037 0.004 0.000 0.627 145 A CB -0.672 18.330 19.000 0.003 0.000 0.818 145 A HN 0.464 nan 8.150 nan 0.000 0.445 146 Q N -0.753 119.049 119.800 0.004 0.000 2.050 146 Q HA -0.112 4.228 4.340 0.000 0.000 0.202 146 Q C 2.152 178.154 176.000 0.003 0.000 0.980 146 Q CA 1.785 57.590 55.803 0.003 0.000 0.840 146 Q CB -0.231 28.509 28.738 0.003 0.000 0.898 146 Q HN 0.482 nan 8.270 nan 0.000 0.424 147 V N -0.193 119.724 119.914 0.006 0.000 2.358 147 V HA -0.186 3.935 4.120 0.000 0.000 0.246 147 V C 2.152 178.250 176.094 0.007 0.000 1.047 147 V CA 1.896 64.200 62.300 0.007 0.000 1.035 147 V CB -1.039 30.790 31.823 0.010 0.000 0.658 147 V HN 0.563 nan 8.190 nan 0.000 0.452 148 G N -0.240 108.565 108.800 0.007 0.000 2.422 148 G HA2 -0.316 3.644 3.960 0.000 0.000 0.218 148 G HA3 -0.316 3.644 3.960 0.000 0.000 0.218 148 G C 1.814 176.715 174.900 0.002 0.000 1.146 148 G CA 1.690 46.794 45.100 0.007 0.000 0.769 148 G HN 0.541 nan 8.290 nan 0.000 0.547 149 T N -0.641 113.913 114.554 0.001 0.000 2.985 149 T HA 0.085 4.436 4.350 0.000 0.000 0.266 149 T C 2.394 177.091 174.700 -0.004 0.000 1.076 149 T CA 0.866 62.965 62.100 -0.002 0.000 1.135 149 T CB -0.193 68.674 68.868 -0.003 0.000 0.890 149 T HN 0.234 nan 8.240 nan 0.000 0.480 150 I N 1.781 122.350 120.570 -0.003 0.000 2.202 150 I HA -0.104 4.066 4.170 0.000 0.000 0.242 150 I C 2.818 178.931 176.117 -0.006 0.000 1.091 150 I CA 1.309 62.606 61.300 -0.005 0.000 1.368 150 I CB -0.275 37.722 38.000 -0.004 0.000 1.058 150 I HN 0.279 nan 8.210 nan 0.000 0.410 151 S N 0.946 116.645 115.700 -0.002 0.000 2.442 151 S HA -0.047 4.423 4.470 0.000 0.000 0.236 151 S C 1.671 176.266 174.600 -0.009 0.000 1.007 151 S CA 0.984 59.182 58.200 -0.004 0.000 0.965 151 S CB -0.317 62.885 63.200 0.003 0.000 0.773 151 S HN 0.486 nan 8.310 nan 0.000 0.504 152 A N 1.401 124.215 122.820 -0.009 0.000 2.532 152 A HA 0.351 4.672 4.320 0.000 0.000 0.273 152 A C 0.681 178.258 177.584 -0.013 0.000 1.342 152 A CA -0.470 51.559 52.037 -0.013 0.000 0.929 152 A CB -0.717 18.276 19.000 -0.011 0.000 1.051 152 A HN 0.454 nan 8.150 nan 0.000 0.521 153 N N 0.034 118.726 118.700 -0.013 0.000 2.754 153 N HA -0.207 4.533 4.740 0.000 0.000 0.248 153 N C 0.026 175.529 175.510 -0.012 0.000 1.093 153 N CA 0.846 53.888 53.050 -0.014 0.000 0.699 153 N CB -1.019 37.459 38.487 -0.014 0.000 1.016 153 N HN 0.524 nan 8.380 nan 0.000 0.552 154 S N -1.169 114.525 115.700 -0.011 0.000 3.482 154 S HA -0.201 4.269 4.470 0.000 0.000 0.294 154 S C -0.335 174.260 174.600 -0.008 0.000 1.244 154 S CA 1.016 59.210 58.200 -0.010 0.000 0.911 154 S CB -0.813 62.380 63.200 -0.011 0.000 1.070 154 S HN 0.691 nan 8.310 nan 0.000 0.614 155 D N 1.823 122.218 120.400 -0.008 0.000 2.422 155 D HA 0.353 4.993 4.640 0.000 0.000 0.227 155 D C 1.167 177.464 176.300 -0.006 0.000 1.190 155 D CA -0.283 53.712 54.000 -0.007 0.000 0.905 155 D CB 0.621 41.416 40.800 -0.008 0.000 1.034 155 D HN 0.604 nan 8.370 nan 0.000 0.507 156 E N 1.052 121.249 120.200 -0.005 0.000 2.219 156 E HA -0.228 4.123 4.350 0.000 0.000 0.198 156 E C 1.248 177.846 176.600 -0.003 0.000 0.998 156 E CA 1.444 57.842 56.400 -0.003 0.000 0.818 156 E CB -0.299 29.399 29.700 -0.003 0.000 0.741 156 E HN 0.307 nan 8.360 nan 0.000 0.477 157 T N 0.425 114.977 114.554 -0.003 0.000 2.746 157 T HA -0.111 4.240 4.350 0.000 0.000 0.267 157 T C 1.959 176.657 174.700 -0.003 0.000 1.039 157 T CA 1.408 63.506 62.100 -0.003 0.000 1.142 157 T CB -0.287 68.578 68.868 -0.004 0.000 0.866 157 T HN 0.076 nan 8.240 nan 0.000 0.444 158 V N 1.393 121.304 119.914 -0.004 0.000 2.358 158 V HA -0.067 4.053 4.120 0.000 0.000 0.246 158 V C 2.854 178.947 176.094 -0.001 0.000 1.047 158 V CA 1.858 64.156 62.300 -0.003 0.000 1.035 158 V CB -1.385 30.434 31.823 -0.006 0.000 0.658 158 V HN 0.589 nan 8.190 nan 0.000 0.452 159 G N -0.484 108.316 108.800 -0.000 0.000 2.459 159 G HA2 -0.309 3.652 3.960 0.000 0.000 0.217 159 G HA3 -0.309 3.652 3.960 0.000 0.000 0.217 159 G C 1.652 176.554 174.900 0.003 0.000 1.183 159 G CA 1.105 46.206 45.100 0.002 0.000 0.776 159 G HN 0.431 nan 8.290 nan 0.000 0.552 160 K N -0.340 120.060 120.400 0.001 0.000 2.059 160 K HA -0.074 4.246 4.320 0.000 0.000 0.212 160 K C 2.595 179.196 176.600 0.002 0.000 1.050 160 K CA 1.284 57.572 56.287 0.001 0.000 0.927 160 K CB -0.309 32.191 32.500 0.000 0.000 0.714 160 K HN 0.306 nan 8.250 nan 0.000 0.447 161 L N 0.711 121.935 121.223 0.002 0.000 2.046 161 L HA -0.218 4.123 4.340 0.000 0.000 0.208 161 L C 2.309 179.182 176.870 0.005 0.000 1.077 161 L CA 0.697 55.538 54.840 0.002 0.000 0.747 161 L CB -0.380 41.680 42.059 0.001 0.000 0.896 161 L HN 0.225 nan 8.230 nan 0.000 0.432 162 I N 0.232 120.806 120.570 0.007 0.000 2.142 162 I HA -0.289 3.882 4.170 0.000 0.000 0.240 162 I C 2.886 179.008 176.117 0.009 0.000 1.078 162 I CA 1.707 63.014 61.300 0.010 0.000 1.343 162 I CB -1.528 36.480 38.000 0.013 0.000 1.046 162 I HN 0.203 nan 8.210 nan 0.000 0.405 163 A N 0.495 123.319 122.820 0.007 0.000 1.917 163 A HA -0.250 4.070 4.320 0.000 0.000 0.219 163 A C 2.285 179.872 177.584 0.005 0.000 1.182 163 A CA 1.971 54.012 52.037 0.006 0.000 0.633 163 A CB -0.752 18.251 19.000 0.005 0.000 0.819 163 A HN 0.506 nan 8.150 nan 0.000 0.448 164 E N -0.579 119.624 120.200 0.004 0.000 2.077 164 E HA -0.098 4.252 4.350 0.000 0.000 0.193 164 E C 2.368 178.970 176.600 0.004 0.000 0.989 164 E CA 0.956 57.357 56.400 0.003 0.000 0.800 164 E CB -0.273 29.429 29.700 0.002 0.000 0.746 164 E HN 0.634 nan 8.360 nan 0.000 0.452 165 A N 0.821 123.644 122.820 0.005 0.000 1.877 165 A HA -0.192 4.128 4.320 0.000 0.000 0.216 165 A C 2.125 179.712 177.584 0.005 0.000 1.186 165 A CA 1.409 53.449 52.037 0.005 0.000 0.620 165 A CB -0.445 18.560 19.000 0.008 0.000 0.822 165 A HN 0.172 nan 8.150 nan 0.000 0.443 166 M N -0.970 118.633 119.600 0.006 0.000 2.296 166 M HA -0.139 4.342 4.480 0.000 0.000 0.265 166 M C 1.728 178.030 176.300 0.003 0.000 1.064 166 M CA 1.784 57.087 55.300 0.005 0.000 1.109 166 M CB -0.233 32.371 32.600 0.006 0.000 1.396 166 M HN 0.605 nan 8.290 nan 0.000 0.430 167 D N 0.140 120.541 120.400 0.003 0.000 2.123 167 D HA -0.156 4.484 4.640 0.000 0.000 0.200 167 D C 1.838 178.140 176.300 0.002 0.000 0.976 167 D CA 1.198 55.200 54.000 0.002 0.000 0.831 167 D CB 0.196 40.997 40.800 0.002 0.000 0.974 167 D HN 0.042 nan 8.370 nan 0.000 0.469 168 K N -1.024 119.377 120.400 0.002 0.000 2.362 168 K HA 0.064 4.384 4.320 0.000 0.000 0.200 168 K C 0.859 177.460 176.600 0.001 0.000 1.046 168 K CA 0.539 56.827 56.287 0.001 0.000 0.952 168 K CB 0.358 32.859 32.500 0.001 0.000 0.753 168 K HN 0.070 nan 8.250 nan 0.000 0.466 169 V N -0.955 118.960 119.914 0.001 0.000 3.544 169 V HA 0.289 4.409 4.120 0.000 0.000 0.298 169 V C -0.563 175.531 176.094 0.000 0.000 1.580 169 V CA 0.358 62.659 62.300 0.001 0.000 1.122 169 V CB 0.727 32.551 31.823 0.001 0.000 0.951 169 V HN 0.419 nan 8.190 nan 0.000 0.448 170 G N 1.040 109.840 108.800 0.001 0.000 2.719 170 G HA2 -0.173 3.787 3.960 0.000 0.000 0.686 170 G HA3 -0.173 3.787 3.960 0.000 0.000 0.686 170 G C 0.126 175.026 174.900 0.001 0.000 1.201 170 G CA 0.063 45.164 45.100 0.000 0.000 0.768 170 G HN 0.296 nan 8.290 nan 0.000 0.629 171 K N 0.386 120.787 120.400 0.001 0.000 2.063 171 K HA -0.115 4.206 4.320 0.000 0.000 0.208 171 K C 1.915 178.514 176.600 -0.001 0.000 1.048 171 K CA 1.853 58.141 56.287 0.001 0.000 0.928 171 K CB -0.032 32.469 32.500 0.002 0.000 0.713 171 K HN 0.423 nan 8.250 nan 0.000 0.442 172 E N 0.429 120.628 120.200 -0.003 0.000 2.482 172 E HA 0.027 4.377 4.350 0.000 0.000 0.196 172 E C 0.870 177.466 176.600 -0.007 0.000 1.047 172 E CA 0.181 56.578 56.400 -0.006 0.000 0.869 172 E CB -0.386 29.311 29.700 -0.005 0.000 0.836 172 E HN 0.330 nan 8.360 nan 0.000 0.520 173 G N 0.449 109.246 108.800 -0.004 0.000 2.716 173 G HA2 0.175 4.135 3.960 0.000 0.000 0.251 173 G HA3 0.175 4.135 3.960 0.000 0.000 0.251 173 G C -0.346 174.551 174.900 -0.006 0.000 1.224 173 G CA -0.231 44.867 45.100 -0.003 0.000 0.891 173 G HN 0.142 nan 8.290 nan 0.000 0.561 174 V N 0.413 120.325 119.914 -0.004 0.000 2.407 174 V HA 0.690 4.810 4.120 0.000 0.000 0.278 174 V C -0.339 175.753 176.094 -0.003 0.000 1.037 174 V CA -0.752 61.543 62.300 -0.008 0.000 0.900 174 V CB 0.450 32.267 31.823 -0.010 0.000 0.983 174 V HN 0.463 nan 8.190 nan 0.000 0.459 175 I N 6.632 127.202 120.570 -0.000 0.000 2.466 175 I HA 0.515 4.686 4.170 0.000 0.000 0.289 175 I C 0.159 176.285 176.117 0.016 0.000 1.026 175 I CA -0.353 60.953 61.300 0.009 0.000 1.078 175 I CB 2.388 40.398 38.000 0.016 0.000 1.249 175 I HN 0.780 nan 8.210 nan 0.000 0.429 176 T N 2.628 117.190 114.554 0.014 0.000 2.940 176 T HA 0.781 5.132 4.350 0.000 0.000 0.288 176 T C -0.437 174.273 174.700 0.017 0.000 1.045 176 T CA -0.851 61.261 62.100 0.019 0.000 1.018 176 T CB 2.236 71.110 68.868 0.009 0.000 1.151 176 T HN 0.178 nan 8.240 nan 0.000 0.529 177 V N 1.102 121.026 119.914 0.017 0.000 2.495 177 V HA 0.578 4.698 4.120 0.000 0.000 0.298 177 V C -0.275 175.821 176.094 0.002 0.000 1.031 177 V CA -0.766 61.538 62.300 0.007 0.000 0.871 177 V CB 1.312 33.137 31.823 0.004 0.000 0.988 177 V HN 0.976 nan 8.190 nan 0.000 0.432 178 E N 1.376 121.575 120.200 -0.001 0.000 2.378 178 E HA 0.430 4.780 4.350 0.000 0.000 0.265 178 E C -1.447 175.150 176.600 -0.005 0.000 0.932 178 E CA -1.107 55.291 56.400 -0.003 0.000 0.795 178 E CB 1.540 31.238 29.700 -0.004 0.000 1.296 178 E HN 0.625 nan 8.360 nan 0.000 0.438 179 D N 0.670 121.067 120.400 -0.005 0.000 2.449 179 D HA 0.171 4.811 4.640 0.000 0.000 0.236 179 D C 0.205 176.502 176.300 -0.005 0.000 1.149 179 D CA 0.422 54.418 54.000 -0.006 0.000 0.878 179 D CB 0.688 41.485 40.800 -0.005 0.000 1.198 179 D HN 0.479 nan 8.370 nan 0.000 0.446 180 G N -0.638 108.159 108.800 -0.005 0.000 2.543 180 G HA2 0.389 4.349 3.960 0.000 0.000 0.290 180 G HA3 0.389 4.349 3.960 0.000 0.000 0.290 180 G C 0.692 175.589 174.900 -0.004 0.000 1.310 180 G CA -0.168 44.930 45.100 -0.004 0.000 1.025 180 G HN 0.473 nan 8.290 nan 0.000 0.502 181 T N -3.732 110.819 114.554 -0.004 0.000 3.003 181 T HA 0.528 4.879 4.350 0.000 0.000 0.261 181 T C 0.905 175.603 174.700 -0.003 0.000 1.003 181 T CA 0.710 62.808 62.100 -0.004 0.000 0.917 181 T CB 0.630 69.495 68.868 -0.004 0.000 1.084 181 T HN 1.185 nan 8.240 nan 0.000 0.522 182 G N 0.954 109.753 108.800 -0.003 0.000 2.694 182 G HA2 0.460 4.420 3.960 0.000 0.000 0.246 182 G HA3 0.460 4.420 3.960 0.000 0.000 0.246 182 G C -0.219 174.679 174.900 -0.003 0.000 1.205 182 G CA -0.152 44.947 45.100 -0.003 0.000 0.891 182 G HN 0.103 nan 8.290 nan 0.000 0.515 183 L N -0.022 121.200 121.223 -0.003 0.000 2.131 183 L HA 0.321 4.661 4.340 0.000 0.000 0.206 183 L C 1.108 177.976 176.870 -0.003 0.000 1.087 183 L CA 1.337 56.175 54.840 -0.003 0.000 0.767 183 L CB -0.490 41.567 42.059 -0.002 0.000 0.917 183 L HN 0.359 nan 8.230 nan 0.000 0.441 184 Q N 1.270 121.068 119.800 -0.003 0.000 2.340 184 Q HA 0.128 4.469 4.340 0.000 0.000 0.249 184 Q C -0.688 175.310 176.000 -0.003 0.000 0.957 184 Q CA -0.163 55.639 55.803 -0.003 0.000 0.882 184 Q CB 0.581 29.318 28.738 -0.002 0.000 1.235 184 Q HN 0.277 nan 8.270 nan 0.000 0.439 185 D N 1.681 122.080 120.400 -0.003 0.000 2.313 185 D HA 0.210 4.850 4.640 0.000 0.000 0.247 185 D C -0.025 176.273 176.300 -0.002 0.000 1.094 185 D CA 0.029 54.028 54.000 -0.003 0.000 0.925 185 D CB 1.062 41.861 40.800 -0.002 0.000 1.188 185 D HN 0.312 nan 8.370 nan 0.000 0.430 186 E N 0.407 120.606 120.200 -0.002 0.000 2.343 186 E HA 0.587 4.938 4.350 0.000 0.000 0.270 186 E C -0.987 175.612 176.600 -0.001 0.000 0.895 186 E CA -1.056 55.343 56.400 -0.002 0.000 0.767 186 E CB 2.674 32.373 29.700 -0.002 0.000 1.248 186 E HN 0.094 nan 8.360 nan 0.000 0.440 187 L N 2.172 123.395 121.223 -0.001 0.000 2.482 187 L HA 0.391 4.732 4.340 0.000 0.000 0.269 187 L C -2.007 174.863 176.870 -0.001 0.000 0.967 187 L CA -0.237 54.603 54.840 -0.000 0.000 0.851 187 L CB 1.344 43.404 42.059 0.001 0.000 1.242 187 L HN 0.574 nan 8.230 nan 0.000 0.404 188 D N 3.689 124.088 120.400 -0.001 0.000 2.570 188 D HA 0.526 5.166 4.640 0.000 0.000 0.244 188 D C -1.137 175.162 176.300 -0.001 0.000 1.178 188 D CA -0.543 53.456 54.000 -0.001 0.000 0.881 188 D CB 2.073 42.872 40.800 -0.002 0.000 1.453 188 D HN 0.239 nan 8.370 nan 0.000 0.447 189 V N 0.303 120.217 119.914 -0.001 0.000 2.472 189 V HA 0.643 4.764 4.120 0.000 0.000 0.290 189 V C -0.115 175.978 176.094 -0.001 0.000 1.037 189 V CA -0.692 61.607 62.300 -0.000 0.000 0.908 189 V CB 1.595 33.418 31.823 0.000 0.000 0.985 189 V HN 0.543 nan 8.190 nan 0.000 0.454 190 V N 2.692 122.606 119.914 -0.000 0.000 3.007 190 V HA 0.484 4.604 4.120 0.000 0.000 0.311 190 V C -0.552 175.543 176.094 0.001 0.000 1.120 190 V CA -0.782 61.517 62.300 -0.001 0.000 0.980 190 V CB 2.613 34.434 31.823 -0.002 0.000 1.033 190 V HN 0.899 nan 8.190 nan 0.000 0.429 191 E N 2.217 122.418 120.200 0.001 0.000 2.414 191 E HA 0.510 4.860 4.350 0.000 0.000 0.263 191 E C 0.310 176.915 176.600 0.008 0.000 1.000 191 E CA 0.807 57.210 56.400 0.005 0.000 0.914 191 E CB 0.984 30.687 29.700 0.004 0.000 0.948 191 E HN 1.025 nan 8.360 nan 0.000 0.444 192 G N 0.898 109.707 108.800 0.014 0.000 2.320 192 G HA2 0.490 4.450 3.960 0.000 0.000 0.296 192 G HA3 0.490 4.450 3.960 0.000 0.000 0.296 192 G C -1.331 173.588 174.900 0.032 0.000 1.306 192 G CA -0.685 44.428 45.100 0.021 0.000 0.836 192 G HN 0.415 nan 8.290 nan 0.000 0.517 193 M N -0.044 119.583 119.600 0.044 0.000 2.523 193 M HA 0.499 4.979 4.480 0.000 0.000 0.287 193 M C -2.023 174.318 176.300 0.068 0.000 1.160 193 M CA -0.576 54.766 55.300 0.070 0.000 0.902 193 M CB 2.430 35.100 32.600 0.116 0.000 1.752 193 M HN 0.765 nan 8.290 nan 0.000 0.504 194 Q N 3.570 123.409 119.800 0.065 0.000 2.337 194 Q HA 0.735 5.075 4.340 0.000 0.000 0.270 194 Q C -2.026 174.034 176.000 0.100 0.000 1.043 194 Q CA -0.681 55.126 55.803 0.007 0.000 0.794 194 Q CB 1.832 30.544 28.738 -0.042 0.000 1.281 194 Q HN 0.562 nan 8.270 nan 0.000 0.446 195 F N -0.184 119.756 119.950 -0.017 0.000 2.611 195 F HA 0.563 5.090 4.527 0.001 0.000 0.324 195 F C -0.826 174.963 175.800 -0.020 0.000 1.061 195 F CA -1.250 56.740 58.000 -0.016 0.000 0.954 195 F CB 1.168 40.160 39.000 -0.013 0.000 1.301 195 F HN 0.378 nan 8.300 nan 0.000 0.482 196 D N 1.761 122.274 120.400 0.189 0.000 2.896 196 D HA 0.272 4.912 4.640 0.000 0.000 0.240 196 D C -0.636 175.709 176.300 0.076 0.000 1.193 196 D CA -0.047 53.989 54.000 0.061 0.000 0.983 196 D CB -0.019 40.814 40.800 0.054 0.000 1.074 196 D HN 0.204 nan 8.370 nan 0.000 0.496 197 R N 0.689 121.205 120.500 0.026 0.000 2.538 197 R HA 0.561 4.901 4.340 0.000 0.000 0.292 197 R C 0.323 176.568 176.300 -0.092 0.000 1.008 197 R CA -0.752 55.376 56.100 0.046 0.000 0.896 197 R CB 1.790 32.245 30.300 0.259 0.000 1.187 197 R HN 0.281 nan 8.270 nan 0.000 0.440 198 G N 1.270 109.993 108.800 -0.128 0.000 2.543 198 G HA2 0.344 4.304 3.960 0.000 0.000 0.290 198 G HA3 0.344 4.304 3.960 0.000 0.000 0.290 198 G C -0.490 174.334 174.900 -0.127 0.000 1.310 198 G CA -0.460 44.488 45.100 -0.254 0.000 1.025 198 G HN 0.469 nan 8.290 nan 0.000 0.502 199 Y N -1.380 118.944 120.300 0.040 0.000 2.550 199 Y HA 0.292 4.842 4.550 0.000 0.000 0.343 199 Y C 1.230 177.222 175.900 0.153 0.000 1.245 199 Y CA -0.883 57.282 58.100 0.109 0.000 1.462 199 Y CB 0.368 38.938 38.460 0.182 0.000 1.340 199 Y HN 0.186 nan 8.280 nan 0.000 0.604 200 L N 1.501 123.017 121.223 0.488 0.000 2.375 200 L HA 0.067 4.408 4.340 0.000 0.000 0.215 200 L C 0.757 177.850 176.870 0.372 0.000 1.108 200 L CA 0.984 56.051 54.840 0.378 0.000 0.830 200 L CB -0.078 42.168 42.059 0.312 0.000 0.959 200 L HN 0.846 nan 8.230 nan 0.000 0.457 201 S N -2.202 113.748 115.700 0.417 0.000 2.549 201 S HA 0.407 4.877 4.470 0.000 0.000 0.280 201 S C -2.313 172.139 174.600 -0.246 0.000 1.109 201 S CA -1.280 56.947 58.200 0.045 0.000 0.905 201 S CB 1.821 64.938 63.200 -0.138 0.000 1.081 201 S HN -0.251 nan 8.310 nan 0.000 0.477 202 P HA -0.059 nan 4.420 nan 0.000 0.222 202 P C 0.320 177.171 177.300 -0.748 0.000 1.142 202 P CA 1.094 63.730 63.100 -0.773 0.000 0.788 202 P CB -0.211 31.135 31.700 -0.591 0.000 0.767 203 Y N -2.756 117.262 120.300 -0.470 0.000 2.475 203 Y HA 0.034 4.585 4.550 0.001 0.000 0.289 203 Y C 1.821 177.489 175.900 -0.387 0.000 1.121 203 Y CA 0.427 58.273 58.100 -0.425 0.000 1.257 203 Y CB -1.190 37.011 38.460 -0.431 0.000 1.026 203 Y HN -0.081 nan 8.280 nan 0.000 0.555 204 F N -0.070 119.832 119.950 -0.079 0.000 2.451 204 F HA -0.033 4.495 4.527 0.000 0.000 0.299 204 F C 0.987 176.728 175.800 -0.099 0.000 1.101 204 F CA -0.176 57.788 58.000 -0.060 0.000 1.436 204 F CB -0.954 38.026 39.000 -0.033 0.000 1.074 204 F HN -0.149 nan 8.300 nan 0.000 0.553 205 I N 2.931 123.459 120.570 -0.070 0.000 2.948 205 I HA -0.193 3.977 4.170 0.000 0.000 0.284 205 I C 0.871 176.977 176.117 -0.018 0.000 1.181 205 I CA 0.261 61.511 61.300 -0.083 0.000 1.372 205 I CB -0.152 37.734 38.000 -0.191 0.000 1.443 205 I HN 0.218 nan 8.210 nan 0.000 0.554 206 N N 5.685 124.396 118.700 0.017 0.000 2.280 206 N HA -0.010 4.730 4.740 0.000 0.000 0.192 206 N C 0.057 175.567 175.510 -0.001 0.000 1.109 206 N CA 0.185 53.243 53.050 0.012 0.000 0.855 206 N CB 0.343 38.847 38.487 0.028 0.000 0.974 206 N HN 0.400 nan 8.380 nan 0.000 0.482 207 K N 1.160 121.559 120.400 -0.000 0.000 2.606 207 K HA 0.242 4.563 4.320 0.000 0.000 0.196 207 K C -2.061 174.533 176.600 -0.010 0.000 1.048 207 K CA -1.693 54.592 56.287 -0.004 0.000 1.017 207 K CB 1.986 34.489 32.500 0.005 0.000 1.413 207 K HN 0.016 nan 8.250 nan 0.000 0.568 208 P HA -0.188 nan 4.420 nan 0.000 0.221 208 P C 0.319 177.607 177.300 -0.021 0.000 1.145 208 P CA 1.335 64.416 63.100 -0.031 0.000 0.795 208 P CB 0.436 32.107 31.700 -0.048 0.000 0.775 209 E N -0.519 119.670 120.200 -0.018 0.000 2.107 209 E HA -0.070 4.280 4.350 0.000 0.000 0.191 209 E C 1.802 178.399 176.600 -0.006 0.000 0.982 209 E CA 1.365 57.757 56.400 -0.014 0.000 0.809 209 E CB -1.444 28.246 29.700 -0.016 0.000 0.756 209 E HN 0.218 nan 8.360 nan 0.000 0.459 210 T N -0.614 113.942 114.554 0.003 0.000 3.067 210 T HA 0.188 4.538 4.350 0.000 0.000 0.257 210 T C 1.279 176.001 174.700 0.036 0.000 1.105 210 T CA 0.511 62.621 62.100 0.018 0.000 1.104 210 T CB 0.026 68.909 68.868 0.024 0.000 0.925 210 T HN 0.406 nan 8.240 nan 0.000 0.498 211 G N 1.748 110.564 108.800 0.028 0.000 2.273 211 G HA2 -0.009 3.951 3.960 0.000 0.000 0.280 211 G HA3 -0.009 3.951 3.960 0.000 0.000 0.280 211 G C 0.065 175.024 174.900 0.098 0.000 1.047 211 G CA 0.071 45.197 45.100 0.043 0.000 0.869 211 G HN 0.894 nan 8.290 nan 0.000 0.502 212 A N -1.264 121.601 122.820 0.075 0.000 2.350 212 A HA 0.925 5.245 4.320 0.000 0.000 0.318 212 A C -0.119 177.514 177.584 0.082 0.000 1.132 212 A CA -0.352 51.750 52.037 0.108 0.000 0.811 212 A CB 2.069 21.114 19.000 0.075 0.000 1.313 212 A HN 1.217 nan 8.150 nan 0.000 0.454 213 V N 0.999 120.980 119.914 0.112 0.000 2.370 213 V HA 0.495 4.615 4.120 0.000 0.000 0.283 213 V C -0.161 175.964 176.094 0.052 0.000 1.023 213 V CA -0.301 62.050 62.300 0.085 0.000 0.857 213 V CB 1.063 32.959 31.823 0.123 0.000 0.985 213 V HN 0.914 nan 8.190 nan 0.000 0.443 214 E N 4.532 124.752 120.200 0.034 0.000 2.244 214 E HA 0.632 4.982 4.350 0.000 0.000 0.260 214 E C -1.615 174.991 176.600 0.011 0.000 0.884 214 E CA -0.498 55.912 56.400 0.017 0.000 0.777 214 E CB 1.667 31.375 29.700 0.014 0.000 1.197 214 E HN 0.614 nan 8.360 nan 0.000 0.416 215 L N 3.238 124.462 121.223 0.002 0.000 2.362 215 L HA 0.501 4.841 4.340 0.000 0.000 0.271 215 L C -0.217 176.645 176.870 -0.014 0.000 1.002 215 L CA -0.922 53.917 54.840 -0.002 0.000 0.818 215 L CB 1.857 43.913 42.059 -0.004 0.000 1.298 215 L HN 0.392 nan 8.230 nan 0.000 0.420 216 E N 1.391 121.581 120.200 -0.018 0.000 2.151 216 E HA 0.262 4.612 4.350 0.000 0.000 0.275 216 E C -0.234 176.334 176.600 -0.053 0.000 0.936 216 E CA -0.572 55.809 56.400 -0.030 0.000 0.777 216 E CB 1.704 31.391 29.700 -0.023 0.000 1.108 216 E HN 0.606 nan 8.360 nan 0.000 0.401 217 S N 1.779 117.434 115.700 -0.074 0.000 3.549 217 S HA -0.123 4.347 4.470 0.000 0.000 0.366 217 S C -2.113 172.375 174.600 -0.188 0.000 1.012 217 S CA 0.363 58.486 58.200 -0.129 0.000 1.141 217 S CB -1.306 61.815 63.200 -0.131 0.000 0.910 217 S HN 0.484 nan 8.310 nan 0.000 0.471 218 P HA 0.409 nan 4.420 nan 0.000 0.277 218 P C 0.092 177.301 177.300 -0.151 0.000 1.240 218 P CA -0.516 62.527 63.100 -0.096 0.000 0.798 218 P CB 0.441 32.128 31.700 -0.021 0.000 0.979 219 F N 1.035 120.985 119.950 0.000 0.000 2.382 219 F HA 0.349 4.877 4.527 0.000 0.000 0.331 219 F C 0.967 176.767 175.800 0.000 0.000 1.121 219 F CA 0.103 58.104 58.000 0.001 0.000 1.183 219 F CB 0.387 39.387 39.000 0.000 0.000 1.207 219 F HN 0.078 nan 8.300 nan 0.000 0.555 220 I N 3.859 124.562 120.570 0.220 0.000 2.439 220 I HA 0.242 4.412 4.170 0.000 0.000 0.285 220 I C -1.249 174.925 176.117 0.095 0.000 1.021 220 I CA -0.826 60.546 61.300 0.121 0.000 1.091 220 I CB 1.726 39.778 38.000 0.088 0.000 1.242 220 I HN 0.255 nan 8.210 nan 0.000 0.439 221 L N 8.299 129.559 121.223 0.062 0.000 2.265 221 L HA 0.536 4.876 4.340 0.000 0.000 0.288 221 L C -1.058 175.826 176.870 0.023 0.000 1.058 221 L CA -0.051 54.808 54.840 0.032 0.000 0.809 221 L CB 0.749 42.817 42.059 0.015 0.000 1.179 221 L HN 0.449 nan 8.230 nan 0.000 0.429 222 L N 6.389 127.621 121.223 0.014 0.000 2.262 222 L HA 0.772 5.112 4.340 0.000 0.000 0.288 222 L C -0.002 176.865 176.870 -0.005 0.000 1.035 222 L CA -0.296 54.544 54.840 0.001 0.000 0.820 222 L CB 1.267 43.322 42.059 -0.007 0.000 1.204 222 L HN 0.803 nan 8.230 nan 0.000 0.424 223 A N 1.885 124.702 122.820 -0.005 0.000 2.340 223 A HA 0.418 4.738 4.320 0.000 0.000 0.297 223 A C -0.815 176.766 177.584 -0.005 0.000 1.195 223 A CA -0.546 51.489 52.037 -0.004 0.000 0.769 223 A CB 0.867 19.868 19.000 0.001 0.000 1.163 223 A HN 0.671 nan 8.150 nan 0.000 0.472 224 D N 2.689 123.084 120.400 -0.009 0.000 2.470 224 D HA 0.454 5.095 4.640 0.000 0.000 0.226 224 D C -0.078 176.222 176.300 -0.000 0.000 1.196 224 D CA 0.432 54.426 54.000 -0.009 0.000 0.979 224 D CB -0.437 40.354 40.800 -0.015 0.000 1.059 224 D HN 0.676 nan 8.370 nan 0.000 0.515 225 K N 0.253 120.657 120.400 0.006 0.000 3.245 225 K HA 0.147 4.467 4.320 0.000 0.000 0.350 225 K C -1.565 175.046 176.600 0.018 0.000 1.129 225 K CA -1.053 55.241 56.287 0.012 0.000 0.883 225 K CB 0.269 32.774 32.500 0.009 0.000 1.411 225 K HN -0.071 nan 8.250 nan 0.000 0.412 226 K N 1.534 121.947 120.400 0.021 0.000 2.276 226 K HA 0.364 4.684 4.320 0.000 0.000 0.283 226 K C -0.433 176.183 176.600 0.025 0.000 1.044 226 K CA -0.417 55.886 56.287 0.026 0.000 0.944 226 K CB 0.662 33.179 32.500 0.027 0.000 1.012 226 K HN 0.404 nan 8.250 nan 0.000 0.472 227 I N 3.011 123.599 120.570 0.030 0.000 2.310 227 I HA 0.017 4.187 4.170 0.000 0.000 0.287 227 I C 0.647 176.785 176.117 0.035 0.000 1.073 227 I CA 0.029 61.348 61.300 0.030 0.000 1.216 227 I CB 1.246 39.265 38.000 0.032 0.000 1.415 227 I HN 0.677 nan 8.210 nan 0.000 0.480 228 S N 3.691 119.409 115.700 0.029 0.000 2.444 228 S HA 0.144 4.614 4.470 0.000 0.000 0.223 228 S C 0.841 175.457 174.600 0.027 0.000 1.054 228 S CA 0.149 58.366 58.200 0.029 0.000 0.947 228 S CB 0.111 63.325 63.200 0.024 0.000 0.850 228 S HN 0.588 nan 8.310 nan 0.000 0.527 229 N N 1.489 120.203 118.700 0.022 0.000 2.524 229 N HA 0.265 5.006 4.740 0.000 0.000 0.283 229 N C 0.322 175.845 175.510 0.020 0.000 1.142 229 N CA -0.124 52.937 53.050 0.019 0.000 0.984 229 N CB 1.466 39.961 38.487 0.014 0.000 1.155 229 N HN 0.105 nan 8.380 nan 0.000 0.467 230 I N 1.859 122.441 120.570 0.020 0.000 3.226 230 I HA -0.036 4.134 4.170 0.000 0.000 0.277 230 I C 1.799 177.924 176.117 0.013 0.000 1.243 230 I CA 0.323 61.635 61.300 0.020 0.000 1.459 230 I CB 0.183 38.196 38.000 0.022 0.000 1.093 230 I HN 0.423 nan 8.210 nan 0.000 0.453 231 R N 1.091 121.597 120.500 0.010 0.000 2.113 231 R HA -0.233 4.107 4.340 0.000 0.000 0.244 231 R C 1.809 178.112 176.300 0.004 0.000 1.142 231 R CA 2.158 58.261 56.100 0.006 0.000 0.953 231 R CB -0.411 29.892 30.300 0.005 0.000 0.860 231 R HN 0.537 nan 8.270 nan 0.000 0.438 232 E N -0.056 120.148 120.200 0.005 0.000 2.268 232 E HA -0.139 4.211 4.350 0.000 0.000 0.195 232 E C 1.850 178.450 176.600 0.000 0.000 0.995 232 E CA 0.711 57.112 56.400 0.002 0.000 0.836 232 E CB -0.014 29.689 29.700 0.004 0.000 0.763 232 E HN 0.251 nan 8.360 nan 0.000 0.491 233 M N 0.524 120.127 119.600 0.004 0.000 2.160 233 M HA -0.006 4.474 4.480 0.000 0.000 0.264 233 M C 2.371 178.669 176.300 -0.004 0.000 1.073 233 M CA 1.046 56.347 55.300 0.003 0.000 1.142 233 M CB -0.848 31.759 32.600 0.012 0.000 1.358 233 M HN 0.129 nan 8.290 nan 0.000 0.422 234 L N 0.586 121.808 121.223 -0.001 0.000 2.011 234 L HA -0.275 4.065 4.340 0.000 0.000 0.225 234 L C -0.357 176.505 176.870 -0.012 0.000 1.084 234 L CA 2.036 56.874 54.840 -0.004 0.000 0.791 234 L CB -2.830 39.228 42.059 -0.002 0.000 0.898 234 L HN 0.186 nan 8.230 nan 0.000 0.440 235 P HA -0.150 nan 4.420 nan 0.000 0.216 235 P C 1.834 179.112 177.300 -0.037 0.000 1.150 235 P CA 1.658 64.744 63.100 -0.024 0.000 0.843 235 P CB -0.045 31.642 31.700 -0.022 0.000 0.787 236 V N 0.201 120.091 119.914 -0.040 0.000 2.346 236 V HA -0.161 3.959 4.120 0.000 0.000 0.244 236 V C 2.855 178.914 176.094 -0.057 0.000 1.037 236 V CA 1.241 63.505 62.300 -0.061 0.000 1.029 236 V CB -1.326 30.463 31.823 -0.056 0.000 0.663 236 V HN -0.008 nan 8.190 nan 0.000 0.454 237 L N -0.097 121.108 121.223 -0.030 0.000 2.081 237 L HA -0.243 4.097 4.340 0.000 0.000 0.212 237 L C 2.635 179.496 176.870 -0.014 0.000 1.080 237 L CA 1.808 56.639 54.840 -0.014 0.000 0.754 237 L CB -0.446 41.614 42.059 0.002 0.000 0.893 237 L HN 0.467 nan 8.230 nan 0.000 0.433 238 E N -0.314 119.874 120.200 -0.019 0.000 2.046 238 E HA -0.160 4.190 4.350 0.000 0.000 0.190 238 E C 2.278 178.861 176.600 -0.028 0.000 0.982 238 E CA 1.008 57.399 56.400 -0.016 0.000 0.800 238 E CB -0.170 29.521 29.700 -0.014 0.000 0.756 238 E HN 0.472 nan 8.360 nan 0.000 0.449 239 A N 0.935 123.724 122.820 -0.052 0.000 1.978 239 A HA -0.157 4.163 4.320 0.000 0.000 0.220 239 A C 2.417 179.941 177.584 -0.101 0.000 1.170 239 A CA 1.142 53.131 52.037 -0.079 0.000 0.636 239 A CB -0.528 18.406 19.000 -0.111 0.000 0.810 239 A HN 0.120 nan 8.150 nan 0.000 0.448 240 V N -0.545 119.311 119.914 -0.097 0.000 2.379 240 V HA -0.158 3.963 4.120 0.000 0.000 0.245 240 V C 2.998 179.116 176.094 0.040 0.000 1.044 240 V CA 1.656 63.924 62.300 -0.054 0.000 1.036 240 V CB -1.019 30.791 31.823 -0.021 0.000 0.664 240 V HN 0.596 nan 8.190 nan 0.000 0.453 241 A N -0.724 122.110 122.820 0.023 0.000 1.972 241 A HA -0.219 4.101 4.320 0.000 0.000 0.219 241 A C 2.304 179.910 177.584 0.036 0.000 1.169 241 A CA 1.717 53.775 52.037 0.034 0.000 0.635 241 A CB -0.416 18.597 19.000 0.022 0.000 0.810 241 A HN 0.463 nan 8.150 nan 0.000 0.446 242 K N -0.667 119.747 120.400 0.023 0.000 2.211 242 K HA 0.015 4.335 4.320 0.000 0.000 0.203 242 K C 1.862 178.491 176.600 0.047 0.000 1.050 242 K CA 0.907 57.208 56.287 0.024 0.000 0.945 242 K CB -0.144 32.359 32.500 0.005 0.000 0.732 242 K HN 0.450 nan 8.250 nan 0.000 0.451 243 A N -0.177 122.693 122.820 0.083 0.000 2.218 243 A HA 0.170 4.490 4.320 0.000 0.000 0.209 243 A C 1.340 178.996 177.584 0.121 0.000 1.168 243 A CA 0.902 53.023 52.037 0.139 0.000 0.804 243 A CB -0.089 19.089 19.000 0.297 0.000 0.834 243 A HN 0.403 nan 8.150 nan 0.000 0.482 244 G N -0.656 108.202 108.800 0.097 0.000 2.168 244 G HA2 -0.294 3.667 3.960 0.000 0.000 0.263 244 G HA3 -0.294 3.667 3.960 0.000 0.000 0.263 244 G C 0.272 175.215 174.900 0.072 0.000 0.977 244 G CA 0.921 46.063 45.100 0.070 0.000 0.659 244 G HN 0.598 nan 8.290 nan 0.000 0.533 245 K N 1.021 121.490 120.400 0.116 0.000 2.095 245 K HA 0.576 4.896 4.320 0.000 0.000 0.252 245 K C -1.877 174.791 176.600 0.114 0.000 0.977 245 K CA -1.759 54.579 56.287 0.085 0.000 0.900 245 K CB 1.643 34.156 32.500 0.022 0.000 1.060 245 K HN 0.094 nan 8.250 nan 0.000 0.449 246 P HA 0.225 nan 4.420 nan 0.000 0.282 246 P C -1.409 175.951 177.300 0.100 0.000 1.287 246 P CA -0.578 62.563 63.100 0.069 0.000 0.792 246 P CB 0.651 32.370 31.700 0.033 0.000 1.163 247 L N 0.193 121.460 121.223 0.073 0.000 2.436 247 L HA 0.543 4.884 4.340 0.000 0.000 0.268 247 L C -1.598 175.282 176.870 0.015 0.000 0.974 247 L CA -0.938 53.950 54.840 0.080 0.000 0.826 247 L CB 1.698 43.804 42.059 0.079 0.000 1.291 247 L HN 0.142 nan 8.230 nan 0.000 0.406 248 L N 5.805 127.043 121.223 0.026 0.000 2.282 248 L HA 0.619 4.959 4.340 0.000 0.000 0.288 248 L C -1.012 175.859 176.870 0.001 0.000 1.033 248 L CA -0.165 54.669 54.840 -0.010 0.000 0.807 248 L CB 1.106 43.175 42.059 0.017 0.000 1.209 248 L HN 0.477 nan 8.230 nan 0.000 0.423 249 I N 6.985 127.534 120.570 -0.036 0.000 2.321 249 I HA 0.294 4.465 4.170 0.000 0.000 0.291 249 I C -0.254 175.872 176.117 0.015 0.000 0.998 249 I CA -0.218 61.076 61.300 -0.010 0.000 1.227 249 I CB 1.146 39.132 38.000 -0.024 0.000 1.368 249 I HN 0.560 nan 8.210 nan 0.000 0.466 250 I N 6.000 126.591 120.570 0.036 0.000 2.371 250 I HA 0.546 4.716 4.170 0.000 0.000 0.282 250 I C 0.260 176.388 176.117 0.018 0.000 1.031 250 I CA -0.191 61.138 61.300 0.049 0.000 1.180 250 I CB 1.367 39.400 38.000 0.055 0.000 1.336 250 I HN 0.651 nan 8.210 nan 0.000 0.467 251 A N 4.449 127.284 122.820 0.025 0.000 2.437 251 A HA 0.451 4.771 4.320 0.000 0.000 0.292 251 A C 0.925 178.522 177.584 0.021 0.000 1.173 251 A CA -0.544 51.503 52.037 0.017 0.000 0.785 251 A CB 1.402 20.415 19.000 0.022 0.000 1.351 251 A HN 0.726 nan 8.150 nan 0.000 0.431 252 E N -0.561 119.650 120.200 0.019 0.000 2.070 252 E HA -0.195 4.156 4.350 0.000 0.000 0.197 252 E C -0.277 176.348 176.600 0.041 0.000 1.004 252 E CA 1.885 58.301 56.400 0.027 0.000 0.805 252 E CB 0.109 29.825 29.700 0.027 0.000 0.744 252 E HN 0.605 nan 8.360 nan 0.000 0.451 253 D N -2.054 118.371 120.400 0.042 0.000 2.648 253 D HA 0.244 4.884 4.640 0.000 0.000 0.244 253 D C -1.916 174.417 176.300 0.055 0.000 1.244 253 D CA -0.557 53.475 54.000 0.053 0.000 0.772 253 D CB 2.260 43.089 40.800 0.049 0.000 1.379 253 D HN -0.117 nan 8.370 nan 0.000 0.428 254 V N 2.223 122.179 119.914 0.070 0.000 2.409 254 V HA 0.430 4.551 4.120 0.000 0.000 0.290 254 V C -0.060 176.084 176.094 0.084 0.000 1.017 254 V CA -0.622 61.724 62.300 0.077 0.000 0.841 254 V CB 1.512 33.391 31.823 0.093 0.000 1.003 254 V HN 0.416 nan 8.190 nan 0.000 0.426 255 E N 2.310 122.550 120.200 0.067 0.000 2.232 255 E HA 0.575 4.925 4.350 0.000 0.000 0.264 255 E C 1.280 177.914 176.600 0.057 0.000 0.973 255 E CA 0.073 56.509 56.400 0.059 0.000 0.849 255 E CB 1.939 31.666 29.700 0.045 0.000 1.198 255 E HN 0.726 nan 8.360 nan 0.000 0.407 256 G N 2.030 110.861 108.800 0.050 0.000 3.389 256 G HA2 -0.478 3.482 3.960 0.000 0.000 0.322 256 G HA3 -0.478 3.482 3.960 0.000 0.000 0.322 256 G C 1.232 176.156 174.900 0.040 0.000 1.444 256 G CA 1.523 46.647 45.100 0.041 0.000 1.531 256 G HN 0.671 nan 8.290 nan 0.000 1.128 257 E N 1.069 121.290 120.200 0.034 0.000 2.000 257 E HA -0.083 4.267 4.350 0.000 0.000 0.199 257 E C 3.058 179.680 176.600 0.037 0.000 1.011 257 E CA 1.777 58.195 56.400 0.030 0.000 0.836 257 E CB -0.665 29.049 29.700 0.024 0.000 0.778 257 E HN 0.564 nan 8.360 nan 0.000 0.462 258 A N 1.057 123.903 122.820 0.044 0.000 2.015 258 A HA -0.145 4.176 4.320 0.000 0.000 0.219 258 A C 2.190 179.822 177.584 0.080 0.000 1.163 258 A CA 1.235 53.304 52.037 0.053 0.000 0.646 258 A CB -0.559 18.470 19.000 0.049 0.000 0.806 258 A HN 0.353 nan 8.150 nan 0.000 0.448 259 L N 0.013 121.292 121.223 0.092 0.000 1.970 259 L HA -0.094 4.246 4.340 0.000 0.000 0.212 259 L C 2.647 179.582 176.870 0.107 0.000 1.071 259 L CA 2.430 57.352 54.840 0.135 0.000 0.751 259 L CB -0.960 41.176 42.059 0.129 0.000 0.889 259 L HN 0.315 nan 8.230 nan 0.000 0.432 260 A N -1.691 121.164 122.820 0.059 0.000 1.978 260 A HA -0.203 4.117 4.320 0.000 0.000 0.220 260 A C 2.189 179.779 177.584 0.010 0.000 1.170 260 A CA 2.266 54.315 52.037 0.019 0.000 0.636 260 A CB -1.189 17.816 19.000 0.009 0.000 0.810 260 A HN 0.598 nan 8.150 nan 0.000 0.448 261 T N 0.503 115.077 114.554 0.033 0.000 2.770 261 T HA -0.046 4.305 4.350 0.000 0.000 0.263 261 T C 1.837 176.569 174.700 0.053 0.000 1.039 261 T CA 1.355 63.473 62.100 0.031 0.000 1.142 261 T CB -0.419 68.469 68.868 0.034 0.000 0.868 261 T HN 0.386 nan 8.240 nan 0.000 0.435 262 L N 0.908 122.195 121.223 0.106 0.000 2.012 262 L HA -0.118 4.223 4.340 0.000 0.000 0.210 262 L C 2.744 179.719 176.870 0.175 0.000 1.073 262 L CA 0.996 55.944 54.840 0.180 0.000 0.748 262 L CB -1.055 41.174 42.059 0.283 0.000 0.891 262 L HN 0.111 nan 8.230 nan 0.000 0.431 263 V N -0.254 119.704 119.914 0.073 0.000 2.278 263 V HA -0.290 3.830 4.120 0.000 0.000 0.251 263 V C 2.366 178.384 176.094 -0.125 0.000 1.062 263 V CA 1.956 64.167 62.300 -0.147 0.000 1.038 263 V CB -0.346 31.352 31.823 -0.208 0.000 0.646 263 V HN 0.256 nan 8.190 nan 0.000 0.447 264 V N -0.372 119.491 119.914 -0.084 0.000 2.719 264 V HA -0.136 3.985 4.120 0.000 0.000 0.252 264 V C 1.846 177.917 176.094 -0.039 0.000 1.065 264 V CA 1.807 64.054 62.300 -0.088 0.000 1.086 264 V CB -0.820 30.957 31.823 -0.077 0.000 0.700 264 V HN 0.603 nan 8.190 nan 0.000 0.467 265 N N 0.031 118.734 118.700 0.004 0.000 2.422 265 N HA -0.080 4.661 4.740 0.000 0.000 0.181 265 N C 1.849 177.383 175.510 0.040 0.000 1.080 265 N CA 1.146 54.209 53.050 0.022 0.000 0.893 265 N CB 0.272 38.779 38.487 0.033 0.000 0.973 265 N HN 0.642 nan 8.380 nan 0.000 0.456 266 T N -1.868 112.724 114.554 0.063 0.000 3.051 266 T HA 0.075 4.425 4.350 0.000 0.000 0.255 266 T C 1.771 176.490 174.700 0.033 0.000 1.085 266 T CA 0.024 62.171 62.100 0.079 0.000 1.109 266 T CB 0.071 69.044 68.868 0.175 0.000 0.921 266 T HN -0.069 nan 8.240 nan 0.000 0.488 267 M N 1.332 120.924 119.600 -0.013 0.000 2.117 267 M HA 0.171 4.651 4.480 0.000 0.000 0.262 267 M C 2.206 178.483 176.300 -0.039 0.000 1.065 267 M CA 1.509 56.776 55.300 -0.056 0.000 1.114 267 M CB -0.208 32.319 32.600 -0.121 0.000 1.361 267 M HN 0.077 nan 8.290 nan 0.000 0.408 268 R N -0.663 119.821 120.500 -0.027 0.000 2.313 268 R HA 0.201 4.542 4.340 0.000 0.000 0.199 268 R C 1.009 177.307 176.300 -0.004 0.000 0.958 268 R CA 0.609 56.698 56.100 -0.019 0.000 1.047 268 R CB -0.207 30.083 30.300 -0.017 0.000 0.955 268 R HN 0.640 nan 8.270 nan 0.000 0.481 269 G N 1.022 109.824 108.800 0.005 0.000 2.168 269 G HA2 -0.299 3.662 3.960 0.000 0.000 0.257 269 G HA3 -0.299 3.662 3.960 0.000 0.000 0.257 269 G C 0.754 175.665 174.900 0.018 0.000 0.997 269 G CA 0.364 45.473 45.100 0.014 0.000 0.708 269 G HN 0.344 nan 8.290 nan 0.000 0.520 270 I N -0.874 119.707 120.570 0.018 0.000 2.179 270 I HA -0.015 4.155 4.170 0.000 0.000 0.242 270 I C 0.961 177.096 176.117 0.029 0.000 1.088 270 I CA 1.612 62.924 61.300 0.020 0.000 1.357 270 I CB -0.084 37.926 38.000 0.016 0.000 1.051 270 I HN 0.131 nan 8.210 nan 0.000 0.409 271 V N -0.115 119.822 119.914 0.039 0.000 2.932 271 V HA 0.254 4.374 4.120 0.000 0.000 0.307 271 V C -0.779 175.351 176.094 0.060 0.000 1.147 271 V CA -1.155 61.174 62.300 0.047 0.000 0.951 271 V CB 1.918 33.769 31.823 0.047 0.000 1.031 271 V HN -0.022 nan 8.190 nan 0.000 0.426 272 K N 2.459 122.894 120.400 0.058 0.000 2.250 272 K HA 0.609 4.929 4.320 0.000 0.000 0.285 272 K C -0.725 175.910 176.600 0.059 0.000 1.097 272 K CA 0.101 56.427 56.287 0.066 0.000 0.913 272 K CB 0.896 33.427 32.500 0.051 0.000 1.179 272 K HN 0.525 nan 8.250 nan 0.000 0.462 273 V N 1.540 121.501 119.914 0.077 0.000 2.864 273 V HA 0.869 4.989 4.120 0.000 0.000 0.314 273 V C -0.474 175.519 176.094 -0.169 0.000 1.073 273 V CA -1.076 61.222 62.300 -0.002 0.000 0.956 273 V CB 1.901 33.743 31.823 0.031 0.000 1.023 273 V HN 0.737 nan 8.190 nan 0.000 0.435 274 A N 2.218 124.787 122.820 -0.418 0.000 2.539 274 A HA 1.018 5.338 4.320 0.000 0.000 0.296 274 A C -0.790 176.384 177.584 -0.684 0.000 1.073 274 A CA -0.239 51.215 52.037 -0.972 0.000 0.700 274 A CB 2.007 20.729 19.000 -0.463 0.000 1.296 274 A HN 1.688 nan 8.150 nan 0.000 0.405 275 A N 0.355 122.702 122.820 -0.788 0.000 2.422 275 A HA 0.835 5.156 4.320 0.000 0.000 0.302 275 A C -0.562 176.984 177.584 -0.064 0.000 1.041 275 A CA -0.043 51.835 52.037 -0.265 0.000 0.708 275 A CB 1.362 20.278 19.000 -0.139 0.000 1.257 275 A HN 2.348 nan 8.150 nan 0.000 0.414 276 V N -0.686 119.242 119.914 0.024 0.000 3.007 276 V HA 0.631 4.751 4.120 0.000 0.000 0.311 276 V C -0.500 175.665 176.094 0.118 0.000 1.120 276 V CA -1.269 61.089 62.300 0.097 0.000 0.980 276 V CB 1.662 33.558 31.823 0.122 0.000 1.033 276 V HN 0.849 nan 8.190 nan 0.000 0.429 277 K N 2.347 122.822 120.400 0.124 0.000 2.436 277 K HA 0.542 4.862 4.320 0.000 0.000 0.275 277 K C 0.564 177.231 176.600 0.113 0.000 0.999 277 K CA 0.431 56.781 56.287 0.104 0.000 0.980 277 K CB 1.075 33.632 32.500 0.096 0.000 0.919 277 K HN 1.127 nan 8.250 nan 0.000 0.484 278 A N 4.729 127.568 122.820 0.032 0.000 2.466 278 A HA 0.183 4.503 4.320 0.000 0.000 0.238 278 A C -2.057 175.486 177.584 -0.068 0.000 1.074 278 A CA -0.954 51.037 52.037 -0.077 0.000 0.774 278 A CB -0.411 18.539 19.000 -0.083 0.000 1.015 278 A HN 0.434 nan 8.150 nan 0.000 0.498 279 P HA 0.479 nan 4.420 nan 0.000 0.277 279 P C 0.617 177.895 177.300 -0.038 0.000 1.240 279 P CA 1.287 64.336 63.100 -0.085 0.000 0.798 279 P CB 0.802 32.373 31.700 -0.214 0.000 0.979 280 G N 1.395 110.224 108.800 0.048 0.000 2.750 280 G HA2 -0.031 3.929 3.960 0.000 0.000 0.228 280 G HA3 -0.031 3.929 3.960 0.000 0.000 0.228 280 G C -0.867 174.121 174.900 0.146 0.000 1.367 280 G CA -0.038 45.109 45.100 0.077 0.000 0.871 280 G HN 0.717 nan 8.290 nan 0.000 0.560 281 F N -2.041 117.915 119.950 0.010 0.000 2.650 281 F HA 0.808 5.335 4.527 0.000 0.000 0.320 281 F C 1.178 176.985 175.800 0.012 0.000 1.091 281 F CA 0.238 58.245 58.000 0.011 0.000 0.962 281 F CB 1.007 40.017 39.000 0.018 0.000 1.363 281 F HN 2.397 nan 8.300 nan 0.000 0.482 282 G N 1.513 110.354 108.800 0.068 0.000 2.660 282 G HA2 -0.364 3.596 3.960 0.000 0.000 0.321 282 G HA3 -0.364 3.596 3.960 0.000 0.000 0.321 282 G C 0.443 175.278 174.900 -0.109 0.000 1.246 282 G CA 0.995 46.078 45.100 -0.027 0.000 1.000 282 G HN 0.826 nan 8.290 nan 0.000 0.550 283 D N 1.026 121.334 120.400 -0.153 0.000 2.110 283 D HA -0.030 4.611 4.640 0.000 0.000 0.202 283 D C 2.518 178.735 176.300 -0.138 0.000 0.975 283 D CA 1.533 55.464 54.000 -0.114 0.000 0.839 283 D CB -0.430 40.320 40.800 -0.084 0.000 0.996 283 D HN 0.722 nan 8.370 nan 0.000 0.464 284 R N 1.173 121.553 120.500 -0.200 0.000 2.211 284 R HA -0.111 4.229 4.340 0.000 0.000 0.240 284 R C 2.080 178.289 176.300 -0.153 0.000 1.144 284 R CA 1.177 57.170 56.100 -0.178 0.000 0.992 284 R CB -0.295 29.889 30.300 -0.193 0.000 0.869 284 R HN 0.090 nan 8.270 nan 0.000 0.462 285 R N 1.306 121.717 120.500 -0.149 0.000 2.055 285 R HA -0.046 4.294 4.340 0.000 0.000 0.226 285 R C 1.672 177.916 176.300 -0.093 0.000 1.135 285 R CA 1.565 57.602 56.100 -0.105 0.000 0.959 285 R CB -0.064 30.200 30.300 -0.060 0.000 0.854 285 R HN 0.256 nan 8.270 nan 0.000 0.431 286 K N 0.189 120.543 120.400 -0.076 0.000 2.032 286 K HA -0.131 4.189 4.320 0.000 0.000 0.209 286 K C 2.123 178.682 176.600 -0.068 0.000 1.048 286 K CA 1.729 57.979 56.287 -0.061 0.000 0.927 286 K CB -0.208 32.264 32.500 -0.047 0.000 0.712 286 K HN 0.235 nan 8.250 nan 0.000 0.441 287 A N 1.148 123.923 122.820 -0.075 0.000 1.877 287 A HA -0.176 4.144 4.320 0.000 0.000 0.216 287 A C 2.140 179.674 177.584 -0.083 0.000 1.186 287 A CA 1.644 53.638 52.037 -0.072 0.000 0.620 287 A CB -0.483 18.473 19.000 -0.073 0.000 0.822 287 A HN 0.201 nan 8.150 nan 0.000 0.443 288 M N -0.823 118.713 119.600 -0.105 0.000 2.213 288 M HA -0.062 4.418 4.480 0.000 0.000 0.263 288 M C 2.128 178.341 176.300 -0.145 0.000 1.062 288 M CA 1.098 56.320 55.300 -0.129 0.000 1.105 288 M CB -0.423 32.078 32.600 -0.164 0.000 1.385 288 M HN 0.385 nan 8.290 nan 0.000 0.417 289 L N -0.037 121.105 121.223 -0.134 0.000 2.079 289 L HA -0.255 4.085 4.340 0.000 0.000 0.210 289 L C 2.679 179.500 176.870 -0.081 0.000 1.081 289 L CA 1.268 56.035 54.840 -0.121 0.000 0.752 289 L CB -0.377 41.627 42.059 -0.091 0.000 0.896 289 L HN 0.312 nan 8.230 nan 0.000 0.433 290 Q N 0.098 119.858 119.800 -0.066 0.000 2.119 290 Q HA -0.204 4.137 4.340 0.000 0.000 0.201 290 Q C 1.638 177.612 176.000 -0.044 0.000 0.972 290 Q CA 1.714 57.489 55.803 -0.046 0.000 0.847 290 Q CB -0.137 28.576 28.738 -0.041 0.000 0.903 290 Q HN 0.407 nan 8.270 nan 0.000 0.433 291 D N -0.164 120.202 120.400 -0.057 0.000 2.087 291 D HA -0.164 4.476 4.640 0.000 0.000 0.192 291 D C 1.894 178.173 176.300 -0.036 0.000 0.993 291 D CA 1.586 55.559 54.000 -0.046 0.000 0.828 291 D CB -0.319 40.447 40.800 -0.057 0.000 0.968 291 D HN 0.361 nan 8.370 nan 0.000 0.448 292 I N 1.251 121.788 120.570 -0.055 0.000 2.208 292 I HA -0.292 3.878 4.170 0.000 0.000 0.245 292 I C 2.498 178.610 176.117 -0.009 0.000 1.097 292 I CA 1.106 62.388 61.300 -0.029 0.000 1.363 292 I CB -0.331 37.630 38.000 -0.066 0.000 1.051 292 I HN -0.072 nan 8.210 nan 0.000 0.413 293 A N 0.734 123.542 122.820 -0.020 0.000 1.859 293 A HA -0.265 4.056 4.320 0.000 0.000 0.217 293 A C 2.423 180.008 177.584 0.001 0.000 1.198 293 A CA 2.827 54.860 52.037 -0.006 0.000 0.629 293 A CB -1.328 17.664 19.000 -0.013 0.000 0.830 293 A HN 0.408 nan 8.150 nan 0.000 0.446 294 T N 0.294 114.845 114.554 -0.005 0.000 2.720 294 T HA -0.127 4.223 4.350 0.000 0.000 0.268 294 T C 1.814 176.516 174.700 0.004 0.000 1.037 294 T CA 1.276 63.375 62.100 -0.002 0.000 1.144 294 T CB -0.367 68.496 68.868 -0.007 0.000 0.864 294 T HN 0.332 nan 8.240 nan 0.000 0.444 295 L N 1.316 122.543 121.223 0.005 0.000 2.079 295 L HA -0.116 4.225 4.340 0.000 0.000 0.210 295 L C 2.409 179.289 176.870 0.016 0.000 1.081 295 L CA 1.983 56.830 54.840 0.012 0.000 0.752 295 L CB -0.606 41.465 42.059 0.020 0.000 0.896 295 L HN 0.484 nan 8.230 nan 0.000 0.433 296 T N -4.775 109.791 114.554 0.021 0.000 3.092 296 T HA 0.258 4.609 4.350 0.000 0.000 0.258 296 T C 1.122 175.840 174.700 0.031 0.000 1.031 296 T CA 0.314 62.430 62.100 0.026 0.000 0.925 296 T CB 0.446 69.336 68.868 0.037 0.000 1.036 296 T HN 0.452 nan 8.240 nan 0.000 0.544 297 G N 0.601 109.416 108.800 0.025 0.000 2.273 297 G HA2 0.030 3.991 3.960 0.000 0.000 0.280 297 G HA3 0.030 3.991 3.960 0.000 0.000 0.280 297 G C 0.332 175.254 174.900 0.037 0.000 1.047 297 G CA -0.160 44.956 45.100 0.028 0.000 0.869 297 G HN 1.047 nan 8.290 nan 0.000 0.502 298 G N -1.535 107.284 108.800 0.032 0.000 2.552 298 G HA2 0.791 4.751 3.960 0.000 0.000 0.324 298 G HA3 0.791 4.751 3.960 0.000 0.000 0.324 298 G C -0.305 174.605 174.900 0.016 0.000 1.217 298 G CA 0.138 45.258 45.100 0.033 0.000 0.989 298 G HN 0.621 nan 8.290 nan 0.000 0.490 299 T N 0.143 114.704 114.554 0.011 0.000 2.823 299 T HA 0.440 4.791 4.350 0.000 0.000 0.279 299 T C 0.043 174.741 174.700 -0.004 0.000 0.998 299 T CA -0.344 61.757 62.100 0.001 0.000 0.994 299 T CB 1.771 70.638 68.868 -0.001 0.000 0.960 299 T HN 0.343 nan 8.240 nan 0.000 0.448 300 V N 4.273 124.182 119.914 -0.009 0.000 2.508 300 V HA 0.236 4.356 4.120 0.000 0.000 0.281 300 V C 0.410 176.498 176.094 -0.011 0.000 1.041 300 V CA -0.396 61.897 62.300 -0.013 0.000 1.016 300 V CB 0.150 31.960 31.823 -0.021 0.000 0.984 300 V HN 0.774 nan 8.190 nan 0.000 0.478 301 I N 5.406 125.970 120.570 -0.010 0.000 2.276 301 I HA 0.243 4.413 4.170 0.000 0.000 0.290 301 I C 0.364 176.476 176.117 -0.008 0.000 1.109 301 I CA 0.227 61.522 61.300 -0.009 0.000 1.229 301 I CB 0.406 38.400 38.000 -0.008 0.000 1.452 301 I HN 0.700 nan 8.210 nan 0.000 0.497 302 S N 2.856 118.551 115.700 -0.008 0.000 2.454 302 S HA 0.368 4.838 4.470 0.000 0.000 0.306 302 S C 0.454 175.052 174.600 -0.005 0.000 1.100 302 S CA -0.911 57.285 58.200 -0.007 0.000 1.087 302 S CB 1.734 64.928 63.200 -0.010 0.000 1.019 302 S HN 0.591 nan 8.310 nan 0.000 0.480 303 E N 1.673 121.872 120.200 -0.002 0.000 2.418 303 E HA -0.110 4.240 4.350 0.000 0.000 0.197 303 E C 0.964 177.564 176.600 -0.001 0.000 1.026 303 E CA 0.710 57.109 56.400 -0.001 0.000 0.862 303 E CB -0.207 29.494 29.700 0.001 0.000 0.799 303 E HN 0.853 nan 8.360 nan 0.000 0.518 304 E N 1.002 121.201 120.200 -0.002 0.000 2.204 304 E HA -0.109 4.241 4.350 0.000 0.000 0.194 304 E C 1.530 178.128 176.600 -0.003 0.000 0.989 304 E CA 0.748 57.147 56.400 -0.002 0.000 0.824 304 E CB -0.117 29.582 29.700 -0.002 0.000 0.756 304 E HN 0.358 nan 8.360 nan 0.000 0.477 305 I N 0.386 120.953 120.570 -0.004 0.000 3.793 305 I HA 0.133 4.303 4.170 0.000 0.000 0.315 305 I C 1.090 177.205 176.117 -0.004 0.000 1.275 305 I CA 0.226 61.523 61.300 -0.005 0.000 1.214 305 I CB -0.050 37.947 38.000 -0.006 0.000 1.018 305 I HN 0.230 nan 8.210 nan 0.000 0.439 306 G N 1.708 110.507 108.800 -0.003 0.000 2.147 306 G HA2 -0.281 3.680 3.960 0.000 0.000 0.244 306 G HA3 -0.281 3.680 3.960 0.000 0.000 0.244 306 G C 0.197 175.095 174.900 -0.004 0.000 1.005 306 G CA -0.151 44.947 45.100 -0.003 0.000 0.713 306 G HN 0.341 nan 8.290 nan 0.000 0.515 307 M N 0.342 119.939 119.600 -0.004 0.000 2.249 307 M HA 0.555 5.035 4.480 0.000 0.000 0.351 307 M C 0.312 176.609 176.300 -0.005 0.000 1.180 307 M CA -0.036 55.261 55.300 -0.006 0.000 1.127 307 M CB 0.937 33.532 32.600 -0.007 0.000 1.546 307 M HN 0.257 nan 8.290 nan 0.000 0.461 308 E N 1.759 121.956 120.200 -0.006 0.000 2.221 308 E HA 0.335 4.685 4.350 0.000 0.000 0.268 308 E C 0.217 176.813 176.600 -0.008 0.000 0.933 308 E CA -0.705 55.692 56.400 -0.005 0.000 0.809 308 E CB 2.033 31.731 29.700 -0.005 0.000 1.190 308 E HN 0.659 nan 8.360 nan 0.000 0.406 309 L N 1.285 122.504 121.223 -0.007 0.000 2.275 309 L HA -0.170 4.170 4.340 0.000 0.000 0.215 309 L C 1.557 178.419 176.870 -0.013 0.000 1.119 309 L CA 1.165 55.999 54.840 -0.009 0.000 0.790 309 L CB -0.168 41.888 42.059 -0.005 0.000 0.919 309 L HN 0.600 nan 8.230 nan 0.000 0.443 310 E N 0.189 120.383 120.200 -0.011 0.000 2.072 310 E HA -0.127 4.223 4.350 0.000 0.000 0.190 310 E C 1.086 177.676 176.600 -0.016 0.000 0.982 310 E CA 0.888 57.281 56.400 -0.012 0.000 0.803 310 E CB 0.060 29.755 29.700 -0.009 0.000 0.755 310 E HN 0.225 nan 8.360 nan 0.000 0.453 311 K N 0.609 121.000 120.400 -0.015 0.000 3.100 311 K HA 0.354 4.674 4.320 0.000 0.000 0.256 311 K C -0.751 175.837 176.600 -0.021 0.000 1.146 311 K CA -0.170 56.107 56.287 -0.017 0.000 1.233 311 K CB 0.555 33.047 32.500 -0.013 0.000 1.226 311 K HN -0.018 nan 8.250 nan 0.000 0.442 312 A N 1.185 123.989 122.820 -0.028 0.000 2.335 312 A HA 0.380 4.700 4.320 0.000 0.000 0.304 312 A C 0.185 177.737 177.584 -0.053 0.000 1.118 312 A CA -0.662 51.353 52.037 -0.036 0.000 0.757 312 A CB 0.785 19.766 19.000 -0.033 0.000 1.188 312 A HN 0.272 nan 8.150 nan 0.000 0.460 313 T N -0.102 114.417 114.554 -0.059 0.000 2.893 313 T HA 0.531 4.882 4.350 0.000 0.000 0.279 313 T C 1.216 175.840 174.700 -0.127 0.000 0.991 313 T CA -0.635 61.416 62.100 -0.081 0.000 0.950 313 T CB 0.266 69.098 68.868 -0.060 0.000 1.223 313 T HN 0.322 nan 8.240 nan 0.000 0.585 314 L N -0.143 120.975 121.223 -0.176 0.000 2.131 314 L HA -0.027 4.314 4.340 0.000 0.000 0.210 314 L C 2.958 179.729 176.870 -0.164 0.000 1.092 314 L CA 1.517 56.174 54.840 -0.305 0.000 0.759 314 L CB -0.637 41.207 42.059 -0.357 0.000 0.903 314 L HN 0.843 nan 8.230 nan 0.000 0.435 315 E N 0.247 120.401 120.200 -0.076 0.000 2.160 315 E HA -0.244 4.107 4.350 0.000 0.000 0.195 315 E C 1.515 178.111 176.600 -0.006 0.000 0.991 315 E CA 1.267 57.657 56.400 -0.017 0.000 0.810 315 E CB 0.151 29.843 29.700 -0.013 0.000 0.742 315 E HN 0.435 nan 8.360 nan 0.000 0.466 316 D N -0.260 120.123 120.400 -0.028 0.000 2.269 316 D HA -0.064 4.577 4.640 0.000 0.000 0.208 316 D C -0.059 176.245 176.300 0.007 0.000 0.963 316 D CA 0.378 54.370 54.000 -0.013 0.000 0.864 316 D CB 0.153 40.938 40.800 -0.026 0.000 0.936 316 D HN 0.119 nan 8.370 nan 0.000 0.505 317 L N 0.835 122.063 121.223 0.008 0.000 2.349 317 L HA 0.329 4.669 4.340 0.000 0.000 0.275 317 L C 1.321 178.283 176.870 0.154 0.000 1.115 317 L CA -0.307 54.576 54.840 0.071 0.000 0.820 317 L CB 0.995 43.078 42.059 0.040 0.000 1.135 317 L HN -0.183 nan 8.230 nan 0.000 0.445 318 G N 1.855 110.735 108.800 0.134 0.000 2.562 318 G HA2 0.473 4.434 3.960 0.000 0.000 0.275 318 G HA3 0.473 4.434 3.960 0.000 0.000 0.275 318 G C -0.808 174.178 174.900 0.143 0.000 1.196 318 G CA -0.218 44.952 45.100 0.116 0.000 0.908 318 G HN 0.569 nan 8.290 nan 0.000 0.524 319 Q N -1.529 118.305 119.800 0.058 0.000 2.456 319 Q HA 0.644 4.985 4.340 0.000 0.000 0.283 319 Q C -1.044 174.931 176.000 -0.041 0.000 1.084 319 Q CA -0.809 54.971 55.803 -0.038 0.000 0.801 319 Q CB 2.376 31.033 28.738 -0.135 0.000 1.434 319 Q HN 0.960 nan 8.270 nan 0.000 0.419 320 A N 1.351 124.129 122.820 -0.070 0.000 2.604 320 A HA 0.380 4.700 4.320 0.000 0.000 0.295 320 A C -0.615 176.931 177.584 -0.063 0.000 1.067 320 A CA -0.625 51.384 52.037 -0.045 0.000 0.683 320 A CB 1.472 20.462 19.000 -0.016 0.000 1.281 320 A HN 0.793 nan 8.150 nan 0.000 0.407 321 K N -0.320 120.052 120.400 -0.047 0.000 2.211 321 K HA 0.002 4.322 4.320 0.000 0.000 0.203 321 K C 0.558 177.134 176.600 -0.040 0.000 1.050 321 K CA 1.146 57.405 56.287 -0.047 0.000 0.945 321 K CB 0.133 32.612 32.500 -0.034 0.000 0.732 321 K HN 0.522 nan 8.250 nan 0.000 0.451 322 R N -0.102 120.380 120.500 -0.030 0.000 2.604 322 R HA 0.168 4.508 4.340 0.000 0.000 0.261 322 R C -1.884 174.405 176.300 -0.018 0.000 1.080 322 R CA -0.479 55.607 56.100 -0.023 0.000 0.917 322 R CB 2.003 32.292 30.300 -0.018 0.000 1.252 322 R HN -0.026 nan 8.270 nan 0.000 0.456 323 V N 0.335 120.239 119.914 -0.017 0.000 2.876 323 V HA 0.875 4.995 4.120 0.000 0.000 0.312 323 V C -1.412 174.671 176.094 -0.019 0.000 1.085 323 V CA -0.600 61.688 62.300 -0.019 0.000 0.945 323 V CB 2.313 34.127 31.823 -0.014 0.000 1.017 323 V HN 0.418 nan 8.190 nan 0.000 0.428 324 V N 5.831 125.725 119.914 -0.033 0.000 2.525 324 V HA 0.578 4.698 4.120 0.000 0.000 0.299 324 V C -0.321 175.749 176.094 -0.039 0.000 1.034 324 V CA -0.358 61.930 62.300 -0.020 0.000 0.863 324 V CB 1.553 33.367 31.823 -0.015 0.000 0.999 324 V HN 0.956 nan 8.190 nan 0.000 0.423 325 I N 1.417 121.990 120.570 0.005 0.000 2.569 325 I HA 0.699 4.869 4.170 0.000 0.000 0.296 325 I C -0.556 175.608 176.117 0.079 0.000 1.028 325 I CA -0.571 60.733 61.300 0.007 0.000 1.082 325 I CB 2.116 40.134 38.000 0.030 0.000 1.264 325 I HN 0.391 nan 8.210 nan 0.000 0.429 326 N N 3.416 122.088 118.700 -0.045 0.000 2.604 326 N HA 0.306 5.046 4.740 0.000 0.000 0.297 326 N C 0.790 176.020 175.510 -0.467 0.000 1.266 326 N CA -0.681 52.313 53.050 -0.093 0.000 0.961 326 N CB 1.580 39.987 38.487 -0.133 0.000 1.166 326 N HN 0.623 nan 8.380 nan 0.000 0.601 327 K N -0.159 119.972 120.400 -0.447 0.000 2.063 327 K HA -0.170 4.150 4.320 0.000 0.000 0.208 327 K C -0.576 175.721 176.600 -0.505 0.000 1.048 327 K CA 1.965 57.842 56.287 -0.683 0.000 0.928 327 K CB -0.011 32.346 32.500 -0.239 0.000 0.713 327 K HN 0.612 nan 8.250 nan 0.000 0.442 328 D N -1.254 118.969 120.400 -0.293 0.000 2.760 328 D HA 0.131 4.771 4.640 0.000 0.000 0.314 328 D C -0.782 175.421 176.300 -0.161 0.000 1.464 328 D CA -0.412 53.471 54.000 -0.195 0.000 0.797 328 D CB 1.026 41.752 40.800 -0.123 0.000 1.149 328 D HN -0.178 nan 8.370 nan 0.000 0.455 329 T N -0.471 113.963 114.554 -0.200 0.000 2.982 329 T HA 0.611 4.961 4.350 0.000 0.000 0.321 329 T C -1.336 173.186 174.700 -0.297 0.000 1.229 329 T CA -0.359 61.611 62.100 -0.218 0.000 1.044 329 T CB 2.070 70.838 68.868 -0.167 0.000 1.184 329 T HN -0.084 nan 8.240 nan 0.000 0.477 330 T N 2.112 116.363 114.554 -0.506 0.000 2.881 330 T HA 0.667 5.017 4.350 0.000 0.000 0.290 330 T C -0.738 173.627 174.700 -0.558 0.000 1.000 330 T CA -0.598 61.147 62.100 -0.592 0.000 0.978 330 T CB 1.567 69.850 68.868 -0.974 0.000 0.997 330 T HN 0.677 nan 8.240 nan 0.000 0.443 331 T N 2.906 117.290 114.554 -0.283 0.000 2.881 331 T HA 0.680 5.030 4.350 0.000 0.000 0.291 331 T C -0.771 173.880 174.700 -0.082 0.000 0.990 331 T CA -0.671 61.328 62.100 -0.167 0.000 0.976 331 T CB 0.203 69.006 68.868 -0.109 0.000 0.970 331 T HN 0.472 nan 8.240 nan 0.000 0.438 332 I N 5.519 126.073 120.570 -0.026 0.000 2.321 332 I HA 0.454 4.624 4.170 0.000 0.000 0.291 332 I C -0.382 175.741 176.117 0.010 0.000 0.998 332 I CA -0.873 60.435 61.300 0.013 0.000 1.227 332 I CB 1.294 39.336 38.000 0.070 0.000 1.368 332 I HN 0.600 nan 8.210 nan 0.000 0.466 333 I N 5.887 126.457 120.570 -0.001 0.000 2.362 333 I HA 0.293 4.463 4.170 0.000 0.000 0.289 333 I C -0.466 175.647 176.117 -0.006 0.000 0.994 333 I CA -0.456 60.842 61.300 -0.003 0.000 1.158 333 I CB 1.267 39.262 38.000 -0.008 0.000 1.315 333 I HN 0.520 nan 8.210 nan 0.000 0.451 334 D N 4.913 125.311 120.400 -0.003 0.000 3.437 334 D HA -0.116 4.525 4.640 0.000 0.000 0.243 334 D C 0.109 176.404 176.300 -0.008 0.000 1.104 334 D CA 0.838 54.834 54.000 -0.007 0.000 1.009 334 D CB -0.230 40.562 40.800 -0.013 0.000 0.937 334 D HN 0.836 nan 8.370 nan 0.000 0.417 335 G N 0.596 109.396 108.800 -0.001 0.000 2.390 335 G HA2 0.394 4.354 3.960 0.000 0.000 0.270 335 G HA3 0.394 4.354 3.960 0.000 0.000 0.270 335 G C 1.500 176.399 174.900 -0.002 0.000 1.211 335 G CA -0.339 44.761 45.100 0.001 0.000 0.842 335 G HN 0.283 nan 8.290 nan 0.000 0.519 336 V N 2.961 122.872 119.914 -0.006 0.000 2.568 336 V HA -0.075 4.045 4.120 0.000 0.000 0.253 336 V C 2.310 178.406 176.094 0.004 0.000 1.072 336 V CA 1.169 63.467 62.300 -0.005 0.000 1.084 336 V CB -1.411 30.408 31.823 -0.007 0.000 0.676 336 V HN 0.869 nan 8.190 nan 0.000 0.469 337 G N 0.928 109.733 108.800 0.008 0.000 2.238 337 G HA2 -0.082 3.878 3.960 0.000 0.000 0.234 337 G HA3 -0.082 3.878 3.960 0.000 0.000 0.234 337 G C -0.038 174.865 174.900 0.005 0.000 1.181 337 G CA -0.066 45.039 45.100 0.009 0.000 0.871 337 G HN 0.562 nan 8.290 nan 0.000 0.490 338 E N 1.517 121.720 120.200 0.005 0.000 2.373 338 E HA 0.034 4.385 4.350 0.000 0.000 0.267 338 E C 1.041 177.642 176.600 0.002 0.000 1.032 338 E CA -0.361 56.041 56.400 0.003 0.000 0.889 338 E CB 1.048 30.750 29.700 0.004 0.000 0.984 338 E HN 0.624 nan 8.360 nan 0.000 0.425 339 E N 1.820 122.020 120.200 0.001 0.000 2.118 339 E HA -0.251 4.099 4.350 0.000 0.000 0.195 339 E C 1.819 178.418 176.600 -0.001 0.000 0.992 339 E CA 1.242 57.642 56.400 -0.000 0.000 0.804 339 E CB -0.105 29.594 29.700 -0.001 0.000 0.741 339 E HN 0.586 nan 8.360 nan 0.000 0.458 340 A N 1.781 124.601 122.820 -0.001 0.000 1.877 340 A HA -0.067 4.253 4.320 0.000 0.000 0.216 340 A C 2.473 180.056 177.584 -0.002 0.000 1.186 340 A CA 1.873 53.909 52.037 -0.001 0.000 0.620 340 A CB -0.577 18.423 19.000 -0.001 0.000 0.822 340 A HN 0.284 nan 8.150 nan 0.000 0.443 341 A N -0.293 122.527 122.820 -0.001 0.000 1.902 341 A HA -0.058 4.263 4.320 0.000 0.000 0.217 341 A C 2.124 179.707 177.584 -0.003 0.000 1.181 341 A CA 1.537 53.573 52.037 -0.002 0.000 0.623 341 A CB -0.587 18.413 19.000 0.000 0.000 0.818 341 A HN 0.474 nan 8.150 nan 0.000 0.443 342 I N -0.878 119.691 120.570 -0.002 0.000 2.179 342 I HA -0.249 3.921 4.170 0.000 0.000 0.242 342 I C 2.725 178.839 176.117 -0.005 0.000 1.088 342 I CA 1.220 62.518 61.300 -0.003 0.000 1.357 342 I CB -0.202 37.798 38.000 -0.001 0.000 1.051 342 I HN 0.238 nan 8.210 nan 0.000 0.409 343 Q N 0.614 120.412 119.800 -0.004 0.000 2.135 343 Q HA -0.145 4.195 4.340 0.000 0.000 0.204 343 Q C 2.267 178.263 176.000 -0.006 0.000 0.981 343 Q CA 1.847 57.647 55.803 -0.005 0.000 0.856 343 Q CB -0.925 27.811 28.738 -0.004 0.000 0.902 343 Q HN 0.579 nan 8.270 nan 0.000 0.425 344 G N -0.110 108.686 108.800 -0.006 0.000 2.402 344 G HA2 -0.291 3.669 3.960 0.000 0.000 0.216 344 G HA3 -0.291 3.669 3.960 0.000 0.000 0.216 344 G C 1.630 176.524 174.900 -0.009 0.000 1.162 344 G CA 0.852 45.947 45.100 -0.007 0.000 0.777 344 G HN 0.330 nan 8.290 nan 0.000 0.539 345 R N -0.131 120.363 120.500 -0.010 0.000 2.115 345 R HA 0.035 4.375 4.340 0.000 0.000 0.230 345 R C 2.493 178.785 176.300 -0.015 0.000 1.111 345 R CA 1.139 57.231 56.100 -0.013 0.000 0.976 345 R CB -0.446 29.845 30.300 -0.014 0.000 0.870 345 R HN 0.225 nan 8.270 nan 0.000 0.445 346 V N 0.460 120.367 119.914 -0.012 0.000 2.323 346 V HA -0.140 3.980 4.120 0.000 0.000 0.244 346 V C 2.301 178.387 176.094 -0.013 0.000 1.041 346 V CA 1.840 64.132 62.300 -0.013 0.000 1.025 346 V CB -0.665 31.151 31.823 -0.010 0.000 0.656 346 V HN 0.548 nan 8.190 nan 0.000 0.451 347 A N -1.224 121.589 122.820 -0.011 0.000 1.978 347 A HA -0.299 4.021 4.320 0.000 0.000 0.220 347 A C 2.194 179.770 177.584 -0.012 0.000 1.170 347 A CA 2.030 54.060 52.037 -0.011 0.000 0.636 347 A CB -0.490 18.505 19.000 -0.009 0.000 0.810 347 A HN 0.605 nan 8.150 nan 0.000 0.448 348 Q N -0.582 119.210 119.800 -0.013 0.000 2.020 348 Q HA -0.138 4.202 4.340 0.000 0.000 0.202 348 Q C 2.062 178.051 176.000 -0.018 0.000 0.982 348 Q CA 1.734 57.528 55.803 -0.015 0.000 0.838 348 Q CB -0.232 28.497 28.738 -0.016 0.000 0.899 348 Q HN 0.760 nan 8.270 nan 0.000 0.423 349 I N -0.163 120.395 120.570 -0.021 0.000 2.252 349 I HA -0.260 3.910 4.170 0.000 0.000 0.245 349 I C 2.425 178.527 176.117 -0.024 0.000 1.102 349 I CA 0.908 62.192 61.300 -0.026 0.000 1.385 349 I CB -0.250 37.732 38.000 -0.030 0.000 1.064 349 I HN 0.138 nan 8.210 nan 0.000 0.414 350 R N 0.339 120.827 120.500 -0.020 0.000 2.241 350 R HA -0.156 4.184 4.340 0.000 0.000 0.224 350 R C 2.251 178.542 176.300 -0.016 0.000 1.101 350 R CA 1.012 57.101 56.100 -0.018 0.000 0.995 350 R CB 0.056 30.348 30.300 -0.015 0.000 0.870 350 R HN 0.430 nan 8.270 nan 0.000 0.463 351 Q N -0.418 119.373 119.800 -0.016 0.000 2.204 351 Q HA -0.081 4.260 4.340 0.000 0.000 0.198 351 Q C 1.869 177.861 176.000 -0.014 0.000 0.946 351 Q CA 0.822 56.617 55.803 -0.013 0.000 0.859 351 Q CB 0.385 29.116 28.738 -0.012 0.000 0.946 351 Q HN 0.533 nan 8.270 nan 0.000 0.474 352 Q N 0.315 120.104 119.800 -0.018 0.000 2.167 352 Q HA -0.096 4.244 4.340 0.000 0.000 0.202 352 Q C 2.063 178.052 176.000 -0.019 0.000 0.970 352 Q CA 0.861 56.652 55.803 -0.019 0.000 0.855 352 Q CB -0.229 28.494 28.738 -0.024 0.000 0.911 352 Q HN 0.383 nan 8.270 nan 0.000 0.438 353 I N 1.425 121.982 120.570 -0.022 0.000 2.335 353 I HA -0.248 3.922 4.170 0.000 0.000 0.251 353 I C 2.005 178.113 176.117 -0.015 0.000 1.129 353 I CA 0.989 62.276 61.300 -0.022 0.000 1.402 353 I CB -0.220 37.766 38.000 -0.023 0.000 1.069 353 I HN 0.125 nan 8.210 nan 0.000 0.424 354 E N 0.959 121.151 120.200 -0.012 0.000 2.204 354 E HA -0.181 4.170 4.350 0.000 0.000 0.194 354 E C 1.468 178.064 176.600 -0.007 0.000 0.989 354 E CA 1.139 57.534 56.400 -0.009 0.000 0.824 354 E CB -0.125 29.571 29.700 -0.008 0.000 0.756 354 E HN 0.638 nan 8.360 nan 0.000 0.477 355 E N -0.342 119.853 120.200 -0.007 0.000 2.562 355 E HA 0.324 4.675 4.350 0.000 0.000 0.214 355 E C 0.066 176.664 176.600 -0.003 0.000 0.979 355 E CA 0.065 56.462 56.400 -0.005 0.000 1.002 355 E CB 0.829 30.526 29.700 -0.005 0.000 1.048 355 E HN 0.040 nan 8.360 nan 0.000 0.488 356 A N 1.692 124.509 122.820 -0.005 0.000 2.566 356 A HA 0.081 4.401 4.320 0.000 0.000 0.245 356 A C 1.103 178.691 177.584 0.007 0.000 1.056 356 A CA 0.531 52.568 52.037 -0.000 0.000 0.757 356 A CB -0.150 18.846 19.000 -0.007 0.000 0.979 356 A HN 0.254 nan 8.150 nan 0.000 0.508 357 T N -0.458 114.104 114.554 0.013 0.000 3.176 357 T HA 0.425 4.775 4.350 0.000 0.000 0.263 357 T C 0.319 175.033 174.700 0.024 0.000 1.021 357 T CA 0.327 62.437 62.100 0.015 0.000 0.905 357 T CB -0.386 68.490 68.868 0.013 0.000 1.057 357 T HN 1.099 nan 8.240 nan 0.000 0.558 358 S N -0.363 115.358 115.700 0.034 0.000 2.536 358 S HA 0.335 4.806 4.470 0.000 0.000 0.271 358 S C 0.083 174.718 174.600 0.059 0.000 1.134 358 S CA -0.603 57.629 58.200 0.053 0.000 0.897 358 S CB 1.740 64.987 63.200 0.079 0.000 1.094 358 S HN 0.004 nan 8.310 nan 0.000 0.473 359 D N 1.881 122.320 120.400 0.065 0.000 2.127 359 D HA -0.177 4.463 4.640 0.000 0.000 0.190 359 D C 1.368 177.716 176.300 0.080 0.000 1.000 359 D CA 2.097 56.135 54.000 0.063 0.000 0.839 359 D CB -0.323 40.519 40.800 0.071 0.000 0.955 359 D HN 0.765 nan 8.370 nan 0.000 0.446 360 Y N 2.028 122.328 120.300 -0.000 0.000 2.165 360 Y HA -0.208 4.343 4.550 0.000 0.000 0.286 360 Y C 1.955 177.850 175.900 -0.008 0.000 1.155 360 Y CA 1.801 59.901 58.100 -0.001 0.000 1.164 360 Y CB -0.136 38.326 38.460 0.004 0.000 0.978 360 Y HN -0.070 nan 8.280 nan 0.000 0.513 361 D N -0.226 120.198 120.400 0.039 0.000 2.117 361 D HA -0.186 4.454 4.640 0.000 0.000 0.197 361 D C 2.237 178.470 176.300 -0.111 0.000 0.987 361 D CA 1.254 55.223 54.000 -0.051 0.000 0.829 361 D CB -0.286 40.527 40.800 0.022 0.000 0.961 361 D HN 0.396 nan 8.370 nan 0.000 0.460 362 R N 0.784 121.243 120.500 -0.068 0.000 2.082 362 R HA -0.128 4.212 4.340 0.000 0.000 0.234 362 R C 2.319 178.560 176.300 -0.099 0.000 1.136 362 R CA 1.352 57.414 56.100 -0.063 0.000 0.935 362 R CB -0.006 30.275 30.300 -0.031 0.000 0.842 362 R HN 0.265 nan 8.270 nan 0.000 0.430 363 E N 0.397 120.524 120.200 -0.122 0.000 2.097 363 E HA -0.237 4.114 4.350 0.000 0.000 0.196 363 E C 1.922 178.412 176.600 -0.184 0.000 1.000 363 E CA 0.965 57.283 56.400 -0.136 0.000 0.804 363 E CB -0.121 29.504 29.700 -0.125 0.000 0.740 363 E HN 0.105 nan 8.360 nan 0.000 0.454 364 K N 0.885 121.106 120.400 -0.298 0.000 2.148 364 K HA -0.032 4.288 4.320 0.000 0.000 0.204 364 K C 2.234 178.733 176.600 -0.169 0.000 1.050 364 K CA 0.714 56.827 56.287 -0.290 0.000 0.942 364 K CB -0.385 31.857 32.500 -0.431 0.000 0.724 364 K HN 0.182 nan 8.250 nan 0.000 0.446 365 L N 0.207 121.347 121.223 -0.138 0.000 2.068 365 L HA -0.120 4.220 4.340 0.000 0.000 0.204 365 L C 2.434 179.262 176.870 -0.071 0.000 1.076 365 L CA 1.023 55.808 54.840 -0.091 0.000 0.753 365 L CB -0.417 41.598 42.059 -0.073 0.000 0.910 365 L HN 0.131 nan 8.230 nan 0.000 0.439 366 Q N -0.017 119.743 119.800 -0.068 0.000 2.197 366 Q HA -0.272 4.069 4.340 0.000 0.000 0.207 366 Q C 2.076 178.048 176.000 -0.047 0.000 0.984 366 Q CA 1.715 57.488 55.803 -0.050 0.000 0.869 366 Q CB -0.043 28.668 28.738 -0.045 0.000 0.906 366 Q HN 0.491 nan 8.270 nan 0.000 0.426 367 E N -0.353 119.811 120.200 -0.060 0.000 2.107 367 E HA -0.103 4.247 4.350 0.000 0.000 0.191 367 E C 1.975 178.552 176.600 -0.038 0.000 0.982 367 E CA 0.430 56.802 56.400 -0.048 0.000 0.809 367 E CB 0.157 29.822 29.700 -0.060 0.000 0.756 367 E HN 0.234 nan 8.360 nan 0.000 0.459 368 R N 0.377 120.848 120.500 -0.050 0.000 2.073 368 R HA -0.101 4.239 4.340 0.000 0.000 0.229 368 R C 2.621 178.903 176.300 -0.030 0.000 1.120 368 R CA 1.453 57.527 56.100 -0.042 0.000 0.967 368 R CB -0.394 29.873 30.300 -0.055 0.000 0.862 368 R HN 0.185 nan 8.270 nan 0.000 0.436 369 V N -1.460 118.436 119.914 -0.030 0.000 2.358 369 V HA -0.089 4.032 4.120 0.000 0.000 0.246 369 V C 2.396 178.481 176.094 -0.015 0.000 1.047 369 V CA 1.674 63.961 62.300 -0.022 0.000 1.035 369 V CB -1.139 30.671 31.823 -0.022 0.000 0.658 369 V HN 0.211 nan 8.190 nan 0.000 0.452 370 A N 0.673 123.483 122.820 -0.016 0.000 1.917 370 A HA -0.243 4.077 4.320 0.000 0.000 0.219 370 A C 2.334 179.917 177.584 -0.002 0.000 1.182 370 A CA 2.495 54.526 52.037 -0.009 0.000 0.633 370 A CB -0.589 18.405 19.000 -0.011 0.000 0.819 370 A HN 0.643 nan 8.150 nan 0.000 0.448 371 K N -1.242 119.159 120.400 0.001 0.000 1.991 371 K HA -0.017 4.303 4.320 0.000 0.000 0.207 371 K C 1.932 178.540 176.600 0.013 0.000 1.045 371 K CA 1.186 57.482 56.287 0.014 0.000 0.937 371 K CB -0.346 32.170 32.500 0.026 0.000 0.720 371 K HN 0.307 nan 8.250 nan 0.000 0.438 372 L N 0.856 122.082 121.223 0.005 0.000 2.017 372 L HA -0.080 4.260 4.340 0.000 0.000 0.208 372 L C 1.925 178.796 176.870 0.002 0.000 1.073 372 L CA 1.813 56.656 54.840 0.004 0.000 0.745 372 L CB -0.788 41.268 42.059 -0.005 0.000 0.894 372 L HN 0.164 nan 8.230 nan 0.000 0.432 373 A N -1.744 121.075 122.820 -0.002 0.000 2.251 373 A HA 0.316 4.636 4.320 0.000 0.000 0.209 373 A C 2.019 179.603 177.584 -0.001 0.000 1.187 373 A CA 0.667 52.703 52.037 -0.002 0.000 0.823 373 A CB -0.777 18.219 19.000 -0.005 0.000 0.846 373 A HN 0.455 nan 8.150 nan 0.000 0.486 374 G N -1.054 107.747 108.800 0.002 0.000 2.719 374 G HA2 0.411 4.371 3.960 0.000 0.000 0.211 374 G HA3 0.411 4.371 3.960 0.000 0.000 0.211 374 G C 1.050 175.952 174.900 0.003 0.000 1.140 374 G CA 0.611 45.712 45.100 0.002 0.000 0.790 374 G HN 1.459 nan 8.290 nan 0.000 0.529 375 G N -1.030 107.773 108.800 0.006 0.000 2.692 375 G HA2 -0.058 3.902 3.960 0.000 0.000 0.248 375 G HA3 -0.058 3.902 3.960 0.000 0.000 0.248 375 G C -0.544 174.360 174.900 0.006 0.000 1.340 375 G CA -0.078 45.025 45.100 0.006 0.000 0.896 375 G HN 1.022 nan 8.290 nan 0.000 0.570 376 V N 0.192 120.109 119.914 0.004 0.000 2.638 376 V HA 0.717 4.838 4.120 0.000 0.000 0.306 376 V C 0.687 176.781 176.094 0.002 0.000 1.052 376 V CA -0.119 62.182 62.300 0.002 0.000 0.885 376 V CB 1.442 33.266 31.823 0.002 0.000 0.999 376 V HN 2.054 nan 8.190 nan 0.000 0.424 377 A N 4.382 127.203 122.820 0.002 0.000 2.362 377 A HA 0.693 5.013 4.320 0.000 0.000 0.276 377 A C -0.373 177.213 177.584 0.003 0.000 1.153 377 A CA -0.272 51.766 52.037 0.002 0.000 0.813 377 A CB 0.593 19.596 19.000 0.003 0.000 1.081 377 A HN 0.758 nan 8.150 nan 0.000 0.507 378 V N 5.098 125.013 119.914 0.001 0.000 2.347 378 V HA 0.233 4.354 4.120 0.000 0.000 0.280 378 V C 0.019 176.113 176.094 0.002 0.000 1.021 378 V CA -0.147 62.154 62.300 0.001 0.000 0.847 378 V CB 0.910 32.732 31.823 -0.001 0.000 0.990 378 V HN 0.717 nan 8.190 nan 0.000 0.444 379 I N 6.429 127.001 120.570 0.003 0.000 2.322 379 I HA 0.305 4.475 4.170 0.000 0.000 0.292 379 I C 0.311 176.428 176.117 0.000 0.000 1.060 379 I CA -0.371 60.930 61.300 0.002 0.000 1.309 379 I CB 0.571 38.573 38.000 0.004 0.000 1.415 379 I HN 0.515 nan 8.210 nan 0.000 0.492 380 K N 6.767 127.166 120.400 -0.001 0.000 2.253 380 K HA 0.447 4.767 4.320 0.000 0.000 0.277 380 K C -0.685 175.913 176.600 -0.003 0.000 1.053 380 K CA -0.678 55.607 56.287 -0.003 0.000 0.892 380 K CB 2.011 34.509 32.500 -0.003 0.000 1.102 380 K HN 0.270 nan 8.250 nan 0.000 0.469 381 V N 2.520 122.432 119.914 -0.004 0.000 2.432 381 V HA 0.267 4.387 4.120 0.000 0.000 0.271 381 V C 0.845 176.936 176.094 -0.005 0.000 1.046 381 V CA -0.507 61.790 62.300 -0.005 0.000 0.945 381 V CB 1.081 32.900 31.823 -0.007 0.000 0.992 381 V HN 0.904 nan 8.190 nan 0.000 0.471 382 G N 2.997 111.794 108.800 -0.005 0.000 2.434 382 G HA2 0.842 4.802 3.960 0.000 0.000 0.330 382 G HA3 0.842 4.802 3.960 0.000 0.000 0.330 382 G C -0.465 174.432 174.900 -0.004 0.000 1.155 382 G CA 0.149 45.246 45.100 -0.004 0.000 0.917 382 G HN 1.198 nan 8.290 nan 0.000 0.493 383 A N -0.584 122.233 122.820 -0.004 0.000 2.506 383 A HA 0.799 5.119 4.320 0.000 0.000 0.305 383 A C 0.748 178.330 177.584 -0.003 0.000 1.166 383 A CA 0.469 52.504 52.037 -0.004 0.000 0.638 383 A CB 0.306 19.303 19.000 -0.005 0.000 1.336 383 A HN 1.781 nan 8.150 nan 0.000 0.493 384 A N -0.890 121.928 122.820 -0.003 0.000 1.943 384 A HA 0.480 4.800 4.320 0.000 0.000 0.213 384 A C 1.129 178.712 177.584 -0.003 0.000 1.181 384 A CA 2.171 54.207 52.037 -0.003 0.000 0.653 384 A CB -0.479 18.520 19.000 -0.003 0.000 0.833 384 A HN 1.881 nan 8.150 nan 0.000 0.451 385 T N -3.989 110.563 114.554 -0.003 0.000 2.901 385 T HA 0.470 4.821 4.350 0.000 0.000 0.293 385 T C 0.477 175.175 174.700 -0.002 0.000 1.084 385 T CA 0.027 62.126 62.100 -0.002 0.000 1.008 385 T CB 1.920 70.787 68.868 -0.002 0.000 1.170 385 T HN 0.226 nan 8.240 nan 0.000 0.509 386 E N 0.063 120.262 120.200 -0.002 0.000 2.085 386 E HA -0.171 4.180 4.350 0.000 0.000 0.194 386 E C 1.881 178.480 176.600 -0.002 0.000 0.994 386 E CA 1.689 58.088 56.400 -0.002 0.000 0.801 386 E CB -0.295 29.405 29.700 -0.001 0.000 0.743 386 E HN 0.544 nan 8.360 nan 0.000 0.453 387 V N 0.812 120.725 119.914 -0.002 0.000 2.343 387 V HA -0.249 3.872 4.120 0.000 0.000 0.247 387 V C 2.100 178.191 176.094 -0.004 0.000 1.051 387 V CA 2.256 64.555 62.300 -0.002 0.000 1.036 387 V CB -0.662 31.161 31.823 -0.001 0.000 0.654 387 V HN 0.250 nan 8.190 nan 0.000 0.451 388 E N -0.488 119.710 120.200 -0.004 0.000 2.107 388 E HA -0.161 4.190 4.350 0.000 0.000 0.191 388 E C 2.205 178.801 176.600 -0.006 0.000 0.982 388 E CA 1.104 57.501 56.400 -0.005 0.000 0.809 388 E CB -0.223 29.474 29.700 -0.005 0.000 0.756 388 E HN 0.421 nan 8.360 nan 0.000 0.459 389 M N 1.095 120.692 119.600 -0.006 0.000 2.065 389 M HA -0.206 4.275 4.480 0.000 0.000 0.259 389 M C 1.767 178.062 176.300 -0.008 0.000 1.069 389 M CA 1.650 56.946 55.300 -0.007 0.000 1.110 389 M CB -0.194 32.403 32.600 -0.005 0.000 1.328 389 M HN -0.101 nan 8.290 nan 0.000 0.405 390 K N 0.346 120.741 120.400 -0.008 0.000 2.147 390 K HA -0.156 4.164 4.320 0.000 0.000 0.205 390 K C 1.818 178.411 176.600 -0.012 0.000 1.049 390 K CA 1.471 57.753 56.287 -0.009 0.000 0.936 390 K CB -0.315 32.181 32.500 -0.007 0.000 0.722 390 K HN 0.570 nan 8.250 nan 0.000 0.446 391 E N 0.396 120.589 120.200 -0.011 0.000 2.107 391 E HA -0.129 4.221 4.350 0.000 0.000 0.191 391 E C 2.022 178.611 176.600 -0.017 0.000 0.982 391 E CA 0.886 57.277 56.400 -0.014 0.000 0.809 391 E CB 0.070 29.763 29.700 -0.011 0.000 0.756 391 E HN 0.169 nan 8.360 nan 0.000 0.459 392 K N 1.355 121.747 120.400 -0.015 0.000 2.103 392 K HA -0.143 4.177 4.320 0.000 0.000 0.204 392 K C 2.108 178.697 176.600 -0.019 0.000 1.052 392 K CA 0.939 57.217 56.287 -0.015 0.000 0.945 392 K CB 0.110 32.603 32.500 -0.011 0.000 0.722 392 K HN -0.118 nan 8.250 nan 0.000 0.443 393 K N 0.267 120.656 120.400 -0.018 0.000 2.044 393 K HA -0.183 4.137 4.320 0.000 0.000 0.210 393 K C 1.958 178.538 176.600 -0.034 0.000 1.049 393 K CA 1.509 57.783 56.287 -0.022 0.000 0.927 393 K CB -0.203 32.286 32.500 -0.018 0.000 0.713 393 K HN 0.204 nan 8.250 nan 0.000 0.443 394 A N 1.252 124.051 122.820 -0.035 0.000 1.902 394 A HA -0.171 4.150 4.320 0.000 0.000 0.217 394 A C 2.122 179.671 177.584 -0.058 0.000 1.181 394 A CA 1.453 53.461 52.037 -0.050 0.000 0.623 394 A CB -0.472 18.503 19.000 -0.041 0.000 0.818 394 A HN 0.319 nan 8.150 nan 0.000 0.443 395 R N -0.783 119.692 120.500 -0.041 0.000 2.073 395 R HA -0.088 4.252 4.340 0.000 0.000 0.234 395 R C 2.105 178.380 176.300 -0.041 0.000 1.134 395 R CA 1.547 57.624 56.100 -0.038 0.000 0.952 395 R CB -0.551 29.734 30.300 -0.025 0.000 0.850 395 R HN 0.390 nan 8.270 nan 0.000 0.433 396 V N 1.114 121.008 119.914 -0.034 0.000 2.332 396 V HA -0.264 3.856 4.120 0.000 0.000 0.248 396 V C 1.991 178.058 176.094 -0.044 0.000 1.055 396 V CA 1.900 64.183 62.300 -0.028 0.000 1.038 396 V CB -0.433 31.379 31.823 -0.018 0.000 0.651 396 V HN 0.368 nan 8.190 nan 0.000 0.450 397 E N -0.204 119.950 120.200 -0.077 0.000 2.058 397 E HA -0.238 4.112 4.350 0.000 0.000 0.194 397 E C 2.013 178.458 176.600 -0.259 0.000 0.997 397 E CA 1.610 57.919 56.400 -0.150 0.000 0.801 397 E CB -0.163 29.433 29.700 -0.173 0.000 0.746 397 E HN 0.603 nan 8.360 nan 0.000 0.450 398 D N 0.099 120.383 120.400 -0.193 0.000 2.084 398 D HA -0.153 4.487 4.640 0.000 0.000 0.194 398 D C 1.884 178.144 176.300 -0.065 0.000 0.990 398 D CA 1.434 55.337 54.000 -0.161 0.000 0.826 398 D CB -0.455 40.289 40.800 -0.093 0.000 0.971 398 D HN 0.190 nan 8.370 nan 0.000 0.453 399 A N 0.627 123.425 122.820 -0.037 0.000 1.948 399 A HA -0.175 4.146 4.320 0.000 0.000 0.220 399 A C 2.176 179.779 177.584 0.031 0.000 1.177 399 A CA 1.220 53.256 52.037 -0.001 0.000 0.636 399 A CB -0.713 18.284 19.000 -0.005 0.000 0.815 399 A HN 0.265 nan 8.150 nan 0.000 0.449 400 L N -0.733 120.515 121.223 0.042 0.000 2.056 400 L HA -0.138 4.202 4.340 0.000 0.000 0.207 400 L C 2.312 179.291 176.870 0.181 0.000 1.078 400 L CA 2.262 57.162 54.840 0.100 0.000 0.749 400 L CB -0.757 41.371 42.059 0.115 0.000 0.901 400 L HN 0.577 nan 8.230 nan 0.000 0.433 401 H N -1.021 118.046 119.070 -0.004 0.000 2.353 401 H HA -0.080 4.476 4.556 0.000 0.000 0.300 401 H C 2.119 177.446 175.328 -0.000 0.000 1.090 401 H CA 0.769 56.815 56.048 -0.003 0.000 1.327 401 H CB 0.019 29.778 29.762 -0.004 0.000 1.383 401 H HN 0.544 nan 8.280 nan 0.000 0.508 402 A N 0.659 123.560 122.820 0.135 0.000 1.902 402 A HA -0.159 4.161 4.320 0.000 0.000 0.217 402 A C 2.433 180.047 177.584 0.050 0.000 1.181 402 A CA 2.013 54.092 52.037 0.071 0.000 0.623 402 A CB -0.788 18.239 19.000 0.044 0.000 0.818 402 A HN 0.333 nan 8.150 nan 0.000 0.443 403 T N -0.881 113.703 114.554 0.049 0.000 2.857 403 T HA -0.066 4.284 4.350 0.000 0.000 0.266 403 T C 2.138 176.853 174.700 0.026 0.000 1.048 403 T CA 1.062 63.181 62.100 0.032 0.000 1.139 403 T CB -0.201 68.684 68.868 0.028 0.000 0.874 403 T HN 0.267 nan 8.240 nan 0.000 0.455 404 R N 1.907 122.425 120.500 0.030 0.000 2.080 404 R HA 0.059 4.400 4.340 0.000 0.000 0.236 404 R C 2.605 178.908 176.300 0.005 0.000 1.137 404 R CA 1.927 58.033 56.100 0.009 0.000 0.943 404 R CB -1.270 29.024 30.300 -0.011 0.000 0.846 404 R HN 0.418 nan 8.270 nan 0.000 0.431 405 A N 0.271 123.098 122.820 0.012 0.000 1.908 405 A HA -0.117 4.204 4.320 0.000 0.000 0.218 405 A C 2.341 179.934 177.584 0.015 0.000 1.181 405 A CA 2.180 54.225 52.037 0.013 0.000 0.627 405 A CB -0.787 18.227 19.000 0.023 0.000 0.818 405 A HN 0.434 nan 8.150 nan 0.000 0.445 406 A N -0.210 122.621 122.820 0.018 0.000 1.969 406 A HA 0.045 4.365 4.320 0.000 0.000 0.218 406 A C 2.276 179.867 177.584 0.012 0.000 1.169 406 A CA 1.887 53.934 52.037 0.015 0.000 0.635 406 A CB -1.044 17.966 19.000 0.017 0.000 0.810 406 A HN 1.223 nan 8.150 nan 0.000 0.445 407 V N -2.355 117.565 119.914 0.010 0.000 2.871 407 V HA -0.106 4.014 4.120 0.000 0.000 0.256 407 V C 1.729 177.826 176.094 0.006 0.000 1.082 407 V CA 2.112 64.416 62.300 0.007 0.000 1.105 407 V CB -0.620 31.207 31.823 0.006 0.000 0.713 407 V HN 0.571 nan 8.190 nan 0.000 0.473 408 E N 0.531 120.734 120.200 0.005 0.000 2.046 408 E HA -0.088 4.263 4.350 0.000 0.000 0.190 408 E C 1.669 178.273 176.600 0.006 0.000 0.982 408 E CA 1.665 58.068 56.400 0.004 0.000 0.800 408 E CB 0.047 29.748 29.700 0.003 0.000 0.756 408 E HN 0.764 nan 8.360 nan 0.000 0.449 409 E N -1.149 119.056 120.200 0.008 0.000 2.753 409 E HA 0.198 4.548 4.350 0.000 0.000 0.218 409 E C 0.190 176.796 176.600 0.010 0.000 0.956 409 E CA 0.146 56.551 56.400 0.009 0.000 1.244 409 E CB 1.698 31.404 29.700 0.009 0.000 1.114 409 E HN 0.243 nan 8.360 nan 0.000 0.530 410 G N 0.960 109.766 108.800 0.011 0.000 2.584 410 G HA2 -0.242 3.718 3.960 0.000 0.000 0.229 410 G HA3 -0.242 3.718 3.960 0.000 0.000 0.229 410 G C -0.710 174.198 174.900 0.013 0.000 1.320 410 G CA -0.276 44.831 45.100 0.011 0.000 0.891 410 G HN 0.140 nan 8.290 nan 0.000 0.573 411 V N -0.097 119.825 119.914 0.014 0.000 2.925 411 V HA 0.787 4.907 4.120 0.000 0.000 0.311 411 V C 0.186 176.290 176.094 0.016 0.000 1.104 411 V CA 0.232 62.541 62.300 0.015 0.000 0.954 411 V CB 1.888 33.719 31.823 0.014 0.000 1.022 411 V HN 2.006 nan 8.190 nan 0.000 0.427 412 V N 1.907 121.831 119.914 0.017 0.000 3.159 412 V HA 0.958 5.079 4.120 0.000 0.000 0.308 412 V C 0.093 176.198 176.094 0.019 0.000 1.190 412 V CA -0.930 61.382 62.300 0.020 0.000 1.037 412 V CB 1.534 33.369 31.823 0.021 0.000 1.060 412 V HN 1.406 nan 8.190 nan 0.000 0.437 413 A N 1.031 123.865 122.820 0.023 0.000 2.567 413 A HA 0.575 4.895 4.320 0.000 0.000 0.240 413 A C 0.943 178.537 177.584 0.017 0.000 1.053 413 A CA 0.810 52.860 52.037 0.021 0.000 0.755 413 A CB -0.635 18.383 19.000 0.029 0.000 0.978 413 A HN 2.021 nan 8.150 nan 0.000 0.507 414 G N 0.851 109.656 108.800 0.009 0.000 2.508 414 G HA2 0.516 4.476 3.960 0.000 0.000 0.278 414 G HA3 0.516 4.476 3.960 0.000 0.000 0.278 414 G C 1.170 176.075 174.900 0.008 0.000 1.389 414 G CA -0.013 45.091 45.100 0.007 0.000 1.050 414 G HN 2.267 nan 8.290 nan 0.000 0.522 415 G N -2.050 106.754 108.800 0.006 0.000 2.321 415 G HA2 0.209 4.169 3.960 0.000 0.000 0.287 415 G HA3 0.209 4.169 3.960 0.000 0.000 0.287 415 G C 1.475 176.391 174.900 0.026 0.000 1.018 415 G CA 1.340 46.448 45.100 0.012 0.000 0.855 415 G HN 2.479 nan 8.290 nan 0.000 0.507 416 G N -3.193 105.622 108.800 0.024 0.000 2.199 416 G HA2 -0.232 3.728 3.960 0.000 0.000 0.254 416 G HA3 -0.232 3.728 3.960 0.000 0.000 0.254 416 G C 1.337 176.256 174.900 0.032 0.000 0.982 416 G CA 1.050 46.166 45.100 0.027 0.000 0.632 416 G HN 1.417 nan 8.290 nan 0.000 0.529 417 V N 1.065 120.999 119.914 0.033 0.000 2.307 417 V HA 0.055 4.175 4.120 0.000 0.000 0.245 417 V C 3.255 179.373 176.094 0.040 0.000 1.045 417 V CA 2.833 65.157 62.300 0.040 0.000 1.024 417 V CB -1.110 30.735 31.823 0.036 0.000 0.651 417 V HN 0.954 nan 8.190 nan 0.000 0.449 418 A N 0.014 122.854 122.820 0.034 0.000 1.892 418 A HA -0.235 4.085 4.320 0.000 0.000 0.218 418 A C 2.255 179.858 177.584 0.031 0.000 1.188 418 A CA 2.174 54.231 52.037 0.033 0.000 0.631 418 A CB -0.649 18.368 19.000 0.027 0.000 0.822 418 A HN 0.497 nan 8.150 nan 0.000 0.447 419 L N -1.138 120.103 121.223 0.029 0.000 1.994 419 L HA -0.159 4.181 4.340 0.000 0.000 0.208 419 L C 2.543 179.430 176.870 0.028 0.000 1.071 419 L CA 1.670 56.526 54.840 0.026 0.000 0.745 419 L CB -0.373 41.700 42.059 0.024 0.000 0.892 419 L HN 0.482 nan 8.230 nan 0.000 0.431 420 I N -0.476 120.114 120.570 0.033 0.000 2.493 420 I HA -0.295 3.876 4.170 0.000 0.000 0.254 420 I C 2.717 178.859 176.117 0.042 0.000 1.160 420 I CA 0.848 62.170 61.300 0.036 0.000 1.445 420 I CB 0.016 38.040 38.000 0.040 0.000 1.086 420 I HN 0.202 nan 8.210 nan 0.000 0.433 421 R N 0.490 121.018 120.500 0.046 0.000 2.057 421 R HA -0.148 4.193 4.340 0.000 0.000 0.229 421 R C 2.290 178.613 176.300 0.038 0.000 1.136 421 R CA 2.183 58.314 56.100 0.051 0.000 0.952 421 R CB -0.701 29.634 30.300 0.058 0.000 0.848 421 R HN 0.389 nan 8.270 nan 0.000 0.430 422 V N -0.827 119.105 119.914 0.031 0.000 2.490 422 V HA -0.057 4.064 4.120 0.000 0.000 0.250 422 V C 2.103 178.210 176.094 0.020 0.000 1.061 422 V CA 1.804 64.118 62.300 0.023 0.000 1.064 422 V CB -1.040 30.794 31.823 0.019 0.000 0.670 422 V HN 0.381 nan 8.190 nan 0.000 0.461 423 A N 1.753 124.586 122.820 0.022 0.000 1.877 423 A HA -0.150 4.170 4.320 0.000 0.000 0.216 423 A C 2.591 180.187 177.584 0.019 0.000 1.186 423 A CA 2.518 54.566 52.037 0.018 0.000 0.620 423 A CB -1.183 17.828 19.000 0.018 0.000 0.822 423 A HN 1.057 nan 8.150 nan 0.000 0.443 424 S N -0.077 115.637 115.700 0.024 0.000 2.469 424 S HA -0.122 4.348 4.470 0.000 0.000 0.238 424 S C 1.464 176.076 174.600 0.019 0.000 0.998 424 S CA 1.446 59.660 58.200 0.023 0.000 0.957 424 S CB -0.336 62.883 63.200 0.030 0.000 0.764 424 S HN 0.616 nan 8.310 nan 0.000 0.514 425 K N 0.581 120.992 120.400 0.019 0.000 2.459 425 K HA 0.311 4.632 4.320 0.000 0.000 0.193 425 K C 0.836 177.443 176.600 0.010 0.000 1.030 425 K CA 0.334 56.630 56.287 0.014 0.000 1.026 425 K CB -0.060 32.449 32.500 0.015 0.000 0.809 425 K HN 0.393 nan 8.250 nan 0.000 0.504 426 L N -0.007 121.222 121.223 0.010 0.000 2.818 426 L HA 0.259 4.599 4.340 0.000 0.000 0.243 426 L C 1.627 178.501 176.870 0.007 0.000 1.185 426 L CA -0.232 54.612 54.840 0.008 0.000 0.988 426 L CB 0.237 42.301 42.059 0.007 0.000 1.292 426 L HN 0.080 nan 8.230 nan 0.000 0.519 427 A N 0.065 122.890 122.820 0.007 0.000 1.978 427 A HA -0.183 4.138 4.320 0.000 0.000 0.220 427 A C 1.522 179.108 177.584 0.004 0.000 1.170 427 A CA 1.563 53.603 52.037 0.006 0.000 0.636 427 A CB -0.184 18.820 19.000 0.006 0.000 0.810 427 A HN 0.374 nan 8.150 nan 0.000 0.448 428 D N -0.780 119.622 120.400 0.004 0.000 2.328 428 D HA 0.135 4.776 4.640 0.000 0.000 0.226 428 D C 0.195 176.496 176.300 0.002 0.000 1.066 428 D CA -0.128 53.873 54.000 0.003 0.000 0.861 428 D CB -0.162 40.639 40.800 0.002 0.000 0.912 428 D HN 0.355 nan 8.370 nan 0.000 0.521 429 L N 1.768 122.993 121.223 0.003 0.000 2.410 429 L HA 0.129 4.469 4.340 0.000 0.000 0.273 429 L C 0.186 177.058 176.870 0.002 0.000 1.152 429 L CA 0.390 55.231 54.840 0.002 0.000 0.855 429 L CB 0.267 42.327 42.059 0.002 0.000 1.129 429 L HN -0.228 nan 8.230 nan 0.000 0.463 430 R N 3.161 123.662 120.500 0.001 0.000 2.905 430 R HA 0.781 5.121 4.340 0.000 0.000 0.260 430 R C -0.315 175.985 176.300 0.001 0.000 1.086 430 R CA -0.452 55.648 56.100 0.001 0.000 0.978 430 R CB 1.374 31.675 30.300 0.001 0.000 1.215 430 R HN 0.800 nan 8.270 nan 0.000 0.480 431 G N -0.579 108.222 108.800 0.001 0.000 3.211 431 G HA2 0.263 4.224 3.960 0.000 0.000 0.262 431 G HA3 0.263 4.224 3.960 0.000 0.000 0.262 431 G C -0.011 174.889 174.900 0.000 0.000 1.352 431 G CA -0.387 44.713 45.100 0.000 0.000 1.004 431 G HN 0.395 nan 8.290 nan 0.000 0.559 432 Q N -0.576 119.224 119.800 0.000 0.000 2.291 432 Q HA 0.060 4.400 4.340 0.000 0.000 0.205 432 Q C 0.475 176.475 176.000 0.000 0.000 0.970 432 Q CA 1.392 57.195 55.803 0.000 0.000 0.876 432 Q CB -0.105 28.633 28.738 0.000 0.000 0.935 432 Q HN 0.604 nan 8.270 nan 0.000 0.455 433 N N -1.978 116.722 118.700 0.001 0.000 3.308 433 N HA 0.016 4.756 4.740 0.000 0.000 0.276 433 N C -0.106 175.405 175.510 0.001 0.000 1.533 433 N CA -0.551 52.500 53.050 0.001 0.000 0.878 433 N CB 0.385 38.873 38.487 0.001 0.000 1.566 433 N HN -0.202 nan 8.380 nan 0.000 0.546 434 E N -0.472 119.729 120.200 0.001 0.000 2.106 434 E HA -0.076 4.275 4.350 0.000 0.000 0.192 434 E C 0.425 177.026 176.600 0.002 0.000 0.984 434 E CA 1.604 58.005 56.400 0.001 0.000 0.806 434 E CB -0.338 29.362 29.700 0.001 0.000 0.750 434 E HN 0.568 nan 8.360 nan 0.000 0.458 435 D N 0.092 120.493 120.400 0.002 0.000 2.144 435 D HA -0.134 4.507 4.640 0.000 0.000 0.200 435 D C 1.835 178.137 176.300 0.002 0.000 0.978 435 D CA 0.901 54.902 54.000 0.002 0.000 0.833 435 D CB -0.175 40.627 40.800 0.003 0.000 0.961 435 D HN 0.343 nan 8.370 nan 0.000 0.470 436 Q N 0.067 119.868 119.800 0.002 0.000 2.167 436 Q HA -0.069 4.271 4.340 0.000 0.000 0.202 436 Q C 1.756 177.757 176.000 0.002 0.000 0.970 436 Q CA 0.858 56.662 55.803 0.002 0.000 0.855 436 Q CB -0.097 28.642 28.738 0.001 0.000 0.911 436 Q HN 0.412 nan 8.270 nan 0.000 0.438 437 N N -0.235 118.466 118.700 0.002 0.000 2.188 437 N HA -0.144 4.596 4.740 0.000 0.000 0.184 437 N C 1.883 177.395 175.510 0.003 0.000 1.018 437 N CA 1.082 54.134 53.050 0.002 0.000 0.858 437 N CB -0.018 38.470 38.487 0.002 0.000 0.989 437 N HN 0.121 nan 8.380 nan 0.000 0.426 438 V N 0.168 120.083 119.914 0.003 0.000 2.548 438 V HA 0.037 4.158 4.120 0.000 0.000 0.249 438 V C 2.007 178.104 176.094 0.004 0.000 1.055 438 V CA 1.975 64.277 62.300 0.003 0.000 1.065 438 V CB -1.003 30.822 31.823 0.003 0.000 0.681 438 V HN 0.249 nan 8.190 nan 0.000 0.462 439 G N 0.691 109.493 108.800 0.004 0.000 2.491 439 G HA2 -0.273 3.688 3.960 0.000 0.000 0.218 439 G HA3 -0.273 3.688 3.960 0.000 0.000 0.218 439 G C 1.517 176.420 174.900 0.004 0.000 1.180 439 G CA 1.541 46.643 45.100 0.004 0.000 0.774 439 G HN 0.568 nan 8.290 nan 0.000 0.562 440 I N 0.638 121.210 120.570 0.003 0.000 2.091 440 I HA -0.240 3.930 4.170 0.000 0.000 0.239 440 I C 2.847 178.967 176.117 0.004 0.000 1.061 440 I CA 1.550 62.852 61.300 0.003 0.000 1.317 440 I CB -0.184 37.817 38.000 0.003 0.000 1.031 440 I HN 0.019 nan 8.210 nan 0.000 0.401 441 K N 0.620 121.023 120.400 0.004 0.000 2.044 441 K HA -0.142 4.178 4.320 0.000 0.000 0.210 441 K C 2.143 178.747 176.600 0.006 0.000 1.049 441 K CA 1.239 57.529 56.287 0.005 0.000 0.927 441 K CB -1.100 31.403 32.500 0.005 0.000 0.713 441 K HN 0.228 nan 8.250 nan 0.000 0.443 442 V N 1.858 121.776 119.914 0.006 0.000 2.231 442 V HA -0.331 3.789 4.120 0.000 0.000 0.250 442 V C 2.546 178.644 176.094 0.008 0.000 1.058 442 V CA 2.369 64.673 62.300 0.007 0.000 1.022 442 V CB -1.017 30.810 31.823 0.007 0.000 0.640 442 V HN 0.385 nan 8.190 nan 0.000 0.445 443 A N -0.591 122.233 122.820 0.007 0.000 1.908 443 A HA -0.182 4.138 4.320 0.000 0.000 0.218 443 A C 2.213 179.802 177.584 0.009 0.000 1.181 443 A CA 2.010 54.052 52.037 0.008 0.000 0.627 443 A CB -0.591 18.412 19.000 0.005 0.000 0.818 443 A HN 0.521 nan 8.150 nan 0.000 0.445 444 L N -1.320 119.908 121.223 0.008 0.000 2.083 444 L HA -0.163 4.178 4.340 0.000 0.000 0.209 444 L C 2.827 179.704 176.870 0.011 0.000 1.083 444 L CA 1.761 56.607 54.840 0.010 0.000 0.752 444 L CB -0.471 41.593 42.059 0.009 0.000 0.899 444 L HN 0.493 nan 8.230 nan 0.000 0.433 445 R N 0.136 120.641 120.500 0.010 0.000 2.127 445 R HA -0.040 4.301 4.340 0.000 0.000 0.217 445 R C 2.279 178.585 176.300 0.011 0.000 1.074 445 R CA 0.969 57.075 56.100 0.010 0.000 0.991 445 R CB -0.003 30.302 30.300 0.008 0.000 0.895 445 R HN 0.273 nan 8.270 nan 0.000 0.450 446 A N 1.028 123.855 122.820 0.011 0.000 1.969 446 A HA -0.110 4.210 4.320 0.000 0.000 0.218 446 A C 2.069 179.661 177.584 0.014 0.000 1.169 446 A CA 1.093 53.137 52.037 0.013 0.000 0.635 446 A CB -0.352 18.656 19.000 0.013 0.000 0.810 446 A HN 0.320 nan 8.150 nan 0.000 0.445 447 M N -0.199 119.410 119.600 0.015 0.000 2.530 447 M HA -0.168 4.312 4.480 0.000 0.000 0.261 447 M C 1.409 177.720 176.300 0.018 0.000 1.067 447 M CA 1.265 56.575 55.300 0.017 0.000 1.071 447 M CB -0.453 32.157 32.600 0.017 0.000 1.405 447 M HN 0.481 nan 8.290 nan 0.000 0.478 448 E N 0.509 120.718 120.200 0.016 0.000 2.371 448 E HA 0.005 4.355 4.350 0.000 0.000 0.194 448 E C 2.185 178.792 176.600 0.012 0.000 1.012 448 E CA 0.603 57.012 56.400 0.015 0.000 0.860 448 E CB -0.049 29.659 29.700 0.013 0.000 0.811 448 E HN 0.526 nan 8.360 nan 0.000 0.502 449 A N 2.639 125.467 122.820 0.012 0.000 1.892 449 A HA -0.163 4.157 4.320 0.000 0.000 0.218 449 A C -0.259 177.332 177.584 0.012 0.000 1.188 449 A CA 1.459 53.502 52.037 0.011 0.000 0.631 449 A CB -1.491 17.517 19.000 0.012 0.000 0.822 449 A HN 0.151 nan 8.150 nan 0.000 0.447 450 P HA -0.156 nan 4.420 nan 0.000 0.214 450 P C 1.775 179.085 177.300 0.017 0.000 1.163 450 P CA 1.116 64.226 63.100 0.017 0.000 0.883 450 P CB -0.172 31.540 31.700 0.020 0.000 0.788 451 L N -0.217 121.016 121.223 0.018 0.000 2.042 451 L HA -0.167 4.173 4.340 0.000 0.000 0.210 451 L C 2.372 179.243 176.870 0.001 0.000 1.076 451 L CA 1.907 56.758 54.840 0.018 0.000 0.749 451 L CB -0.776 41.296 42.059 0.021 0.000 0.893 451 L HN -0.217 nan 8.230 nan 0.000 0.432 452 R N -0.980 119.519 120.500 -0.003 0.000 2.105 452 R HA -0.214 4.127 4.340 0.000 0.000 0.239 452 R C 2.324 178.619 176.300 -0.008 0.000 1.135 452 R CA 1.514 57.606 56.100 -0.013 0.000 0.967 452 R CB -0.539 29.755 30.300 -0.009 0.000 0.861 452 R HN 0.390 nan 8.270 nan 0.000 0.442 453 Q N 1.095 120.896 119.800 0.001 0.000 2.119 453 Q HA -0.028 4.312 4.340 0.000 0.000 0.201 453 Q C 1.854 177.858 176.000 0.008 0.000 0.972 453 Q CA 1.434 57.240 55.803 0.004 0.000 0.847 453 Q CB -0.092 28.651 28.738 0.008 0.000 0.903 453 Q HN 0.360 nan 8.270 nan 0.000 0.433 454 I N -0.796 119.782 120.570 0.014 0.000 2.179 454 I HA -0.253 3.917 4.170 0.000 0.000 0.242 454 I C 1.897 178.034 176.117 0.034 0.000 1.088 454 I CA 0.910 62.226 61.300 0.027 0.000 1.357 454 I CB -0.155 37.868 38.000 0.038 0.000 1.051 454 I HN 0.039 nan 8.210 nan 0.000 0.409 455 V N 0.500 120.423 119.914 0.015 0.000 2.626 455 V HA -0.229 3.891 4.120 0.000 0.000 0.252 455 V C 2.235 178.321 176.094 -0.013 0.000 1.067 455 V CA 1.206 63.499 62.300 -0.012 0.000 1.081 455 V CB -0.312 31.436 31.823 -0.124 0.000 0.686 455 V HN 0.352 nan 8.190 nan 0.000 0.468 456 L N 0.801 122.018 121.223 -0.010 0.000 2.027 456 L HA -0.084 4.256 4.340 0.000 0.000 0.206 456 L C 2.178 179.051 176.870 0.004 0.000 1.074 456 L CA 1.861 56.698 54.840 -0.006 0.000 0.745 456 L CB -0.774 41.282 42.059 -0.005 0.000 0.898 456 L HN 0.296 nan 8.230 nan 0.000 0.433 457 N N -0.863 117.842 118.700 0.009 0.000 2.289 457 N HA -0.166 4.574 4.740 0.000 0.000 0.184 457 N C 1.725 177.244 175.510 0.015 0.000 1.016 457 N CA 1.581 54.638 53.050 0.011 0.000 0.872 457 N CB -0.832 37.662 38.487 0.011 0.000 0.973 457 N HN 0.444 nan 8.380 nan 0.000 0.433 458 C N -0.480 118.836 119.300 0.026 0.000 2.491 458 C HA 0.243 4.703 4.460 0.000 0.000 0.277 458 C C 1.749 176.754 174.990 0.026 0.000 1.455 458 C CA 0.230 59.270 59.018 0.036 0.000 1.758 458 C CB -1.238 26.548 27.740 0.078 0.000 1.745 458 C HN 0.609 nan 8.230 nan 0.000 0.558 459 G N 0.822 109.631 108.800 0.015 0.000 2.143 459 G HA2 -0.177 3.783 3.960 0.000 0.000 0.248 459 G HA3 -0.177 3.783 3.960 0.000 0.000 0.248 459 G C -0.138 174.766 174.900 0.008 0.000 0.991 459 G CA 0.289 45.395 45.100 0.010 0.000 0.689 459 G HN 0.536 nan 8.290 nan 0.000 0.522 460 E N -0.049 120.152 120.200 0.001 0.000 2.284 460 E HA 0.442 4.792 4.350 0.000 0.000 0.255 460 E C 0.059 176.636 176.600 -0.039 0.000 1.052 460 E CA -0.754 55.634 56.400 -0.019 0.000 0.904 460 E CB 0.639 30.317 29.700 -0.037 0.000 1.217 460 E HN 0.421 nan 8.360 nan 0.000 0.438 461 E N 2.318 122.489 120.200 -0.048 0.000 2.001 461 E HA 0.088 4.438 4.350 0.000 0.000 0.279 461 E C -1.508 175.053 176.600 -0.065 0.000 1.045 461 E CA -1.676 54.700 56.400 -0.040 0.000 0.833 461 E CB 0.912 30.599 29.700 -0.022 0.000 1.077 461 E HN 0.168 nan 8.360 nan 0.000 0.397 462 P HA -0.223 nan 4.420 nan 0.000 0.216 462 P C 1.105 178.375 177.300 -0.049 0.000 1.150 462 P CA 1.289 64.351 63.100 -0.063 0.000 0.837 462 P CB 0.271 31.949 31.700 -0.037 0.000 0.786 463 S N -1.194 114.488 115.700 -0.030 0.000 2.461 463 S HA -0.015 4.456 4.470 0.000 0.000 0.228 463 S C 2.031 176.622 174.600 -0.014 0.000 1.005 463 S CA 0.551 58.740 58.200 -0.018 0.000 0.942 463 S CB -1.419 61.775 63.200 -0.009 0.000 0.776 463 S HN -0.032 nan 8.310 nan 0.000 0.514 464 V N 1.547 121.448 119.914 -0.020 0.000 2.407 464 V HA -0.064 4.056 4.120 0.000 0.000 0.245 464 V C 2.583 178.679 176.094 0.003 0.000 1.041 464 V CA 1.296 63.592 62.300 -0.006 0.000 1.040 464 V CB -0.606 31.216 31.823 -0.001 0.000 0.671 464 V HN 0.430 nan 8.190 nan 0.000 0.455 465 V N 0.486 120.372 119.914 -0.047 0.000 2.358 465 V HA -0.224 3.897 4.120 0.000 0.000 0.246 465 V C 2.739 178.839 176.094 0.010 0.000 1.047 465 V CA 1.895 64.160 62.300 -0.058 0.000 1.035 465 V CB -1.125 30.458 31.823 -0.401 0.000 0.658 465 V HN 0.540 nan 8.190 nan 0.000 0.452 466 A N 0.550 123.361 122.820 -0.015 0.000 1.908 466 A HA -0.324 3.996 4.320 0.000 0.000 0.218 466 A C 2.072 179.678 177.584 0.037 0.000 1.181 466 A CA 2.532 54.578 52.037 0.015 0.000 0.627 466 A CB -0.884 18.118 19.000 0.003 0.000 0.818 466 A HN 0.630 nan 8.150 nan 0.000 0.445 467 N N -0.862 117.853 118.700 0.026 0.000 2.084 467 N HA -0.116 4.624 4.740 0.000 0.000 0.190 467 N C 1.722 177.254 175.510 0.035 0.000 1.030 467 N CA 2.318 55.382 53.050 0.024 0.000 0.849 467 N CB -0.407 38.086 38.487 0.011 0.000 1.012 467 N HN 0.386 nan 8.380 nan 0.000 0.423 468 T N -0.166 114.412 114.554 0.040 0.000 2.643 468 T HA -0.103 4.248 4.350 0.000 0.000 0.264 468 T C 1.960 176.742 174.700 0.137 0.000 1.045 468 T CA 1.600 63.712 62.100 0.021 0.000 1.155 468 T CB -0.574 68.226 68.868 -0.112 0.000 0.863 468 T HN 0.035 nan 8.240 nan 0.000 0.420 469 V N 2.074 122.105 119.914 0.195 0.000 2.282 469 V HA -0.239 3.881 4.120 0.000 0.000 0.249 469 V C 2.503 178.713 176.094 0.193 0.000 1.057 469 V CA 1.625 64.064 62.300 0.232 0.000 1.032 469 V CB -0.617 31.303 31.823 0.161 0.000 0.645 469 V HN 0.499 nan 8.190 nan 0.000 0.447 470 K N 0.535 121.004 120.400 0.114 0.000 2.113 470 K HA -0.157 4.163 4.320 0.000 0.000 0.208 470 K C 2.129 178.773 176.600 0.072 0.000 1.047 470 K CA 1.671 58.006 56.287 0.081 0.000 0.928 470 K CB -0.687 31.842 32.500 0.048 0.000 0.716 470 K HN 0.586 nan 8.250 nan 0.000 0.446 471 G N 1.097 109.934 108.800 0.062 0.000 2.679 471 G HA2 -0.011 3.949 3.960 0.000 0.000 0.212 471 G HA3 -0.011 3.949 3.960 0.000 0.000 0.212 471 G C 0.638 175.529 174.900 -0.015 0.000 1.137 471 G CA 0.432 45.540 45.100 0.014 0.000 0.787 471 G HN 0.335 nan 8.290 nan 0.000 0.534 472 G N -0.953 107.870 108.800 0.038 0.000 2.557 472 G HA2 0.482 4.442 3.960 0.000 0.000 0.302 472 G HA3 0.482 4.442 3.960 0.000 0.000 0.302 472 G C -1.514 173.382 174.900 -0.005 0.000 1.311 472 G CA -0.376 44.667 45.100 -0.095 0.000 1.030 472 G HN 0.060 nan 8.290 nan 0.000 0.509 473 D N -2.111 118.262 120.400 -0.045 0.000 2.433 473 D HA 0.555 5.195 4.640 0.000 0.000 0.236 473 D C 0.905 177.249 176.300 0.074 0.000 1.026 473 D CA 1.037 55.046 54.000 0.016 0.000 0.884 473 D CB 1.633 42.421 40.800 -0.019 0.000 1.384 473 D HN 0.924 nan 8.370 nan 0.000 0.477 474 G N 2.707 111.548 108.800 0.067 0.000 2.596 474 G HA2 -0.324 3.636 3.960 0.000 0.000 0.295 474 G HA3 -0.324 3.636 3.960 0.000 0.000 0.295 474 G C 0.585 175.548 174.900 0.106 0.000 1.240 474 G CA 0.116 45.259 45.100 0.072 0.000 0.985 474 G HN 0.624 nan 8.290 nan 0.000 0.555 475 N N 0.524 119.285 118.700 0.103 0.000 2.421 475 N HA 0.051 4.792 4.740 0.000 0.000 0.201 475 N C 0.457 176.058 175.510 0.151 0.000 1.198 475 N CA 0.360 53.471 53.050 0.103 0.000 0.838 475 N CB -0.007 38.521 38.487 0.069 0.000 1.011 475 N HN 0.491 nan 8.380 nan 0.000 0.463 476 Y N 1.463 121.794 120.300 0.052 0.000 2.620 476 Y HA 0.261 4.811 4.550 0.000 0.000 0.330 476 Y C 0.895 176.864 175.900 0.114 0.000 1.186 476 Y CA 0.414 58.560 58.100 0.077 0.000 1.467 476 Y CB 0.201 38.698 38.460 0.063 0.000 1.262 476 Y HN 0.106 nan 8.280 nan 0.000 0.550 477 G N 3.934 112.504 108.800 -0.385 0.000 2.650 477 G HA2 0.225 4.185 3.960 0.000 0.000 0.310 477 G HA3 0.225 4.185 3.960 0.000 0.000 0.310 477 G C -2.425 172.387 174.900 -0.146 0.000 1.270 477 G CA -0.955 44.007 45.100 -0.230 0.000 0.810 477 G HN 0.546 nan 8.290 nan 0.000 0.493 478 Y N 1.530 121.703 120.300 -0.211 0.000 2.331 478 Y HA 0.608 5.162 4.550 0.007 0.000 0.338 478 Y C -0.088 175.658 175.900 -0.257 0.000 0.992 478 Y CA -1.361 56.514 58.100 -0.374 0.000 1.121 478 Y CB 1.593 39.814 38.460 -0.398 0.000 1.184 478 Y HN 0.422 nan 8.280 nan 0.000 0.469 479 N N 4.808 123.094 118.700 -0.689 0.000 2.521 479 N HA 0.189 4.929 4.740 0.000 0.000 0.236 479 N C 0.345 175.433 175.510 -0.704 0.000 1.067 479 N CA 0.505 53.245 53.050 -0.517 0.000 0.939 479 N CB 1.207 39.485 38.487 -0.347 0.000 1.201 479 N HN 0.885 nan 8.380 nan 0.000 0.511 480 A N 3.748 126.321 122.820 -0.413 0.000 2.015 480 A HA 0.003 4.324 4.320 0.000 0.000 0.219 480 A C 2.083 179.547 177.584 -0.199 0.000 1.163 480 A CA 1.459 53.337 52.037 -0.266 0.000 0.646 480 A CB -0.526 18.474 19.000 -0.001 0.000 0.806 480 A HN 0.706 nan 8.150 nan 0.000 0.448 481 A N -0.033 122.684 122.820 -0.173 0.000 1.865 481 A HA -0.153 4.167 4.320 0.000 0.000 0.217 481 A C 2.375 179.876 177.584 -0.140 0.000 1.191 481 A CA 2.594 54.557 52.037 -0.123 0.000 0.623 481 A CB -1.242 17.701 19.000 -0.096 0.000 0.826 481 A HN 0.820 nan 8.150 nan 0.000 0.444 482 T N -3.362 111.078 114.554 -0.191 0.000 3.081 482 T HA 0.238 4.588 4.350 0.000 0.000 0.250 482 T C 0.251 174.819 174.700 -0.220 0.000 1.100 482 T CA 0.688 62.686 62.100 -0.170 0.000 1.038 482 T CB -0.339 68.440 68.868 -0.150 0.000 0.962 482 T HN 0.578 nan 8.240 nan 0.000 0.516 483 E N 1.378 121.355 120.200 -0.372 0.000 2.228 483 E HA -0.141 4.209 4.350 0.000 0.000 0.213 483 E C -0.724 175.635 176.600 -0.402 0.000 1.282 483 E CA 0.395 56.514 56.400 -0.469 0.000 0.707 483 E CB -0.822 28.811 29.700 -0.112 0.000 1.150 483 E HN 0.609 nan 8.360 nan 0.000 0.362 484 E N -0.427 119.451 120.200 -0.536 0.000 2.367 484 E HA 0.375 4.725 4.350 0.000 0.000 0.273 484 E C -0.675 175.707 176.600 -0.363 0.000 0.903 484 E CA -0.760 55.470 56.400 -0.284 0.000 0.764 484 E CB 1.015 30.637 29.700 -0.129 0.000 1.252 484 E HN 0.071 nan 8.360 nan 0.000 0.446 485 Y N -0.158 120.114 120.300 -0.046 0.000 2.374 485 Y HA 0.647 5.195 4.550 -0.003 0.000 0.322 485 Y C 1.159 177.011 175.900 -0.081 0.000 1.275 485 Y CA 0.430 58.474 58.100 -0.093 0.000 1.307 485 Y CB 1.757 40.202 38.460 -0.025 0.000 1.282 485 Y HN 0.638 nan 8.280 nan 0.000 0.509 486 G N 0.635 109.447 108.800 0.021 0.000 2.313 486 G HA2 0.006 3.966 3.960 0.000 0.000 0.296 486 G HA3 0.006 3.966 3.960 0.000 0.000 0.296 486 G C -2.011 172.929 174.900 0.068 0.000 1.356 486 G CA -1.211 43.937 45.100 0.080 0.000 0.833 486 G HN 0.549 nan 8.290 nan 0.000 0.552 487 N N 0.953 119.714 118.700 0.103 0.000 2.411 487 N HA 0.098 4.838 4.740 0.000 0.000 0.259 487 N C 1.644 177.174 175.510 0.035 0.000 1.103 487 N CA -0.478 52.628 53.050 0.094 0.000 0.954 487 N CB 0.798 39.339 38.487 0.090 0.000 1.085 487 N HN 0.413 nan 8.380 nan 0.000 0.485 488 M N 3.325 122.938 119.600 0.021 0.000 2.213 488 M HA -0.153 4.328 4.480 0.000 0.000 0.263 488 M C 1.519 177.821 176.300 0.002 0.000 1.062 488 M CA 0.965 56.262 55.300 -0.005 0.000 1.105 488 M CB -0.351 32.247 32.600 -0.003 0.000 1.385 488 M HN 0.561 nan 8.290 nan 0.000 0.417 489 I N 0.681 121.261 120.570 0.018 0.000 2.163 489 I HA -0.247 3.923 4.170 0.000 0.000 0.240 489 I C 1.925 178.049 176.117 0.011 0.000 1.081 489 I CA 1.453 62.762 61.300 0.015 0.000 1.353 489 I CB -1.514 36.498 38.000 0.021 0.000 1.054 489 I HN 0.241 nan 8.210 nan 0.000 0.407 490 D N 0.624 121.033 120.400 0.016 0.000 2.182 490 D HA -0.176 4.464 4.640 0.000 0.000 0.201 490 D C 2.143 178.444 176.300 0.002 0.000 0.986 490 D CA 1.164 55.171 54.000 0.012 0.000 0.847 490 D CB -0.203 40.608 40.800 0.019 0.000 0.942 490 D HN 0.353 nan 8.370 nan 0.000 0.467 491 M N -0.427 119.170 119.600 -0.005 0.000 2.659 491 M HA 0.115 4.596 4.480 0.000 0.000 0.243 491 M C 1.061 177.347 176.300 -0.023 0.000 1.111 491 M CA 0.511 55.799 55.300 -0.021 0.000 1.070 491 M CB 0.226 32.802 32.600 -0.040 0.000 1.525 491 M HN 0.025 nan 8.290 nan 0.000 0.517 492 G N 2.204 110.996 108.800 -0.014 0.000 2.249 492 G HA2 -0.256 3.704 3.960 0.000 0.000 0.273 492 G HA3 -0.256 3.704 3.960 0.000 0.000 0.273 492 G C -0.065 174.825 174.900 -0.017 0.000 1.036 492 G CA -0.073 45.020 45.100 -0.013 0.000 0.824 492 G HN 0.538 nan 8.290 nan 0.000 0.504 493 I N 0.645 121.202 120.570 -0.021 0.000 2.337 493 I HA 0.552 4.722 4.170 0.000 0.000 0.285 493 I C 0.156 176.266 176.117 -0.011 0.000 1.041 493 I CA -0.910 60.376 61.300 -0.023 0.000 1.199 493 I CB 0.694 38.669 38.000 -0.041 0.000 1.370 493 I HN 0.219 nan 8.210 nan 0.000 0.470 494 L N 3.830 125.051 121.223 -0.004 0.000 2.469 494 L HA 0.754 5.095 4.340 0.000 0.000 0.256 494 L C -1.407 175.468 176.870 0.007 0.000 1.006 494 L CA -0.783 54.059 54.840 0.004 0.000 0.832 494 L CB 1.568 43.630 42.059 0.006 0.000 1.421 494 L HN 0.122 nan 8.230 nan 0.000 0.410 495 D N -0.143 120.264 120.400 0.012 0.000 2.433 495 D HA 0.545 5.185 4.640 0.000 0.000 0.236 495 D C -2.803 173.507 176.300 0.018 0.000 1.026 495 D CA -1.359 52.651 54.000 0.016 0.000 0.884 495 D CB 2.116 42.927 40.800 0.019 0.000 1.384 495 D HN 0.372 nan 8.370 nan 0.000 0.477 496 P HA 0.091 nan 4.420 nan 0.000 0.271 496 P C 0.835 178.148 177.300 0.021 0.000 1.220 496 P CA -0.034 63.079 63.100 0.021 0.000 0.768 496 P CB 0.508 32.223 31.700 0.024 0.000 0.848 497 T N 2.281 116.847 114.554 0.019 0.000 2.737 497 T HA -0.241 4.110 4.350 0.000 0.000 0.269 497 T C 1.607 176.318 174.700 0.020 0.000 1.040 497 T CA 1.515 63.626 62.100 0.018 0.000 1.142 497 T CB -0.373 68.504 68.868 0.015 0.000 0.861 497 T HN 0.498 nan 8.240 nan 0.000 0.456 498 K N 0.790 121.203 120.400 0.021 0.000 2.103 498 K HA -0.121 4.199 4.320 0.000 0.000 0.207 498 K C 2.379 179.001 176.600 0.037 0.000 1.048 498 K CA 1.485 57.787 56.287 0.025 0.000 0.930 498 K CB -0.315 32.199 32.500 0.023 0.000 0.716 498 K HN 0.357 nan 8.250 nan 0.000 0.444 499 V N -0.497 119.439 119.914 0.037 0.000 2.488 499 V HA -0.124 3.996 4.120 0.000 0.000 0.246 499 V C 1.645 177.767 176.094 0.047 0.000 1.046 499 V CA 2.162 64.490 62.300 0.047 0.000 1.053 499 V CB -0.470 31.379 31.823 0.043 0.000 0.679 499 V HN 0.319 nan 8.190 nan 0.000 0.458 500 T N 0.788 115.363 114.554 0.035 0.000 2.746 500 T HA -0.192 4.159 4.350 0.000 0.000 0.267 500 T C 1.946 176.664 174.700 0.030 0.000 1.039 500 T CA 2.221 64.340 62.100 0.032 0.000 1.142 500 T CB -0.400 68.483 68.868 0.025 0.000 0.866 500 T HN 0.643 nan 8.240 nan 0.000 0.444 501 R N 0.948 121.462 120.500 0.023 0.000 2.073 501 R HA -0.071 4.269 4.340 0.000 0.000 0.234 501 R C 2.529 178.832 176.300 0.007 0.000 1.134 501 R CA 1.752 57.857 56.100 0.008 0.000 0.952 501 R CB -0.361 29.939 30.300 0.000 0.000 0.850 501 R HN 0.232 nan 8.270 nan 0.000 0.433 502 S N 0.601 116.327 115.700 0.042 0.000 2.368 502 S HA -0.093 4.377 4.470 0.000 0.000 0.224 502 S C 2.022 176.727 174.600 0.175 0.000 1.029 502 S CA 1.067 59.327 58.200 0.100 0.000 0.988 502 S CB -0.221 63.096 63.200 0.194 0.000 0.838 502 S HN 0.574 nan 8.310 nan 0.000 0.462 503 A N 1.679 124.578 122.820 0.132 0.000 1.883 503 A HA -0.038 4.283 4.320 0.000 0.000 0.217 503 A C 2.103 179.744 177.584 0.094 0.000 1.186 503 A CA 1.167 53.279 52.037 0.125 0.000 0.624 503 A CB -0.809 18.237 19.000 0.077 0.000 0.822 503 A HN 0.452 nan 8.150 nan 0.000 0.444 504 L N -0.766 120.486 121.223 0.048 0.000 2.046 504 L HA -0.252 4.088 4.340 0.000 0.000 0.208 504 L C 2.747 179.613 176.870 -0.006 0.000 1.077 504 L CA 2.113 56.965 54.840 0.021 0.000 0.747 504 L CB -0.496 41.566 42.059 0.006 0.000 0.896 504 L HN 0.555 nan 8.230 nan 0.000 0.432 505 Q N -1.607 118.156 119.800 -0.062 0.000 2.083 505 Q HA -0.195 4.145 4.340 0.000 0.000 0.198 505 Q C 2.022 177.911 176.000 -0.186 0.000 0.969 505 Q CA 1.435 57.143 55.803 -0.159 0.000 0.838 505 Q CB -0.127 28.449 28.738 -0.270 0.000 0.900 505 Q HN 0.460 nan 8.270 nan 0.000 0.436 506 Y N 0.534 120.837 120.300 0.005 0.000 2.145 506 Y HA -0.206 4.343 4.550 -0.001 0.000 0.286 506 Y C 2.471 178.375 175.900 0.005 0.000 1.145 506 Y CA 1.076 59.178 58.100 0.004 0.000 1.148 506 Y CB -0.804 37.658 38.460 0.004 0.000 0.981 506 Y HN 0.127 nan 8.280 nan 0.000 0.507 507 A N 0.154 123.065 122.820 0.151 0.000 1.917 507 A HA -0.225 4.095 4.320 0.000 0.000 0.219 507 A C 2.421 180.039 177.584 0.056 0.000 1.182 507 A CA 2.263 54.352 52.037 0.087 0.000 0.633 507 A CB -1.294 17.743 19.000 0.062 0.000 0.819 507 A HN 0.422 nan 8.150 nan 0.000 0.448 508 A N -1.229 121.610 122.820 0.032 0.000 2.066 508 A HA 0.047 4.367 4.320 0.000 0.000 0.218 508 A C 2.367 179.960 177.584 0.015 0.000 1.157 508 A CA 1.840 53.885 52.037 0.014 0.000 0.670 508 A CB -0.658 18.339 19.000 -0.005 0.000 0.804 508 A HN 0.576 nan 8.150 nan 0.000 0.453 509 S N -0.030 115.684 115.700 0.023 0.000 2.335 509 S HA -0.137 4.334 4.470 0.000 0.000 0.217 509 S C 2.027 176.655 174.600 0.047 0.000 1.032 509 S CA 1.945 60.163 58.200 0.030 0.000 0.985 509 S CB -0.745 62.485 63.200 0.050 0.000 0.896 509 S HN 0.693 nan 8.310 nan 0.000 0.445 510 V N 1.509 121.463 119.914 0.067 0.000 2.343 510 V HA 0.052 4.172 4.120 0.000 0.000 0.247 510 V C 2.797 178.912 176.094 0.036 0.000 1.051 510 V CA 1.564 63.895 62.300 0.052 0.000 1.036 510 V CB -1.918 29.935 31.823 0.049 0.000 0.654 510 V HN 0.543 nan 8.190 nan 0.000 0.451 511 A N 1.384 124.225 122.820 0.035 0.000 1.986 511 A HA -0.039 4.281 4.320 0.000 0.000 0.220 511 A C 2.330 179.926 177.584 0.020 0.000 1.171 511 A CA 2.138 54.191 52.037 0.026 0.000 0.640 511 A CB -1.292 17.721 19.000 0.023 0.000 0.811 511 A HN 0.649 nan 8.150 nan 0.000 0.451 512 G N -0.539 108.273 108.800 0.019 0.000 2.395 512 G HA2 -0.028 3.933 3.960 0.000 0.000 0.214 512 G HA3 -0.028 3.933 3.960 0.000 0.000 0.214 512 G C 1.526 176.435 174.900 0.016 0.000 1.177 512 G CA 0.744 45.853 45.100 0.015 0.000 0.794 512 G HN 0.410 nan 8.290 nan 0.000 0.532 513 L N -0.128 121.107 121.223 0.020 0.000 2.046 513 L HA -0.045 4.295 4.340 0.000 0.000 0.208 513 L C 2.870 179.752 176.870 0.019 0.000 1.077 513 L CA 1.451 56.303 54.840 0.020 0.000 0.747 513 L CB -0.283 41.791 42.059 0.024 0.000 0.896 513 L HN 0.303 nan 8.230 nan 0.000 0.432 514 M N -0.168 119.444 119.600 0.020 0.000 2.156 514 M HA -0.178 4.303 4.480 0.000 0.000 0.264 514 M C 2.194 178.503 176.300 0.016 0.000 1.067 514 M CA 1.703 57.014 55.300 0.019 0.000 1.131 514 M CB -0.014 32.599 32.600 0.021 0.000 1.368 514 M HN 0.090 nan 8.290 nan 0.000 0.416 515 I N 0.278 120.857 120.570 0.015 0.000 2.530 515 I HA -0.228 3.943 4.170 0.000 0.000 0.257 515 I C 1.118 177.243 176.117 0.014 0.000 1.179 515 I CA 1.553 62.861 61.300 0.013 0.000 1.440 515 I CB -0.321 37.686 38.000 0.012 0.000 1.087 515 I HN 0.468 nan 8.210 nan 0.000 0.440 516 T N -3.597 110.966 114.554 0.015 0.000 3.269 516 T HA 0.211 4.561 4.350 0.000 0.000 0.269 516 T C 0.382 175.093 174.700 0.018 0.000 0.993 516 T CA -0.348 61.762 62.100 0.016 0.000 0.909 516 T CB -0.207 68.670 68.868 0.015 0.000 1.115 516 T HN -0.105 nan 8.240 nan 0.000 0.543 517 T N 2.045 116.609 114.554 0.017 0.000 2.795 517 T HA 0.343 4.693 4.350 0.000 0.000 0.282 517 T C 0.556 175.267 174.700 0.019 0.000 0.980 517 T CA -0.529 61.580 62.100 0.015 0.000 1.012 517 T CB 1.650 70.524 68.868 0.010 0.000 0.936 517 T HN 0.085 nan 8.240 nan 0.000 0.457 518 E N 0.697 120.914 120.200 0.029 0.000 2.473 518 E HA 0.166 4.517 4.350 0.000 0.000 0.204 518 E C 0.087 176.705 176.600 0.029 0.000 0.994 518 E CA 0.145 56.581 56.400 0.060 0.000 0.945 518 E CB 0.643 30.408 29.700 0.108 0.000 0.990 518 E HN 0.525 nan 8.360 nan 0.000 0.493 519 C N 0.657 119.922 119.300 -0.057 0.000 2.782 519 C HA 0.637 5.097 4.460 0.000 0.000 0.328 519 C C -1.185 173.708 174.990 -0.163 0.000 1.145 519 C CA -0.623 58.254 59.018 -0.235 0.000 1.358 519 C CB 0.365 27.962 27.740 -0.239 0.000 1.841 519 C HN 0.113 nan 8.230 nan 0.000 0.477 520 M N 5.369 124.856 119.600 -0.188 0.000 2.326 520 M HA 0.570 5.050 4.480 0.000 0.000 0.306 520 M C -1.044 175.311 176.300 0.092 0.000 1.054 520 M CA -0.527 54.781 55.300 0.014 0.000 0.922 520 M CB 2.054 34.740 32.600 0.144 0.000 1.632 520 M HN 0.417 nan 8.290 nan 0.000 0.436 521 V N 1.778 121.731 119.914 0.064 0.000 2.495 521 V HA 0.783 4.903 4.120 0.000 0.000 0.298 521 V C -0.182 175.892 176.094 -0.033 0.000 1.031 521 V CA -0.351 61.969 62.300 0.034 0.000 0.871 521 V CB 1.916 33.734 31.823 -0.009 0.000 0.988 521 V HN 0.960 nan 8.190 nan 0.000 0.432 522 T N 1.889 116.380 114.554 -0.104 0.000 2.711 522 T HA 0.367 4.717 4.350 0.000 0.000 0.302 522 T C -1.717 172.884 174.700 -0.166 0.000 1.373 522 T CA -0.545 61.433 62.100 -0.203 0.000 1.000 522 T CB 1.962 70.561 68.868 -0.448 0.000 1.483 522 T HN 0.614 nan 8.240 nan 0.000 0.499 523 D N 1.531 121.836 120.400 -0.157 0.000 2.313 523 D HA 0.368 5.008 4.640 0.000 0.000 0.247 523 D C 0.094 176.329 176.300 -0.107 0.000 1.094 523 D CA -0.137 53.802 54.000 -0.102 0.000 0.925 523 D CB 0.664 41.417 40.800 -0.079 0.000 1.188 523 D HN 0.407 nan 8.370 nan 0.000 0.430 524 L N 3.382 124.571 121.223 -0.057 0.000 2.455 524 L HA 0.137 4.477 4.340 0.000 0.000 0.272 524 L C -1.262 175.582 176.870 -0.042 0.000 1.174 524 L CA -1.302 53.517 54.840 -0.036 0.000 0.869 524 L CB 0.147 42.201 42.059 -0.008 0.000 1.130 524 L HN 0.282 nan 8.230 nan 0.000 0.474 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.080 63.100 -0.033 0.000 0.800 525 P CB 0.000 31.688 31.700 -0.020 0.000 0.726