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 1xck_1_J DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL 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 0.000 177.580 177.584 -0.006 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 2 A CB 0.000 18.991 19.000 -0.014 0.000 0.831 3 A N 1.761 124.580 122.820 -0.002 0.000 2.546 3 A HA 0.496 4.815 4.320 -0.001 0.000 0.243 3 A C 0.352 177.936 177.584 -0.001 0.000 1.063 3 A CA 0.482 52.521 52.037 0.004 0.000 0.757 3 A CB -0.189 18.816 19.000 0.008 0.000 0.991 3 A HN 0.606 nan 8.150 nan 0.000 0.503 4 K N 1.276 121.680 120.400 0.006 0.000 2.168 4 K HA 0.447 4.767 4.320 -0.001 0.000 0.239 4 K C -0.973 175.642 176.600 0.025 0.000 0.999 4 K CA -0.670 55.616 56.287 -0.001 0.000 0.900 4 K CB 1.156 33.655 32.500 -0.002 0.000 1.111 4 K HN 0.715 nan 8.250 nan 0.000 0.452 5 D N 0.956 121.377 120.400 0.035 0.000 2.471 5 D HA 0.271 4.910 4.640 -0.001 0.000 0.245 5 D C -1.334 175.096 176.300 0.217 0.000 1.116 5 D CA -0.559 53.518 54.000 0.127 0.000 0.853 5 D CB 1.037 41.928 40.800 0.151 0.000 1.123 5 D HN 0.037 nan 8.370 nan 0.000 0.540 6 V N 4.748 124.742 119.914 0.133 0.000 2.370 6 V HA 0.421 4.541 4.120 -0.001 0.000 0.283 6 V C 0.402 176.405 176.094 -0.152 0.000 1.023 6 V CA -0.660 61.635 62.300 -0.008 0.000 0.857 6 V CB 1.488 33.250 31.823 -0.102 0.000 0.985 6 V HN 0.346 nan 8.190 nan 0.000 0.443 7 K N 3.760 123.969 120.400 -0.318 0.000 2.259 7 K HA 0.724 5.043 4.320 -0.001 0.000 0.249 7 K C -1.408 174.852 176.600 -0.567 0.000 0.942 7 K CA -0.486 55.534 56.287 -0.444 0.000 0.816 7 K CB 2.261 34.291 32.500 -0.783 0.000 1.155 7 K HN 0.425 nan 8.250 nan 0.000 0.428 8 F N -0.408 119.480 119.950 -0.103 0.000 2.618 8 F HA 0.357 4.884 4.527 -0.000 0.000 0.332 8 F C 1.457 177.218 175.800 -0.065 0.000 1.061 8 F CA 0.046 58.010 58.000 -0.059 0.000 0.974 8 F CB 1.171 40.149 39.000 -0.037 0.000 1.310 8 F HN 0.817 nan 8.300 nan 0.000 0.491 9 G N 1.340 110.257 108.800 0.195 0.000 2.667 9 G HA2 -0.464 3.496 3.960 -0.001 0.000 0.379 9 G HA3 -0.464 3.496 3.960 -0.001 0.000 0.379 9 G C 1.378 176.296 174.900 0.029 0.000 1.236 9 G CA 1.162 46.316 45.100 0.090 0.000 0.946 9 G HN 0.739 nan 8.290 nan 0.000 0.573 10 N N 0.547 119.258 118.700 0.019 0.000 2.149 10 N HA -0.159 4.581 4.740 -0.001 0.000 0.188 10 N C 1.904 177.398 175.510 -0.028 0.000 1.019 10 N CA 1.999 55.047 53.050 -0.003 0.000 0.857 10 N CB -0.341 38.145 38.487 -0.002 0.000 0.997 10 N HN 0.553 nan 8.380 nan 0.000 0.426 11 D N 0.478 120.856 120.400 -0.037 0.000 2.104 11 D HA -0.083 4.557 4.640 -0.001 0.000 0.194 11 D C 1.774 177.983 176.300 -0.152 0.000 0.994 11 D CA 1.421 55.370 54.000 -0.086 0.000 0.830 11 D CB -0.257 40.490 40.800 -0.087 0.000 0.959 11 D HN 0.324 nan 8.370 nan 0.000 0.452 12 A N 0.465 123.190 122.820 -0.159 0.000 1.877 12 A HA -0.141 4.179 4.320 -0.001 0.000 0.216 12 A C 2.353 179.883 177.584 -0.090 0.000 1.186 12 A CA 1.426 53.345 52.037 -0.197 0.000 0.620 12 A CB -0.495 18.412 19.000 -0.155 0.000 0.822 12 A HN 0.208 nan 8.150 nan 0.000 0.443 13 R N -0.350 120.122 120.500 -0.047 0.000 2.096 13 R HA -0.113 4.226 4.340 -0.001 0.000 0.235 13 R C 2.151 178.441 176.300 -0.015 0.000 1.127 13 R CA 1.592 57.681 56.100 -0.018 0.000 0.968 13 R CB -0.631 29.665 30.300 -0.007 0.000 0.861 13 R HN 0.606 nan 8.270 nan 0.000 0.440 14 V N -0.656 119.242 119.914 -0.027 0.000 2.427 14 V HA -0.153 3.966 4.120 -0.001 0.000 0.248 14 V C 1.950 178.038 176.094 -0.011 0.000 1.051 14 V CA 1.348 63.637 62.300 -0.017 0.000 1.048 14 V CB -0.380 31.430 31.823 -0.022 0.000 0.666 14 V HN 0.061 nan 8.190 nan 0.000 0.456 15 K N 0.230 120.616 120.400 -0.024 0.000 2.009 15 K HA -0.063 4.257 4.320 -0.001 0.000 0.210 15 K C 2.267 178.894 176.600 0.044 0.000 1.049 15 K CA 2.240 58.534 56.287 0.012 0.000 0.929 15 K CB -0.607 31.893 32.500 -0.001 0.000 0.714 15 K HN 0.524 nan 8.250 nan 0.000 0.440 16 M N 0.329 119.953 119.600 0.040 0.000 2.080 16 M HA -0.206 4.273 4.480 -0.001 0.000 0.260 16 M C 2.262 178.579 176.300 0.028 0.000 1.068 16 M CA 1.205 56.531 55.300 0.044 0.000 1.109 16 M CB -0.411 32.211 32.600 0.037 0.000 1.342 16 M HN 0.046 nan 8.290 nan 0.000 0.405 17 L N 0.778 122.012 121.223 0.018 0.000 1.989 17 L HA -0.223 4.117 4.340 -0.001 0.000 0.211 17 L C 2.504 179.383 176.870 0.014 0.000 1.071 17 L CA 2.035 56.883 54.840 0.013 0.000 0.749 17 L CB -0.861 41.203 42.059 0.008 0.000 0.890 17 L HN 0.181 nan 8.230 nan 0.000 0.431 18 R N 0.076 120.585 120.500 0.015 0.000 2.133 18 R HA -0.126 4.213 4.340 -0.001 0.000 0.247 18 R C 2.096 178.407 176.300 0.018 0.000 1.151 18 R CA 1.916 58.026 56.100 0.015 0.000 0.971 18 R CB -1.465 28.845 30.300 0.017 0.000 0.866 18 R HN 0.512 nan 8.270 nan 0.000 0.447 19 G N -0.363 108.452 108.800 0.025 0.000 2.394 19 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.214 19 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.214 19 G C 1.427 176.336 174.900 0.015 0.000 1.176 19 G CA 0.888 46.002 45.100 0.023 0.000 0.786 19 G HN 0.382 nan 8.290 nan 0.000 0.533 20 V N -0.280 119.643 119.914 0.015 0.000 2.809 20 V HA -0.056 4.063 4.120 -0.001 0.000 0.256 20 V C 2.091 178.190 176.094 0.008 0.000 1.080 20 V CA 1.929 64.236 62.300 0.011 0.000 1.102 20 V CB -0.493 31.337 31.823 0.012 0.000 0.705 20 V HN 0.183 nan 8.190 nan 0.000 0.475 21 N N 1.083 119.789 118.700 0.009 0.000 2.142 21 N HA -0.082 4.658 4.740 -0.001 0.000 0.186 21 N C 1.850 177.363 175.510 0.005 0.000 1.023 21 N CA 1.827 54.881 53.050 0.007 0.000 0.852 21 N CB -0.400 38.091 38.487 0.007 0.000 0.998 21 N HN 0.508 nan 8.380 nan 0.000 0.424 22 V N 1.868 121.785 119.914 0.005 0.000 2.287 22 V HA -0.206 3.913 4.120 -0.001 0.000 0.248 22 V C 2.454 178.549 176.094 0.000 0.000 1.053 22 V CA 1.207 63.509 62.300 0.003 0.000 1.027 22 V CB -0.628 31.197 31.823 0.003 0.000 0.646 22 V HN 0.197 nan 8.190 nan 0.000 0.447 23 L N 0.982 122.205 121.223 0.000 0.000 1.976 23 L HA -0.109 4.231 4.340 -0.001 0.000 0.209 23 L C 2.465 179.334 176.870 -0.002 0.000 1.071 23 L CA 2.575 57.414 54.840 -0.002 0.000 0.746 23 L CB -1.075 40.982 42.059 -0.003 0.000 0.890 23 L HN 0.204 nan 8.230 nan 0.000 0.432 24 A N -0.646 122.175 122.820 0.001 0.000 1.883 24 A HA -0.235 4.085 4.320 -0.001 0.000 0.217 24 A C 2.008 179.593 177.584 0.002 0.000 1.186 24 A CA 1.972 54.010 52.037 0.002 0.000 0.624 24 A CB -1.038 17.964 19.000 0.005 0.000 0.822 24 A HN 0.602 nan 8.150 nan 0.000 0.444 25 D N 0.062 120.463 120.400 0.002 0.000 2.178 25 D HA -0.054 4.586 4.640 -0.001 0.000 0.201 25 D C 2.119 178.419 176.300 -0.000 0.000 0.980 25 D CA 1.452 55.453 54.000 0.001 0.000 0.842 25 D CB -0.376 40.425 40.800 0.002 0.000 0.948 25 D HN 0.461 nan 8.370 nan 0.000 0.472 26 A N 0.394 123.213 122.820 -0.001 0.000 1.929 26 A HA -0.055 4.265 4.320 -0.001 0.000 0.216 26 A C 2.478 180.060 177.584 -0.003 0.000 1.176 26 A CA 0.763 52.798 52.037 -0.003 0.000 0.628 26 A CB -0.406 18.591 19.000 -0.005 0.000 0.816 26 A HN 0.139 nan 8.150 nan 0.000 0.444 27 V N 1.091 121.003 119.914 -0.003 0.000 2.446 27 V HA -0.196 3.923 4.120 -0.001 0.000 0.244 27 V C 2.468 178.561 176.094 -0.001 0.000 1.039 27 V CA 2.069 64.367 62.300 -0.003 0.000 1.045 27 V CB -0.529 31.292 31.823 -0.004 0.000 0.681 27 V HN 0.832 nan 8.190 nan 0.000 0.459 28 K N 1.402 121.802 120.400 0.000 0.000 2.442 28 K HA -0.095 4.225 4.320 -0.001 0.000 0.198 28 K C 1.770 178.371 176.600 0.002 0.000 1.042 28 K CA 1.628 57.916 56.287 0.002 0.000 0.958 28 K CB -0.643 31.859 32.500 0.003 0.000 0.766 28 K HN 0.481 nan 8.250 nan 0.000 0.474 29 V N -0.119 119.796 119.914 0.001 0.000 2.759 29 V HA -0.148 3.971 4.120 -0.001 0.000 0.256 29 V C 2.075 178.169 176.094 0.001 0.000 1.080 29 V CA 1.785 64.086 62.300 0.001 0.000 1.101 29 V CB -1.090 30.733 31.823 0.000 0.000 0.698 29 V HN 0.547 nan 8.190 nan 0.000 0.477 30 T N -3.280 111.274 114.554 0.000 0.000 3.122 30 T HA 0.193 4.543 4.350 -0.001 0.000 0.250 30 T C 1.457 176.157 174.700 -0.000 0.000 1.067 30 T CA 0.502 62.601 62.100 -0.000 0.000 0.966 30 T CB 0.311 69.178 68.868 -0.002 0.000 1.002 30 T HN 0.317 nan 8.240 nan 0.000 0.542 31 L N 2.790 124.014 121.223 0.002 0.000 1.956 31 L HA 0.249 4.588 4.340 -0.001 0.000 0.216 31 L C 1.693 178.564 176.870 0.002 0.000 1.073 31 L CA 1.900 56.742 54.840 0.002 0.000 0.762 31 L CB -1.318 40.744 42.059 0.005 0.000 0.889 31 L HN 0.447 nan 8.230 nan 0.000 0.433 32 G N -1.512 107.290 108.800 0.003 0.000 2.611 32 G HA2 0.194 4.153 3.960 -0.001 0.000 0.273 32 G HA3 0.194 4.153 3.960 -0.001 0.000 0.273 32 G C -1.793 173.103 174.900 -0.007 0.000 1.305 32 G CA 0.139 45.239 45.100 0.001 0.000 1.010 32 G HN 0.377 nan 8.290 nan 0.000 0.509 33 P HA 0.047 nan 4.420 nan 0.000 0.229 33 P C 0.699 177.989 177.300 -0.016 0.000 1.160 33 P CA 0.802 63.889 63.100 -0.022 0.000 0.777 33 P CB 0.393 32.070 31.700 -0.039 0.000 0.814 34 K N 0.595 120.990 120.400 -0.009 0.000 2.570 34 K HA 0.250 4.569 4.320 -0.001 0.000 0.210 34 K C 1.032 177.632 176.600 -0.000 0.000 1.048 34 K CA -0.219 56.066 56.287 -0.004 0.000 1.167 34 K CB 0.039 32.540 32.500 0.003 0.000 0.892 34 K HN 0.058 nan 8.250 nan 0.000 0.480 35 G N 1.511 110.310 108.800 -0.002 0.000 2.491 35 G HA2 0.046 4.006 3.960 -0.001 0.000 0.238 35 G HA3 0.046 4.006 3.960 -0.001 0.000 0.238 35 G C 0.251 175.151 174.900 -0.001 0.000 1.277 35 G CA -0.359 44.741 45.100 -0.000 0.000 0.851 35 G HN 0.090 nan 8.290 nan 0.000 0.573 36 R N 0.814 121.314 120.500 0.000 0.000 2.541 36 R HA 0.228 4.567 4.340 -0.001 0.000 0.263 36 R C -0.000 176.299 176.300 -0.001 0.000 1.112 36 R CA -0.731 55.369 56.100 -0.000 0.000 1.170 36 R CB 0.261 30.561 30.300 0.001 0.000 1.167 36 R HN 0.639 nan 8.270 nan 0.000 0.582 37 N N -0.961 117.738 118.700 -0.001 0.000 2.509 37 N HA 0.352 5.092 4.740 -0.001 0.000 0.287 37 N C -1.038 174.471 175.510 -0.002 0.000 1.121 37 N CA -0.498 52.551 53.050 -0.001 0.000 0.977 37 N CB 1.528 40.015 38.487 -0.001 0.000 1.167 37 N HN 0.083 nan 8.380 nan 0.000 0.476 38 V N 1.842 121.754 119.914 -0.002 0.000 2.540 38 V HA 0.364 4.484 4.120 -0.001 0.000 0.302 38 V C -0.423 175.669 176.094 -0.004 0.000 1.035 38 V CA -0.825 61.473 62.300 -0.003 0.000 0.873 38 V CB 1.805 33.625 31.823 -0.004 0.000 0.992 38 V HN 0.327 nan 8.190 nan 0.000 0.428 39 V N 6.210 126.121 119.914 -0.004 0.000 2.350 39 V HA 0.434 4.553 4.120 -0.001 0.000 0.276 39 V C -0.160 175.930 176.094 -0.006 0.000 1.028 39 V CA -0.403 61.895 62.300 -0.004 0.000 0.860 39 V CB 1.266 33.087 31.823 -0.003 0.000 0.990 39 V HN 0.622 nan 8.190 nan 0.000 0.453 40 L N 3.964 125.183 121.223 -0.007 0.000 2.262 40 L HA 0.482 4.822 4.340 -0.001 0.000 0.288 40 L C -0.004 176.860 176.870 -0.010 0.000 1.035 40 L CA -0.485 54.349 54.840 -0.010 0.000 0.820 40 L CB 1.329 43.383 42.059 -0.010 0.000 1.204 40 L HN 0.547 nan 8.230 nan 0.000 0.424 41 D N 3.406 123.796 120.400 -0.015 0.000 2.372 41 D HA 0.208 4.848 4.640 -0.001 0.000 0.243 41 D C -0.596 175.689 176.300 -0.026 0.000 1.121 41 D CA 0.262 54.250 54.000 -0.019 0.000 0.898 41 D CB 0.873 41.658 40.800 -0.026 0.000 1.202 41 D HN 0.337 nan 8.370 nan 0.000 0.428 42 K N 1.145 121.530 120.400 -0.025 0.000 2.426 42 K HA 0.205 4.525 4.320 -0.001 0.000 0.254 42 K C 1.068 177.623 176.600 -0.074 0.000 0.936 42 K CA -0.548 55.720 56.287 -0.032 0.000 0.801 42 K CB 1.758 34.264 32.500 0.010 0.000 1.139 42 K HN 0.421 nan 8.250 nan 0.000 0.424 43 S N 2.061 117.659 115.700 -0.171 0.000 2.400 43 S HA -0.174 4.296 4.470 -0.001 0.000 0.234 43 S C 0.484 174.852 174.600 -0.388 0.000 1.049 43 S CA 1.155 59.139 58.200 -0.360 0.000 1.039 43 S CB -0.365 62.475 63.200 -0.600 0.000 0.856 43 S HN 0.400 nan 8.310 nan 0.000 0.465 44 F N 2.563 122.511 119.950 -0.003 0.000 2.402 44 F HA 0.691 5.214 4.527 -0.006 0.000 0.355 44 F C 1.149 176.947 175.800 -0.003 0.000 1.123 44 F CA -0.161 57.837 58.000 -0.003 0.000 1.021 44 F CB 1.150 40.149 39.000 -0.003 0.000 1.160 44 F HN 0.535 nan 8.300 nan 0.000 0.451 45 G N 1.513 110.431 108.800 0.197 0.000 2.512 45 G HA2 0.263 4.223 3.960 -0.001 0.000 0.210 45 G HA3 0.263 4.223 3.960 -0.001 0.000 0.210 45 G C -0.883 174.054 174.900 0.062 0.000 1.295 45 G CA -0.588 44.576 45.100 0.107 0.000 0.934 45 G HN 1.013 nan 8.290 nan 0.000 0.554 46 A N 0.795 123.641 122.820 0.044 0.000 2.322 46 A HA 0.809 5.129 4.320 -0.001 0.000 0.269 46 A C -1.496 176.101 177.584 0.022 0.000 1.094 46 A CA -0.340 51.713 52.037 0.027 0.000 0.807 46 A CB 0.020 19.032 19.000 0.021 0.000 1.047 46 A HN 0.705 nan 8.150 nan 0.000 0.487 47 P HA 0.241 nan 4.420 nan 0.000 0.271 47 P C -0.297 177.007 177.300 0.007 0.000 1.233 47 P CA 0.062 63.166 63.100 0.006 0.000 0.789 47 P CB 0.394 32.095 31.700 0.001 0.000 0.951 48 T N 1.753 116.309 114.554 0.004 0.000 2.799 48 T HA 0.477 4.826 4.350 -0.001 0.000 0.286 48 T C 0.206 174.907 174.700 0.001 0.000 0.973 48 T CA -0.240 61.862 62.100 0.004 0.000 1.035 48 T CB -0.018 68.852 68.868 0.003 0.000 0.932 48 T HN 0.165 nan 8.240 nan 0.000 0.469 49 I N 2.920 123.491 120.570 0.002 0.000 2.339 49 I HA 0.497 4.666 4.170 -0.001 0.000 0.290 49 I C 0.495 176.612 176.117 -0.000 0.000 0.994 49 I CA -0.458 60.842 61.300 0.000 0.000 1.191 49 I CB 1.680 39.681 38.000 0.001 0.000 1.343 49 I HN 0.513 nan 8.210 nan 0.000 0.458 50 T N 4.451 119.004 114.554 -0.001 0.000 2.864 50 T HA 0.413 4.763 4.350 -0.001 0.000 0.299 50 T C -0.089 174.610 174.700 -0.002 0.000 1.166 50 T CA -0.567 61.532 62.100 -0.002 0.000 1.007 50 T CB 1.848 70.714 68.868 -0.002 0.000 1.219 50 T HN 0.673 nan 8.240 nan 0.000 0.506 51 K N 0.996 121.395 120.400 -0.002 0.000 2.469 51 K HA 0.197 4.517 4.320 -0.001 0.000 0.204 51 K C -0.753 175.845 176.600 -0.003 0.000 1.047 51 K CA -0.229 56.056 56.287 -0.002 0.000 1.072 51 K CB 0.575 33.074 32.500 -0.003 0.000 0.863 51 K HN 0.480 nan 8.250 nan 0.000 0.530 52 D N 0.270 120.668 120.400 -0.003 0.000 2.380 52 D HA 0.102 4.742 4.640 -0.001 0.000 0.230 52 D C 1.233 177.530 176.300 -0.005 0.000 1.154 52 D CA -0.122 53.877 54.000 -0.003 0.000 0.859 52 D CB 1.181 41.980 40.800 -0.002 0.000 1.045 52 D HN 0.195 nan 8.370 nan 0.000 0.495 53 G N 2.448 111.244 108.800 -0.005 0.000 2.462 53 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.220 53 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.220 53 G C 1.417 176.311 174.900 -0.011 0.000 1.121 53 G CA 0.714 45.809 45.100 -0.007 0.000 0.758 53 G HN 0.487 nan 8.290 nan 0.000 0.559 54 V N 0.742 120.648 119.914 -0.012 0.000 2.379 54 V HA -0.135 3.985 4.120 -0.001 0.000 0.245 54 V C 3.023 179.107 176.094 -0.017 0.000 1.044 54 V CA 2.015 64.304 62.300 -0.017 0.000 1.036 54 V CB -0.385 31.428 31.823 -0.018 0.000 0.664 54 V HN 0.349 nan 8.190 nan 0.000 0.453 55 S N 0.145 115.837 115.700 -0.013 0.000 2.356 55 S HA -0.166 4.304 4.470 -0.001 0.000 0.223 55 S C 2.051 176.643 174.600 -0.014 0.000 1.032 55 S CA 1.552 59.744 58.200 -0.013 0.000 1.005 55 S CB -0.225 62.970 63.200 -0.009 0.000 0.867 55 S HN 0.379 nan 8.310 nan 0.000 0.449 56 V N 2.119 122.025 119.914 -0.012 0.000 2.261 56 V HA -0.212 3.907 4.120 -0.001 0.000 0.246 56 V C 2.687 178.772 176.094 -0.015 0.000 1.047 56 V CA 1.751 64.043 62.300 -0.012 0.000 1.015 56 V CB -1.297 30.521 31.823 -0.009 0.000 0.642 56 V HN 0.542 nan 8.190 nan 0.000 0.446 57 A N -0.328 122.483 122.820 -0.016 0.000 1.908 57 A HA -0.292 4.028 4.320 -0.001 0.000 0.218 57 A C 2.411 179.982 177.584 -0.023 0.000 1.181 57 A CA 2.136 54.161 52.037 -0.019 0.000 0.627 57 A CB -0.663 18.324 19.000 -0.021 0.000 0.818 57 A HN 0.454 nan 8.150 nan 0.000 0.445 58 R N -0.570 119.916 120.500 -0.025 0.000 2.117 58 R HA -0.159 4.180 4.340 -0.001 0.000 0.243 58 R C 1.544 177.827 176.300 -0.028 0.000 1.143 58 R CA 1.627 57.710 56.100 -0.029 0.000 0.968 58 R CB -0.134 30.148 30.300 -0.029 0.000 0.863 58 R HN 0.502 nan 8.270 nan 0.000 0.444 59 E N 0.152 120.337 120.200 -0.024 0.000 2.358 59 E HA -0.025 4.324 4.350 -0.001 0.000 0.195 59 E C 0.389 176.976 176.600 -0.022 0.000 1.010 59 E CA 0.217 56.603 56.400 -0.023 0.000 0.856 59 E CB 0.130 29.818 29.700 -0.020 0.000 0.795 59 E HN 0.221 nan 8.360 nan 0.000 0.504 60 I N 2.077 122.635 120.570 -0.020 0.000 2.517 60 I HA 0.095 4.265 4.170 -0.001 0.000 0.285 60 I C 0.395 176.500 176.117 -0.020 0.000 1.106 60 I CA 0.350 61.640 61.300 -0.018 0.000 1.402 60 I CB -0.046 37.945 38.000 -0.014 0.000 1.399 60 I HN -0.043 nan 8.210 nan 0.000 0.535 61 E N 7.066 127.254 120.200 -0.019 0.000 2.307 61 E HA 0.440 4.789 4.350 -0.001 0.000 0.280 61 E C -1.662 174.927 176.600 -0.018 0.000 0.900 61 E CA -0.566 55.821 56.400 -0.021 0.000 0.790 61 E CB 1.799 31.484 29.700 -0.025 0.000 1.261 61 E HN 0.442 nan 8.360 nan 0.000 0.405 62 L N 3.378 124.591 121.223 -0.016 0.000 2.360 62 L HA 0.378 4.717 4.340 -0.001 0.000 0.271 62 L C 1.550 178.411 176.870 -0.016 0.000 1.057 62 L CA -0.411 54.423 54.840 -0.011 0.000 0.803 62 L CB 1.368 43.426 42.059 -0.001 0.000 1.207 62 L HN 0.742 nan 8.230 nan 0.000 0.445 63 E N 0.866 121.059 120.200 -0.011 0.000 2.072 63 E HA -0.173 4.177 4.350 -0.001 0.000 0.191 63 E C 0.548 177.140 176.600 -0.013 0.000 0.985 63 E CA 0.508 56.900 56.400 -0.014 0.000 0.801 63 E CB 0.262 29.957 29.700 -0.008 0.000 0.750 63 E HN 0.672 nan 8.360 nan 0.000 0.452 64 D N 0.722 121.125 120.400 0.005 0.000 2.382 64 D HA -0.064 4.575 4.640 -0.001 0.000 0.259 64 D C 0.669 176.964 176.300 -0.008 0.000 1.224 64 D CA 0.013 54.028 54.000 0.025 0.000 0.894 64 D CB 0.896 41.736 40.800 0.067 0.000 1.127 64 D HN 0.059 nan 8.370 nan 0.000 0.487 65 K N 3.631 123.980 120.400 -0.085 0.000 2.074 65 K HA -0.188 4.131 4.320 -0.001 0.000 0.209 65 K C 1.889 178.340 176.600 -0.249 0.000 1.048 65 K CA 1.257 57.412 56.287 -0.220 0.000 0.926 65 K CB -0.366 31.907 32.500 -0.379 0.000 0.713 65 K HN 0.488 nan 8.250 nan 0.000 0.444 66 F N 1.726 121.662 119.950 -0.024 0.000 2.128 66 F HA -0.070 4.457 4.527 0.000 0.000 0.295 66 F C 2.483 178.270 175.800 -0.021 0.000 1.100 66 F CA 1.107 59.091 58.000 -0.027 0.000 1.260 66 F CB -0.542 38.441 39.000 -0.029 0.000 1.009 66 F HN 0.102 nan 8.300 nan 0.000 0.476 67 E N -0.033 120.269 120.200 0.170 0.000 2.085 67 E HA -0.274 4.076 4.350 -0.001 0.000 0.194 67 E C 1.872 178.498 176.600 0.045 0.000 0.994 67 E CA 1.401 57.854 56.400 0.088 0.000 0.801 67 E CB -0.357 29.381 29.700 0.064 0.000 0.743 67 E HN 0.319 nan 8.360 nan 0.000 0.453 68 N N 0.500 119.211 118.700 0.018 0.000 2.120 68 N HA -0.158 4.581 4.740 -0.001 0.000 0.188 68 N C 1.738 177.241 175.510 -0.011 0.000 1.024 68 N CA 1.296 54.341 53.050 -0.009 0.000 0.852 68 N CB 0.011 38.477 38.487 -0.034 0.000 1.003 68 N HN 0.074 nan 8.380 nan 0.000 0.424 69 M N -0.749 118.844 119.600 -0.012 0.000 2.159 69 M HA -0.037 4.442 4.480 -0.001 0.000 0.263 69 M C 2.173 178.481 176.300 0.013 0.000 1.063 69 M CA 1.613 56.908 55.300 -0.008 0.000 1.110 69 M CB -0.524 32.073 32.600 -0.005 0.000 1.374 69 M HN 0.318 nan 8.290 nan 0.000 0.411 70 G N 0.044 108.863 108.800 0.032 0.000 2.433 70 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.216 70 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.216 70 G C 1.644 176.552 174.900 0.015 0.000 1.186 70 G CA 1.016 46.134 45.100 0.029 0.000 0.779 70 G HN 0.535 nan 8.290 nan 0.000 0.543 71 A N 0.014 122.840 122.820 0.010 0.000 1.883 71 A HA -0.099 4.220 4.320 -0.001 0.000 0.217 71 A C 2.415 179.995 177.584 -0.005 0.000 1.186 71 A CA 2.089 54.127 52.037 0.002 0.000 0.624 71 A CB -0.424 18.575 19.000 -0.001 0.000 0.822 71 A HN 0.318 nan 8.150 nan 0.000 0.444 72 Q N -0.661 119.134 119.800 -0.009 0.000 2.124 72 Q HA -0.130 4.209 4.340 -0.001 0.000 0.202 72 Q C 2.145 178.138 176.000 -0.013 0.000 0.977 72 Q CA 1.551 57.344 55.803 -0.016 0.000 0.850 72 Q CB -0.543 28.183 28.738 -0.021 0.000 0.901 72 Q HN 0.785 nan 8.270 nan 0.000 0.429 73 M N -0.196 119.401 119.600 -0.005 0.000 2.067 73 M HA -0.153 4.326 4.480 -0.001 0.000 0.260 73 M C 2.300 178.599 176.300 -0.001 0.000 1.069 73 M CA 1.672 56.972 55.300 -0.000 0.000 1.117 73 M CB -0.467 32.139 32.600 0.009 0.000 1.334 73 M HN 0.191 nan 8.290 nan 0.000 0.407 74 V N -0.548 119.367 119.914 0.002 0.000 2.548 74 V HA -0.211 3.908 4.120 -0.001 0.000 0.249 74 V C 2.041 178.127 176.094 -0.013 0.000 1.055 74 V CA 1.938 64.239 62.300 0.003 0.000 1.065 74 V CB -0.618 31.210 31.823 0.009 0.000 0.681 74 V HN 0.452 nan 8.190 nan 0.000 0.462 75 K N 0.001 120.390 120.400 -0.017 0.000 2.063 75 K HA -0.235 4.084 4.320 -0.001 0.000 0.208 75 K C 2.325 178.898 176.600 -0.045 0.000 1.048 75 K CA 2.189 58.459 56.287 -0.028 0.000 0.928 75 K CB -0.278 32.207 32.500 -0.026 0.000 0.713 75 K HN 0.716 nan 8.250 nan 0.000 0.442 76 E N -0.049 120.127 120.200 -0.042 0.000 2.015 76 E HA -0.163 4.187 4.350 -0.001 0.000 0.191 76 E C 1.982 178.526 176.600 -0.094 0.000 0.991 76 E CA 1.718 58.084 56.400 -0.057 0.000 0.802 76 E CB 0.001 29.678 29.700 -0.038 0.000 0.759 76 E HN 0.288 nan 8.360 nan 0.000 0.447 77 V N -0.877 118.993 119.914 -0.074 0.000 2.626 77 V HA -0.079 4.041 4.120 -0.001 0.000 0.252 77 V C 2.198 178.162 176.094 -0.217 0.000 1.067 77 V CA 1.712 63.938 62.300 -0.124 0.000 1.081 77 V CB -0.675 31.167 31.823 0.031 0.000 0.686 77 V HN 0.283 nan 8.190 nan 0.000 0.468 78 A N 1.677 124.429 122.820 -0.112 0.000 1.933 78 A HA -0.153 4.166 4.320 -0.001 0.000 0.218 78 A C 2.643 180.131 177.584 -0.160 0.000 1.175 78 A CA 2.484 54.462 52.037 -0.098 0.000 0.628 78 A CB -1.083 17.891 19.000 -0.043 0.000 0.814 78 A HN 1.008 nan 8.150 nan 0.000 0.444 79 S N 0.168 115.775 115.700 -0.156 0.000 2.382 79 S HA -0.208 4.261 4.470 -0.001 0.000 0.228 79 S C 1.806 176.267 174.600 -0.231 0.000 1.027 79 S CA 1.519 59.629 58.200 -0.150 0.000 0.991 79 S CB -0.471 62.661 63.200 -0.112 0.000 0.823 79 S HN 0.601 nan 8.310 nan 0.000 0.469 80 K N 1.530 121.700 120.400 -0.382 0.000 2.160 80 K HA -0.030 4.289 4.320 -0.001 0.000 0.206 80 K C 2.471 178.737 176.600 -0.555 0.000 1.047 80 K CA 1.211 57.163 56.287 -0.558 0.000 0.930 80 K CB -0.579 31.337 32.500 -0.972 0.000 0.720 80 K HN 0.563 nan 8.250 nan 0.000 0.450 81 A N 1.657 124.183 122.820 -0.490 0.000 1.873 81 A HA -0.209 4.111 4.320 -0.001 0.000 0.215 81 A C 1.925 179.472 177.584 -0.063 0.000 1.186 81 A CA 1.830 53.797 52.037 -0.116 0.000 0.616 81 A CB -0.601 18.409 19.000 0.016 0.000 0.823 81 A HN 0.273 nan 8.150 nan 0.000 0.442 82 N N 0.107 118.750 118.700 -0.095 0.000 2.166 82 N HA -0.130 4.610 4.740 -0.001 0.000 0.186 82 N C 1.163 176.617 175.510 -0.093 0.000 1.019 82 N CA 1.536 54.542 53.050 -0.073 0.000 0.856 82 N CB -0.166 38.279 38.487 -0.070 0.000 0.993 82 N HN 0.419 nan 8.380 nan 0.000 0.426 83 D N -0.209 120.123 120.400 -0.114 0.000 2.117 83 D HA -0.101 4.539 4.640 -0.001 0.000 0.197 83 D C 1.697 177.942 176.300 -0.092 0.000 0.987 83 D CA 1.200 55.132 54.000 -0.113 0.000 0.829 83 D CB -0.383 40.346 40.800 -0.117 0.000 0.961 83 D HN 0.364 nan 8.370 nan 0.000 0.460 84 A N 0.353 123.144 122.820 -0.048 0.000 1.929 84 A HA 0.223 4.543 4.320 -0.001 0.000 0.216 84 A C 1.992 179.574 177.584 -0.003 0.000 1.176 84 A CA 1.745 53.786 52.037 0.007 0.000 0.628 84 A CB 0.015 19.081 19.000 0.110 0.000 0.816 84 A HN 0.234 nan 8.150 nan 0.000 0.444 85 A N -2.878 119.937 122.820 -0.009 0.000 2.551 85 A HA 0.477 4.796 4.320 -0.001 0.000 0.252 85 A C 1.524 179.095 177.584 -0.022 0.000 1.199 85 A CA 0.963 52.998 52.037 -0.003 0.000 0.972 85 A CB -0.284 18.732 19.000 0.027 0.000 1.153 85 A HN 1.830 nan 8.150 nan 0.000 0.559 86 G N -0.547 108.209 108.800 -0.072 0.000 2.162 86 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.260 86 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.260 86 G C -0.155 174.735 174.900 -0.017 0.000 0.976 86 G CA 0.793 45.844 45.100 -0.082 0.000 0.655 86 G HN 0.983 nan 8.290 nan 0.000 0.533 87 D N -3.133 117.261 120.400 -0.010 0.000 2.742 87 D HA 0.574 5.213 4.640 -0.001 0.000 0.262 87 D C 0.759 177.063 176.300 0.006 0.000 1.240 87 D CA 1.431 55.432 54.000 0.002 0.000 0.752 87 D CB 0.207 41.017 40.800 0.015 0.000 1.290 87 D HN 1.420 nan 8.370 nan 0.000 0.420 88 G N -0.018 108.786 108.800 0.007 0.000 2.163 88 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.213 88 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.213 88 G C 1.054 175.960 174.900 0.010 0.000 0.991 88 G CA 0.721 45.831 45.100 0.016 0.000 0.653 88 G HN 0.558 nan 8.290 nan 0.000 0.518 89 T N 0.632 115.182 114.554 -0.008 0.000 2.737 89 T HA -0.043 4.306 4.350 -0.001 0.000 0.265 89 T C 2.622 177.317 174.700 -0.009 0.000 1.038 89 T CA 2.468 64.557 62.100 -0.020 0.000 1.144 89 T CB -0.266 68.581 68.868 -0.035 0.000 0.866 89 T HN 0.426 nan 8.240 nan 0.000 0.434 90 T N 1.421 115.972 114.554 -0.004 0.000 2.708 90 T HA -0.098 4.251 4.350 -0.001 0.000 0.266 90 T C 2.221 176.925 174.700 0.006 0.000 1.037 90 T CA 1.647 63.746 62.100 -0.001 0.000 1.146 90 T CB -0.682 68.186 68.868 -0.001 0.000 0.865 90 T HN 0.382 nan 8.240 nan 0.000 0.435 91 T N 2.200 116.760 114.554 0.010 0.000 2.635 91 T HA -0.122 4.227 4.350 -0.001 0.000 0.267 91 T C 2.384 177.097 174.700 0.022 0.000 1.040 91 T CA 1.352 63.461 62.100 0.016 0.000 1.156 91 T CB -0.671 68.209 68.868 0.020 0.000 0.863 91 T HN 0.440 nan 8.240 nan 0.000 0.430 92 A N 1.170 124.007 122.820 0.029 0.000 1.940 92 A HA -0.171 4.149 4.320 -0.001 0.000 0.219 92 A C 2.553 180.155 177.584 0.030 0.000 1.176 92 A CA 2.263 54.325 52.037 0.043 0.000 0.631 92 A CB -1.265 17.768 19.000 0.055 0.000 0.814 92 A HN 0.511 nan 8.150 nan 0.000 0.446 93 T N -0.434 114.130 114.554 0.016 0.000 2.737 93 T HA -0.123 4.226 4.350 -0.001 0.000 0.265 93 T C 2.025 176.732 174.700 0.013 0.000 1.038 93 T CA 1.895 64.001 62.100 0.011 0.000 1.144 93 T CB -0.759 68.110 68.868 0.002 0.000 0.866 93 T HN 0.686 nan 8.240 nan 0.000 0.434 94 V N 0.874 120.795 119.914 0.012 0.000 2.515 94 V HA -0.048 4.072 4.120 -0.001 0.000 0.250 94 V C 2.189 178.291 176.094 0.014 0.000 1.058 94 V CA 1.426 63.733 62.300 0.011 0.000 1.064 94 V CB -0.982 30.847 31.823 0.010 0.000 0.675 94 V HN 0.465 nan 8.190 nan 0.000 0.461 95 L N 0.567 121.801 121.223 0.018 0.000 2.017 95 L HA -0.058 4.281 4.340 -0.001 0.000 0.208 95 L C 3.077 179.960 176.870 0.021 0.000 1.073 95 L CA 1.845 56.697 54.840 0.020 0.000 0.745 95 L CB -0.952 41.122 42.059 0.026 0.000 0.894 95 L HN 0.456 nan 8.230 nan 0.000 0.432 96 A N -0.592 122.242 122.820 0.024 0.000 1.908 96 A HA -0.303 4.016 4.320 -0.001 0.000 0.218 96 A C 2.251 179.846 177.584 0.018 0.000 1.181 96 A CA 1.985 54.036 52.037 0.024 0.000 0.627 96 A CB -0.636 18.381 19.000 0.027 0.000 0.818 96 A HN 0.531 nan 8.150 nan 0.000 0.445 97 Q N -0.520 119.289 119.800 0.015 0.000 2.084 97 Q HA -0.144 4.196 4.340 -0.001 0.000 0.202 97 Q C 2.192 178.199 176.000 0.011 0.000 0.978 97 Q CA 1.702 57.512 55.803 0.012 0.000 0.844 97 Q CB -0.358 28.385 28.738 0.010 0.000 0.898 97 Q HN 0.598 nan 8.270 nan 0.000 0.426 98 A N 0.937 123.763 122.820 0.011 0.000 1.877 98 A HA -0.170 4.149 4.320 -0.001 0.000 0.216 98 A C 2.013 179.603 177.584 0.010 0.000 1.186 98 A CA 1.509 53.552 52.037 0.010 0.000 0.620 98 A CB -0.723 18.283 19.000 0.010 0.000 0.822 98 A HN 0.487 nan 8.150 nan 0.000 0.443 99 I N -0.337 120.241 120.570 0.012 0.000 2.142 99 I HA -0.263 3.906 4.170 -0.001 0.000 0.240 99 I C 2.346 178.470 176.117 0.011 0.000 1.078 99 I CA 1.455 62.762 61.300 0.012 0.000 1.343 99 I CB -0.461 37.547 38.000 0.014 0.000 1.046 99 I HN 0.288 nan 8.210 nan 0.000 0.405 100 I N 0.491 121.069 120.570 0.012 0.000 2.208 100 I HA -0.295 3.874 4.170 -0.001 0.000 0.245 100 I C 2.596 178.719 176.117 0.010 0.000 1.097 100 I CA 1.634 62.941 61.300 0.012 0.000 1.363 100 I CB -0.655 37.353 38.000 0.013 0.000 1.051 100 I HN 0.283 nan 8.210 nan 0.000 0.413 101 T N 0.152 114.711 114.554 0.009 0.000 2.643 101 T HA -0.161 4.189 4.350 -0.001 0.000 0.264 101 T C 1.845 176.549 174.700 0.006 0.000 1.045 101 T CA 1.291 63.395 62.100 0.007 0.000 1.155 101 T CB -0.197 68.674 68.868 0.006 0.000 0.863 101 T HN 0.271 nan 8.240 nan 0.000 0.420 102 E N 0.775 120.978 120.200 0.006 0.000 2.110 102 E HA -0.042 4.307 4.350 -0.001 0.000 0.193 102 E C 2.543 179.146 176.600 0.006 0.000 0.988 102 E CA 1.155 57.558 56.400 0.005 0.000 0.804 102 E CB -0.953 28.750 29.700 0.005 0.000 0.745 102 E HN 0.570 nan 8.360 nan 0.000 0.458 103 G N 1.304 110.108 108.800 0.007 0.000 2.440 103 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.218 103 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.218 103 G C 1.719 176.623 174.900 0.006 0.000 1.154 103 G CA 0.613 45.717 45.100 0.007 0.000 0.767 103 G HN 0.201 nan 8.290 nan 0.000 0.552 104 L N -0.240 120.987 121.223 0.006 0.000 2.141 104 L HA -0.008 4.331 4.340 -0.001 0.000 0.209 104 L C 2.926 179.798 176.870 0.004 0.000 1.094 104 L CA 0.892 55.736 54.840 0.006 0.000 0.763 104 L CB -0.306 41.757 42.059 0.005 0.000 0.908 104 L HN 0.190 nan 8.230 nan 0.000 0.437 105 K N 0.284 120.686 120.400 0.004 0.000 2.026 105 K HA -0.171 4.149 4.320 -0.001 0.000 0.208 105 K C 2.268 178.869 176.600 0.003 0.000 1.048 105 K CA 1.475 57.764 56.287 0.003 0.000 0.929 105 K CB -0.199 32.303 32.500 0.003 0.000 0.713 105 K HN 0.274 nan 8.250 nan 0.000 0.439 106 A N 0.960 123.782 122.820 0.003 0.000 1.883 106 A HA -0.145 4.175 4.320 -0.001 0.000 0.217 106 A C 2.334 179.920 177.584 0.004 0.000 1.186 106 A CA 1.607 53.646 52.037 0.003 0.000 0.624 106 A CB -0.756 18.246 19.000 0.004 0.000 0.822 106 A HN 0.101 nan 8.150 nan 0.000 0.444 107 V N -0.159 119.758 119.914 0.005 0.000 2.392 107 V HA -0.277 3.842 4.120 -0.001 0.000 0.249 107 V C 3.008 179.105 176.094 0.004 0.000 1.059 107 V CA 2.020 64.323 62.300 0.005 0.000 1.051 107 V CB -1.192 30.636 31.823 0.007 0.000 0.658 107 V HN 0.630 nan 8.190 nan 0.000 0.455 108 A N -0.168 122.654 122.820 0.003 0.000 1.969 108 A HA 0.040 4.359 4.320 -0.001 0.000 0.218 108 A C 2.251 179.836 177.584 0.001 0.000 1.169 108 A CA 1.517 53.555 52.037 0.002 0.000 0.635 108 A CB -0.544 18.456 19.000 0.001 0.000 0.810 108 A HN 0.585 nan 8.150 nan 0.000 0.445 109 A N -1.621 121.199 122.820 0.001 0.000 2.239 109 A HA 0.386 4.706 4.320 -0.001 0.000 0.209 109 A C 1.739 179.323 177.584 0.001 0.000 1.171 109 A CA 1.256 53.293 52.037 0.001 0.000 0.768 109 A CB -0.983 18.018 19.000 0.001 0.000 0.790 109 A HN 1.857 nan 8.150 nan 0.000 0.478 110 G N -1.875 106.926 108.800 0.001 0.000 2.141 110 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.231 110 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.231 110 G C 0.144 175.045 174.900 0.002 0.000 0.984 110 G CA 0.256 45.357 45.100 0.001 0.000 0.660 110 G HN 0.393 nan 8.290 nan 0.000 0.525 111 M N 0.549 120.150 119.600 0.003 0.000 2.255 111 M HA 0.242 4.721 4.480 -0.001 0.000 0.336 111 M C 0.723 177.025 176.300 0.004 0.000 1.135 111 M CA -0.563 54.739 55.300 0.003 0.000 1.145 111 M CB 0.542 33.144 32.600 0.003 0.000 1.473 111 M HN 0.167 nan 8.290 nan 0.000 0.462 112 N N 2.596 121.299 118.700 0.004 0.000 2.431 112 N HA 0.078 4.817 4.740 -0.001 0.000 0.265 112 N C -2.118 173.396 175.510 0.006 0.000 1.184 112 N CA -1.166 51.887 53.050 0.005 0.000 0.943 112 N CB 1.169 39.659 38.487 0.004 0.000 1.080 112 N HN 0.290 nan 8.380 nan 0.000 0.477 113 P HA -0.142 nan 4.420 nan 0.000 0.215 113 P C 1.668 178.974 177.300 0.009 0.000 1.157 113 P CA 1.411 64.516 63.100 0.009 0.000 0.874 113 P CB 0.201 31.909 31.700 0.012 0.000 0.790 114 M N -0.886 118.719 119.600 0.009 0.000 2.159 114 M HA -0.134 4.346 4.480 -0.001 0.000 0.263 114 M C 1.489 177.792 176.300 0.005 0.000 1.063 114 M CA 1.623 56.928 55.300 0.007 0.000 1.110 114 M CB -1.692 30.913 32.600 0.007 0.000 1.374 114 M HN 0.003 nan 8.290 nan 0.000 0.411 115 D N 0.318 120.721 120.400 0.005 0.000 2.123 115 D HA -0.015 4.625 4.640 -0.001 0.000 0.200 115 D C 2.327 178.629 176.300 0.004 0.000 0.976 115 D CA 0.862 54.864 54.000 0.004 0.000 0.831 115 D CB -0.054 40.748 40.800 0.003 0.000 0.974 115 D HN 0.320 nan 8.370 nan 0.000 0.469 116 L N 0.946 122.172 121.223 0.004 0.000 2.042 116 L HA -0.189 4.150 4.340 -0.001 0.000 0.210 116 L C 2.560 179.433 176.870 0.005 0.000 1.076 116 L CA 1.197 56.040 54.840 0.005 0.000 0.749 116 L CB -0.328 41.735 42.059 0.006 0.000 0.893 116 L HN -0.012 nan 8.230 nan 0.000 0.432 117 K N 0.406 120.809 120.400 0.005 0.000 2.026 117 K HA -0.230 4.089 4.320 -0.001 0.000 0.208 117 K C 2.347 178.949 176.600 0.002 0.000 1.048 117 K CA 1.391 57.680 56.287 0.005 0.000 0.929 117 K CB -0.050 32.453 32.500 0.006 0.000 0.713 117 K HN 0.080 nan 8.250 nan 0.000 0.439 118 R N -0.216 120.285 120.500 0.002 0.000 2.105 118 R HA -0.104 4.235 4.340 -0.001 0.000 0.239 118 R C 2.293 178.592 176.300 -0.001 0.000 1.135 118 R CA 1.709 57.809 56.100 -0.000 0.000 0.967 118 R CB -0.502 29.798 30.300 0.000 0.000 0.861 118 R HN 0.425 nan 8.270 nan 0.000 0.442 119 G N 0.565 109.366 108.800 0.001 0.000 2.408 119 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.217 119 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.217 119 G C 1.421 176.321 174.900 0.000 0.000 1.150 119 G CA 0.701 45.801 45.100 0.001 0.000 0.776 119 G HN 0.249 nan 8.290 nan 0.000 0.542 120 I N 0.963 121.533 120.570 0.001 0.000 2.179 120 I HA -0.134 4.035 4.170 -0.001 0.000 0.242 120 I C 2.298 178.414 176.117 -0.003 0.000 1.088 120 I CA 1.189 62.489 61.300 0.001 0.000 1.357 120 I CB -0.179 37.823 38.000 0.003 0.000 1.051 120 I HN 0.042 nan 8.210 nan 0.000 0.409 121 D N 0.852 121.249 120.400 -0.004 0.000 2.117 121 D HA -0.218 4.421 4.640 -0.001 0.000 0.197 121 D C 2.062 178.356 176.300 -0.009 0.000 0.987 121 D CA 1.238 55.233 54.000 -0.009 0.000 0.829 121 D CB -0.228 40.567 40.800 -0.009 0.000 0.961 121 D HN 0.267 nan 8.370 nan 0.000 0.460 122 K N 0.663 121.060 120.400 -0.006 0.000 2.026 122 K HA -0.124 4.195 4.320 -0.001 0.000 0.208 122 K C 2.052 178.649 176.600 -0.005 0.000 1.048 122 K CA 1.360 57.644 56.287 -0.005 0.000 0.929 122 K CB -0.078 32.420 32.500 -0.003 0.000 0.713 122 K HN 0.023 nan 8.250 nan 0.000 0.439 123 A N 0.620 123.438 122.820 -0.003 0.000 1.883 123 A HA -0.145 4.175 4.320 -0.001 0.000 0.217 123 A C 2.254 179.836 177.584 -0.004 0.000 1.186 123 A CA 1.893 53.929 52.037 -0.001 0.000 0.624 123 A CB -0.756 18.245 19.000 0.001 0.000 0.822 123 A HN 0.193 nan 8.150 nan 0.000 0.444 124 V N -0.314 119.595 119.914 -0.007 0.000 2.295 124 V HA -0.232 3.887 4.120 -0.001 0.000 0.246 124 V C 2.744 178.829 176.094 -0.015 0.000 1.049 124 V CA 2.464 64.757 62.300 -0.012 0.000 1.024 124 V CB -1.366 30.446 31.823 -0.018 0.000 0.648 124 V HN 0.621 nan 8.190 nan 0.000 0.447 125 T N 0.624 115.168 114.554 -0.016 0.000 2.684 125 T HA -0.229 4.121 4.350 -0.001 0.000 0.267 125 T C 2.069 176.762 174.700 -0.011 0.000 1.036 125 T CA 1.842 63.931 62.100 -0.017 0.000 1.148 125 T CB -0.508 68.351 68.868 -0.015 0.000 0.863 125 T HN 0.582 nan 8.240 nan 0.000 0.436 126 A N 1.395 124.211 122.820 -0.007 0.000 1.902 126 A HA 0.146 4.466 4.320 -0.001 0.000 0.217 126 A C 2.653 180.236 177.584 -0.001 0.000 1.181 126 A CA 1.874 53.909 52.037 -0.003 0.000 0.623 126 A CB -1.104 17.896 19.000 -0.001 0.000 0.818 126 A HN 0.522 nan 8.150 nan 0.000 0.443 127 A N -0.626 122.193 122.820 -0.002 0.000 1.933 127 A HA 0.014 4.333 4.320 -0.001 0.000 0.218 127 A C 2.181 179.764 177.584 -0.001 0.000 1.175 127 A CA 1.721 53.759 52.037 0.001 0.000 0.628 127 A CB -0.820 18.180 19.000 0.001 0.000 0.814 127 A HN 0.396 nan 8.150 nan 0.000 0.444 128 V N 0.229 120.138 119.914 -0.007 0.000 2.515 128 V HA -0.176 3.943 4.120 -0.001 0.000 0.250 128 V C 2.511 178.602 176.094 -0.005 0.000 1.058 128 V CA 2.006 64.301 62.300 -0.009 0.000 1.064 128 V CB -0.643 31.168 31.823 -0.020 0.000 0.675 128 V HN 0.490 nan 8.190 nan 0.000 0.461 129 E N -0.011 120.187 120.200 -0.004 0.000 2.046 129 E HA -0.192 4.158 4.350 -0.001 0.000 0.190 129 E C 2.202 178.804 176.600 0.003 0.000 0.982 129 E CA 0.961 57.361 56.400 -0.001 0.000 0.800 129 E CB -0.325 29.375 29.700 -0.001 0.000 0.756 129 E HN 0.531 nan 8.360 nan 0.000 0.449 130 E N 0.506 120.709 120.200 0.005 0.000 2.209 130 E HA -0.137 4.213 4.350 -0.001 0.000 0.196 130 E C 1.773 178.380 176.600 0.011 0.000 0.993 130 E CA 0.293 56.699 56.400 0.009 0.000 0.819 130 E CB -0.167 29.539 29.700 0.010 0.000 0.745 130 E HN 0.046 nan 8.360 nan 0.000 0.477 131 L N 0.379 121.608 121.223 0.009 0.000 2.179 131 L HA -0.031 4.308 4.340 -0.001 0.000 0.208 131 L C 1.675 178.551 176.870 0.010 0.000 1.096 131 L CA 1.636 56.482 54.840 0.010 0.000 0.779 131 L CB -0.202 41.861 42.059 0.007 0.000 0.922 131 L HN -0.007 nan 8.230 nan 0.000 0.443 132 K N -1.085 119.320 120.400 0.007 0.000 2.148 132 K HA -0.032 4.288 4.320 -0.001 0.000 0.204 132 K C 2.063 178.669 176.600 0.010 0.000 1.050 132 K CA 1.094 57.386 56.287 0.008 0.000 0.942 132 K CB -0.205 32.298 32.500 0.005 0.000 0.724 132 K HN 0.344 nan 8.250 nan 0.000 0.446 133 A N 1.646 124.472 122.820 0.011 0.000 1.898 133 A HA -0.106 4.213 4.320 -0.001 0.000 0.216 133 A C 1.999 179.593 177.584 0.016 0.000 1.181 133 A CA 0.868 52.913 52.037 0.012 0.000 0.620 133 A CB -0.495 18.512 19.000 0.012 0.000 0.819 133 A HN 0.213 nan 8.150 nan 0.000 0.442 134 L N 0.259 121.493 121.223 0.018 0.000 2.191 134 L HA -0.007 4.333 4.340 -0.001 0.000 0.212 134 L C 1.223 178.106 176.870 0.022 0.000 1.103 134 L CA 1.407 56.260 54.840 0.023 0.000 0.769 134 L CB -1.150 40.924 42.059 0.025 0.000 0.908 134 L HN 0.374 nan 8.230 nan 0.000 0.438 135 S N -0.460 115.250 115.700 0.018 0.000 2.560 135 S HA 0.173 4.642 4.470 -0.001 0.000 0.284 135 S C -0.176 174.434 174.600 0.016 0.000 1.327 135 S CA -0.402 57.808 58.200 0.016 0.000 1.055 135 S CB 0.688 63.897 63.200 0.014 0.000 0.868 135 S HN 0.086 nan 8.310 nan 0.000 0.506 136 V N 7.909 127.832 119.914 0.016 0.000 2.417 136 V HA 0.409 4.529 4.120 -0.001 0.000 0.291 136 V C -2.115 173.987 176.094 0.013 0.000 1.024 136 V CA -1.893 60.416 62.300 0.015 0.000 0.861 136 V CB 1.524 33.356 31.823 0.016 0.000 0.985 136 V HN 0.777 nan 8.190 nan 0.000 0.436 137 P HA 0.126 nan 4.420 nan 0.000 0.269 137 P C -0.679 176.627 177.300 0.010 0.000 1.215 137 P CA -0.153 62.953 63.100 0.011 0.000 0.780 137 P CB 0.420 32.126 31.700 0.010 0.000 0.898 138 C N 2.582 121.888 119.300 0.010 0.000 2.978 138 C HA 0.473 4.933 4.460 -0.001 0.000 0.274 138 C C 1.006 176.001 174.990 0.009 0.000 1.087 138 C CA 0.138 59.161 59.018 0.009 0.000 1.453 138 C CB -1.310 26.436 27.740 0.010 0.000 1.838 138 C HN 0.566 nan 8.230 nan 0.000 0.470 139 S N 1.603 117.307 115.700 0.008 0.000 2.979 139 S HA 0.133 4.603 4.470 -0.001 0.000 0.243 139 S C 0.298 174.901 174.600 0.006 0.000 1.036 139 S CA 0.123 58.328 58.200 0.007 0.000 0.846 139 S CB -0.218 62.986 63.200 0.007 0.000 0.806 139 S HN 0.941 nan 8.310 nan 0.000 0.568 140 D N 2.660 123.063 120.400 0.005 0.000 2.449 140 D HA 0.004 4.643 4.640 -0.001 0.000 0.236 140 D C 0.906 177.208 176.300 0.003 0.000 1.149 140 D CA 0.503 54.506 54.000 0.004 0.000 0.878 140 D CB 0.777 41.580 40.800 0.004 0.000 1.198 140 D HN 0.286 nan 8.370 nan 0.000 0.446 141 S N 1.129 116.830 115.700 0.002 0.000 2.537 141 S HA -0.210 4.260 4.470 -0.001 0.000 0.240 141 S C 1.522 176.122 174.600 0.001 0.000 0.981 141 S CA 0.732 58.933 58.200 0.001 0.000 0.948 141 S CB -0.254 62.947 63.200 0.000 0.000 0.759 141 S HN 0.655 nan 8.310 nan 0.000 0.531 142 K N 1.495 121.896 120.400 0.001 0.000 2.062 142 K HA 0.102 4.421 4.320 -0.001 0.000 0.205 142 K C 2.276 178.876 176.600 0.001 0.000 1.051 142 K CA 0.973 57.260 56.287 0.001 0.000 0.941 142 K CB -0.520 31.981 32.500 0.002 0.000 0.719 142 K HN 0.417 nan 8.250 nan 0.000 0.440 143 A N 1.563 124.385 122.820 0.003 0.000 1.897 143 A HA -0.069 4.251 4.320 -0.001 0.000 0.215 143 A C 2.056 179.641 177.584 0.003 0.000 1.181 143 A CA 1.122 53.161 52.037 0.003 0.000 0.620 143 A CB -0.536 18.467 19.000 0.005 0.000 0.821 143 A HN 0.318 nan 8.150 nan 0.000 0.443 144 I N -0.042 120.529 120.570 0.002 0.000 2.248 144 I HA -0.339 3.830 4.170 -0.001 0.000 0.248 144 I C 2.915 179.031 176.117 -0.001 0.000 1.107 144 I CA 1.191 62.492 61.300 0.001 0.000 1.373 144 I CB -0.374 37.626 38.000 0.001 0.000 1.055 144 I HN 0.387 nan 8.210 nan 0.000 0.418 145 A N 0.339 123.157 122.820 -0.002 0.000 1.898 145 A HA -0.216 4.103 4.320 -0.001 0.000 0.216 145 A C 2.259 179.841 177.584 -0.004 0.000 1.181 145 A CA 1.303 53.337 52.037 -0.004 0.000 0.620 145 A CB -0.523 18.474 19.000 -0.004 0.000 0.819 145 A HN 0.474 nan 8.150 nan 0.000 0.442 146 Q N -0.365 119.433 119.800 -0.002 0.000 2.084 146 Q HA -0.115 4.225 4.340 -0.001 0.000 0.202 146 Q C 2.139 178.138 176.000 -0.003 0.000 0.978 146 Q CA 1.647 57.449 55.803 -0.002 0.000 0.844 146 Q CB -0.443 28.295 28.738 -0.001 0.000 0.898 146 Q HN 0.474 nan 8.270 nan 0.000 0.426 147 V N 0.831 120.745 119.914 -0.001 0.000 2.261 147 V HA -0.206 3.914 4.120 -0.001 0.000 0.246 147 V C 2.316 178.408 176.094 -0.002 0.000 1.047 147 V CA 2.054 64.354 62.300 0.000 0.000 1.015 147 V CB -1.275 30.550 31.823 0.004 0.000 0.642 147 V HN 0.555 nan 8.190 nan 0.000 0.446 148 G N -0.493 108.304 108.800 -0.004 0.000 2.442 148 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.219 148 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.219 148 G C 1.679 176.573 174.900 -0.010 0.000 1.141 148 G CA 1.649 46.744 45.100 -0.009 0.000 0.763 148 G HN 0.485 nan 8.290 nan 0.000 0.554 149 T N 1.213 115.762 114.554 -0.009 0.000 2.777 149 T HA -0.010 4.340 4.350 -0.001 0.000 0.266 149 T C 2.381 177.075 174.700 -0.009 0.000 1.040 149 T CA 0.893 62.987 62.100 -0.009 0.000 1.141 149 T CB -0.115 68.748 68.868 -0.008 0.000 0.868 149 T HN 0.266 nan 8.240 nan 0.000 0.444 150 I N 1.271 121.837 120.570 -0.008 0.000 2.315 150 I HA -0.137 4.033 4.170 -0.001 0.000 0.248 150 I C 2.529 178.641 176.117 -0.008 0.000 1.117 150 I CA 0.937 62.232 61.300 -0.009 0.000 1.404 150 I CB -0.315 37.680 38.000 -0.008 0.000 1.071 150 I HN 0.191 nan 8.210 nan 0.000 0.419 151 S N 0.940 116.637 115.700 -0.006 0.000 2.428 151 S HA -0.011 4.458 4.470 -0.001 0.000 0.230 151 S C 1.931 176.527 174.600 -0.007 0.000 1.014 151 S CA 1.002 59.200 58.200 -0.003 0.000 0.957 151 S CB -0.189 63.012 63.200 0.000 0.000 0.784 151 S HN 0.506 nan 8.310 nan 0.000 0.499 152 A N 1.227 124.041 122.820 -0.011 0.000 2.276 152 A HA 0.302 4.622 4.320 -0.001 0.000 0.212 152 A C 0.783 178.360 177.584 -0.012 0.000 1.230 152 A CA 0.171 52.200 52.037 -0.013 0.000 0.844 152 A CB -0.718 18.273 19.000 -0.016 0.000 0.860 152 A HN 0.482 nan 8.150 nan 0.000 0.486 153 N N -1.365 117.328 118.700 -0.011 0.000 2.816 153 N HA -0.205 4.535 4.740 -0.001 0.000 0.247 153 N C 0.164 175.667 175.510 -0.012 0.000 1.100 153 N CA 1.053 54.096 53.050 -0.012 0.000 0.687 153 N CB -1.842 36.638 38.487 -0.011 0.000 1.003 153 N HN 0.426 nan 8.380 nan 0.000 0.554 154 S N -1.540 114.153 115.700 -0.012 0.000 3.482 154 S HA -0.211 4.259 4.470 -0.001 0.000 0.294 154 S C -0.480 174.113 174.600 -0.011 0.000 1.244 154 S CA 0.748 58.941 58.200 -0.012 0.000 0.911 154 S CB -1.056 62.136 63.200 -0.013 0.000 1.070 154 S HN 0.714 nan 8.310 nan 0.000 0.614 155 D N 1.311 121.704 120.400 -0.011 0.000 2.441 155 D HA 0.275 4.915 4.640 -0.001 0.000 0.221 155 D C 1.065 177.359 176.300 -0.011 0.000 1.156 155 D CA -0.266 53.727 54.000 -0.011 0.000 0.896 155 D CB 0.541 41.334 40.800 -0.012 0.000 1.028 155 D HN 0.469 nan 8.370 nan 0.000 0.509 156 E N 1.120 121.315 120.200 -0.009 0.000 2.160 156 E HA -0.158 4.192 4.350 -0.001 0.000 0.195 156 E C 1.509 178.103 176.600 -0.009 0.000 0.991 156 E CA 1.218 57.613 56.400 -0.009 0.000 0.810 156 E CB 0.271 29.967 29.700 -0.007 0.000 0.742 156 E HN 0.472 nan 8.360 nan 0.000 0.466 157 T N 0.645 115.193 114.554 -0.010 0.000 2.684 157 T HA -0.156 4.194 4.350 -0.001 0.000 0.267 157 T C 2.093 176.785 174.700 -0.013 0.000 1.036 157 T CA 1.357 63.451 62.100 -0.010 0.000 1.148 157 T CB -0.251 68.611 68.868 -0.010 0.000 0.863 157 T HN 0.012 nan 8.240 nan 0.000 0.436 158 V N 1.442 121.347 119.914 -0.014 0.000 2.343 158 V HA -0.093 4.026 4.120 -0.001 0.000 0.247 158 V C 2.888 178.971 176.094 -0.018 0.000 1.051 158 V CA 1.901 64.190 62.300 -0.018 0.000 1.036 158 V CB -1.470 30.341 31.823 -0.020 0.000 0.654 158 V HN 0.595 nan 8.190 nan 0.000 0.451 159 G N -0.290 108.502 108.800 -0.014 0.000 2.421 159 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.216 159 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.216 159 G C 1.640 176.533 174.900 -0.011 0.000 1.171 159 G CA 1.132 46.225 45.100 -0.012 0.000 0.775 159 G HN 0.493 nan 8.290 nan 0.000 0.543 160 K N -0.034 120.360 120.400 -0.010 0.000 2.009 160 K HA 0.004 4.324 4.320 -0.001 0.000 0.210 160 K C 2.558 179.152 176.600 -0.010 0.000 1.049 160 K CA 1.035 57.316 56.287 -0.009 0.000 0.929 160 K CB -0.358 32.137 32.500 -0.008 0.000 0.714 160 K HN 0.315 nan 8.250 nan 0.000 0.440 161 L N 1.035 122.251 121.223 -0.013 0.000 1.997 161 L HA -0.269 4.071 4.340 -0.001 0.000 0.216 161 L C 2.490 179.350 176.870 -0.016 0.000 1.074 161 L CA 1.623 56.454 54.840 -0.015 0.000 0.763 161 L CB -0.347 41.701 42.059 -0.018 0.000 0.890 161 L HN 0.310 nan 8.230 nan 0.000 0.434 162 I N -0.857 119.701 120.570 -0.019 0.000 2.226 162 I HA -0.296 3.873 4.170 -0.001 0.000 0.245 162 I C 2.719 178.829 176.117 -0.013 0.000 1.100 162 I CA 1.115 62.403 61.300 -0.020 0.000 1.374 162 I CB -0.503 37.483 38.000 -0.023 0.000 1.057 162 I HN 0.258 nan 8.210 nan 0.000 0.413 163 A N 0.733 123.547 122.820 -0.010 0.000 1.902 163 A HA -0.217 4.102 4.320 -0.001 0.000 0.217 163 A C 2.203 179.784 177.584 -0.006 0.000 1.181 163 A CA 1.686 53.719 52.037 -0.007 0.000 0.623 163 A CB -0.565 18.432 19.000 -0.005 0.000 0.818 163 A HN 0.465 nan 8.150 nan 0.000 0.443 164 E N -0.093 120.103 120.200 -0.007 0.000 2.077 164 E HA -0.100 4.250 4.350 -0.001 0.000 0.193 164 E C 2.334 178.930 176.600 -0.007 0.000 0.989 164 E CA 0.931 57.327 56.400 -0.006 0.000 0.800 164 E CB -0.337 29.359 29.700 -0.007 0.000 0.746 164 E HN 0.605 nan 8.360 nan 0.000 0.452 165 A N 1.504 124.319 122.820 -0.009 0.000 1.877 165 A HA -0.184 4.135 4.320 -0.001 0.000 0.216 165 A C 2.202 179.783 177.584 -0.006 0.000 1.186 165 A CA 1.439 53.470 52.037 -0.009 0.000 0.620 165 A CB -0.490 18.502 19.000 -0.013 0.000 0.822 165 A HN 0.139 nan 8.150 nan 0.000 0.443 166 M N -0.994 118.603 119.600 -0.006 0.000 2.279 166 M HA -0.147 4.333 4.480 -0.001 0.000 0.264 166 M C 1.745 178.045 176.300 -0.001 0.000 1.062 166 M CA 1.792 57.091 55.300 -0.002 0.000 1.099 166 M CB -0.455 32.144 32.600 -0.001 0.000 1.394 166 M HN 0.517 nan 8.290 nan 0.000 0.426 167 D N 0.461 120.860 120.400 -0.002 0.000 2.183 167 D HA -0.118 4.521 4.640 -0.001 0.000 0.203 167 D C 2.020 178.319 176.300 -0.001 0.000 0.969 167 D CA 1.075 55.074 54.000 -0.001 0.000 0.842 167 D CB 0.273 41.072 40.800 -0.002 0.000 0.957 167 D HN -0.010 nan 8.370 nan 0.000 0.484 168 K N -0.030 120.369 120.400 -0.002 0.000 1.984 168 K HA -0.045 4.274 4.320 -0.001 0.000 0.209 168 K C 2.077 178.677 176.600 -0.000 0.000 1.046 168 K CA 1.409 57.695 56.287 -0.001 0.000 0.934 168 K CB -0.486 32.012 32.500 -0.003 0.000 0.717 168 K HN 0.287 nan 8.250 nan 0.000 0.438 169 V N -2.809 117.105 119.914 0.000 0.000 3.650 169 V HA 0.328 4.447 4.120 -0.001 0.000 0.271 169 V C 0.766 176.862 176.094 0.004 0.000 1.281 169 V CA 0.374 62.675 62.300 0.002 0.000 1.120 169 V CB -0.483 31.342 31.823 0.003 0.000 0.856 169 V HN 0.394 nan 8.190 nan 0.000 0.443 170 G N 0.994 109.796 108.800 0.003 0.000 2.707 170 G HA2 -0.155 3.805 3.960 -0.001 0.000 0.686 170 G HA3 -0.155 3.805 3.960 -0.001 0.000 0.686 170 G C 0.151 175.054 174.900 0.006 0.000 1.315 170 G CA -0.057 45.046 45.100 0.004 0.000 0.832 170 G HN 0.169 nan 8.290 nan 0.000 0.573 171 K N 0.231 120.635 120.400 0.007 0.000 2.063 171 K HA -0.085 4.234 4.320 -0.001 0.000 0.208 171 K C 2.011 178.617 176.600 0.011 0.000 1.048 171 K CA 2.000 58.292 56.287 0.009 0.000 0.928 171 K CB -0.157 32.349 32.500 0.009 0.000 0.713 171 K HN 0.641 nan 8.250 nan 0.000 0.442 172 E N 0.487 120.694 120.200 0.011 0.000 2.489 172 E HA 0.044 4.394 4.350 -0.001 0.000 0.193 172 E C 1.054 177.662 176.600 0.014 0.000 1.057 172 E CA 0.014 56.422 56.400 0.013 0.000 0.866 172 E CB -0.210 29.497 29.700 0.013 0.000 0.916 172 E HN 0.237 nan 8.360 nan 0.000 0.500 173 G N 0.979 109.785 108.800 0.011 0.000 2.699 173 G HA2 0.198 4.157 3.960 -0.001 0.000 0.246 173 G HA3 0.198 4.157 3.960 -0.001 0.000 0.246 173 G C 0.015 174.922 174.900 0.012 0.000 1.219 173 G CA -0.440 44.666 45.100 0.011 0.000 0.866 173 G HN -0.005 nan 8.290 nan 0.000 0.572 174 V N 1.303 121.225 119.914 0.012 0.000 2.383 174 V HA 0.373 4.492 4.120 -0.001 0.000 0.275 174 V C 0.260 176.357 176.094 0.006 0.000 1.036 174 V CA -0.212 62.096 62.300 0.012 0.000 0.889 174 V CB 0.894 32.726 31.823 0.015 0.000 0.985 174 V HN 0.464 nan 8.190 nan 0.000 0.459 175 I N 3.949 124.521 120.570 0.003 0.000 2.474 175 I HA 0.554 4.724 4.170 -0.001 0.000 0.294 175 I C 0.108 176.218 176.117 -0.011 0.000 1.005 175 I CA -0.152 61.144 61.300 -0.007 0.000 1.113 175 I CB 2.356 40.348 38.000 -0.014 0.000 1.289 175 I HN 0.517 nan 8.210 nan 0.000 0.436 176 T N 4.583 119.128 114.554 -0.015 0.000 2.924 176 T HA 0.646 4.995 4.350 -0.001 0.000 0.291 176 T C -0.736 173.948 174.700 -0.026 0.000 1.045 176 T CA -0.529 61.561 62.100 -0.017 0.000 1.015 176 T CB 2.506 71.368 68.868 -0.010 0.000 1.103 176 T HN 0.206 nan 8.240 nan 0.000 0.496 177 V N 2.283 122.181 119.914 -0.028 0.000 2.638 177 V HA 0.559 4.679 4.120 -0.001 0.000 0.306 177 V C -0.547 175.535 176.094 -0.020 0.000 1.052 177 V CA -0.772 61.510 62.300 -0.031 0.000 0.885 177 V CB 1.880 33.674 31.823 -0.048 0.000 0.999 177 V HN 0.906 nan 8.190 nan 0.000 0.424 178 E N 1.759 121.948 120.200 -0.018 0.000 2.433 178 E HA 0.426 4.775 4.350 -0.001 0.000 0.273 178 E C -1.532 175.061 176.600 -0.013 0.000 0.950 178 E CA -1.098 55.294 56.400 -0.013 0.000 0.796 178 E CB 1.809 31.502 29.700 -0.012 0.000 1.330 178 E HN 0.593 nan 8.360 nan 0.000 0.455 179 D N 0.840 121.234 120.400 -0.010 0.000 2.423 179 D HA 0.133 4.772 4.640 -0.001 0.000 0.238 179 D C 0.112 176.406 176.300 -0.010 0.000 1.142 179 D CA 0.440 54.434 54.000 -0.010 0.000 0.884 179 D CB 0.879 41.674 40.800 -0.008 0.000 1.199 179 D HN 0.482 nan 8.370 nan 0.000 0.438 180 G N -0.567 108.227 108.800 -0.010 0.000 2.476 180 G HA2 0.268 4.228 3.960 -0.001 0.000 0.286 180 G HA3 0.268 4.228 3.960 -0.001 0.000 0.286 180 G C 1.108 176.003 174.900 -0.008 0.000 1.177 180 G CA -0.304 44.790 45.100 -0.009 0.000 0.870 180 G HN 0.440 nan 8.290 nan 0.000 0.528 181 T N -1.946 112.604 114.554 -0.008 0.000 3.023 181 T HA 0.405 4.754 4.350 -0.001 0.000 0.266 181 T C 1.195 175.891 174.700 -0.007 0.000 1.093 181 T CA 1.061 63.157 62.100 -0.007 0.000 1.129 181 T CB 0.044 68.908 68.868 -0.007 0.000 0.899 181 T HN 1.322 nan 8.240 nan 0.000 0.491 182 G N 0.487 109.283 108.800 -0.007 0.000 2.474 182 G HA2 0.423 4.383 3.960 -0.001 0.000 0.234 182 G HA3 0.423 4.383 3.960 -0.001 0.000 0.234 182 G C -1.793 173.104 174.900 -0.006 0.000 1.204 182 G CA -0.569 44.527 45.100 -0.006 0.000 0.939 182 G HN 0.306 nan 8.290 nan 0.000 0.491 183 L N 0.870 122.089 121.223 -0.006 0.000 2.397 183 L HA 0.617 4.956 4.340 -0.001 0.000 0.271 183 L C -0.275 176.592 176.870 -0.006 0.000 1.148 183 L CA 0.584 55.421 54.840 -0.006 0.000 0.825 183 L CB 0.321 42.377 42.059 -0.005 0.000 1.117 183 L HN 0.899 nan 8.230 nan 0.000 0.456 184 Q N 2.975 122.771 119.800 -0.007 0.000 2.710 184 Q HA -0.087 4.252 4.340 -0.001 0.000 0.178 184 Q C -1.183 174.812 176.000 -0.008 0.000 1.358 184 Q CA 0.076 55.875 55.803 -0.007 0.000 0.379 184 Q CB -0.118 28.616 28.738 -0.006 0.000 0.558 184 Q HN 0.719 nan 8.270 nan 0.000 0.321 185 D N 2.511 122.906 120.400 -0.009 0.000 2.369 185 D HA 0.229 4.869 4.640 -0.001 0.000 0.241 185 D C 0.069 176.363 176.300 -0.009 0.000 1.271 185 D CA 0.365 54.359 54.000 -0.010 0.000 0.942 185 D CB 0.647 41.440 40.800 -0.011 0.000 1.129 185 D HN 0.363 nan 8.370 nan 0.000 0.476 186 E N -0.606 119.588 120.200 -0.010 0.000 2.343 186 E HA 0.487 4.837 4.350 -0.001 0.000 0.278 186 E C -1.354 175.240 176.600 -0.010 0.000 0.910 186 E CA -0.756 55.639 56.400 -0.009 0.000 0.757 186 E CB 2.446 32.141 29.700 -0.009 0.000 1.218 186 E HN 0.084 nan 8.360 nan 0.000 0.435 187 L N 3.079 124.297 121.223 -0.009 0.000 2.431 187 L HA 0.604 4.943 4.340 -0.001 0.000 0.266 187 L C -2.142 174.724 176.870 -0.007 0.000 0.978 187 L CA -0.252 54.582 54.840 -0.009 0.000 0.822 187 L CB 1.791 43.845 42.059 -0.009 0.000 1.310 187 L HN 0.594 nan 8.230 nan 0.000 0.409 188 D N 3.591 123.986 120.400 -0.007 0.000 2.747 188 D HA 0.218 4.857 4.640 -0.001 0.000 0.218 188 D C -1.310 174.987 176.300 -0.005 0.000 1.230 188 D CA -0.407 53.590 54.000 -0.006 0.000 0.774 188 D CB 1.384 42.181 40.800 -0.006 0.000 1.667 188 D HN 0.302 nan 8.370 nan 0.000 0.499 189 V N 0.904 120.816 119.914 -0.003 0.000 2.432 189 V HA 0.469 4.588 4.120 -0.001 0.000 0.271 189 V C 0.966 177.059 176.094 -0.001 0.000 1.046 189 V CA -0.545 61.754 62.300 -0.002 0.000 0.945 189 V CB 0.815 32.637 31.823 -0.001 0.000 0.992 189 V HN 0.578 nan 8.190 nan 0.000 0.471 190 V N 1.919 121.833 119.914 -0.000 0.000 3.166 190 V HA 0.686 4.805 4.120 -0.001 0.000 0.317 190 V C -0.082 176.014 176.094 0.003 0.000 1.136 190 V CA -1.065 61.235 62.300 -0.000 0.000 1.035 190 V CB 2.002 33.823 31.823 -0.002 0.000 1.110 190 V HN 0.666 nan 8.190 nan 0.000 0.450 191 E N 1.358 121.560 120.200 0.003 0.000 2.366 191 E HA 0.564 4.913 4.350 -0.001 0.000 0.266 191 E C 0.222 176.828 176.600 0.011 0.000 1.015 191 E CA 1.001 57.405 56.400 0.007 0.000 0.906 191 E CB 0.748 30.451 29.700 0.005 0.000 0.979 191 E HN 1.209 nan 8.360 nan 0.000 0.443 192 G N 1.488 110.299 108.800 0.018 0.000 2.506 192 G HA2 0.544 4.504 3.960 -0.001 0.000 0.292 192 G HA3 0.544 4.504 3.960 -0.001 0.000 0.292 192 G C -1.250 173.674 174.900 0.039 0.000 1.425 192 G CA -0.649 44.468 45.100 0.027 0.000 0.788 192 G HN 0.400 nan 8.290 nan 0.000 0.490 193 M N -0.356 119.281 119.600 0.061 0.000 2.773 193 M HA 0.685 5.164 4.480 -0.001 0.000 0.270 193 M C -2.221 174.148 176.300 0.114 0.000 1.238 193 M CA -0.739 54.613 55.300 0.087 0.000 0.832 193 M CB 2.555 35.218 32.600 0.105 0.000 1.672 193 M HN 0.714 nan 8.290 nan 0.000 0.480 194 Q N 2.740 122.621 119.800 0.135 0.000 2.263 194 Q HA 0.521 4.861 4.340 -0.001 0.000 0.262 194 Q C -2.251 173.849 176.000 0.168 0.000 0.984 194 Q CA -0.635 55.222 55.803 0.090 0.000 0.813 194 Q CB 1.728 30.473 28.738 0.011 0.000 1.299 194 Q HN 0.580 nan 8.270 nan 0.000 0.428 195 F N 0.194 120.146 119.950 0.003 0.000 2.575 195 F HA 0.589 5.115 4.527 -0.001 0.000 0.330 195 F C -0.392 175.409 175.800 0.002 0.000 1.056 195 F CA -1.288 56.715 58.000 0.004 0.000 0.964 195 F CB 0.938 39.942 39.000 0.006 0.000 1.258 195 F HN 0.279 nan 8.300 nan 0.000 0.484 196 D N 3.234 123.721 120.400 0.146 0.000 2.517 196 D HA 0.239 4.879 4.640 -0.001 0.000 0.220 196 D C -0.231 176.102 176.300 0.054 0.000 1.158 196 D CA 0.142 54.163 54.000 0.036 0.000 0.992 196 D CB 0.108 40.942 40.800 0.057 0.000 1.058 196 D HN 0.317 nan 8.370 nan 0.000 0.516 197 R N 0.562 121.023 120.500 -0.066 0.000 2.561 197 R HA 0.511 4.851 4.340 -0.001 0.000 0.266 197 R C 0.052 176.258 176.300 -0.158 0.000 1.091 197 R CA -0.714 55.373 56.100 -0.021 0.000 0.927 197 R CB 2.091 32.507 30.300 0.194 0.000 1.240 197 R HN 0.336 nan 8.270 nan 0.000 0.449 198 G N 0.779 109.485 108.800 -0.156 0.000 2.753 198 G HA2 0.486 4.446 3.960 -0.001 0.000 0.285 198 G HA3 0.486 4.446 3.960 -0.001 0.000 0.285 198 G C -0.762 174.041 174.900 -0.163 0.000 1.344 198 G CA -0.588 44.342 45.100 -0.282 0.000 1.050 198 G HN 0.439 nan 8.290 nan 0.000 0.532 199 Y N -0.868 119.465 120.300 0.054 0.000 2.610 199 Y HA 0.311 4.862 4.550 0.002 0.000 0.332 199 Y C 1.134 177.144 175.900 0.182 0.000 1.201 199 Y CA -1.072 57.115 58.100 0.144 0.000 1.465 199 Y CB 0.370 38.964 38.460 0.222 0.000 1.283 199 Y HN 0.174 nan 8.280 nan 0.000 0.563 200 L N 2.674 124.163 121.223 0.443 0.000 2.675 200 L HA 0.068 4.407 4.340 -0.001 0.000 0.238 200 L C 0.522 177.620 176.870 0.379 0.000 1.155 200 L CA 0.878 55.928 54.840 0.351 0.000 0.881 200 L CB -0.542 41.700 42.059 0.305 0.000 1.008 200 L HN 0.856 nan 8.230 nan 0.000 0.443 201 S N -2.237 113.756 115.700 0.488 0.000 2.714 201 S HA 0.260 4.729 4.470 -0.001 0.000 0.297 201 S C -2.712 171.871 174.600 -0.029 0.000 0.993 201 S CA -1.002 57.324 58.200 0.210 0.000 0.844 201 S CB 1.101 64.303 63.200 0.003 0.000 1.043 201 S HN -0.232 nan 8.310 nan 0.000 0.457 202 P HA 0.416 nan 4.420 nan 0.000 0.327 202 P C 0.140 177.138 177.300 -0.504 0.000 1.342 202 P CA 0.555 63.219 63.100 -0.726 0.000 0.761 202 P CB 0.001 31.292 31.700 -0.682 0.000 1.675 203 Y N -4.898 115.190 120.300 -0.353 0.000 2.802 203 Y HA -0.287 4.263 4.550 0.001 0.000 0.485 203 Y C 1.804 177.582 175.900 -0.203 0.000 1.190 203 Y CA 1.410 59.338 58.100 -0.287 0.000 2.757 203 Y CB -2.992 35.244 38.460 -0.373 0.000 0.919 203 Y HN 0.119 nan 8.280 nan 0.000 0.540 204 F N 0.801 120.745 119.950 -0.010 0.000 2.494 204 F HA -0.018 4.509 4.527 -0.000 0.000 0.298 204 F C 1.385 177.146 175.800 -0.066 0.000 1.106 204 F CA 0.487 58.477 58.000 -0.017 0.000 1.452 204 F CB -0.564 38.438 39.000 0.003 0.000 1.085 204 F HN -0.010 nan 8.300 nan 0.000 0.569 205 I N 2.103 122.666 120.570 -0.013 0.000 2.587 205 I HA -0.090 4.080 4.170 -0.001 0.000 0.284 205 I C 0.642 176.760 176.117 0.001 0.000 1.134 205 I CA 0.211 61.478 61.300 -0.055 0.000 1.410 205 I CB 0.311 38.199 38.000 -0.186 0.000 1.392 205 I HN 0.131 nan 8.210 nan 0.000 0.545 206 N N 4.749 123.465 118.700 0.026 0.000 2.171 206 N HA 0.054 4.794 4.740 -0.001 0.000 0.212 206 N C -0.054 175.467 175.510 0.018 0.000 1.184 206 N CA -0.114 52.952 53.050 0.028 0.000 0.888 206 N CB 0.479 38.990 38.487 0.041 0.000 1.038 206 N HN 0.291 nan 8.380 nan 0.000 0.517 207 K N 1.503 121.912 120.400 0.014 0.000 2.762 207 K HA 0.280 4.600 4.320 -0.001 0.000 0.180 207 K C -2.041 174.563 176.600 0.007 0.000 1.067 207 K CA -1.602 54.694 56.287 0.014 0.000 0.973 207 K CB 1.989 34.503 32.500 0.024 0.000 1.290 207 K HN 0.035 nan 8.250 nan 0.000 0.604 208 P HA -0.195 nan 4.420 nan 0.000 0.220 208 P C 0.337 177.634 177.300 -0.006 0.000 1.144 208 P CA 1.345 64.436 63.100 -0.015 0.000 0.800 208 P CB 0.581 32.270 31.700 -0.018 0.000 0.772 209 E N -0.021 120.182 120.200 0.004 0.000 2.028 209 E HA -0.082 4.268 4.350 -0.001 0.000 0.190 209 E C 2.011 178.622 176.600 0.017 0.000 0.984 209 E CA 1.607 58.013 56.400 0.009 0.000 0.800 209 E CB -1.582 28.125 29.700 0.012 0.000 0.758 209 E HN 0.213 nan 8.360 nan 0.000 0.448 210 T N -0.601 113.969 114.554 0.026 0.000 3.088 210 T HA 0.162 4.512 4.350 -0.001 0.000 0.259 210 T C 1.296 176.022 174.700 0.042 0.000 1.122 210 T CA 0.576 62.702 62.100 0.042 0.000 1.095 210 T CB -0.151 68.748 68.868 0.051 0.000 0.930 210 T HN 0.432 nan 8.240 nan 0.000 0.508 211 G N 1.551 110.369 108.800 0.030 0.000 2.273 211 G HA2 0.001 3.960 3.960 -0.001 0.000 0.280 211 G HA3 0.001 3.960 3.960 -0.001 0.000 0.280 211 G C 0.077 175.033 174.900 0.094 0.000 1.047 211 G CA 0.130 45.251 45.100 0.034 0.000 0.869 211 G HN 0.940 nan 8.290 nan 0.000 0.502 212 A N -1.594 121.274 122.820 0.079 0.000 2.486 212 A HA 0.938 5.258 4.320 -0.001 0.000 0.289 212 A C -0.188 177.448 177.584 0.086 0.000 1.176 212 A CA -0.241 51.870 52.037 0.124 0.000 0.757 212 A CB 1.883 20.941 19.000 0.096 0.000 1.337 212 A HN 1.181 nan 8.150 nan 0.000 0.423 213 V N 0.647 120.630 119.914 0.115 0.000 2.532 213 V HA 0.577 4.697 4.120 -0.001 0.000 0.295 213 V C -0.054 176.072 176.094 0.055 0.000 1.041 213 V CA -0.324 62.028 62.300 0.086 0.000 0.926 213 V CB 1.411 33.302 31.823 0.113 0.000 0.992 213 V HN 0.897 nan 8.190 nan 0.000 0.457 214 E N 4.032 124.255 120.200 0.039 0.000 2.343 214 E HA 0.531 4.880 4.350 -0.001 0.000 0.260 214 E C -1.795 174.814 176.600 0.015 0.000 0.908 214 E CA -0.475 55.938 56.400 0.023 0.000 0.814 214 E CB 1.339 31.051 29.700 0.020 0.000 1.302 214 E HN 0.625 nan 8.360 nan 0.000 0.408 215 L N 3.290 124.517 121.223 0.006 0.000 2.329 215 L HA 0.545 4.884 4.340 -0.001 0.000 0.279 215 L C -0.167 176.694 176.870 -0.015 0.000 1.014 215 L CA -0.869 53.969 54.840 -0.002 0.000 0.814 215 L CB 1.846 43.902 42.059 -0.005 0.000 1.257 215 L HN 0.440 nan 8.230 nan 0.000 0.424 216 E N 1.280 121.466 120.200 -0.023 0.000 2.171 216 E HA 0.312 4.662 4.350 -0.001 0.000 0.271 216 E C -0.283 176.276 176.600 -0.069 0.000 0.916 216 E CA -0.627 55.751 56.400 -0.038 0.000 0.774 216 E CB 1.728 31.411 29.700 -0.028 0.000 1.128 216 E HN 0.619 nan 8.360 nan 0.000 0.403 217 S N 1.481 117.127 115.700 -0.090 0.000 3.614 217 S HA -0.125 4.344 4.470 -0.001 0.000 0.360 217 S C -2.016 172.439 174.600 -0.241 0.000 1.023 217 S CA 0.524 58.632 58.200 -0.153 0.000 1.114 217 S CB -1.393 61.721 63.200 -0.143 0.000 0.907 217 S HN 0.516 nan 8.310 nan 0.000 0.470 218 P HA 0.493 nan 4.420 nan 0.000 0.276 218 P C -0.147 177.005 177.300 -0.246 0.000 1.261 218 P CA -0.543 62.456 63.100 -0.168 0.000 0.800 218 P CB 0.505 32.177 31.700 -0.047 0.000 1.066 219 F N -0.308 119.643 119.950 0.002 0.000 2.425 219 F HA 0.457 4.982 4.527 -0.002 0.000 0.331 219 F C 0.752 176.553 175.800 0.002 0.000 1.085 219 F CA -0.483 57.518 58.000 0.002 0.000 1.028 219 F CB 0.924 39.924 39.000 0.000 0.000 1.177 219 F HN 0.026 nan 8.300 nan 0.000 0.487 220 I N 4.319 125.015 120.570 0.209 0.000 2.382 220 I HA 0.250 4.419 4.170 -0.001 0.000 0.286 220 I C -1.181 174.991 176.117 0.091 0.000 1.002 220 I CA -0.936 60.434 61.300 0.117 0.000 1.135 220 I CB 1.700 39.750 38.000 0.083 0.000 1.288 220 I HN 0.264 nan 8.210 nan 0.000 0.448 221 L N 8.403 129.664 121.223 0.062 0.000 2.260 221 L HA 0.442 4.782 4.340 -0.001 0.000 0.289 221 L C -0.831 176.052 176.870 0.021 0.000 1.057 221 L CA 0.069 54.929 54.840 0.033 0.000 0.811 221 L CB 0.613 42.684 42.059 0.021 0.000 1.184 221 L HN 0.460 nan 8.230 nan 0.000 0.429 222 L N 6.667 127.895 121.223 0.010 0.000 2.297 222 L HA 0.645 4.985 4.340 -0.001 0.000 0.277 222 L C -0.016 176.849 176.870 -0.008 0.000 1.040 222 L CA -0.413 54.423 54.840 -0.006 0.000 0.867 222 L CB 0.900 42.950 42.059 -0.015 0.000 1.244 222 L HN 0.785 nan 8.230 nan 0.000 0.433 223 A N 1.567 124.384 122.820 -0.005 0.000 2.267 223 A HA 0.348 4.668 4.320 -0.001 0.000 0.315 223 A C -0.431 177.150 177.584 -0.004 0.000 1.297 223 A CA -0.539 51.496 52.037 -0.003 0.000 0.865 223 A CB 0.690 19.692 19.000 0.004 0.000 1.165 223 A HN 0.649 nan 8.150 nan 0.000 0.513 224 D N 2.782 123.178 120.400 -0.008 0.000 2.455 224 D HA 0.425 5.064 4.640 -0.001 0.000 0.234 224 D C -0.166 176.135 176.300 0.002 0.000 1.224 224 D CA 0.383 54.379 54.000 -0.008 0.000 0.999 224 D CB -0.516 40.276 40.800 -0.014 0.000 1.072 224 D HN 0.623 nan 8.370 nan 0.000 0.514 225 K N 0.272 120.678 120.400 0.009 0.000 3.189 225 K HA 0.106 4.426 4.320 -0.001 0.000 0.368 225 K C -1.471 175.142 176.600 0.022 0.000 1.185 225 K CA -0.924 55.372 56.287 0.015 0.000 0.941 225 K CB -0.070 32.437 32.500 0.012 0.000 1.325 225 K HN -0.038 nan 8.250 nan 0.000 0.411 226 K N 1.879 122.295 120.400 0.027 0.000 2.382 226 K HA 0.344 4.664 4.320 -0.001 0.000 0.275 226 K C -0.269 176.349 176.600 0.030 0.000 1.009 226 K CA -0.170 56.136 56.287 0.033 0.000 0.970 226 K CB 0.407 32.928 32.500 0.034 0.000 0.934 226 K HN 0.450 nan 8.250 nan 0.000 0.479 227 I N 2.046 122.638 120.570 0.036 0.000 2.382 227 I HA 0.064 4.233 4.170 -0.001 0.000 0.285 227 I C 0.337 176.478 176.117 0.039 0.000 1.007 227 I CA -0.103 61.218 61.300 0.034 0.000 1.142 227 I CB 1.806 39.828 38.000 0.037 0.000 1.289 227 I HN 0.641 nan 8.210 nan 0.000 0.453 228 S N 3.729 119.448 115.700 0.032 0.000 2.524 228 S HA 0.241 4.710 4.470 -0.001 0.000 0.222 228 S C 0.376 174.992 174.600 0.028 0.000 1.040 228 S CA -0.121 58.098 58.200 0.032 0.000 0.915 228 S CB 0.220 63.435 63.200 0.026 0.000 0.831 228 S HN 0.601 nan 8.310 nan 0.000 0.492 229 N N 1.126 119.840 118.700 0.024 0.000 2.346 229 N HA 0.359 5.099 4.740 -0.001 0.000 0.289 229 N C -0.527 174.996 175.510 0.021 0.000 1.027 229 N CA -0.287 52.775 53.050 0.020 0.000 0.864 229 N CB 2.006 40.502 38.487 0.015 0.000 1.370 229 N HN 0.058 nan 8.380 nan 0.000 0.481 230 I N 1.736 122.319 120.570 0.022 0.000 3.555 230 I HA -0.037 4.132 4.170 -0.001 0.000 0.304 230 I C 2.057 178.183 176.117 0.014 0.000 1.246 230 I CA 0.427 61.740 61.300 0.022 0.000 1.220 230 I CB -0.033 37.983 38.000 0.026 0.000 1.001 230 I HN 0.411 nan 8.210 nan 0.000 0.513 231 R N 0.703 121.209 120.500 0.011 0.000 2.119 231 R HA -0.109 4.230 4.340 -0.001 0.000 0.222 231 R C 1.760 178.063 176.300 0.005 0.000 1.088 231 R CA 1.334 57.438 56.100 0.007 0.000 0.984 231 R CB 0.039 30.343 30.300 0.006 0.000 0.884 231 R HN 0.456 nan 8.270 nan 0.000 0.447 232 E N -0.282 119.922 120.200 0.006 0.000 2.285 232 E HA -0.098 4.251 4.350 -0.001 0.000 0.194 232 E C 1.725 178.326 176.600 0.001 0.000 0.997 232 E CA 0.593 56.995 56.400 0.003 0.000 0.845 232 E CB 0.132 29.835 29.700 0.005 0.000 0.782 232 E HN 0.297 nan 8.360 nan 0.000 0.491 233 M N 0.416 120.019 119.600 0.005 0.000 2.193 233 M HA -0.047 4.433 4.480 -0.001 0.000 0.265 233 M C 2.299 178.598 176.300 -0.002 0.000 1.071 233 M CA 1.069 56.371 55.300 0.004 0.000 1.140 233 M CB -0.859 31.750 32.600 0.014 0.000 1.369 233 M HN 0.158 nan 8.290 nan 0.000 0.423 234 L N 0.593 121.816 121.223 -0.000 0.000 2.064 234 L HA -0.293 4.047 4.340 -0.001 0.000 0.234 234 L C -0.211 176.652 176.870 -0.012 0.000 1.103 234 L CA 2.239 57.077 54.840 -0.004 0.000 0.824 234 L CB -2.822 39.236 42.059 -0.002 0.000 0.919 234 L HN 0.195 nan 8.230 nan 0.000 0.447 235 P HA -0.152 nan 4.420 nan 0.000 0.216 235 P C 1.756 179.034 177.300 -0.038 0.000 1.153 235 P CA 1.767 64.853 63.100 -0.025 0.000 0.858 235 P CB -0.006 31.681 31.700 -0.022 0.000 0.789 236 V N -0.406 119.485 119.914 -0.039 0.000 2.788 236 V HA -0.084 4.035 4.120 -0.001 0.000 0.251 236 V C 2.774 178.835 176.094 -0.056 0.000 1.068 236 V CA 0.928 63.193 62.300 -0.059 0.000 1.090 236 V CB -0.933 30.860 31.823 -0.050 0.000 0.710 236 V HN 0.005 nan 8.190 nan 0.000 0.467 237 L N -0.201 121.005 121.223 -0.028 0.000 2.109 237 L HA -0.114 4.226 4.340 -0.001 0.000 0.207 237 L C 2.540 179.400 176.870 -0.017 0.000 1.086 237 L CA 1.503 56.335 54.840 -0.013 0.000 0.760 237 L CB -0.365 41.696 42.059 0.003 0.000 0.910 237 L HN 0.398 nan 8.230 nan 0.000 0.437 238 E N 0.057 120.243 120.200 -0.023 0.000 2.152 238 E HA -0.129 4.220 4.350 -0.001 0.000 0.192 238 E C 2.240 178.819 176.600 -0.037 0.000 0.983 238 E CA 0.904 57.292 56.400 -0.021 0.000 0.818 238 E CB -0.075 29.614 29.700 -0.018 0.000 0.758 238 E HN 0.451 nan 8.360 nan 0.000 0.467 239 A N 0.964 123.744 122.820 -0.066 0.000 2.015 239 A HA -0.095 4.225 4.320 -0.001 0.000 0.219 239 A C 2.332 179.836 177.584 -0.135 0.000 1.163 239 A CA 0.884 52.859 52.037 -0.104 0.000 0.646 239 A CB -0.188 18.725 19.000 -0.144 0.000 0.806 239 A HN 0.105 nan 8.150 nan 0.000 0.448 240 V N -0.869 118.980 119.914 -0.107 0.000 2.878 240 V HA -0.029 4.090 4.120 -0.001 0.000 0.250 240 V C 2.837 178.953 176.094 0.036 0.000 1.075 240 V CA 1.211 63.480 62.300 -0.051 0.000 1.096 240 V CB -0.533 31.286 31.823 -0.007 0.000 0.724 240 V HN 0.563 nan 8.190 nan 0.000 0.467 241 A N -0.450 122.379 122.820 0.015 0.000 1.969 241 A HA -0.093 4.226 4.320 -0.001 0.000 0.218 241 A C 1.425 179.028 177.584 0.032 0.000 1.169 241 A CA 1.016 53.070 52.037 0.028 0.000 0.635 241 A CB -0.185 18.824 19.000 0.015 0.000 0.810 241 A HN 0.478 nan 8.150 nan 0.000 0.445 242 K N -1.723 118.688 120.400 0.018 0.000 2.185 242 K HA 0.435 4.754 4.320 -0.001 0.000 0.271 242 K C 0.813 177.448 176.600 0.059 0.000 1.013 242 K CA 0.401 56.703 56.287 0.024 0.000 0.943 242 K CB 0.659 33.160 32.500 0.002 0.000 0.998 242 K HN 0.669 nan 8.250 nan 0.000 0.468 243 A N 1.951 124.814 122.820 0.072 0.000 3.601 243 A HA -0.178 4.141 4.320 -0.001 0.000 0.266 243 A C 1.021 178.676 177.584 0.118 0.000 1.077 243 A CA 1.116 53.223 52.037 0.116 0.000 1.228 243 A CB -2.416 16.709 19.000 0.209 0.000 1.099 243 A HN 1.316 nan 8.150 nan 0.000 0.916 244 G N -0.594 108.263 108.800 0.094 0.000 2.441 244 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.298 244 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.298 244 G C 0.009 174.961 174.900 0.087 0.000 0.949 244 G CA 1.602 46.748 45.100 0.078 0.000 1.072 244 G HN 1.091 nan 8.290 nan 0.000 0.512 245 K N 0.328 120.816 120.400 0.147 0.000 2.221 245 K HA 0.559 4.879 4.320 -0.001 0.000 0.243 245 K C -2.144 174.537 176.600 0.136 0.000 0.968 245 K CA -2.025 54.331 56.287 0.115 0.000 0.846 245 K CB 2.451 35.001 32.500 0.083 0.000 1.141 245 K HN 0.081 nan 8.250 nan 0.000 0.434 246 P HA 0.204 nan 4.420 nan 0.000 0.276 246 P C -1.286 176.080 177.300 0.110 0.000 1.261 246 P CA -0.553 62.589 63.100 0.070 0.000 0.800 246 P CB 0.785 32.501 31.700 0.026 0.000 1.066 247 L N 1.407 122.678 121.223 0.080 0.000 2.410 247 L HA 0.539 4.878 4.340 -0.001 0.000 0.270 247 L C -1.537 175.343 176.870 0.017 0.000 0.983 247 L CA -0.963 53.930 54.840 0.088 0.000 0.822 247 L CB 1.731 43.842 42.059 0.086 0.000 1.285 247 L HN 0.162 nan 8.230 nan 0.000 0.409 248 L N 6.152 127.392 121.223 0.029 0.000 2.294 248 L HA 0.606 4.945 4.340 -0.001 0.000 0.283 248 L C -1.170 175.705 176.870 0.010 0.000 1.015 248 L CA -0.204 54.633 54.840 -0.005 0.000 0.831 248 L CB 0.986 43.060 42.059 0.024 0.000 1.217 248 L HN 0.437 nan 8.230 nan 0.000 0.420 249 I N 6.938 127.493 120.570 -0.026 0.000 2.325 249 I HA 0.273 4.442 4.170 -0.001 0.000 0.291 249 I C -0.035 176.098 176.117 0.027 0.000 1.019 249 I CA -0.115 61.185 61.300 0.000 0.000 1.302 249 I CB 1.002 38.995 38.000 -0.011 0.000 1.401 249 I HN 0.577 nan 8.210 nan 0.000 0.485 250 I N 6.170 126.764 120.570 0.039 0.000 2.502 250 I HA 0.479 4.649 4.170 -0.001 0.000 0.276 250 I C 0.265 176.394 176.117 0.019 0.000 1.057 250 I CA -0.184 61.145 61.300 0.049 0.000 1.163 250 I CB 1.150 39.169 38.000 0.032 0.000 1.288 250 I HN 0.644 nan 8.210 nan 0.000 0.479 251 A N 3.971 126.810 122.820 0.032 0.000 2.389 251 A HA 0.459 4.779 4.320 -0.001 0.000 0.293 251 A C 0.981 178.584 177.584 0.032 0.000 1.186 251 A CA -0.509 51.543 52.037 0.024 0.000 0.828 251 A CB 1.286 20.304 19.000 0.030 0.000 1.369 251 A HN 0.674 nan 8.150 nan 0.000 0.446 252 E N -0.769 119.449 120.200 0.029 0.000 2.118 252 E HA -0.157 4.192 4.350 -0.001 0.000 0.195 252 E C -0.369 176.264 176.600 0.054 0.000 0.992 252 E CA 1.692 58.115 56.400 0.039 0.000 0.804 252 E CB 0.147 29.868 29.700 0.036 0.000 0.741 252 E HN 0.597 nan 8.360 nan 0.000 0.458 253 D N -2.252 118.181 120.400 0.054 0.000 2.912 253 D HA 0.102 4.741 4.640 -0.001 0.000 0.263 253 D C -1.953 174.387 176.300 0.066 0.000 1.152 253 D CA -0.472 53.568 54.000 0.065 0.000 0.728 253 D CB 1.586 42.423 40.800 0.061 0.000 1.337 253 D HN -0.142 nan 8.370 nan 0.000 0.435 254 V N 2.493 122.457 119.914 0.083 0.000 2.409 254 V HA 0.464 4.583 4.120 -0.001 0.000 0.290 254 V C -0.138 176.011 176.094 0.090 0.000 1.017 254 V CA -0.594 61.759 62.300 0.088 0.000 0.841 254 V CB 1.460 33.350 31.823 0.113 0.000 1.003 254 V HN 0.399 nan 8.190 nan 0.000 0.426 255 E N 2.472 122.714 120.200 0.069 0.000 2.222 255 E HA 0.624 4.973 4.350 -0.001 0.000 0.267 255 E C 1.201 177.832 176.600 0.051 0.000 0.963 255 E CA -0.146 56.290 56.400 0.059 0.000 0.837 255 E CB 1.841 31.569 29.700 0.046 0.000 1.183 255 E HN 0.705 nan 8.360 nan 0.000 0.403 256 G N 1.962 110.787 108.800 0.042 0.000 3.087 256 G HA2 -0.485 3.474 3.960 -0.001 0.000 0.316 256 G HA3 -0.485 3.474 3.960 -0.001 0.000 0.316 256 G C 1.247 176.163 174.900 0.026 0.000 0.941 256 G CA 1.279 46.397 45.100 0.029 0.000 0.798 256 G HN 0.708 nan 8.290 nan 0.000 1.045 257 E N 0.901 121.113 120.200 0.021 0.000 2.095 257 E HA -0.295 4.055 4.350 -0.001 0.000 0.212 257 E C 2.990 179.605 176.600 0.026 0.000 1.044 257 E CA 2.589 58.999 56.400 0.018 0.000 0.857 257 E CB -0.814 28.895 29.700 0.016 0.000 0.764 257 E HN 0.654 nan 8.360 nan 0.000 0.462 258 A N 0.780 123.622 122.820 0.037 0.000 1.873 258 A HA -0.162 4.158 4.320 -0.001 0.000 0.215 258 A C 2.272 179.901 177.584 0.075 0.000 1.186 258 A CA 1.548 53.615 52.037 0.051 0.000 0.616 258 A CB -0.740 18.291 19.000 0.053 0.000 0.823 258 A HN 0.337 nan 8.150 nan 0.000 0.442 259 L N -0.132 121.143 121.223 0.086 0.000 2.046 259 L HA -0.061 4.279 4.340 -0.001 0.000 0.208 259 L C 2.615 179.526 176.870 0.070 0.000 1.077 259 L CA 2.237 57.151 54.840 0.124 0.000 0.747 259 L CB -0.853 41.277 42.059 0.119 0.000 0.896 259 L HN 0.344 nan 8.230 nan 0.000 0.432 260 A N -1.749 121.085 122.820 0.022 0.000 1.898 260 A HA -0.168 4.151 4.320 -0.001 0.000 0.216 260 A C 2.236 179.803 177.584 -0.029 0.000 1.181 260 A CA 2.113 54.132 52.037 -0.029 0.000 0.620 260 A CB -1.119 17.864 19.000 -0.029 0.000 0.819 260 A HN 0.503 nan 8.150 nan 0.000 0.442 261 T N 0.456 115.014 114.554 0.007 0.000 2.867 261 T HA -0.027 4.323 4.350 -0.001 0.000 0.268 261 T C 1.757 176.480 174.700 0.038 0.000 1.057 261 T CA 1.324 63.431 62.100 0.012 0.000 1.136 261 T CB -0.305 68.576 68.868 0.021 0.000 0.874 261 T HN 0.369 nan 8.240 nan 0.000 0.466 262 L N 0.551 121.829 121.223 0.092 0.000 2.072 262 L HA -0.017 4.322 4.340 -0.001 0.000 0.205 262 L C 2.633 179.616 176.870 0.188 0.000 1.079 262 L CA 0.704 55.655 54.840 0.185 0.000 0.752 262 L CB -0.656 41.588 42.059 0.309 0.000 0.906 262 L HN 0.117 nan 8.230 nan 0.000 0.436 263 V N -0.511 119.412 119.914 0.015 0.000 2.469 263 V HA -0.237 3.883 4.120 -0.001 0.000 0.251 263 V C 2.321 178.307 176.094 -0.181 0.000 1.064 263 V CA 1.357 63.504 62.300 -0.254 0.000 1.066 263 V CB -0.199 31.387 31.823 -0.395 0.000 0.667 263 V HN 0.187 nan 8.190 nan 0.000 0.461 264 V N 0.110 119.955 119.914 -0.114 0.000 2.249 264 V HA -0.203 3.917 4.120 -0.001 0.000 0.239 264 V C 2.071 178.145 176.094 -0.034 0.000 1.038 264 V CA 2.264 64.505 62.300 -0.099 0.000 1.005 264 V CB -0.904 30.870 31.823 -0.081 0.000 0.646 264 V HN 0.556 nan 8.190 nan 0.000 0.455 265 N N 0.523 119.224 118.700 0.003 0.000 2.091 265 N HA -0.243 4.496 4.740 -0.001 0.000 0.193 265 N C 1.847 177.383 175.510 0.044 0.000 1.021 265 N CA 2.032 55.096 53.050 0.024 0.000 0.862 265 N CB -0.212 38.297 38.487 0.037 0.000 1.018 265 N HN 0.714 nan 8.380 nan 0.000 0.429 266 T N -1.214 113.388 114.554 0.080 0.000 2.951 266 T HA -0.052 4.297 4.350 -0.001 0.000 0.268 266 T C 1.601 176.347 174.700 0.076 0.000 1.073 266 T CA 0.512 62.678 62.100 0.108 0.000 1.134 266 T CB -0.090 68.908 68.868 0.217 0.000 0.884 266 T HN 0.137 nan 8.240 nan 0.000 0.479 267 M N 0.377 119.998 119.600 0.034 0.000 2.628 267 M HA 0.283 4.762 4.480 -0.001 0.000 0.232 267 M C 1.326 177.627 176.300 0.001 0.000 1.128 267 M CA 0.403 55.707 55.300 0.006 0.000 1.040 267 M CB -0.056 32.503 32.600 -0.068 0.000 1.608 267 M HN 0.098 nan 8.290 nan 0.000 0.507 268 R N -1.374 119.131 120.500 0.009 0.000 2.572 268 R HA 0.269 4.608 4.340 -0.001 0.000 0.370 268 R C 0.959 177.268 176.300 0.015 0.000 1.005 268 R CA 0.458 56.561 56.100 0.005 0.000 1.146 268 R CB 0.766 31.064 30.300 -0.003 0.000 1.390 268 R HN 0.492 nan 8.270 nan 0.000 0.553 269 G N 1.716 110.531 108.800 0.026 0.000 2.189 269 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.267 269 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.267 269 G C 0.425 175.342 174.900 0.029 0.000 0.975 269 G CA 0.176 45.293 45.100 0.028 0.000 0.644 269 G HN 0.327 nan 8.290 nan 0.000 0.537 270 I N 1.447 122.033 120.570 0.028 0.000 2.426 270 I HA 0.374 4.543 4.170 -0.001 0.000 0.282 270 I C 0.564 176.704 176.117 0.037 0.000 1.064 270 I CA -0.214 61.102 61.300 0.027 0.000 2.047 270 I CB -0.410 37.602 38.000 0.021 0.000 1.497 270 I HN 0.136 nan 8.210 nan 0.000 0.899 271 V N 2.146 122.086 119.914 0.042 0.000 3.264 271 V HA -0.184 3.936 4.120 -0.001 0.000 0.470 271 V C -0.094 176.038 176.094 0.063 0.000 0.682 271 V CA -0.255 62.076 62.300 0.051 0.000 2.011 271 V CB -0.716 31.137 31.823 0.049 0.000 2.470 271 V HN 0.589 nan 8.190 nan 0.000 0.498 272 K N 3.899 124.337 120.400 0.062 0.000 2.312 272 K HA 0.712 5.032 4.320 -0.001 0.000 0.287 272 K C -0.386 176.249 176.600 0.057 0.000 1.062 272 K CA -0.110 56.218 56.287 0.068 0.000 0.934 272 K CB 1.385 33.918 32.500 0.054 0.000 1.027 272 K HN 0.587 nan 8.250 nan 0.000 0.478 273 V N 1.161 121.113 119.914 0.062 0.000 3.007 273 V HA 0.863 4.983 4.120 -0.001 0.000 0.311 273 V C -1.006 174.946 176.094 -0.236 0.000 1.120 273 V CA -1.162 61.124 62.300 -0.024 0.000 0.980 273 V CB 2.156 33.990 31.823 0.018 0.000 1.033 273 V HN 0.748 nan 8.190 nan 0.000 0.429 274 A N 2.129 124.681 122.820 -0.446 0.000 2.488 274 A HA 0.986 5.306 4.320 -0.001 0.000 0.298 274 A C -0.684 176.508 177.584 -0.652 0.000 1.044 274 A CA -0.112 51.363 52.037 -0.936 0.000 0.693 274 A CB 1.822 20.569 19.000 -0.421 0.000 1.272 274 A HN 1.683 nan 8.150 nan 0.000 0.402 275 A N 1.083 123.436 122.820 -0.778 0.000 2.365 275 A HA 0.895 5.215 4.320 -0.001 0.000 0.318 275 A C -0.349 177.220 177.584 -0.025 0.000 1.091 275 A CA -0.116 51.790 52.037 -0.218 0.000 0.763 275 A CB 1.346 20.308 19.000 -0.062 0.000 1.248 275 A HN 2.327 nan 8.150 nan 0.000 0.442 276 V N -0.751 119.196 119.914 0.055 0.000 3.012 276 V HA 0.599 4.718 4.120 -0.001 0.000 0.307 276 V C -0.587 175.596 176.094 0.149 0.000 1.166 276 V CA -1.240 61.133 62.300 0.121 0.000 0.974 276 V CB 1.458 33.362 31.823 0.135 0.000 1.040 276 V HN 0.884 nan 8.190 nan 0.000 0.428 277 K N 2.010 122.501 120.400 0.152 0.000 2.319 277 K HA 0.647 4.966 4.320 -0.001 0.000 0.265 277 K C 0.447 177.140 176.600 0.154 0.000 1.000 277 K CA 0.325 56.691 56.287 0.131 0.000 0.943 277 K CB 1.115 33.684 32.500 0.115 0.000 0.950 277 K HN 1.140 nan 8.250 nan 0.000 0.485 278 A N 3.699 126.557 122.820 0.063 0.000 2.407 278 A HA 0.238 4.558 4.320 -0.001 0.000 0.248 278 A C -2.047 175.528 177.584 -0.015 0.000 1.082 278 A CA -1.269 50.739 52.037 -0.047 0.000 0.785 278 A CB -0.300 18.660 19.000 -0.066 0.000 1.020 278 A HN 0.472 nan 8.150 nan 0.000 0.489 279 P HA 0.315 nan 4.420 nan 0.000 0.269 279 P C 0.736 178.056 177.300 0.034 0.000 1.209 279 P CA 1.499 64.607 63.100 0.014 0.000 0.776 279 P CB 0.470 32.113 31.700 -0.096 0.000 0.876 280 G N 2.093 110.961 108.800 0.115 0.000 2.697 280 G HA2 -0.089 3.871 3.960 -0.001 0.000 0.240 280 G HA3 -0.089 3.871 3.960 -0.001 0.000 0.240 280 G C -0.730 174.315 174.900 0.242 0.000 1.346 280 G CA 0.123 45.322 45.100 0.165 0.000 0.887 280 G HN 0.770 nan 8.290 nan 0.000 0.569 281 F N -2.325 117.638 119.950 0.022 0.000 2.664 281 F HA 0.820 5.346 4.527 -0.001 0.000 0.317 281 F C 1.029 176.841 175.800 0.019 0.000 1.108 281 F CA 0.222 58.235 58.000 0.020 0.000 0.957 281 F CB 0.931 39.947 39.000 0.028 0.000 1.365 281 F HN 2.465 nan 8.300 nan 0.000 0.475 282 G N 1.370 110.131 108.800 -0.066 0.000 2.582 282 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.288 282 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.288 282 G C 0.363 175.158 174.900 -0.176 0.000 1.247 282 G CA 0.702 45.695 45.100 -0.178 0.000 0.972 282 G HN 0.877 nan 8.290 nan 0.000 0.557 283 D N 1.058 121.342 120.400 -0.194 0.000 2.078 283 D HA -0.115 4.524 4.640 -0.001 0.000 0.193 283 D C 2.505 178.720 176.300 -0.142 0.000 0.990 283 D CA 1.813 55.733 54.000 -0.132 0.000 0.827 283 D CB -0.376 40.360 40.800 -0.107 0.000 0.975 283 D HN 0.731 nan 8.370 nan 0.000 0.451 284 R N 1.210 121.596 120.500 -0.191 0.000 2.316 284 R HA -0.095 4.244 4.340 -0.001 0.000 0.232 284 R C 2.085 178.305 176.300 -0.132 0.000 1.137 284 R CA 1.081 57.086 56.100 -0.159 0.000 1.012 284 R CB -0.381 29.811 30.300 -0.179 0.000 0.859 284 R HN 0.117 nan 8.270 nan 0.000 0.474 285 R N 1.501 121.920 120.500 -0.135 0.000 2.127 285 R HA 0.001 4.340 4.340 -0.001 0.000 0.217 285 R C 1.301 177.553 176.300 -0.080 0.000 1.074 285 R CA 1.091 57.140 56.100 -0.084 0.000 0.991 285 R CB 0.101 30.377 30.300 -0.039 0.000 0.895 285 R HN 0.273 nan 8.270 nan 0.000 0.450 286 K N 0.056 120.411 120.400 -0.075 0.000 2.167 286 K HA 0.039 4.359 4.320 -0.001 0.000 0.203 286 K C 2.068 178.628 176.600 -0.067 0.000 1.052 286 K CA 0.958 57.208 56.287 -0.062 0.000 0.956 286 K CB 0.040 32.510 32.500 -0.050 0.000 0.735 286 K HN 0.154 nan 8.250 nan 0.000 0.451 287 A N 1.695 124.471 122.820 -0.074 0.000 1.858 287 A HA -0.151 4.168 4.320 -0.001 0.000 0.216 287 A C 2.175 179.713 177.584 -0.077 0.000 1.190 287 A CA 1.459 53.454 52.037 -0.070 0.000 0.617 287 A CB -0.470 18.486 19.000 -0.073 0.000 0.827 287 A HN 0.148 nan 8.150 nan 0.000 0.443 288 M N -0.784 118.760 119.600 -0.092 0.000 2.159 288 M HA -0.058 4.421 4.480 -0.001 0.000 0.263 288 M C 2.158 178.375 176.300 -0.138 0.000 1.063 288 M CA 1.120 56.353 55.300 -0.113 0.000 1.110 288 M CB -0.394 32.128 32.600 -0.129 0.000 1.374 288 M HN 0.404 nan 8.290 nan 0.000 0.411 289 L N 0.042 121.187 121.223 -0.130 0.000 2.127 289 L HA -0.258 4.081 4.340 -0.001 0.000 0.211 289 L C 2.630 179.444 176.870 -0.093 0.000 1.089 289 L CA 1.307 56.069 54.840 -0.130 0.000 0.757 289 L CB -0.265 41.737 42.059 -0.096 0.000 0.899 289 L HN 0.336 nan 8.230 nan 0.000 0.434 290 Q N 0.152 119.908 119.800 -0.073 0.000 2.083 290 Q HA -0.198 4.141 4.340 -0.001 0.000 0.198 290 Q C 1.591 177.561 176.000 -0.050 0.000 0.969 290 Q CA 1.806 57.578 55.803 -0.052 0.000 0.838 290 Q CB -0.094 28.618 28.738 -0.044 0.000 0.900 290 Q HN 0.380 nan 8.270 nan 0.000 0.436 291 D N -0.027 120.337 120.400 -0.060 0.000 2.106 291 D HA -0.183 4.456 4.640 -0.001 0.000 0.191 291 D C 1.773 178.045 176.300 -0.047 0.000 0.997 291 D CA 1.692 55.662 54.000 -0.050 0.000 0.834 291 D CB -0.242 40.524 40.800 -0.057 0.000 0.956 291 D HN 0.365 nan 8.370 nan 0.000 0.448 292 I N 0.688 121.213 120.570 -0.074 0.000 2.264 292 I HA -0.282 3.888 4.170 -0.001 0.000 0.248 292 I C 2.410 178.509 176.117 -0.030 0.000 1.111 292 I CA 1.031 62.294 61.300 -0.062 0.000 1.382 292 I CB -0.347 37.578 38.000 -0.126 0.000 1.060 292 I HN -0.036 nan 8.210 nan 0.000 0.418 293 A N 0.798 123.598 122.820 -0.034 0.000 1.858 293 A HA -0.213 4.106 4.320 -0.001 0.000 0.216 293 A C 2.414 179.994 177.584 -0.007 0.000 1.190 293 A CA 2.581 54.608 52.037 -0.016 0.000 0.617 293 A CB -1.186 17.802 19.000 -0.020 0.000 0.827 293 A HN 0.385 nan 8.150 nan 0.000 0.443 294 T N 0.572 115.118 114.554 -0.012 0.000 2.684 294 T HA -0.150 4.200 4.350 -0.001 0.000 0.267 294 T C 1.858 176.557 174.700 -0.001 0.000 1.036 294 T CA 1.362 63.458 62.100 -0.007 0.000 1.148 294 T CB -0.372 68.489 68.868 -0.012 0.000 0.863 294 T HN 0.325 nan 8.240 nan 0.000 0.436 295 L N 1.895 123.117 121.223 -0.001 0.000 2.046 295 L HA -0.088 4.251 4.340 -0.001 0.000 0.208 295 L C 2.407 179.283 176.870 0.011 0.000 1.077 295 L CA 2.520 57.364 54.840 0.006 0.000 0.747 295 L CB -1.438 40.627 42.059 0.010 0.000 0.896 295 L HN 0.478 nan 8.230 nan 0.000 0.432 296 T N -3.665 110.898 114.554 0.014 0.000 3.081 296 T HA 0.219 4.569 4.350 -0.001 0.000 0.250 296 T C 1.272 175.987 174.700 0.025 0.000 1.100 296 T CA 0.450 62.563 62.100 0.021 0.000 1.038 296 T CB -0.201 68.686 68.868 0.031 0.000 0.962 296 T HN 0.612 nan 8.240 nan 0.000 0.516 297 G N 0.483 109.294 108.800 0.019 0.000 2.256 297 G HA2 0.097 4.057 3.960 -0.001 0.000 0.272 297 G HA3 0.097 4.057 3.960 -0.001 0.000 0.272 297 G C 0.249 175.168 174.900 0.031 0.000 1.076 297 G CA -0.192 44.921 45.100 0.022 0.000 0.882 297 G HN 1.049 nan 8.290 nan 0.000 0.497 298 G N -1.641 107.174 108.800 0.026 0.000 2.735 298 G HA2 0.818 4.778 3.960 -0.001 0.000 0.301 298 G HA3 0.818 4.778 3.960 -0.001 0.000 0.301 298 G C -0.518 174.390 174.900 0.013 0.000 1.279 298 G CA 0.077 45.195 45.100 0.029 0.000 1.019 298 G HN 0.657 nan 8.290 nan 0.000 0.497 299 T N 0.474 115.033 114.554 0.009 0.000 2.786 299 T HA 0.420 4.770 4.350 -0.001 0.000 0.283 299 T C -0.006 174.691 174.700 -0.005 0.000 0.992 299 T CA -0.268 61.832 62.100 -0.001 0.000 0.954 299 T CB 1.606 70.473 68.868 -0.002 0.000 0.934 299 T HN 0.345 nan 8.240 nan 0.000 0.440 300 V N 4.978 124.885 119.914 -0.011 0.000 2.479 300 V HA 0.191 4.310 4.120 -0.001 0.000 0.281 300 V C 0.496 176.583 176.094 -0.013 0.000 1.031 300 V CA -0.189 62.102 62.300 -0.015 0.000 1.038 300 V CB 0.064 31.873 31.823 -0.023 0.000 0.981 300 V HN 0.785 nan 8.190 nan 0.000 0.478 301 I N 5.645 126.209 120.570 -0.011 0.000 2.276 301 I HA 0.204 4.374 4.170 -0.001 0.000 0.290 301 I C 0.587 176.699 176.117 -0.008 0.000 1.109 301 I CA 0.176 61.471 61.300 -0.009 0.000 1.229 301 I CB 0.458 38.453 38.000 -0.008 0.000 1.452 301 I HN 0.714 nan 8.210 nan 0.000 0.497 302 S N 3.035 118.730 115.700 -0.009 0.000 2.525 302 S HA 0.351 4.821 4.470 -0.001 0.000 0.290 302 S C 0.689 175.286 174.600 -0.005 0.000 1.152 302 S CA -0.819 57.377 58.200 -0.008 0.000 1.072 302 S CB 1.999 65.193 63.200 -0.011 0.000 1.027 302 S HN 0.564 nan 8.310 nan 0.000 0.500 303 E N 1.703 121.901 120.200 -0.002 0.000 2.150 303 E HA -0.147 4.202 4.350 -0.001 0.000 0.193 303 E C 1.515 178.114 176.600 -0.002 0.000 0.985 303 E CA 1.064 57.463 56.400 -0.001 0.000 0.814 303 E CB -0.077 29.625 29.700 0.002 0.000 0.752 303 E HN 0.805 nan 8.360 nan 0.000 0.466 304 E N 1.019 121.217 120.200 -0.003 0.000 2.035 304 E HA -0.219 4.130 4.350 -0.001 0.000 0.204 304 E C 1.944 178.542 176.600 -0.004 0.000 1.025 304 E CA 1.228 57.626 56.400 -0.003 0.000 0.835 304 E CB -0.257 29.440 29.700 -0.005 0.000 0.764 304 E HN 0.295 nan 8.360 nan 0.000 0.457 305 I N 0.417 120.984 120.570 -0.006 0.000 3.241 305 I HA -0.067 4.103 4.170 -0.001 0.000 0.280 305 I C 1.038 177.152 176.117 -0.005 0.000 1.320 305 I CA 0.596 61.892 61.300 -0.006 0.000 1.413 305 I CB -0.713 37.283 38.000 -0.007 0.000 1.060 305 I HN 0.301 nan 8.210 nan 0.000 0.500 306 G N 1.676 110.474 108.800 -0.004 0.000 2.248 306 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.263 306 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.263 306 G C 0.010 174.907 174.900 -0.004 0.000 1.082 306 G CA -0.188 44.910 45.100 -0.003 0.000 0.863 306 G HN 0.287 nan 8.290 nan 0.000 0.495 307 M N -0.529 119.068 119.600 -0.005 0.000 2.573 307 M HA 0.644 5.123 4.480 -0.001 0.000 0.309 307 M C 0.271 176.568 176.300 -0.005 0.000 1.202 307 M CA -0.398 54.898 55.300 -0.006 0.000 0.975 307 M CB 1.622 34.218 32.600 -0.007 0.000 1.600 307 M HN 0.232 nan 8.290 nan 0.000 0.479 308 E N 0.860 121.057 120.200 -0.006 0.000 2.272 308 E HA 0.304 4.654 4.350 -0.001 0.000 0.269 308 E C 0.077 176.673 176.600 -0.008 0.000 0.877 308 E CA -0.460 55.937 56.400 -0.006 0.000 0.755 308 E CB 2.428 32.125 29.700 -0.005 0.000 1.192 308 E HN 0.631 nan 8.360 nan 0.000 0.422 309 L N 1.553 122.772 121.223 -0.006 0.000 2.131 309 L HA -0.191 4.148 4.340 -0.001 0.000 0.210 309 L C 1.528 178.390 176.870 -0.013 0.000 1.092 309 L CA 1.296 56.130 54.840 -0.009 0.000 0.759 309 L CB -0.233 41.823 42.059 -0.004 0.000 0.903 309 L HN 0.560 nan 8.230 nan 0.000 0.435 310 E N 0.312 120.506 120.200 -0.010 0.000 2.268 310 E HA -0.155 4.194 4.350 -0.001 0.000 0.195 310 E C 1.320 177.911 176.600 -0.016 0.000 0.995 310 E CA 0.916 57.309 56.400 -0.012 0.000 0.836 310 E CB -0.008 29.688 29.700 -0.008 0.000 0.763 310 E HN 0.352 nan 8.360 nan 0.000 0.491 311 K N 0.108 120.499 120.400 -0.015 0.000 2.493 311 K HA 0.363 4.683 4.320 -0.001 0.000 0.207 311 K C -0.333 176.254 176.600 -0.022 0.000 1.033 311 K CA -0.190 56.086 56.287 -0.017 0.000 1.161 311 K CB 1.101 33.593 32.500 -0.013 0.000 0.873 311 K HN -0.018 nan 8.250 nan 0.000 0.491 312 A N 1.572 124.376 122.820 -0.026 0.000 2.290 312 A HA 0.383 4.703 4.320 -0.001 0.000 0.310 312 A C 0.302 177.856 177.584 -0.050 0.000 1.202 312 A CA -0.455 51.562 52.037 -0.034 0.000 0.837 312 A CB 0.430 19.411 19.000 -0.031 0.000 1.139 312 A HN 0.221 nan 8.150 nan 0.000 0.509 313 T N 0.034 114.554 114.554 -0.057 0.000 2.949 313 T HA 0.515 4.864 4.350 -0.001 0.000 0.287 313 T C 1.181 175.810 174.700 -0.117 0.000 1.034 313 T CA -0.789 61.263 62.100 -0.079 0.000 1.018 313 T CB 0.647 69.479 68.868 -0.059 0.000 1.135 313 T HN 0.356 nan 8.240 nan 0.000 0.532 314 L N 0.132 121.248 121.223 -0.178 0.000 2.137 314 L HA -0.157 4.182 4.340 -0.001 0.000 0.213 314 L C 2.934 179.717 176.870 -0.145 0.000 1.085 314 L CA 1.920 56.583 54.840 -0.296 0.000 0.760 314 L CB -0.601 41.228 42.059 -0.382 0.000 0.893 314 L HN 0.906 nan 8.230 nan 0.000 0.434 315 E N 0.202 120.359 120.200 -0.072 0.000 2.160 315 E HA -0.260 4.090 4.350 -0.001 0.000 0.195 315 E C 1.478 178.076 176.600 -0.004 0.000 0.991 315 E CA 1.490 57.880 56.400 -0.017 0.000 0.810 315 E CB 0.107 29.798 29.700 -0.015 0.000 0.742 315 E HN 0.510 nan 8.360 nan 0.000 0.466 316 D N -0.039 120.348 120.400 -0.021 0.000 2.234 316 D HA -0.059 4.581 4.640 -0.001 0.000 0.205 316 D C 0.248 176.554 176.300 0.010 0.000 0.962 316 D CA 0.251 54.247 54.000 -0.008 0.000 0.855 316 D CB 0.094 40.883 40.800 -0.019 0.000 0.951 316 D HN 0.126 nan 8.370 nan 0.000 0.500 317 L N 1.052 122.279 121.223 0.007 0.000 2.456 317 L HA 0.207 4.546 4.340 -0.001 0.000 0.272 317 L C 1.441 178.393 176.870 0.136 0.000 1.189 317 L CA 0.249 55.128 54.840 0.066 0.000 0.846 317 L CB 0.515 42.599 42.059 0.041 0.000 1.111 317 L HN -0.160 nan 8.230 nan 0.000 0.475 318 G N 1.544 110.421 108.800 0.129 0.000 2.557 318 G HA2 0.525 4.484 3.960 -0.001 0.000 0.292 318 G HA3 0.525 4.484 3.960 -0.001 0.000 0.292 318 G C -0.980 173.999 174.900 0.131 0.000 1.237 318 G CA -0.240 44.923 45.100 0.105 0.000 0.978 318 G HN 0.567 nan 8.290 nan 0.000 0.498 319 Q N -1.710 118.125 119.800 0.058 0.000 2.391 319 Q HA 0.592 4.932 4.340 -0.001 0.000 0.279 319 Q C -1.200 174.782 176.000 -0.030 0.000 1.028 319 Q CA -0.680 55.114 55.803 -0.014 0.000 0.836 319 Q CB 2.252 30.965 28.738 -0.043 0.000 1.414 319 Q HN 1.019 nan 8.270 nan 0.000 0.397 320 A N 2.146 124.929 122.820 -0.062 0.000 2.594 320 A HA 0.412 4.731 4.320 -0.001 0.000 0.295 320 A C -0.581 176.965 177.584 -0.063 0.000 1.071 320 A CA -0.622 51.391 52.037 -0.042 0.000 0.685 320 A CB 1.571 20.564 19.000 -0.011 0.000 1.285 320 A HN 0.822 nan 8.150 nan 0.000 0.405 321 K N -0.392 119.980 120.400 -0.046 0.000 2.148 321 K HA -0.032 4.287 4.320 -0.001 0.000 0.204 321 K C 0.714 177.289 176.600 -0.042 0.000 1.050 321 K CA 1.452 57.711 56.287 -0.048 0.000 0.942 321 K CB 0.106 32.586 32.500 -0.033 0.000 0.724 321 K HN 0.564 nan 8.250 nan 0.000 0.446 322 R N -0.203 120.279 120.500 -0.029 0.000 2.633 322 R HA 0.150 4.490 4.340 -0.001 0.000 0.255 322 R C -1.948 174.345 176.300 -0.011 0.000 1.106 322 R CA -0.539 55.548 56.100 -0.021 0.000 0.959 322 R CB 1.596 31.886 30.300 -0.017 0.000 1.259 322 R HN -0.046 nan 8.270 nan 0.000 0.453 323 V N 0.617 120.526 119.914 -0.008 0.000 2.823 323 V HA 0.889 5.009 4.120 -0.001 0.000 0.312 323 V C -1.217 174.873 176.094 -0.007 0.000 1.072 323 V CA -0.646 61.651 62.300 -0.004 0.000 0.937 323 V CB 2.175 34.002 31.823 0.005 0.000 1.013 323 V HN 0.432 nan 8.190 nan 0.000 0.430 324 V N 4.995 124.899 119.914 -0.017 0.000 2.638 324 V HA 0.593 4.712 4.120 -0.001 0.000 0.306 324 V C -0.410 175.667 176.094 -0.029 0.000 1.052 324 V CA -0.329 61.965 62.300 -0.008 0.000 0.885 324 V CB 1.678 33.500 31.823 -0.002 0.000 0.999 324 V HN 0.869 nan 8.190 nan 0.000 0.424 325 I N 4.153 124.729 120.570 0.011 0.000 2.465 325 I HA 0.511 4.681 4.170 -0.001 0.000 0.291 325 I C -0.052 176.114 176.117 0.081 0.000 1.014 325 I CA -0.463 60.844 61.300 0.013 0.000 1.093 325 I CB 1.924 39.964 38.000 0.067 0.000 1.267 325 I HN 0.555 nan 8.210 nan 0.000 0.431 326 N N 4.075 122.757 118.700 -0.029 0.000 2.717 326 N HA 0.253 4.993 4.740 -0.001 0.000 0.314 326 N C 0.876 176.171 175.510 -0.358 0.000 1.324 326 N CA -0.522 52.498 53.050 -0.050 0.000 0.902 326 N CB 0.752 39.180 38.487 -0.098 0.000 1.126 326 N HN 0.530 nan 8.380 nan 0.000 0.579 327 K N 0.111 120.280 120.400 -0.386 0.000 2.228 327 K HA -0.074 4.246 4.320 -0.001 0.000 0.202 327 K C -0.613 175.685 176.600 -0.503 0.000 1.051 327 K CA 1.468 57.340 56.287 -0.691 0.000 0.960 327 K CB 0.080 32.428 32.500 -0.253 0.000 0.743 327 K HN 0.513 nan 8.250 nan 0.000 0.458 328 D N -0.880 119.338 120.400 -0.303 0.000 2.740 328 D HA 0.113 4.752 4.640 -0.001 0.000 0.305 328 D C -0.903 175.294 176.300 -0.173 0.000 1.583 328 D CA -0.392 53.484 54.000 -0.207 0.000 0.790 328 D CB 1.027 41.747 40.800 -0.135 0.000 1.187 328 D HN -0.159 nan 8.370 nan 0.000 0.447 329 T N -0.054 114.376 114.554 -0.207 0.000 3.172 329 T HA 0.512 4.862 4.350 -0.001 0.000 0.320 329 T C -1.236 173.286 174.700 -0.297 0.000 1.085 329 T CA -0.340 61.625 62.100 -0.224 0.000 1.052 329 T CB 1.944 70.724 68.868 -0.147 0.000 1.107 329 T HN -0.129 nan 8.240 nan 0.000 0.458 330 T N 2.625 116.856 114.554 -0.539 0.000 2.786 330 T HA 0.619 4.969 4.350 -0.001 0.000 0.283 330 T C -0.363 174.007 174.700 -0.550 0.000 0.992 330 T CA -0.493 61.231 62.100 -0.627 0.000 0.954 330 T CB 1.375 69.606 68.868 -1.063 0.000 0.934 330 T HN 0.596 nan 8.240 nan 0.000 0.440 331 T N 3.901 118.312 114.554 -0.238 0.000 2.840 331 T HA 0.640 4.989 4.350 -0.001 0.000 0.287 331 T C -0.575 174.109 174.700 -0.026 0.000 0.991 331 T CA -0.719 61.319 62.100 -0.104 0.000 0.964 331 T CB 0.149 68.980 68.868 -0.062 0.000 0.954 331 T HN 0.472 nan 8.240 nan 0.000 0.438 332 I N 6.171 126.763 120.570 0.038 0.000 2.304 332 I HA 0.418 4.587 4.170 -0.001 0.000 0.291 332 I C -0.144 175.993 176.117 0.032 0.000 1.018 332 I CA -0.787 60.544 61.300 0.053 0.000 1.260 332 I CB 1.230 39.292 38.000 0.103 0.000 1.390 332 I HN 0.565 nan 8.210 nan 0.000 0.475 333 I N 5.859 126.437 120.570 0.014 0.000 2.339 333 I HA 0.239 4.408 4.170 -0.001 0.000 0.290 333 I C -0.410 175.707 176.117 0.001 0.000 0.994 333 I CA -0.414 60.889 61.300 0.006 0.000 1.191 333 I CB 1.016 39.015 38.000 -0.002 0.000 1.343 333 I HN 0.586 nan 8.210 nan 0.000 0.458 334 D N 5.027 125.429 120.400 0.002 0.000 3.729 334 D HA -0.114 4.525 4.640 -0.001 0.000 0.242 334 D C 0.069 176.366 176.300 -0.004 0.000 1.091 334 D CA 0.906 54.905 54.000 -0.002 0.000 1.096 334 D CB -0.173 40.621 40.800 -0.009 0.000 0.901 334 D HN 0.828 nan 8.370 nan 0.000 0.416 335 G N 1.020 109.822 108.800 0.003 0.000 2.395 335 G HA2 0.427 4.386 3.960 -0.001 0.000 0.283 335 G HA3 0.427 4.386 3.960 -0.001 0.000 0.283 335 G C 1.329 176.230 174.900 0.000 0.000 1.178 335 G CA -0.455 44.648 45.100 0.004 0.000 0.837 335 G HN 0.408 nan 8.290 nan 0.000 0.518 336 V N 2.240 122.153 119.914 -0.001 0.000 3.383 336 V HA 0.013 4.132 4.120 -0.001 0.000 0.272 336 V C 2.074 178.171 176.094 0.006 0.000 1.181 336 V CA 0.632 62.931 62.300 -0.000 0.000 1.171 336 V CB -1.344 30.480 31.823 0.001 0.000 0.800 336 V HN 0.799 nan 8.190 nan 0.000 0.515 337 G N 0.830 109.635 108.800 0.007 0.000 2.368 337 G HA2 0.053 4.012 3.960 -0.001 0.000 0.233 337 G HA3 0.053 4.012 3.960 -0.001 0.000 0.233 337 G C 0.009 174.912 174.900 0.005 0.000 1.267 337 G CA -0.228 44.876 45.100 0.007 0.000 0.873 337 G HN 0.294 nan 8.290 nan 0.000 0.539 338 E N 1.653 121.855 120.200 0.004 0.000 2.316 338 E HA 0.038 4.388 4.350 -0.001 0.000 0.275 338 E C 1.281 177.882 176.600 0.001 0.000 1.029 338 E CA -0.423 55.979 56.400 0.003 0.000 0.871 338 E CB 1.064 30.766 29.700 0.003 0.000 1.022 338 E HN 0.551 nan 8.360 nan 0.000 0.418 339 E N 2.228 122.428 120.200 0.001 0.000 2.233 339 E HA -0.241 4.108 4.350 -0.001 0.000 0.199 339 E C 1.511 178.111 176.600 -0.001 0.000 1.004 339 E CA 1.350 57.750 56.400 -0.000 0.000 0.819 339 E CB -0.229 29.471 29.700 -0.000 0.000 0.738 339 E HN 0.543 nan 8.360 nan 0.000 0.478 340 A N 1.596 124.416 122.820 -0.001 0.000 1.840 340 A HA 0.081 4.400 4.320 -0.001 0.000 0.214 340 A C 2.488 180.071 177.584 -0.002 0.000 1.198 340 A CA 1.883 53.920 52.037 -0.001 0.000 0.608 340 A CB -0.814 18.186 19.000 -0.001 0.000 0.839 340 A HN 0.282 nan 8.150 nan 0.000 0.443 341 A N 0.177 122.997 122.820 -0.001 0.000 1.859 341 A HA -0.174 4.146 4.320 -0.001 0.000 0.217 341 A C 2.160 179.742 177.584 -0.004 0.000 1.198 341 A CA 1.791 53.826 52.037 -0.002 0.000 0.629 341 A CB -0.828 18.171 19.000 -0.001 0.000 0.830 341 A HN 0.501 nan 8.150 nan 0.000 0.446 342 I N -1.198 119.370 120.570 -0.003 0.000 2.099 342 I HA -0.304 3.866 4.170 -0.001 0.000 0.239 342 I C 2.809 178.924 176.117 -0.005 0.000 1.066 342 I CA 1.938 63.236 61.300 -0.003 0.000 1.324 342 I CB -0.381 37.618 38.000 -0.001 0.000 1.037 342 I HN 0.338 nan 8.210 nan 0.000 0.401 343 Q N 0.991 120.789 119.800 -0.004 0.000 2.226 343 Q HA -0.128 4.212 4.340 -0.001 0.000 0.204 343 Q C 2.018 178.014 176.000 -0.006 0.000 0.975 343 Q CA 1.791 57.592 55.803 -0.004 0.000 0.866 343 Q CB -0.678 28.058 28.738 -0.003 0.000 0.915 343 Q HN 0.548 nan 8.270 nan 0.000 0.440 344 G N -0.302 108.495 108.800 -0.006 0.000 2.404 344 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.215 344 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.215 344 G C 1.536 176.431 174.900 -0.009 0.000 1.174 344 G CA 0.776 45.872 45.100 -0.007 0.000 0.780 344 G HN 0.307 nan 8.290 nan 0.000 0.537 345 R N 0.420 120.914 120.500 -0.010 0.000 2.105 345 R HA -0.035 4.304 4.340 -0.001 0.000 0.239 345 R C 2.526 178.818 176.300 -0.014 0.000 1.135 345 R CA 1.504 57.596 56.100 -0.013 0.000 0.967 345 R CB -0.887 29.404 30.300 -0.014 0.000 0.861 345 R HN 0.230 nan 8.270 nan 0.000 0.442 346 V N 0.783 120.690 119.914 -0.012 0.000 2.490 346 V HA -0.205 3.915 4.120 -0.001 0.000 0.250 346 V C 2.366 178.453 176.094 -0.012 0.000 1.061 346 V CA 1.770 64.063 62.300 -0.012 0.000 1.064 346 V CB -1.047 30.771 31.823 -0.009 0.000 0.670 346 V HN 0.522 nan 8.190 nan 0.000 0.461 347 A N -0.227 122.587 122.820 -0.011 0.000 1.845 347 A HA -0.294 4.026 4.320 -0.001 0.000 0.215 347 A C 2.205 179.782 177.584 -0.012 0.000 1.195 347 A CA 2.052 54.083 52.037 -0.010 0.000 0.616 347 A CB -0.553 18.442 19.000 -0.009 0.000 0.832 347 A HN 0.604 nan 8.150 nan 0.000 0.443 348 Q N -0.332 119.460 119.800 -0.014 0.000 2.014 348 Q HA -0.193 4.146 4.340 -0.001 0.000 0.207 348 Q C 2.090 178.079 176.000 -0.018 0.000 0.993 348 Q CA 1.912 57.706 55.803 -0.016 0.000 0.850 348 Q CB -0.498 28.230 28.738 -0.017 0.000 0.916 348 Q HN 0.742 nan 8.270 nan 0.000 0.417 349 I N 0.228 120.785 120.570 -0.021 0.000 2.264 349 I HA -0.284 3.886 4.170 -0.001 0.000 0.248 349 I C 2.557 178.660 176.117 -0.023 0.000 1.111 349 I CA 1.170 62.455 61.300 -0.025 0.000 1.382 349 I CB -0.306 37.677 38.000 -0.028 0.000 1.060 349 I HN 0.156 nan 8.210 nan 0.000 0.418 350 R N 0.266 120.755 120.500 -0.018 0.000 2.236 350 R HA -0.111 4.228 4.340 -0.001 0.000 0.208 350 R C 2.334 178.625 176.300 -0.015 0.000 1.036 350 R CA 0.686 56.777 56.100 -0.016 0.000 1.001 350 R CB 0.088 30.381 30.300 -0.013 0.000 0.896 350 R HN 0.300 nan 8.270 nan 0.000 0.464 351 Q N 0.126 119.918 119.800 -0.014 0.000 2.123 351 Q HA -0.093 4.246 4.340 -0.001 0.000 0.196 351 Q C 1.882 177.873 176.000 -0.014 0.000 0.958 351 Q CA 1.167 56.963 55.803 -0.013 0.000 0.841 351 Q CB 0.189 28.921 28.738 -0.012 0.000 0.915 351 Q HN 0.418 nan 8.270 nan 0.000 0.455 352 Q N 0.322 120.111 119.800 -0.018 0.000 2.152 352 Q HA -0.143 4.196 4.340 -0.001 0.000 0.206 352 Q C 2.173 178.161 176.000 -0.020 0.000 0.985 352 Q CA 1.057 56.848 55.803 -0.020 0.000 0.863 352 Q CB -0.372 28.350 28.738 -0.027 0.000 0.904 352 Q HN 0.460 nan 8.270 nan 0.000 0.422 353 I N 1.092 121.649 120.570 -0.021 0.000 2.454 353 I HA -0.239 3.930 4.170 -0.001 0.000 0.254 353 I C 2.137 178.247 176.117 -0.013 0.000 1.156 353 I CA 0.957 62.245 61.300 -0.020 0.000 1.433 353 I CB -0.262 37.726 38.000 -0.020 0.000 1.082 353 I HN 0.123 nan 8.210 nan 0.000 0.432 354 E N 1.202 121.395 120.200 -0.011 0.000 2.033 354 E HA -0.146 4.204 4.350 -0.001 0.000 0.189 354 E C 1.716 178.312 176.600 -0.006 0.000 0.979 354 E CA 1.038 57.434 56.400 -0.007 0.000 0.802 354 E CB -0.350 29.346 29.700 -0.007 0.000 0.763 354 E HN 0.561 nan 8.360 nan 0.000 0.449 355 E N 1.094 121.290 120.200 -0.007 0.000 2.505 355 E HA 0.120 4.470 4.350 -0.001 0.000 0.197 355 E C 0.050 176.648 176.600 -0.004 0.000 1.111 355 E CA -0.064 56.333 56.400 -0.005 0.000 0.887 355 E CB 0.049 29.745 29.700 -0.007 0.000 0.913 355 E HN 0.059 nan 8.360 nan 0.000 0.517 356 A N 1.520 124.337 122.820 -0.005 0.000 2.396 356 A HA 0.106 4.426 4.320 -0.001 0.000 0.279 356 A C 1.319 178.907 177.584 0.006 0.000 1.165 356 A CA -0.250 51.786 52.037 -0.002 0.000 0.824 356 A CB 0.055 19.051 19.000 -0.007 0.000 1.100 356 A HN 0.229 nan 8.150 nan 0.000 0.516 357 T N -0.379 114.181 114.554 0.011 0.000 3.100 357 T HA 0.258 4.607 4.350 -0.001 0.000 0.253 357 T C 0.729 175.443 174.700 0.023 0.000 1.118 357 T CA 0.669 62.778 62.100 0.015 0.000 1.058 357 T CB -0.156 68.721 68.868 0.014 0.000 0.953 357 T HN 0.729 nan 8.240 nan 0.000 0.515 358 S N -0.986 114.733 115.700 0.032 0.000 2.627 358 S HA 0.392 4.861 4.470 -0.001 0.000 0.283 358 S C -0.107 174.524 174.600 0.053 0.000 1.127 358 S CA -0.685 57.545 58.200 0.050 0.000 0.863 358 S CB 1.768 65.013 63.200 0.076 0.000 1.121 358 S HN 0.084 nan 8.310 nan 0.000 0.479 359 D N 0.704 121.145 120.400 0.069 0.000 2.091 359 D HA -0.063 4.576 4.640 -0.001 0.000 0.199 359 D C 1.435 177.786 176.300 0.085 0.000 0.980 359 D CA 1.262 55.300 54.000 0.064 0.000 0.831 359 D CB -0.349 40.490 40.800 0.066 0.000 0.987 359 D HN 0.651 nan 8.370 nan 0.000 0.460 360 Y N 2.500 122.803 120.300 0.005 0.000 2.069 360 Y HA -0.287 4.262 4.550 -0.001 0.000 0.278 360 Y C 1.574 177.474 175.900 0.001 0.000 1.175 360 Y CA 2.177 60.281 58.100 0.007 0.000 1.134 360 Y CB -0.482 37.984 38.460 0.010 0.000 0.965 360 Y HN -0.083 nan 8.280 nan 0.000 0.498 361 D N -0.729 119.678 120.400 0.012 0.000 2.182 361 D HA -0.157 4.483 4.640 -0.001 0.000 0.201 361 D C 2.236 178.472 176.300 -0.107 0.000 0.986 361 D CA 1.487 55.439 54.000 -0.080 0.000 0.847 361 D CB -0.256 40.552 40.800 0.014 0.000 0.942 361 D HN 0.340 nan 8.370 nan 0.000 0.467 362 R N 0.465 120.928 120.500 -0.062 0.000 2.073 362 R HA -0.082 4.258 4.340 -0.001 0.000 0.229 362 R C 1.832 178.085 176.300 -0.078 0.000 1.120 362 R CA 0.897 56.966 56.100 -0.052 0.000 0.967 362 R CB 0.169 30.458 30.300 -0.019 0.000 0.862 362 R HN 0.121 nan 8.270 nan 0.000 0.436 363 E N 0.981 121.123 120.200 -0.097 0.000 2.038 363 E HA -0.224 4.125 4.350 -0.001 0.000 0.195 363 E C 1.838 178.352 176.600 -0.144 0.000 1.000 363 E CA 1.062 57.401 56.400 -0.101 0.000 0.803 363 E CB -0.193 29.450 29.700 -0.094 0.000 0.750 363 E HN 0.189 nan 8.360 nan 0.000 0.448 364 K N 0.890 121.136 120.400 -0.257 0.000 2.074 364 K HA -0.087 4.232 4.320 -0.001 0.000 0.209 364 K C 2.428 178.941 176.600 -0.146 0.000 1.048 364 K CA 0.745 56.885 56.287 -0.246 0.000 0.926 364 K CB -0.603 31.666 32.500 -0.385 0.000 0.713 364 K HN 0.207 nan 8.250 nan 0.000 0.444 365 L N 1.109 122.257 121.223 -0.125 0.000 2.056 365 L HA -0.189 4.150 4.340 -0.001 0.000 0.207 365 L C 2.614 179.448 176.870 -0.060 0.000 1.078 365 L CA 1.055 55.846 54.840 -0.082 0.000 0.749 365 L CB -0.386 41.633 42.059 -0.067 0.000 0.901 365 L HN 0.193 nan 8.230 nan 0.000 0.433 366 Q N 0.108 119.874 119.800 -0.057 0.000 2.124 366 Q HA -0.223 4.116 4.340 -0.001 0.000 0.202 366 Q C 2.026 178.006 176.000 -0.033 0.000 0.977 366 Q CA 1.426 57.206 55.803 -0.038 0.000 0.850 366 Q CB -0.189 28.529 28.738 -0.033 0.000 0.901 366 Q HN 0.598 nan 8.270 nan 0.000 0.429 367 E N 0.438 120.612 120.200 -0.042 0.000 2.058 367 E HA -0.172 4.178 4.350 -0.001 0.000 0.194 367 E C 2.157 178.744 176.600 -0.021 0.000 0.997 367 E CA 0.774 57.157 56.400 -0.029 0.000 0.801 367 E CB -0.050 29.628 29.700 -0.036 0.000 0.746 367 E HN 0.265 nan 8.360 nan 0.000 0.450 368 R N 0.411 120.890 120.500 -0.034 0.000 2.081 368 R HA -0.123 4.217 4.340 -0.001 0.000 0.235 368 R C 2.694 178.983 176.300 -0.019 0.000 1.131 368 R CA 1.568 57.651 56.100 -0.028 0.000 0.960 368 R CB -0.516 29.758 30.300 -0.043 0.000 0.856 368 R HN 0.219 nan 8.270 nan 0.000 0.436 369 V N -1.704 118.197 119.914 -0.021 0.000 2.427 369 V HA -0.061 4.059 4.120 -0.001 0.000 0.248 369 V C 2.347 178.436 176.094 -0.008 0.000 1.051 369 V CA 1.604 63.895 62.300 -0.015 0.000 1.048 369 V CB -0.985 30.828 31.823 -0.016 0.000 0.666 369 V HN 0.217 nan 8.190 nan 0.000 0.456 370 A N 0.740 123.555 122.820 -0.007 0.000 1.883 370 A HA -0.238 4.082 4.320 -0.001 0.000 0.217 370 A C 2.356 179.944 177.584 0.006 0.000 1.186 370 A CA 2.477 54.513 52.037 -0.000 0.000 0.624 370 A CB -0.636 18.364 19.000 -0.000 0.000 0.822 370 A HN 0.621 nan 8.150 nan 0.000 0.444 371 K N -1.208 119.198 120.400 0.010 0.000 2.001 371 K HA -0.081 4.238 4.320 -0.001 0.000 0.208 371 K C 1.926 178.537 176.600 0.018 0.000 1.048 371 K CA 1.286 57.585 56.287 0.021 0.000 0.932 371 K CB -0.352 32.166 32.500 0.031 0.000 0.715 371 K HN 0.310 nan 8.250 nan 0.000 0.437 372 L N 0.874 122.102 121.223 0.008 0.000 1.961 372 L HA -0.145 4.195 4.340 -0.001 0.000 0.210 372 L C 2.300 179.173 176.870 0.005 0.000 1.072 372 L CA 2.009 56.852 54.840 0.005 0.000 0.749 372 L CB -0.976 41.081 42.059 -0.004 0.000 0.889 372 L HN 0.162 nan 8.230 nan 0.000 0.432 373 A N -1.127 121.694 122.820 0.001 0.000 2.067 373 A HA -0.020 4.300 4.320 -0.001 0.000 0.219 373 A C 2.288 179.873 177.584 0.003 0.000 1.158 373 A CA 1.353 53.391 52.037 0.001 0.000 0.661 373 A CB -1.237 17.762 19.000 -0.002 0.000 0.801 373 A HN 0.509 nan 8.150 nan 0.000 0.452 374 G N -0.880 107.923 108.800 0.006 0.000 2.404 374 G HA2 0.329 4.288 3.960 -0.001 0.000 0.215 374 G HA3 0.329 4.288 3.960 -0.001 0.000 0.215 374 G C 1.231 176.136 174.900 0.008 0.000 1.174 374 G CA 0.894 45.998 45.100 0.007 0.000 0.780 374 G HN 1.708 nan 8.290 nan 0.000 0.537 375 G N -1.822 106.985 108.800 0.011 0.000 2.584 375 G HA2 0.063 4.023 3.960 -0.001 0.000 0.229 375 G HA3 0.063 4.023 3.960 -0.001 0.000 0.229 375 G C -0.737 174.171 174.900 0.013 0.000 1.320 375 G CA -0.203 44.904 45.100 0.011 0.000 0.891 375 G HN 1.181 nan 8.290 nan 0.000 0.573 376 V N 0.350 120.270 119.914 0.009 0.000 2.653 376 V HA 0.671 4.790 4.120 -0.001 0.000 0.298 376 V C 0.629 176.725 176.094 0.002 0.000 1.097 376 V CA -0.038 62.266 62.300 0.008 0.000 0.908 376 V CB 1.130 32.959 31.823 0.010 0.000 1.024 376 V HN 2.255 nan 8.190 nan 0.000 0.435 377 A N 4.500 127.320 122.820 0.000 0.000 2.425 377 A HA 0.691 5.010 4.320 -0.001 0.000 0.249 377 A C -0.323 177.257 177.584 -0.006 0.000 1.084 377 A CA -0.118 51.917 52.037 -0.003 0.000 0.781 377 A CB 0.648 19.645 19.000 -0.005 0.000 1.019 377 A HN 0.880 nan 8.150 nan 0.000 0.490 378 V N 4.526 124.435 119.914 -0.008 0.000 2.376 378 V HA 0.273 4.393 4.120 -0.001 0.000 0.287 378 V C -0.281 175.805 176.094 -0.013 0.000 1.015 378 V CA -0.110 62.184 62.300 -0.010 0.000 0.834 378 V CB 1.161 32.979 31.823 -0.009 0.000 1.001 378 V HN 0.728 nan 8.190 nan 0.000 0.428 379 I N 4.782 125.342 120.570 -0.017 0.000 2.304 379 I HA 0.378 4.548 4.170 -0.001 0.000 0.291 379 I C 0.249 176.355 176.117 -0.018 0.000 1.018 379 I CA -0.350 60.939 61.300 -0.018 0.000 1.260 379 I CB 1.031 39.017 38.000 -0.025 0.000 1.390 379 I HN 0.469 nan 8.210 nan 0.000 0.475 380 K N 5.537 125.928 120.400 -0.015 0.000 2.263 380 K HA 0.425 4.745 4.320 -0.001 0.000 0.272 380 K C -0.819 175.772 176.600 -0.014 0.000 1.033 380 K CA -0.542 55.737 56.287 -0.014 0.000 0.884 380 K CB 1.691 34.184 32.500 -0.012 0.000 1.107 380 K HN 0.336 nan 8.250 nan 0.000 0.460 381 V N 3.269 123.174 119.914 -0.015 0.000 2.427 381 V HA 0.224 4.344 4.120 -0.001 0.000 0.268 381 V C 0.865 176.951 176.094 -0.012 0.000 1.046 381 V CA -0.572 61.719 62.300 -0.015 0.000 0.970 381 V CB 0.916 32.728 31.823 -0.017 0.000 1.001 381 V HN 0.881 nan 8.190 nan 0.000 0.476 382 G N 3.176 111.969 108.800 -0.011 0.000 2.477 382 G HA2 0.808 4.767 3.960 -0.001 0.000 0.304 382 G HA3 0.808 4.767 3.960 -0.001 0.000 0.304 382 G C -0.423 174.472 174.900 -0.009 0.000 1.175 382 G CA 0.152 45.246 45.100 -0.009 0.000 0.907 382 G HN 1.276 nan 8.290 nan 0.000 0.509 383 A N -1.116 121.699 122.820 -0.008 0.000 2.515 383 A HA 0.737 5.056 4.320 -0.001 0.000 0.292 383 A C 0.630 178.210 177.584 -0.006 0.000 1.065 383 A CA 0.419 52.452 52.037 -0.007 0.000 0.641 383 A CB 0.343 19.339 19.000 -0.007 0.000 1.306 383 A HN 1.838 nan 8.150 nan 0.000 0.441 384 A N -0.464 122.353 122.820 -0.006 0.000 1.975 384 A HA 0.463 4.782 4.320 -0.001 0.000 0.215 384 A C 1.250 178.831 177.584 -0.005 0.000 1.170 384 A CA 2.256 54.290 52.037 -0.005 0.000 0.656 384 A CB -0.450 18.547 19.000 -0.005 0.000 0.821 384 A HN 2.256 nan 8.150 nan 0.000 0.449 385 T N -4.440 110.111 114.554 -0.005 0.000 2.906 385 T HA 0.451 4.801 4.350 -0.001 0.000 0.295 385 T C 0.465 175.162 174.700 -0.004 0.000 1.075 385 T CA 0.074 62.171 62.100 -0.004 0.000 1.005 385 T CB 1.871 70.737 68.868 -0.004 0.000 1.136 385 T HN 0.230 nan 8.240 nan 0.000 0.498 386 E N 0.466 120.664 120.200 -0.004 0.000 2.085 386 E HA -0.139 4.210 4.350 -0.001 0.000 0.194 386 E C 1.856 178.453 176.600 -0.004 0.000 0.994 386 E CA 1.536 57.933 56.400 -0.004 0.000 0.801 386 E CB -0.225 29.473 29.700 -0.004 0.000 0.743 386 E HN 0.570 nan 8.360 nan 0.000 0.453 387 V N 1.524 121.436 119.914 -0.003 0.000 2.233 387 V HA -0.296 3.824 4.120 -0.001 0.000 0.247 387 V C 2.194 178.285 176.094 -0.004 0.000 1.050 387 V CA 2.389 64.688 62.300 -0.003 0.000 1.010 387 V CB -0.777 31.044 31.823 -0.003 0.000 0.637 387 V HN 0.305 nan 8.190 nan 0.000 0.444 388 E N -0.290 119.907 120.200 -0.005 0.000 2.085 388 E HA -0.269 4.081 4.350 -0.001 0.000 0.194 388 E C 2.217 178.814 176.600 -0.006 0.000 0.994 388 E CA 1.614 58.011 56.400 -0.005 0.000 0.801 388 E CB -0.310 29.387 29.700 -0.006 0.000 0.743 388 E HN 0.454 nan 8.360 nan 0.000 0.453 389 M N 1.366 120.962 119.600 -0.006 0.000 2.065 389 M HA -0.203 4.277 4.480 -0.001 0.000 0.259 389 M C 1.833 178.129 176.300 -0.008 0.000 1.071 389 M CA 1.701 56.997 55.300 -0.007 0.000 1.109 389 M CB -0.307 32.289 32.600 -0.007 0.000 1.313 389 M HN -0.114 nan 8.290 nan 0.000 0.408 390 K N 0.227 120.624 120.400 -0.006 0.000 2.152 390 K HA -0.180 4.139 4.320 -0.001 0.000 0.206 390 K C 1.960 178.557 176.600 -0.006 0.000 1.048 390 K CA 1.219 57.503 56.287 -0.005 0.000 0.933 390 K CB -0.616 31.883 32.500 -0.003 0.000 0.721 390 K HN 0.487 nan 8.250 nan 0.000 0.447 391 E N 1.541 121.738 120.200 -0.006 0.000 2.028 391 E HA -0.171 4.178 4.350 -0.001 0.000 0.191 391 E C 1.952 178.547 176.600 -0.009 0.000 0.988 391 E CA 1.255 57.651 56.400 -0.006 0.000 0.799 391 E CB 0.014 29.710 29.700 -0.005 0.000 0.755 391 E HN 0.170 nan 8.360 nan 0.000 0.447 392 K N 0.895 121.288 120.400 -0.010 0.000 2.103 392 K HA -0.184 4.135 4.320 -0.001 0.000 0.207 392 K C 2.342 178.931 176.600 -0.017 0.000 1.048 392 K CA 1.546 57.825 56.287 -0.013 0.000 0.930 392 K CB -0.109 32.383 32.500 -0.013 0.000 0.716 392 K HN -0.045 nan 8.250 nan 0.000 0.444 393 K N 0.149 120.539 120.400 -0.016 0.000 2.063 393 K HA -0.172 4.148 4.320 -0.001 0.000 0.208 393 K C 1.922 178.507 176.600 -0.024 0.000 1.048 393 K CA 1.406 57.681 56.287 -0.020 0.000 0.928 393 K CB -0.187 32.304 32.500 -0.015 0.000 0.713 393 K HN 0.216 nan 8.250 nan 0.000 0.442 394 A N 1.311 124.121 122.820 -0.016 0.000 1.902 394 A HA -0.128 4.191 4.320 -0.001 0.000 0.217 394 A C 2.074 179.647 177.584 -0.019 0.000 1.181 394 A CA 1.310 53.340 52.037 -0.012 0.000 0.623 394 A CB -0.405 18.593 19.000 -0.003 0.000 0.818 394 A HN 0.326 nan 8.150 nan 0.000 0.443 395 R N -0.753 119.736 120.500 -0.019 0.000 2.115 395 R HA -0.034 4.306 4.340 -0.001 0.000 0.230 395 R C 1.966 178.245 176.300 -0.035 0.000 1.111 395 R CA 1.226 57.314 56.100 -0.021 0.000 0.976 395 R CB -0.355 29.935 30.300 -0.016 0.000 0.870 395 R HN 0.412 nan 8.270 nan 0.000 0.445 396 V N 1.010 120.898 119.914 -0.042 0.000 2.323 396 V HA -0.205 3.914 4.120 -0.001 0.000 0.244 396 V C 1.939 177.974 176.094 -0.099 0.000 1.041 396 V CA 1.706 63.971 62.300 -0.057 0.000 1.025 396 V CB -0.358 31.436 31.823 -0.049 0.000 0.656 396 V HN 0.316 nan 8.190 nan 0.000 0.451 397 E N -0.264 119.870 120.200 -0.109 0.000 2.085 397 E HA -0.249 4.101 4.350 -0.001 0.000 0.194 397 E C 2.027 178.453 176.600 -0.290 0.000 0.994 397 E CA 1.529 57.809 56.400 -0.200 0.000 0.801 397 E CB -0.132 29.500 29.700 -0.113 0.000 0.743 397 E HN 0.580 nan 8.360 nan 0.000 0.453 398 D N -0.066 120.267 120.400 -0.111 0.000 2.077 398 D HA -0.098 4.541 4.640 -0.001 0.000 0.196 398 D C 1.985 178.258 176.300 -0.045 0.000 0.986 398 D CA 1.239 55.222 54.000 -0.027 0.000 0.829 398 D CB -0.119 40.690 40.800 0.015 0.000 0.983 398 D HN 0.115 nan 8.370 nan 0.000 0.453 399 A N 0.910 123.702 122.820 -0.047 0.000 2.032 399 A HA -0.200 4.119 4.320 -0.001 0.000 0.221 399 A C 2.149 179.702 177.584 -0.051 0.000 1.165 399 A CA 1.081 53.097 52.037 -0.034 0.000 0.645 399 A CB -0.629 18.351 19.000 -0.032 0.000 0.807 399 A HN 0.266 nan 8.150 nan 0.000 0.453 400 L N -0.749 120.402 121.223 -0.119 0.000 2.005 400 L HA -0.139 4.200 4.340 -0.001 0.000 0.207 400 L C 2.433 179.257 176.870 -0.077 0.000 1.072 400 L CA 2.232 56.993 54.840 -0.133 0.000 0.744 400 L CB -0.851 41.074 42.059 -0.223 0.000 0.895 400 L HN 0.523 nan 8.230 nan 0.000 0.433 401 H N -0.231 118.837 119.070 -0.003 0.000 2.319 401 H HA -0.099 4.457 4.556 -0.001 0.000 0.299 401 H C 2.144 177.472 175.328 0.001 0.000 1.092 401 H CA 1.437 57.484 56.048 -0.002 0.000 1.302 401 H CB -0.845 28.916 29.762 -0.002 0.000 1.373 401 H HN 0.488 nan 8.280 nan 0.000 0.497 402 A N 0.685 123.577 122.820 0.120 0.000 1.859 402 A HA -0.214 4.105 4.320 -0.001 0.000 0.217 402 A C 2.686 180.296 177.584 0.044 0.000 1.198 402 A CA 2.691 54.767 52.037 0.067 0.000 0.629 402 A CB -1.152 17.872 19.000 0.041 0.000 0.830 402 A HN 0.467 nan 8.150 nan 0.000 0.446 403 T N -0.607 113.963 114.554 0.027 0.000 2.759 403 T HA -0.142 4.207 4.350 -0.001 0.000 0.269 403 T C 2.128 176.843 174.700 0.025 0.000 1.042 403 T CA 1.318 63.428 62.100 0.017 0.000 1.140 403 T CB -0.259 68.611 68.868 0.003 0.000 0.864 403 T HN 0.286 nan 8.240 nan 0.000 0.455 404 R N 1.210 121.732 120.500 0.037 0.000 2.091 404 R HA 0.061 4.401 4.340 -0.001 0.000 0.238 404 R C 2.596 178.920 176.300 0.040 0.000 1.136 404 R CA 1.694 57.820 56.100 0.043 0.000 0.959 404 R CB -1.009 29.334 30.300 0.073 0.000 0.856 404 R HN 0.456 nan 8.270 nan 0.000 0.437 405 A N 0.124 122.972 122.820 0.046 0.000 1.968 405 A HA 0.022 4.342 4.320 -0.001 0.000 0.217 405 A C 2.305 179.906 177.584 0.028 0.000 1.169 405 A CA 1.504 53.563 52.037 0.036 0.000 0.638 405 A CB -0.464 18.560 19.000 0.039 0.000 0.812 405 A HN 0.373 nan 8.150 nan 0.000 0.446 406 A N -0.480 122.356 122.820 0.026 0.000 1.898 406 A HA -0.007 4.313 4.320 -0.001 0.000 0.216 406 A C 2.162 179.757 177.584 0.017 0.000 1.181 406 A CA 1.703 53.751 52.037 0.020 0.000 0.620 406 A CB -0.914 18.096 19.000 0.017 0.000 0.819 406 A HN 0.370 nan 8.150 nan 0.000 0.442 407 V N 0.080 120.005 119.914 0.017 0.000 2.490 407 V HA -0.254 3.865 4.120 -0.001 0.000 0.250 407 V C 2.388 178.491 176.094 0.016 0.000 1.061 407 V CA 2.271 64.580 62.300 0.015 0.000 1.064 407 V CB -0.699 31.133 31.823 0.015 0.000 0.670 407 V HN 0.632 nan 8.190 nan 0.000 0.461 408 E N -0.238 119.973 120.200 0.018 0.000 2.033 408 E HA -0.122 4.227 4.350 -0.001 0.000 0.189 408 E C 1.576 178.185 176.600 0.015 0.000 0.979 408 E CA 1.192 57.602 56.400 0.017 0.000 0.802 408 E CB 0.051 29.763 29.700 0.020 0.000 0.763 408 E HN 0.632 nan 8.360 nan 0.000 0.449 409 E N -0.608 119.601 120.200 0.016 0.000 2.714 409 E HA 0.230 4.579 4.350 -0.001 0.000 0.219 409 E C 0.100 176.708 176.600 0.013 0.000 0.979 409 E CA 0.061 56.469 56.400 0.013 0.000 1.092 409 E CB 1.580 31.288 29.700 0.013 0.000 1.049 409 E HN 0.269 nan 8.360 nan 0.000 0.487 410 G N 1.115 109.924 108.800 0.014 0.000 2.693 410 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.226 410 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.226 410 G C -0.235 174.674 174.900 0.014 0.000 1.354 410 G CA -0.412 44.696 45.100 0.013 0.000 0.873 410 G HN 0.528 nan 8.290 nan 0.000 0.562 411 V N -2.674 117.249 119.914 0.014 0.000 3.040 411 V HA 0.986 5.105 4.120 -0.001 0.000 0.312 411 V C 0.568 176.670 176.094 0.014 0.000 1.115 411 V CA 0.155 62.464 62.300 0.013 0.000 0.998 411 V CB 1.325 33.154 31.823 0.012 0.000 1.042 411 V HN 2.456 nan 8.190 nan 0.000 0.433 412 V N -0.869 119.053 119.914 0.014 0.000 3.167 412 V HA 1.015 5.135 4.120 -0.001 0.000 0.310 412 V C 0.466 176.568 176.094 0.013 0.000 1.207 412 V CA -0.749 61.560 62.300 0.016 0.000 1.059 412 V CB 1.197 33.030 31.823 0.017 0.000 1.079 412 V HN 2.067 nan 8.190 nan 0.000 0.446 413 A N 0.502 123.331 122.820 0.014 0.000 2.520 413 A HA 0.652 4.972 4.320 -0.001 0.000 0.245 413 A C 0.824 178.409 177.584 0.001 0.000 1.072 413 A CA 0.683 52.724 52.037 0.006 0.000 0.761 413 A CB -0.475 18.531 19.000 0.010 0.000 1.004 413 A HN 1.928 nan 8.150 nan 0.000 0.499 414 G N 0.538 109.332 108.800 -0.009 0.000 2.574 414 G HA2 0.518 4.477 3.960 -0.001 0.000 0.248 414 G HA3 0.518 4.477 3.960 -0.001 0.000 0.248 414 G C 1.139 176.030 174.900 -0.015 0.000 1.422 414 G CA -0.082 45.013 45.100 -0.010 0.000 1.051 414 G HN 2.212 nan 8.290 nan 0.000 0.560 415 G N -1.917 106.873 108.800 -0.017 0.000 2.187 415 G HA2 0.195 4.154 3.960 -0.001 0.000 0.261 415 G HA3 0.195 4.154 3.960 -0.001 0.000 0.261 415 G C 1.531 176.433 174.900 0.003 0.000 1.000 415 G CA 1.319 46.410 45.100 -0.015 0.000 0.718 415 G HN 2.470 nan 8.290 nan 0.000 0.519 416 G N -2.380 106.423 108.800 0.005 0.000 2.162 416 G HA2 -0.094 3.866 3.960 -0.001 0.000 0.260 416 G HA3 -0.094 3.866 3.960 -0.001 0.000 0.260 416 G C 1.779 176.688 174.900 0.014 0.000 0.976 416 G CA 1.849 46.956 45.100 0.011 0.000 0.655 416 G HN 2.220 nan 8.290 nan 0.000 0.533 417 V N -1.586 118.333 119.914 0.010 0.000 2.788 417 V HA 0.465 4.584 4.120 -0.001 0.000 0.251 417 V C 2.694 178.801 176.094 0.022 0.000 1.068 417 V CA 1.861 64.169 62.300 0.015 0.000 1.090 417 V CB -0.333 31.490 31.823 -0.000 0.000 0.710 417 V HN 1.357 nan 8.190 nan 0.000 0.467 418 A N 0.849 123.680 122.820 0.018 0.000 1.883 418 A HA -0.100 4.220 4.320 -0.001 0.000 0.217 418 A C 2.224 179.822 177.584 0.023 0.000 1.186 418 A CA 2.308 54.359 52.037 0.022 0.000 0.624 418 A CB -0.759 18.252 19.000 0.018 0.000 0.822 418 A HN 0.592 nan 8.150 nan 0.000 0.444 419 L N -1.022 120.212 121.223 0.020 0.000 2.083 419 L HA -0.134 4.205 4.340 -0.001 0.000 0.209 419 L C 2.518 179.401 176.870 0.021 0.000 1.083 419 L CA 1.308 56.160 54.840 0.019 0.000 0.752 419 L CB -0.320 41.750 42.059 0.017 0.000 0.899 419 L HN 0.478 nan 8.230 nan 0.000 0.433 420 I N -0.487 120.097 120.570 0.024 0.000 2.353 420 I HA -0.276 3.893 4.170 -0.001 0.000 0.248 420 I C 2.772 178.910 176.117 0.035 0.000 1.119 420 I CA 0.761 62.078 61.300 0.028 0.000 1.417 420 I CB 0.045 38.063 38.000 0.029 0.000 1.078 420 I HN 0.192 nan 8.210 nan 0.000 0.421 421 R N 0.481 121.006 120.500 0.041 0.000 2.070 421 R HA -0.133 4.206 4.340 -0.001 0.000 0.233 421 R C 2.045 178.368 176.300 0.037 0.000 1.137 421 R CA 2.115 58.245 56.100 0.049 0.000 0.945 421 R CB -1.111 29.222 30.300 0.055 0.000 0.845 421 R HN 0.211 nan 8.270 nan 0.000 0.430 422 V N 0.962 120.894 119.914 0.030 0.000 2.332 422 V HA -0.252 3.868 4.120 -0.001 0.000 0.248 422 V C 2.319 178.425 176.094 0.020 0.000 1.055 422 V CA 2.081 64.394 62.300 0.023 0.000 1.038 422 V CB -0.867 30.966 31.823 0.018 0.000 0.651 422 V HN 0.594 nan 8.190 nan 0.000 0.450 423 A N 0.260 123.093 122.820 0.020 0.000 1.898 423 A HA -0.196 4.123 4.320 -0.001 0.000 0.216 423 A C 2.532 180.127 177.584 0.019 0.000 1.181 423 A CA 2.101 54.148 52.037 0.017 0.000 0.620 423 A CB -0.787 18.223 19.000 0.017 0.000 0.819 423 A HN 0.710 nan 8.150 nan 0.000 0.442 424 S N -0.021 115.693 115.700 0.025 0.000 2.419 424 S HA -0.159 4.311 4.470 -0.001 0.000 0.235 424 S C 1.644 176.257 174.600 0.022 0.000 1.019 424 S CA 1.529 59.745 58.200 0.026 0.000 0.982 424 S CB -0.366 62.855 63.200 0.035 0.000 0.789 424 S HN 0.611 nan 8.310 nan 0.000 0.490 425 K N 0.518 120.931 120.400 0.021 0.000 2.418 425 K HA 0.262 4.581 4.320 -0.001 0.000 0.195 425 K C 0.892 177.500 176.600 0.013 0.000 1.035 425 K CA 0.416 56.714 56.287 0.018 0.000 1.003 425 K CB -0.133 32.378 32.500 0.019 0.000 0.793 425 K HN 0.434 nan 8.250 nan 0.000 0.494 426 L N 0.325 121.555 121.223 0.012 0.000 2.791 426 L HA 0.215 4.554 4.340 -0.001 0.000 0.239 426 L C 1.777 178.651 176.870 0.008 0.000 1.203 426 L CA -0.307 54.538 54.840 0.009 0.000 1.002 426 L CB 0.101 42.165 42.059 0.008 0.000 1.295 426 L HN 0.037 nan 8.230 nan 0.000 0.504 427 A N 0.145 122.970 122.820 0.009 0.000 1.948 427 A HA -0.207 4.112 4.320 -0.001 0.000 0.220 427 A C 1.619 179.206 177.584 0.006 0.000 1.177 427 A CA 1.813 53.855 52.037 0.008 0.000 0.636 427 A CB -0.194 18.811 19.000 0.008 0.000 0.815 427 A HN 0.379 nan 8.150 nan 0.000 0.449 428 D N -1.029 119.374 120.400 0.005 0.000 2.328 428 D HA 0.159 4.799 4.640 -0.001 0.000 0.221 428 D C 0.109 176.411 176.300 0.003 0.000 1.072 428 D CA -0.214 53.788 54.000 0.004 0.000 0.850 428 D CB -0.066 40.737 40.800 0.004 0.000 0.922 428 D HN 0.329 nan 8.370 nan 0.000 0.516 429 L N 1.994 123.219 121.223 0.004 0.000 2.462 429 L HA 0.116 4.455 4.340 -0.001 0.000 0.272 429 L C 0.132 177.003 176.870 0.002 0.000 1.166 429 L CA 0.441 55.283 54.840 0.003 0.000 0.880 429 L CB 0.128 42.189 42.059 0.003 0.000 1.142 429 L HN -0.216 nan 8.230 nan 0.000 0.473 430 R N 3.305 123.806 120.500 0.002 0.000 2.888 430 R HA 0.728 5.067 4.340 -0.001 0.000 0.266 430 R C -0.177 176.123 176.300 0.001 0.000 1.020 430 R CA -0.389 55.712 56.100 0.001 0.000 0.963 430 R CB 1.498 31.799 30.300 0.001 0.000 1.197 430 R HN 0.806 nan 8.270 nan 0.000 0.481 431 G N -0.360 108.441 108.800 0.001 0.000 2.990 431 G HA2 0.202 4.161 3.960 -0.001 0.000 0.208 431 G HA3 0.202 4.161 3.960 -0.001 0.000 0.208 431 G C 0.102 175.002 174.900 0.001 0.000 1.334 431 G CA -0.275 44.826 45.100 0.001 0.000 1.024 431 G HN 0.425 nan 8.290 nan 0.000 0.574 432 Q N -0.631 119.170 119.800 0.000 0.000 2.311 432 Q HA 0.086 4.426 4.340 -0.001 0.000 0.203 432 Q C 0.276 176.276 176.000 0.001 0.000 0.954 432 Q CA 1.100 56.904 55.803 0.000 0.000 0.885 432 Q CB 0.035 28.774 28.738 0.000 0.000 0.963 432 Q HN 0.626 nan 8.270 nan 0.000 0.471 433 N N -2.167 116.533 118.700 0.001 0.000 3.039 433 N HA 0.057 4.796 4.740 -0.001 0.000 0.257 433 N C -0.086 175.425 175.510 0.001 0.000 1.497 433 N CA -0.551 52.500 53.050 0.001 0.000 0.861 433 N CB 0.493 38.981 38.487 0.001 0.000 1.479 433 N HN -0.304 nan 8.380 nan 0.000 0.547 434 E N -0.322 119.878 120.200 0.001 0.000 2.110 434 E HA -0.128 4.221 4.350 -0.001 0.000 0.193 434 E C 0.496 177.097 176.600 0.002 0.000 0.988 434 E CA 1.590 57.991 56.400 0.001 0.000 0.804 434 E CB -0.367 29.333 29.700 0.001 0.000 0.745 434 E HN 0.588 nan 8.360 nan 0.000 0.458 435 D N 0.219 120.620 120.400 0.002 0.000 2.104 435 D HA -0.174 4.466 4.640 -0.001 0.000 0.194 435 D C 1.922 178.223 176.300 0.002 0.000 0.994 435 D CA 1.127 55.128 54.000 0.002 0.000 0.830 435 D CB -0.228 40.574 40.800 0.002 0.000 0.959 435 D HN 0.402 nan 8.370 nan 0.000 0.452 436 Q N 0.256 120.057 119.800 0.002 0.000 2.170 436 Q HA -0.110 4.229 4.340 -0.001 0.000 0.203 436 Q C 1.835 177.836 176.000 0.002 0.000 0.976 436 Q CA 0.672 56.476 55.803 0.002 0.000 0.858 436 Q CB -0.080 28.659 28.738 0.001 0.000 0.907 436 Q HN 0.267 nan 8.270 nan 0.000 0.433 437 N N 0.231 118.932 118.700 0.002 0.000 2.166 437 N HA -0.111 4.629 4.740 -0.001 0.000 0.186 437 N C 1.886 177.397 175.510 0.002 0.000 1.019 437 N CA 0.943 53.995 53.050 0.002 0.000 0.856 437 N CB -0.212 38.276 38.487 0.002 0.000 0.993 437 N HN 0.055 nan 8.380 nan 0.000 0.426 438 V N 0.873 120.788 119.914 0.002 0.000 2.343 438 V HA -0.136 3.983 4.120 -0.001 0.000 0.247 438 V C 2.448 178.544 176.094 0.003 0.000 1.051 438 V CA 1.973 64.275 62.300 0.003 0.000 1.036 438 V CB -1.204 30.621 31.823 0.003 0.000 0.654 438 V HN 0.327 nan 8.190 nan 0.000 0.451 439 G N -0.015 108.787 108.800 0.003 0.000 2.440 439 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.218 439 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.218 439 G C 1.563 176.465 174.900 0.003 0.000 1.154 439 G CA 1.082 46.184 45.100 0.004 0.000 0.767 439 G HN 0.496 nan 8.290 nan 0.000 0.552 440 I N 0.211 120.782 120.570 0.003 0.000 2.226 440 I HA -0.125 4.045 4.170 -0.001 0.000 0.245 440 I C 2.673 178.792 176.117 0.004 0.000 1.100 440 I CA 0.924 62.225 61.300 0.003 0.000 1.374 440 I CB -0.119 37.883 38.000 0.002 0.000 1.057 440 I HN 0.012 nan 8.210 nan 0.000 0.413 441 K N 0.634 121.036 120.400 0.004 0.000 2.097 441 K HA -0.059 4.260 4.320 -0.001 0.000 0.205 441 K C 2.161 178.764 176.600 0.005 0.000 1.050 441 K CA 0.954 57.243 56.287 0.005 0.000 0.938 441 K CB -0.671 31.831 32.500 0.004 0.000 0.718 441 K HN 0.198 nan 8.250 nan 0.000 0.442 442 V N 1.752 121.669 119.914 0.005 0.000 2.287 442 V HA -0.275 3.845 4.120 -0.001 0.000 0.248 442 V C 2.493 178.591 176.094 0.006 0.000 1.053 442 V CA 2.129 64.433 62.300 0.006 0.000 1.027 442 V CB -0.842 30.984 31.823 0.006 0.000 0.646 442 V HN 0.298 nan 8.190 nan 0.000 0.447 443 A N -0.352 122.472 122.820 0.006 0.000 1.877 443 A HA -0.128 4.191 4.320 -0.001 0.000 0.216 443 A C 2.197 179.786 177.584 0.007 0.000 1.186 443 A CA 1.719 53.760 52.037 0.006 0.000 0.620 443 A CB -0.544 18.458 19.000 0.005 0.000 0.822 443 A HN 0.502 nan 8.150 nan 0.000 0.443 444 L N -1.362 119.865 121.223 0.007 0.000 2.131 444 L HA -0.155 4.184 4.340 -0.001 0.000 0.210 444 L C 2.825 179.700 176.870 0.009 0.000 1.092 444 L CA 1.453 56.298 54.840 0.008 0.000 0.759 444 L CB -0.488 41.576 42.059 0.008 0.000 0.903 444 L HN 0.402 nan 8.230 nan 0.000 0.435 445 R N 0.027 120.532 120.500 0.008 0.000 2.075 445 R HA -0.107 4.233 4.340 -0.001 0.000 0.232 445 R C 2.401 178.706 176.300 0.008 0.000 1.126 445 R CA 1.254 57.359 56.100 0.008 0.000 0.963 445 R CB -0.198 30.106 30.300 0.006 0.000 0.858 445 R HN 0.335 nan 8.270 nan 0.000 0.435 446 A N 0.559 123.384 122.820 0.009 0.000 1.972 446 A HA -0.149 4.170 4.320 -0.001 0.000 0.219 446 A C 2.007 179.597 177.584 0.011 0.000 1.169 446 A CA 1.203 53.245 52.037 0.010 0.000 0.635 446 A CB -0.361 18.645 19.000 0.010 0.000 0.810 446 A HN 0.279 nan 8.150 nan 0.000 0.446 447 M N -0.579 119.028 119.600 0.011 0.000 2.629 447 M HA -0.115 4.365 4.480 -0.001 0.000 0.257 447 M C 1.346 177.654 176.300 0.013 0.000 1.071 447 M CA 1.009 56.316 55.300 0.013 0.000 1.077 447 M CB -0.214 32.394 32.600 0.013 0.000 1.423 447 M HN 0.462 nan 8.290 nan 0.000 0.508 448 E N -0.070 120.137 120.200 0.012 0.000 2.447 448 E HA 0.067 4.417 4.350 -0.001 0.000 0.195 448 E C 2.054 178.659 176.600 0.008 0.000 1.028 448 E CA 0.313 56.719 56.400 0.010 0.000 0.876 448 E CB 0.156 29.861 29.700 0.009 0.000 0.885 448 E HN 0.483 nan 8.360 nan 0.000 0.500 449 A N 2.429 125.254 122.820 0.009 0.000 1.873 449 A HA -0.160 4.160 4.320 -0.001 0.000 0.218 449 A C -0.374 177.214 177.584 0.008 0.000 1.193 449 A CA 1.443 53.484 52.037 0.008 0.000 0.629 449 A CB -1.520 17.485 19.000 0.009 0.000 0.826 449 A HN 0.120 nan 8.150 nan 0.000 0.447 450 P HA -0.199 nan 4.420 nan 0.000 0.212 450 P C 1.881 179.188 177.300 0.012 0.000 1.178 450 P CA 1.154 64.261 63.100 0.011 0.000 0.915 450 P CB -0.185 31.523 31.700 0.013 0.000 0.788 451 L N -0.879 120.351 121.223 0.012 0.000 1.990 451 L HA -0.275 4.064 4.340 -0.001 0.000 0.213 451 L C 2.541 179.415 176.870 0.007 0.000 1.072 451 L CA 1.909 56.758 54.840 0.015 0.000 0.755 451 L CB -0.380 41.687 42.059 0.013 0.000 0.889 451 L HN -0.146 nan 8.230 nan 0.000 0.432 452 R N -0.744 119.756 120.500 -0.001 0.000 2.096 452 R HA -0.282 4.057 4.340 -0.001 0.000 0.240 452 R C 2.305 178.603 176.300 -0.002 0.000 1.139 452 R CA 2.097 58.192 56.100 -0.008 0.000 0.952 452 R CB -0.428 29.868 30.300 -0.006 0.000 0.854 452 R HN 0.399 nan 8.270 nan 0.000 0.436 453 Q N 0.897 120.699 119.800 0.004 0.000 2.050 453 Q HA -0.119 4.220 4.340 -0.001 0.000 0.202 453 Q C 1.857 177.863 176.000 0.011 0.000 0.980 453 Q CA 1.665 57.472 55.803 0.006 0.000 0.840 453 Q CB -0.195 28.547 28.738 0.007 0.000 0.898 453 Q HN 0.371 nan 8.270 nan 0.000 0.424 454 I N -0.716 119.864 120.570 0.016 0.000 2.127 454 I HA -0.306 3.863 4.170 -0.001 0.000 0.241 454 I C 2.089 178.230 176.117 0.040 0.000 1.075 454 I CA 1.215 62.531 61.300 0.026 0.000 1.334 454 I CB -0.452 37.568 38.000 0.033 0.000 1.040 454 I HN 0.085 nan 8.210 nan 0.000 0.405 455 V N 0.653 120.590 119.914 0.039 0.000 2.407 455 V HA -0.275 3.845 4.120 -0.001 0.000 0.248 455 V C 2.384 178.488 176.094 0.017 0.000 1.055 455 V CA 1.663 63.983 62.300 0.033 0.000 1.049 455 V CB -0.520 31.271 31.823 -0.053 0.000 0.662 455 V HN 0.358 nan 8.190 nan 0.000 0.455 456 L N 0.767 121.994 121.223 0.006 0.000 2.046 456 L HA -0.147 4.192 4.340 -0.001 0.000 0.208 456 L C 2.187 179.063 176.870 0.011 0.000 1.077 456 L CA 1.957 56.799 54.840 0.004 0.000 0.747 456 L CB -0.843 41.217 42.059 0.001 0.000 0.896 456 L HN 0.312 nan 8.230 nan 0.000 0.432 457 N N -1.091 117.617 118.700 0.014 0.000 2.289 457 N HA -0.165 4.575 4.740 -0.001 0.000 0.184 457 N C 1.704 177.224 175.510 0.018 0.000 1.016 457 N CA 1.593 54.651 53.050 0.013 0.000 0.872 457 N CB -0.749 37.744 38.487 0.011 0.000 0.973 457 N HN 0.420 nan 8.380 nan 0.000 0.433 458 C N -0.398 118.919 119.300 0.029 0.000 2.522 458 C HA 0.257 4.717 4.460 -0.001 0.000 0.271 458 C C 1.549 176.559 174.990 0.034 0.000 1.425 458 C CA 0.269 59.310 59.018 0.038 0.000 1.751 458 C CB -1.270 26.514 27.740 0.073 0.000 1.775 458 C HN 0.621 nan 8.230 nan 0.000 0.557 459 G N 1.305 110.120 108.800 0.024 0.000 2.182 459 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.248 459 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.248 459 G C -0.292 174.621 174.900 0.020 0.000 1.042 459 G CA 0.171 45.282 45.100 0.019 0.000 0.775 459 G HN 0.516 nan 8.290 nan 0.000 0.501 460 E N -0.258 119.952 120.200 0.017 0.000 2.316 460 E HA 0.444 4.793 4.350 -0.001 0.000 0.258 460 E C 0.014 176.602 176.600 -0.020 0.000 0.952 460 E CA -0.869 55.533 56.400 0.003 0.000 0.818 460 E CB 0.814 30.514 29.700 0.001 0.000 1.260 460 E HN 0.442 nan 8.360 nan 0.000 0.416 461 E N 1.716 121.896 120.200 -0.033 0.000 2.052 461 E HA 0.124 4.474 4.350 -0.001 0.000 0.283 461 E C -1.724 174.840 176.600 -0.059 0.000 1.071 461 E CA -1.584 54.796 56.400 -0.035 0.000 0.851 461 E CB 0.876 30.562 29.700 -0.023 0.000 1.066 461 E HN 0.106 nan 8.360 nan 0.000 0.396 462 P HA -0.233 nan 4.420 nan 0.000 0.216 462 P C 1.022 178.292 177.300 -0.049 0.000 1.157 462 P CA 1.276 64.343 63.100 -0.054 0.000 0.880 462 P CB 0.303 31.985 31.700 -0.029 0.000 0.791 463 S N -0.718 114.963 115.700 -0.031 0.000 2.359 463 S HA -0.132 4.338 4.470 -0.001 0.000 0.224 463 S C 2.028 176.614 174.600 -0.023 0.000 1.035 463 S CA 1.488 59.675 58.200 -0.021 0.000 1.018 463 S CB -1.396 61.795 63.200 -0.014 0.000 0.876 463 S HN -0.034 nan 8.310 nan 0.000 0.448 464 V N 1.580 121.475 119.914 -0.031 0.000 2.261 464 V HA -0.142 3.977 4.120 -0.001 0.000 0.246 464 V C 2.385 178.465 176.094 -0.024 0.000 1.047 464 V CA 1.524 63.809 62.300 -0.025 0.000 1.015 464 V CB -0.863 30.947 31.823 -0.023 0.000 0.642 464 V HN 0.348 nan 8.190 nan 0.000 0.446 465 V N 0.400 120.266 119.914 -0.079 0.000 2.295 465 V HA -0.260 3.860 4.120 -0.001 0.000 0.246 465 V C 2.756 178.832 176.094 -0.030 0.000 1.049 465 V CA 2.029 64.256 62.300 -0.123 0.000 1.024 465 V CB -1.271 30.259 31.823 -0.488 0.000 0.648 465 V HN 0.553 nan 8.190 nan 0.000 0.447 466 A N 0.314 123.108 122.820 -0.043 0.000 1.917 466 A HA -0.329 3.990 4.320 -0.001 0.000 0.219 466 A C 2.071 179.671 177.584 0.027 0.000 1.182 466 A CA 2.577 54.612 52.037 -0.004 0.000 0.633 466 A CB -0.899 18.096 19.000 -0.009 0.000 0.819 466 A HN 0.611 nan 8.150 nan 0.000 0.448 467 N N -0.761 117.950 118.700 0.018 0.000 2.058 467 N HA -0.118 4.621 4.740 -0.001 0.000 0.191 467 N C 1.772 177.309 175.510 0.045 0.000 1.037 467 N CA 2.301 55.365 53.050 0.023 0.000 0.848 467 N CB -0.471 38.019 38.487 0.006 0.000 1.021 467 N HN 0.415 nan 8.380 nan 0.000 0.422 468 T N -0.213 114.370 114.554 0.048 0.000 2.684 468 T HA -0.114 4.235 4.350 -0.001 0.000 0.267 468 T C 1.976 176.788 174.700 0.187 0.000 1.036 468 T CA 1.407 63.538 62.100 0.051 0.000 1.148 468 T CB -0.534 68.285 68.868 -0.081 0.000 0.863 468 T HN 0.013 nan 8.240 nan 0.000 0.436 469 V N 1.489 121.536 119.914 0.222 0.000 2.332 469 V HA -0.199 3.920 4.120 -0.001 0.000 0.248 469 V C 2.475 178.688 176.094 0.198 0.000 1.055 469 V CA 1.608 64.037 62.300 0.214 0.000 1.038 469 V CB -0.507 31.386 31.823 0.116 0.000 0.651 469 V HN 0.477 nan 8.190 nan 0.000 0.450 470 K N 0.092 120.567 120.400 0.125 0.000 2.152 470 K HA -0.129 4.190 4.320 -0.001 0.000 0.206 470 K C 2.191 178.850 176.600 0.098 0.000 1.048 470 K CA 1.342 57.686 56.287 0.095 0.000 0.933 470 K CB -0.549 31.986 32.500 0.057 0.000 0.721 470 K HN 0.590 nan 8.250 nan 0.000 0.447 471 G N 1.105 109.968 108.800 0.105 0.000 2.422 471 G HA2 -0.115 3.844 3.960 -0.001 0.000 0.218 471 G HA3 -0.115 3.844 3.960 -0.001 0.000 0.218 471 G C 0.866 175.802 174.900 0.061 0.000 1.140 471 G CA 0.709 45.848 45.100 0.065 0.000 0.775 471 G HN 0.385 nan 8.290 nan 0.000 0.545 472 G N -0.738 108.164 108.800 0.169 0.000 2.525 472 G HA2 0.445 4.404 3.960 -0.001 0.000 0.276 472 G HA3 0.445 4.404 3.960 -0.001 0.000 0.276 472 G C -0.690 174.276 174.900 0.110 0.000 1.388 472 G CA -0.246 44.902 45.100 0.081 0.000 1.050 472 G HN 0.207 nan 8.290 nan 0.000 0.520 473 D N -2.130 118.330 120.400 0.099 0.000 2.579 473 D HA 0.499 5.138 4.640 -0.001 0.000 0.257 473 D C 0.859 177.235 176.300 0.127 0.000 1.176 473 D CA 0.582 54.635 54.000 0.088 0.000 0.914 473 D CB 1.640 42.455 40.800 0.026 0.000 1.431 473 D HN 0.844 nan 8.370 nan 0.000 0.454 474 G N 1.088 109.941 108.800 0.089 0.000 2.627 474 G HA2 -0.358 3.601 3.960 -0.001 0.000 0.312 474 G HA3 -0.358 3.601 3.960 -0.001 0.000 0.312 474 G C 0.310 175.275 174.900 0.107 0.000 1.299 474 G CA 0.535 45.685 45.100 0.083 0.000 0.989 474 G HN 0.590 nan 8.290 nan 0.000 0.547 475 N N 0.122 118.883 118.700 0.102 0.000 2.375 475 N HA 0.309 5.048 4.740 -0.001 0.000 0.220 475 N C 0.015 175.601 175.510 0.127 0.000 1.170 475 N CA 0.098 53.203 53.050 0.091 0.000 0.833 475 N CB 0.082 38.605 38.487 0.059 0.000 1.069 475 N HN 0.535 nan 8.380 nan 0.000 0.479 476 Y N 0.610 120.942 120.300 0.053 0.000 2.402 476 Y HA 0.520 5.070 4.550 -0.001 0.000 0.333 476 Y C 0.700 176.663 175.900 0.105 0.000 1.076 476 Y CA -0.248 57.898 58.100 0.077 0.000 1.299 476 Y CB 0.165 38.671 38.460 0.077 0.000 1.197 476 Y HN 0.043 nan 8.280 nan 0.000 0.517 477 G N 4.097 112.603 108.800 -0.490 0.000 2.846 477 G HA2 0.247 4.206 3.960 -0.001 0.000 0.299 477 G HA3 0.247 4.206 3.960 -0.001 0.000 0.299 477 G C -2.385 172.294 174.900 -0.369 0.000 1.242 477 G CA -0.877 43.998 45.100 -0.374 0.000 0.800 477 G HN 0.562 nan 8.290 nan 0.000 0.538 478 Y N 1.451 121.508 120.300 -0.406 0.000 2.328 478 Y HA 0.572 5.121 4.550 -0.001 0.000 0.336 478 Y C -0.210 175.472 175.900 -0.364 0.000 0.960 478 Y CA -1.413 56.328 58.100 -0.598 0.000 1.134 478 Y CB 1.620 39.688 38.460 -0.653 0.000 1.166 478 Y HN 0.394 nan 8.280 nan 0.000 0.464 479 N N 5.125 123.353 118.700 -0.786 0.000 2.508 479 N HA 0.134 4.874 4.740 -0.001 0.000 0.253 479 N C 0.712 175.676 175.510 -0.909 0.000 1.145 479 N CA 0.677 53.367 53.050 -0.600 0.000 0.973 479 N CB 1.001 39.252 38.487 -0.394 0.000 1.305 479 N HN 0.937 nan 8.380 nan 0.000 0.506 480 A N 3.690 126.095 122.820 -0.692 0.000 1.986 480 A HA -0.169 4.151 4.320 -0.001 0.000 0.220 480 A C 2.100 179.503 177.584 -0.302 0.000 1.171 480 A CA 1.940 53.699 52.037 -0.462 0.000 0.640 480 A CB -0.580 18.380 19.000 -0.065 0.000 0.811 480 A HN 0.688 nan 8.150 nan 0.000 0.451 481 A N -0.865 121.805 122.820 -0.249 0.000 1.969 481 A HA -0.019 4.301 4.320 -0.001 0.000 0.218 481 A C 2.214 179.703 177.584 -0.159 0.000 1.169 481 A CA 2.295 54.237 52.037 -0.157 0.000 0.635 481 A CB -0.735 18.193 19.000 -0.121 0.000 0.810 481 A HN 0.906 nan 8.150 nan 0.000 0.445 482 T N -4.298 110.119 114.554 -0.227 0.000 3.040 482 T HA 0.281 4.630 4.350 -0.001 0.000 0.266 482 T C 0.196 174.780 174.700 -0.192 0.000 1.005 482 T CA 0.655 62.653 62.100 -0.170 0.000 0.906 482 T CB -0.234 68.551 68.868 -0.138 0.000 1.082 482 T HN 0.552 nan 8.240 nan 0.000 0.531 483 E N 0.928 120.915 120.200 -0.354 0.000 2.722 483 E HA -0.143 4.207 4.350 -0.001 0.000 0.265 483 E C -0.850 175.638 176.600 -0.187 0.000 1.081 483 E CA 0.616 56.844 56.400 -0.287 0.000 0.781 483 E CB -1.106 28.605 29.700 0.020 0.000 1.372 483 E HN 0.615 nan 8.360 nan 0.000 0.423 484 E N 0.069 120.079 120.200 -0.317 0.000 2.183 484 E HA 0.362 4.712 4.350 -0.001 0.000 0.271 484 E C -0.476 176.025 176.600 -0.165 0.000 0.919 484 E CA -0.561 55.779 56.400 -0.100 0.000 0.781 484 E CB 0.812 30.476 29.700 -0.059 0.000 1.140 484 E HN 0.061 nan 8.360 nan 0.000 0.402 485 Y N 0.305 120.625 120.300 0.033 0.000 2.320 485 Y HA 0.613 5.162 4.550 -0.001 0.000 0.324 485 Y C 1.163 177.091 175.900 0.046 0.000 1.190 485 Y CA 0.278 58.374 58.100 -0.007 0.000 1.215 485 Y CB 1.909 40.429 38.460 0.100 0.000 1.221 485 Y HN 0.668 nan 8.280 nan 0.000 0.486 486 G N 1.102 109.966 108.800 0.106 0.000 2.336 486 G HA2 -0.021 3.938 3.960 -0.001 0.000 0.286 486 G HA3 -0.021 3.938 3.960 -0.001 0.000 0.286 486 G C -1.767 173.231 174.900 0.163 0.000 1.269 486 G CA -1.194 44.046 45.100 0.233 0.000 0.873 486 G HN 0.509 nan 8.290 nan 0.000 0.494 487 N N 1.180 119.971 118.700 0.152 0.000 2.401 487 N HA 0.103 4.843 4.740 -0.001 0.000 0.255 487 N C 1.742 177.272 175.510 0.034 0.000 1.110 487 N CA -0.477 52.639 53.050 0.110 0.000 0.949 487 N CB 0.782 39.327 38.487 0.097 0.000 1.110 487 N HN 0.368 nan 8.380 nan 0.000 0.490 488 M N 3.557 123.161 119.600 0.006 0.000 2.106 488 M HA -0.197 4.283 4.480 -0.001 0.000 0.259 488 M C 1.688 177.981 176.300 -0.011 0.000 1.068 488 M CA 1.244 56.529 55.300 -0.025 0.000 1.100 488 M CB -0.663 31.919 32.600 -0.030 0.000 1.351 488 M HN 0.559 nan 8.290 nan 0.000 0.404 489 I N 0.382 120.956 120.570 0.007 0.000 2.226 489 I HA -0.267 3.903 4.170 -0.001 0.000 0.245 489 I C 1.911 178.032 176.117 0.006 0.000 1.100 489 I CA 1.454 62.758 61.300 0.007 0.000 1.374 489 I CB -1.655 36.355 38.000 0.016 0.000 1.057 489 I HN 0.243 nan 8.210 nan 0.000 0.413 490 D N 0.756 121.164 120.400 0.013 0.000 2.144 490 D HA -0.142 4.498 4.640 -0.001 0.000 0.199 490 D C 2.154 178.454 176.300 0.000 0.000 0.984 490 D CA 1.133 55.140 54.000 0.012 0.000 0.834 490 D CB -0.189 40.625 40.800 0.023 0.000 0.955 490 D HN 0.338 nan 8.370 nan 0.000 0.465 491 M N -0.398 119.197 119.600 -0.009 0.000 2.682 491 M HA 0.122 4.602 4.480 -0.001 0.000 0.235 491 M C 0.975 177.257 176.300 -0.031 0.000 1.114 491 M CA 0.460 55.745 55.300 -0.026 0.000 1.053 491 M CB 0.234 32.806 32.600 -0.047 0.000 1.599 491 M HN 0.051 nan 8.290 nan 0.000 0.520 492 G N 2.045 110.832 108.800 -0.021 0.000 2.198 492 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.260 492 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.260 492 G C -0.016 174.868 174.900 -0.026 0.000 1.025 492 G CA -0.090 44.998 45.100 -0.020 0.000 0.769 492 G HN 0.556 nan 8.290 nan 0.000 0.507 493 I N 0.792 121.342 120.570 -0.033 0.000 2.412 493 I HA 0.505 4.675 4.170 -0.001 0.000 0.279 493 I C 0.225 176.327 176.117 -0.025 0.000 1.063 493 I CA -0.899 60.378 61.300 -0.038 0.000 1.193 493 I CB 0.489 38.451 38.000 -0.063 0.000 1.370 493 I HN 0.214 nan 8.210 nan 0.000 0.479 494 L N 2.856 124.070 121.223 -0.015 0.000 2.322 494 L HA 0.818 5.158 4.340 -0.001 0.000 0.252 494 L C -1.130 175.740 176.870 -0.001 0.000 1.055 494 L CA -0.682 54.155 54.840 -0.006 0.000 0.849 494 L CB 1.474 43.532 42.059 -0.001 0.000 1.446 494 L HN 0.030 nan 8.230 nan 0.000 0.416 495 D N -0.599 119.804 120.400 0.005 0.000 2.819 495 D HA 0.432 5.071 4.640 -0.001 0.000 0.232 495 D C -2.812 173.496 176.300 0.014 0.000 1.160 495 D CA -1.112 52.894 54.000 0.010 0.000 0.858 495 D CB 2.770 43.577 40.800 0.011 0.000 1.610 495 D HN 0.368 nan 8.370 nan 0.000 0.481 496 P HA 0.064 nan 4.420 nan 0.000 0.267 496 P C 0.882 178.194 177.300 0.019 0.000 1.209 496 P CA 0.121 63.233 63.100 0.019 0.000 0.763 496 P CB 0.589 32.304 31.700 0.025 0.000 0.816 497 T N 2.647 117.212 114.554 0.017 0.000 2.760 497 T HA -0.244 4.105 4.350 -0.001 0.000 0.269 497 T C 1.601 176.311 174.700 0.017 0.000 1.047 497 T CA 1.423 63.532 62.100 0.016 0.000 1.139 497 T CB -0.276 68.600 68.868 0.013 0.000 0.855 497 T HN 0.501 nan 8.240 nan 0.000 0.471 498 K N 0.868 121.280 120.400 0.019 0.000 2.097 498 K HA -0.093 4.227 4.320 -0.001 0.000 0.206 498 K C 2.433 179.052 176.600 0.031 0.000 1.049 498 K CA 1.427 57.728 56.287 0.023 0.000 0.933 498 K CB -0.233 32.282 32.500 0.025 0.000 0.717 498 K HN 0.389 nan 8.250 nan 0.000 0.442 499 V N -1.075 118.857 119.914 0.031 0.000 2.453 499 V HA -0.133 3.986 4.120 -0.001 0.000 0.247 499 V C 1.795 177.912 176.094 0.039 0.000 1.048 499 V CA 2.124 64.447 62.300 0.038 0.000 1.049 499 V CB -0.715 31.126 31.823 0.030 0.000 0.672 499 V HN 0.225 nan 8.190 nan 0.000 0.457 500 T N 0.506 115.077 114.554 0.028 0.000 2.737 500 T HA -0.140 4.210 4.350 -0.001 0.000 0.265 500 T C 1.976 176.690 174.700 0.024 0.000 1.038 500 T CA 2.112 64.227 62.100 0.025 0.000 1.144 500 T CB -0.375 68.504 68.868 0.019 0.000 0.866 500 T HN 0.609 nan 8.240 nan 0.000 0.434 501 R N 0.950 121.460 120.500 0.016 0.000 2.080 501 R HA -0.118 4.221 4.340 -0.001 0.000 0.236 501 R C 2.571 178.868 176.300 -0.004 0.000 1.137 501 R CA 1.917 58.017 56.100 0.000 0.000 0.943 501 R CB -0.426 29.870 30.300 -0.007 0.000 0.846 501 R HN 0.247 nan 8.270 nan 0.000 0.431 502 S N 0.644 116.361 115.700 0.028 0.000 2.353 502 S HA -0.188 4.282 4.470 -0.001 0.000 0.222 502 S C 2.084 176.782 174.600 0.163 0.000 1.035 502 S CA 1.313 59.564 58.200 0.085 0.000 1.025 502 S CB -0.489 62.822 63.200 0.184 0.000 0.902 502 S HN 0.599 nan 8.310 nan 0.000 0.440 503 A N 1.422 124.322 122.820 0.132 0.000 1.903 503 A HA -0.156 4.163 4.320 -0.001 0.000 0.219 503 A C 2.178 179.819 177.584 0.095 0.000 1.191 503 A CA 1.858 53.968 52.037 0.121 0.000 0.638 503 A CB -0.887 18.153 19.000 0.067 0.000 0.823 503 A HN 0.410 nan 8.150 nan 0.000 0.451 504 L N -0.267 120.984 121.223 0.047 0.000 1.994 504 L HA -0.198 4.141 4.340 -0.001 0.000 0.208 504 L C 2.594 179.465 176.870 0.003 0.000 1.071 504 L CA 2.462 57.316 54.840 0.023 0.000 0.745 504 L CB -0.841 41.222 42.059 0.007 0.000 0.892 504 L HN 0.535 nan 8.230 nan 0.000 0.431 505 Q N -1.678 118.092 119.800 -0.049 0.000 2.061 505 Q HA -0.253 4.087 4.340 -0.001 0.000 0.204 505 Q C 2.206 178.129 176.000 -0.129 0.000 0.984 505 Q CA 2.165 57.889 55.803 -0.132 0.000 0.846 505 Q CB -0.441 28.147 28.738 -0.250 0.000 0.902 505 Q HN 0.510 nan 8.270 nan 0.000 0.421 506 Y N 0.344 120.643 120.300 -0.003 0.000 2.181 506 Y HA -0.198 4.352 4.550 -0.000 0.000 0.288 506 Y C 2.408 178.307 175.900 -0.002 0.000 1.146 506 Y CA 0.994 59.092 58.100 -0.004 0.000 1.164 506 Y CB -0.676 37.781 38.460 -0.006 0.000 0.982 506 Y HN 0.146 nan 8.280 nan 0.000 0.515 507 A N -0.004 122.906 122.820 0.151 0.000 1.858 507 A HA -0.127 4.193 4.320 -0.001 0.000 0.216 507 A C 2.474 180.091 177.584 0.057 0.000 1.190 507 A CA 1.951 54.039 52.037 0.086 0.000 0.617 507 A CB -1.344 17.692 19.000 0.060 0.000 0.827 507 A HN 0.378 nan 8.150 nan 0.000 0.443 508 A N -0.723 122.118 122.820 0.035 0.000 1.978 508 A HA -0.117 4.202 4.320 -0.001 0.000 0.220 508 A C 2.439 180.034 177.584 0.019 0.000 1.170 508 A CA 2.262 54.309 52.037 0.017 0.000 0.636 508 A CB -0.876 18.124 19.000 -0.001 0.000 0.810 508 A HN 0.615 nan 8.150 nan 0.000 0.448 509 S N -0.890 114.826 115.700 0.028 0.000 2.343 509 S HA -0.138 4.332 4.470 -0.001 0.000 0.219 509 S C 1.983 176.610 174.600 0.045 0.000 1.033 509 S CA 1.732 59.952 58.200 0.033 0.000 1.014 509 S CB -0.636 62.597 63.200 0.055 0.000 0.915 509 S HN 0.596 nan 8.310 nan 0.000 0.435 510 V N 1.833 121.785 119.914 0.063 0.000 2.427 510 V HA 0.018 4.138 4.120 -0.001 0.000 0.248 510 V C 2.604 178.719 176.094 0.034 0.000 1.051 510 V CA 2.023 64.352 62.300 0.048 0.000 1.048 510 V CB -1.089 30.764 31.823 0.050 0.000 0.666 510 V HN 0.603 nan 8.190 nan 0.000 0.456 511 A N 0.060 122.899 122.820 0.032 0.000 1.902 511 A HA -0.028 4.291 4.320 -0.001 0.000 0.217 511 A C 2.360 179.956 177.584 0.019 0.000 1.181 511 A CA 1.843 53.894 52.037 0.024 0.000 0.623 511 A CB -1.372 17.641 19.000 0.022 0.000 0.818 511 A HN 0.652 nan 8.150 nan 0.000 0.443 512 G N -0.236 108.575 108.800 0.019 0.000 2.418 512 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.217 512 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.217 512 G C 1.554 176.464 174.900 0.016 0.000 1.158 512 G CA 0.984 46.093 45.100 0.014 0.000 0.771 512 G HN 0.425 nan 8.290 nan 0.000 0.545 513 L N -0.253 120.981 121.223 0.019 0.000 2.017 513 L HA -0.068 4.272 4.340 -0.001 0.000 0.208 513 L C 3.139 180.020 176.870 0.019 0.000 1.073 513 L CA 1.139 55.990 54.840 0.019 0.000 0.745 513 L CB -0.352 41.720 42.059 0.023 0.000 0.894 513 L HN 0.248 nan 8.230 nan 0.000 0.432 514 M N -0.547 119.065 119.600 0.020 0.000 2.086 514 M HA -0.230 4.249 4.480 -0.001 0.000 0.261 514 M C 2.319 178.629 176.300 0.016 0.000 1.067 514 M CA 1.843 57.154 55.300 0.019 0.000 1.116 514 M CB -0.406 32.206 32.600 0.019 0.000 1.348 514 M HN 0.193 nan 8.290 nan 0.000 0.407 515 I N 0.142 120.721 120.570 0.015 0.000 2.335 515 I HA -0.237 3.932 4.170 -0.001 0.000 0.251 515 I C 1.723 177.849 176.117 0.015 0.000 1.129 515 I CA 1.507 62.815 61.300 0.013 0.000 1.402 515 I CB -0.548 37.459 38.000 0.012 0.000 1.069 515 I HN 0.411 nan 8.210 nan 0.000 0.424 516 T N -3.097 111.466 114.554 0.016 0.000 3.251 516 T HA 0.166 4.516 4.350 -0.001 0.000 0.259 516 T C 0.429 175.142 174.700 0.020 0.000 0.998 516 T CA -0.311 61.800 62.100 0.017 0.000 0.905 516 T CB -0.383 68.495 68.868 0.016 0.000 1.067 516 T HN -0.059 nan 8.240 nan 0.000 0.569 517 T N 1.976 116.542 114.554 0.020 0.000 2.795 517 T HA 0.370 4.719 4.350 -0.001 0.000 0.282 517 T C 0.492 175.207 174.700 0.026 0.000 0.980 517 T CA -0.582 61.531 62.100 0.021 0.000 1.012 517 T CB 1.760 70.639 68.868 0.018 0.000 0.936 517 T HN 0.079 nan 8.240 nan 0.000 0.457 518 E N 0.529 120.751 120.200 0.037 0.000 2.465 518 E HA 0.187 4.537 4.350 -0.001 0.000 0.209 518 E C 0.039 176.679 176.600 0.067 0.000 0.951 518 E CA 0.126 56.568 56.400 0.069 0.000 0.997 518 E CB 0.770 30.529 29.700 0.098 0.000 1.025 518 E HN 0.555 nan 8.360 nan 0.000 0.500 519 C N 0.528 119.824 119.300 -0.007 0.000 2.888 519 C HA 0.695 5.155 4.460 -0.001 0.000 0.308 519 C C -1.356 173.562 174.990 -0.120 0.000 1.213 519 C CA -0.577 58.346 59.018 -0.159 0.000 1.461 519 C CB 0.578 28.218 27.740 -0.167 0.000 1.934 519 C HN 0.133 nan 8.230 nan 0.000 0.474 520 M N 4.888 124.399 119.600 -0.148 0.000 2.327 520 M HA 0.546 5.025 4.480 -0.001 0.000 0.298 520 M C -1.213 175.144 176.300 0.094 0.000 1.065 520 M CA -0.527 54.799 55.300 0.043 0.000 0.916 520 M CB 2.110 34.846 32.600 0.228 0.000 1.630 520 M HN 0.356 nan 8.290 nan 0.000 0.442 521 V N 1.531 121.467 119.914 0.037 0.000 2.444 521 V HA 0.738 4.857 4.120 -0.001 0.000 0.294 521 V C -0.262 175.785 176.094 -0.078 0.000 1.022 521 V CA -0.371 61.928 62.300 -0.002 0.000 0.850 521 V CB 1.865 33.670 31.823 -0.030 0.000 0.992 521 V HN 0.952 nan 8.190 nan 0.000 0.426 522 T N 2.401 116.857 114.554 -0.163 0.000 2.812 522 T HA 0.460 4.809 4.350 -0.001 0.000 0.294 522 T C -1.026 173.558 174.700 -0.194 0.000 1.159 522 T CA -0.512 61.428 62.100 -0.268 0.000 1.008 522 T CB 1.913 70.431 68.868 -0.582 0.000 1.289 522 T HN 0.676 nan 8.240 nan 0.000 0.514 523 D N 0.924 121.221 120.400 -0.171 0.000 2.358 523 D HA 0.419 5.058 4.640 -0.001 0.000 0.244 523 D C -0.389 175.847 176.300 -0.107 0.000 1.163 523 D CA -0.251 53.684 54.000 -0.109 0.000 0.945 523 D CB 0.403 41.152 40.800 -0.085 0.000 1.152 523 D HN 0.161 nan 8.370 nan 0.000 0.451 524 L N 2.786 123.975 121.223 -0.056 0.000 2.367 524 L HA 0.268 4.607 4.340 -0.001 0.000 0.275 524 L C -1.444 175.405 176.870 -0.036 0.000 1.129 524 L CA -1.264 53.557 54.840 -0.032 0.000 0.839 524 L CB -0.294 41.760 42.059 -0.009 0.000 1.133 524 L HN 0.413 nan 8.230 nan 0.000 0.453 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.085 63.100 -0.025 0.000 0.800 525 P CB 0.000 31.695 31.700 -0.008 0.000 0.726