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 2nwc_1_G 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 0.000 177.582 177.584 -0.003 0.000 1.274 2 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 2 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 3 A N 3.087 125.908 122.820 0.001 0.000 2.462 3 A HA 0.614 4.934 4.320 0.000 0.000 0.243 3 A C 0.294 177.881 177.584 0.005 0.000 1.076 3 A CA 0.151 52.193 52.037 0.008 0.000 0.773 3 A CB 0.228 19.235 19.000 0.013 0.000 1.010 3 A HN 0.627 nan 8.150 nan 0.000 0.493 4 K N 1.178 121.586 120.400 0.014 0.000 2.221 4 K HA 0.406 4.726 4.320 0.000 0.000 0.243 4 K C -1.319 175.305 176.600 0.041 0.000 0.968 4 K CA -0.708 55.585 56.287 0.011 0.000 0.846 4 K CB 1.636 34.140 32.500 0.007 0.000 1.141 4 K HN 0.699 nan 8.250 nan 0.000 0.434 5 D N 1.345 121.777 120.400 0.053 0.000 2.349 5 D HA 0.299 4.939 4.640 0.000 0.000 0.232 5 D C -1.191 175.264 176.300 0.259 0.000 1.071 5 D CA -0.519 53.581 54.000 0.166 0.000 0.832 5 D CB 1.049 41.972 40.800 0.205 0.000 1.086 5 D HN 0.054 nan 8.370 nan 0.000 0.504 6 V N 4.419 124.434 119.914 0.168 0.000 2.448 6 V HA 0.463 4.583 4.120 0.000 0.000 0.295 6 V C 0.248 176.248 176.094 -0.157 0.000 1.025 6 V CA -0.774 61.529 62.300 0.005 0.000 0.859 6 V CB 1.743 33.523 31.823 -0.072 0.000 0.988 6 V HN 0.346 nan 8.190 nan 0.000 0.431 7 K N 3.509 123.692 120.400 -0.361 0.000 2.318 7 K HA 0.755 5.075 4.320 0.000 0.000 0.249 7 K C -1.587 174.672 176.600 -0.568 0.000 0.942 7 K CA -0.513 55.502 56.287 -0.453 0.000 0.808 7 K CB 2.465 34.532 32.500 -0.721 0.000 1.189 7 K HN 0.461 nan 8.250 nan 0.000 0.428 8 F N -0.198 119.698 119.950 -0.090 0.000 2.598 8 F HA 0.403 4.930 4.527 0.000 0.000 0.327 8 F C 1.310 177.079 175.800 -0.051 0.000 1.057 8 F CA 0.004 57.975 58.000 -0.047 0.000 0.957 8 F CB 1.550 40.531 39.000 -0.031 0.000 1.278 8 F HN 0.818 nan 8.300 nan 0.000 0.484 9 G N 1.664 110.572 108.800 0.179 0.000 2.684 9 G HA2 -0.471 3.489 3.960 0.000 0.000 0.342 9 G HA3 -0.471 3.489 3.960 0.000 0.000 0.342 9 G C 1.320 176.243 174.900 0.038 0.000 1.316 9 G CA 1.012 46.166 45.100 0.090 0.000 0.994 9 G HN 0.867 nan 8.290 nan 0.000 0.541 10 N N 0.384 119.100 118.700 0.026 0.000 2.061 10 N HA -0.211 4.529 4.740 0.000 0.000 0.193 10 N C 1.874 177.375 175.510 -0.014 0.000 1.030 10 N CA 2.370 55.423 53.050 0.006 0.000 0.856 10 N CB -0.332 38.158 38.487 0.004 0.000 1.023 10 N HN 0.575 nan 8.380 nan 0.000 0.424 11 D N 0.463 120.850 120.400 -0.021 0.000 2.116 11 D HA -0.127 4.513 4.640 0.000 0.000 0.193 11 D C 1.874 178.103 176.300 -0.118 0.000 0.998 11 D CA 1.647 55.608 54.000 -0.065 0.000 0.836 11 D CB -0.422 40.339 40.800 -0.064 0.000 0.951 11 D HN 0.420 nan 8.370 nan 0.000 0.449 12 A N 0.874 123.624 122.820 -0.117 0.000 1.883 12 A HA -0.211 4.109 4.320 0.000 0.000 0.217 12 A C 2.249 179.796 177.584 -0.063 0.000 1.186 12 A CA 2.387 54.337 52.037 -0.145 0.000 0.624 12 A CB -0.693 18.242 19.000 -0.108 0.000 0.822 12 A HN 0.507 nan 8.150 nan 0.000 0.444 13 R N 0.155 120.638 120.500 -0.029 0.000 2.193 13 R HA 0.009 4.349 4.340 0.000 0.000 0.213 13 R C 1.689 177.987 176.300 -0.004 0.000 1.055 13 R CA 1.312 57.409 56.100 -0.005 0.000 0.995 13 R CB -1.008 29.294 30.300 0.005 0.000 0.893 13 R HN 0.466 nan 8.270 nan 0.000 0.459 14 V N -0.621 119.284 119.914 -0.015 0.000 2.427 14 V HA -0.087 4.033 4.120 0.000 0.000 0.248 14 V C 1.962 178.054 176.094 -0.003 0.000 1.051 14 V CA 1.106 63.400 62.300 -0.009 0.000 1.048 14 V CB -0.430 31.385 31.823 -0.014 0.000 0.666 14 V HN 0.080 nan 8.190 nan 0.000 0.456 15 K N -0.036 120.356 120.400 -0.014 0.000 2.026 15 K HA -0.092 4.228 4.320 0.000 0.000 0.208 15 K C 2.181 178.811 176.600 0.050 0.000 1.048 15 K CA 2.226 58.524 56.287 0.019 0.000 0.929 15 K CB -0.531 31.973 32.500 0.005 0.000 0.713 15 K HN 0.543 nan 8.250 nan 0.000 0.439 16 M N 0.536 120.162 119.600 0.044 0.000 2.086 16 M HA -0.184 4.297 4.480 0.000 0.000 0.261 16 M C 2.133 178.453 176.300 0.033 0.000 1.067 16 M CA 1.170 56.499 55.300 0.049 0.000 1.116 16 M CB -0.136 32.489 32.600 0.042 0.000 1.348 16 M HN 0.060 nan 8.290 nan 0.000 0.407 17 L N 0.140 121.377 121.223 0.023 0.000 2.017 17 L HA -0.195 4.145 4.340 0.000 0.000 0.208 17 L C 2.327 179.208 176.870 0.018 0.000 1.073 17 L CA 1.938 56.788 54.840 0.018 0.000 0.745 17 L CB -0.710 41.357 42.059 0.013 0.000 0.894 17 L HN 0.217 nan 8.230 nan 0.000 0.432 18 R N -0.365 120.147 120.500 0.019 0.000 2.105 18 R HA -0.118 4.222 4.340 0.000 0.000 0.239 18 R C 2.202 178.516 176.300 0.022 0.000 1.135 18 R CA 1.609 57.720 56.100 0.020 0.000 0.967 18 R CB -1.008 29.306 30.300 0.022 0.000 0.861 18 R HN 0.550 nan 8.270 nan 0.000 0.442 19 G N -0.446 108.372 108.800 0.029 0.000 2.418 19 G HA2 -0.233 3.727 3.960 0.000 0.000 0.217 19 G HA3 -0.233 3.727 3.960 0.000 0.000 0.217 19 G C 1.369 176.280 174.900 0.019 0.000 1.158 19 G CA 0.961 46.077 45.100 0.027 0.000 0.771 19 G HN 0.371 nan 8.290 nan 0.000 0.545 20 V N -0.233 119.692 119.914 0.018 0.000 2.667 20 V HA -0.046 4.074 4.120 0.000 0.000 0.252 20 V C 2.190 178.291 176.094 0.011 0.000 1.065 20 V CA 2.017 64.326 62.300 0.014 0.000 1.083 20 V CB -0.504 31.328 31.823 0.016 0.000 0.692 20 V HN 0.167 nan 8.190 nan 0.000 0.468 21 N N 1.162 119.869 118.700 0.012 0.000 2.120 21 N HA -0.105 4.635 4.740 0.000 0.000 0.188 21 N C 1.793 177.308 175.510 0.008 0.000 1.024 21 N CA 1.886 54.941 53.050 0.010 0.000 0.852 21 N CB -0.595 37.898 38.487 0.010 0.000 1.003 21 N HN 0.520 nan 8.380 nan 0.000 0.424 22 V N 1.290 121.209 119.914 0.008 0.000 2.307 22 V HA -0.169 3.951 4.120 0.000 0.000 0.245 22 V C 2.374 178.470 176.094 0.003 0.000 1.045 22 V CA 1.051 63.354 62.300 0.006 0.000 1.024 22 V CB -0.638 31.190 31.823 0.007 0.000 0.651 22 V HN 0.189 nan 8.190 nan 0.000 0.449 23 L N 1.109 122.334 121.223 0.004 0.000 1.970 23 L HA -0.119 4.221 4.340 0.000 0.000 0.212 23 L C 2.483 179.353 176.870 0.000 0.000 1.071 23 L CA 2.583 57.423 54.840 0.001 0.000 0.751 23 L CB -1.045 41.014 42.059 0.001 0.000 0.889 23 L HN 0.209 nan 8.230 nan 0.000 0.432 24 A N -0.834 121.988 122.820 0.003 0.000 1.902 24 A HA -0.231 4.089 4.320 0.000 0.000 0.217 24 A C 1.985 179.571 177.584 0.003 0.000 1.181 24 A CA 1.952 53.991 52.037 0.004 0.000 0.623 24 A CB -0.984 18.020 19.000 0.007 0.000 0.818 24 A HN 0.586 nan 8.150 nan 0.000 0.443 25 D N -0.042 120.360 120.400 0.003 0.000 2.178 25 D HA -0.005 4.635 4.640 0.000 0.000 0.201 25 D C 2.101 178.401 176.300 0.000 0.000 0.980 25 D CA 1.352 55.353 54.000 0.002 0.000 0.842 25 D CB -0.318 40.483 40.800 0.003 0.000 0.948 25 D HN 0.450 nan 8.370 nan 0.000 0.472 26 A N 0.115 122.934 122.820 -0.001 0.000 1.929 26 A HA -0.046 4.274 4.320 0.000 0.000 0.216 26 A C 2.387 179.968 177.584 -0.005 0.000 1.176 26 A CA 0.788 52.823 52.037 -0.004 0.000 0.628 26 A CB -0.302 18.695 19.000 -0.005 0.000 0.816 26 A HN 0.156 nan 8.150 nan 0.000 0.444 27 V N 0.881 120.792 119.914 -0.004 0.000 2.685 27 V HA -0.130 3.990 4.120 0.000 0.000 0.244 27 V C 2.495 178.587 176.094 -0.003 0.000 1.054 27 V CA 1.789 64.085 62.300 -0.005 0.000 1.076 27 V CB -0.298 31.522 31.823 -0.006 0.000 0.725 27 V HN 0.798 nan 8.190 nan 0.000 0.467 28 K N 1.399 121.799 120.400 -0.000 0.000 2.280 28 K HA -0.110 4.210 4.320 0.000 0.000 0.202 28 K C 1.782 178.383 176.600 0.002 0.000 1.047 28 K CA 1.901 58.189 56.287 0.002 0.000 0.942 28 K CB -0.575 31.928 32.500 0.004 0.000 0.739 28 K HN 0.493 nan 8.250 nan 0.000 0.457 29 V N 0.076 119.991 119.914 0.000 0.000 3.141 29 V HA -0.099 4.021 4.120 0.000 0.000 0.265 29 V C 2.118 178.211 176.094 -0.001 0.000 1.126 29 V CA 1.638 63.938 62.300 0.000 0.000 1.141 29 V CB -1.039 30.783 31.823 -0.001 0.000 0.743 29 V HN 0.520 nan 8.190 nan 0.000 0.492 30 T N -2.432 112.120 114.554 -0.002 0.000 3.100 30 T HA 0.255 4.605 4.350 0.000 0.000 0.253 30 T C 0.520 175.219 174.700 -0.002 0.000 1.118 30 T CA -0.109 61.988 62.100 -0.004 0.000 1.058 30 T CB -0.194 68.669 68.868 -0.007 0.000 0.953 30 T HN 0.331 nan 8.240 nan 0.000 0.515 31 L N 2.525 123.749 121.223 0.001 0.000 2.367 31 L HA 0.574 4.914 4.340 0.000 0.000 0.275 31 L C 0.932 177.806 176.870 0.007 0.000 1.129 31 L CA 1.475 56.317 54.840 0.004 0.000 0.839 31 L CB -0.206 41.857 42.059 0.008 0.000 1.133 31 L HN 0.690 nan 8.230 nan 0.000 0.453 32 G N 4.385 113.188 108.800 0.005 0.000 2.796 32 G HA2 -0.184 3.777 3.960 0.000 0.000 0.571 32 G HA3 -0.184 3.777 3.960 0.000 0.000 0.571 32 G C -2.004 172.893 174.900 -0.005 0.000 1.370 32 G CA -0.391 44.712 45.100 0.004 0.000 0.856 32 G HN 0.517 nan 8.290 nan 0.000 0.538 33 P HA 0.041 nan 4.420 nan 0.000 0.217 33 P C 1.256 178.546 177.300 -0.016 0.000 1.150 33 P CA 1.434 64.520 63.100 -0.023 0.000 0.832 33 P CB 0.087 31.761 31.700 -0.042 0.000 0.787 34 K N 0.150 120.546 120.400 -0.008 0.000 2.684 34 K HA 0.232 4.552 4.320 0.000 0.000 0.215 34 K C 0.774 177.374 176.600 0.000 0.000 1.073 34 K CA -0.299 55.986 56.287 -0.003 0.000 1.197 34 K CB -0.065 32.438 32.500 0.004 0.000 0.955 34 K HN 0.087 nan 8.250 nan 0.000 0.473 35 G N 1.386 110.185 108.800 -0.002 0.000 2.432 35 G HA2 0.002 3.962 3.960 0.000 0.000 0.239 35 G HA3 0.002 3.962 3.960 0.000 0.000 0.239 35 G C 0.175 175.073 174.900 -0.004 0.000 1.291 35 G CA -0.413 44.685 45.100 -0.002 0.000 0.863 35 G HN 0.177 nan 8.290 nan 0.000 0.560 36 R N 1.103 121.601 120.500 -0.003 0.000 2.546 36 R HA 0.178 4.518 4.340 0.000 0.000 0.266 36 R C 0.061 176.357 176.300 -0.008 0.000 1.086 36 R CA -0.665 55.432 56.100 -0.005 0.000 1.160 36 R CB 0.429 30.727 30.300 -0.004 0.000 1.138 36 R HN 0.632 nan 8.270 nan 0.000 0.567 37 N N -0.742 117.952 118.700 -0.009 0.000 2.529 37 N HA 0.237 4.977 4.740 0.000 0.000 0.278 37 N C -0.884 174.618 175.510 -0.012 0.000 1.146 37 N CA -0.310 52.733 53.050 -0.012 0.000 0.980 37 N CB 1.173 39.653 38.487 -0.013 0.000 1.124 37 N HN 0.108 nan 8.380 nan 0.000 0.458 38 V N 2.136 122.041 119.914 -0.014 0.000 2.495 38 V HA 0.343 4.464 4.120 0.000 0.000 0.298 38 V C -0.301 175.781 176.094 -0.020 0.000 1.031 38 V CA -0.821 61.469 62.300 -0.015 0.000 0.871 38 V CB 1.780 33.595 31.823 -0.015 0.000 0.988 38 V HN 0.324 nan 8.190 nan 0.000 0.432 39 V N 6.428 126.329 119.914 -0.021 0.000 2.370 39 V HA 0.464 4.584 4.120 0.000 0.000 0.279 39 V C -0.219 175.857 176.094 -0.030 0.000 1.029 39 V CA -0.392 61.892 62.300 -0.027 0.000 0.870 39 V CB 1.263 33.071 31.823 -0.026 0.000 0.984 39 V HN 0.622 nan 8.190 nan 0.000 0.451 40 L N 3.842 125.042 121.223 -0.038 0.000 2.305 40 L HA 0.534 4.874 4.340 0.000 0.000 0.284 40 L C -0.172 176.662 176.870 -0.059 0.000 1.013 40 L CA -0.596 54.219 54.840 -0.042 0.000 0.819 40 L CB 1.633 43.668 42.059 -0.040 0.000 1.227 40 L HN 0.476 nan 8.230 nan 0.000 0.417 41 D N 3.707 124.075 120.400 -0.054 0.000 2.390 41 D HA 0.125 4.765 4.640 0.000 0.000 0.249 41 D C -0.534 175.704 176.300 -0.102 0.000 1.144 41 D CA 0.026 53.984 54.000 -0.070 0.000 0.880 41 D CB 0.965 41.739 40.800 -0.044 0.000 1.182 41 D HN 0.174 nan 8.370 nan 0.000 0.451 42 K N 1.913 122.202 120.400 -0.185 0.000 2.367 42 K HA 0.143 4.463 4.320 0.000 0.000 0.263 42 K C 0.843 177.266 176.600 -0.295 0.000 1.000 42 K CA -0.429 55.655 56.287 -0.339 0.000 0.891 42 K CB 1.257 33.361 32.500 -0.661 0.000 1.117 42 K HN 0.344 nan 8.250 nan 0.000 0.443 43 S N 1.343 117.023 115.700 -0.033 0.000 2.547 43 S HA -0.136 4.334 4.470 0.000 0.000 0.255 43 S C 0.461 175.197 174.600 0.227 0.000 0.977 43 S CA 0.494 58.770 58.200 0.126 0.000 0.960 43 S CB -1.028 62.291 63.200 0.199 0.000 0.746 43 S HN 0.476 nan 8.310 nan 0.000 0.532 44 F N -1.289 118.659 119.950 -0.003 0.000 2.612 44 F HA 0.799 5.326 4.527 -0.000 0.000 0.332 44 F C 0.553 176.351 175.800 -0.003 0.000 1.167 44 F CA -0.924 57.074 58.000 -0.003 0.000 0.970 44 F CB 0.852 39.850 39.000 -0.002 0.000 1.234 44 F HN 0.279 nan 8.300 nan 0.000 0.453 45 G N 1.436 110.231 108.800 -0.007 0.000 2.481 45 G HA2 0.316 4.276 3.960 0.000 0.000 0.230 45 G HA3 0.316 4.276 3.960 0.000 0.000 0.230 45 G C -0.532 174.308 174.900 -0.100 0.000 1.210 45 G CA -0.086 44.982 45.100 -0.054 0.000 0.936 45 G HN 1.663 nan 8.290 nan 0.000 0.583 46 A N 1.167 123.922 122.820 -0.109 0.000 2.302 46 A HA 0.821 5.141 4.320 0.000 0.000 0.285 46 A C -1.668 175.838 177.584 -0.130 0.000 1.105 46 A CA -0.359 51.621 52.037 -0.095 0.000 0.816 46 A CB 0.273 19.234 19.000 -0.066 0.000 1.067 46 A HN 0.707 nan 8.150 nan 0.000 0.489 47 P HA 0.320 nan 4.420 nan 0.000 0.274 47 P C -0.393 176.853 177.300 -0.090 0.000 1.237 47 P CA -0.078 62.962 63.100 -0.101 0.000 0.793 47 P CB 0.480 32.139 31.700 -0.069 0.000 0.977 48 T N 1.977 116.478 114.554 -0.088 0.000 2.771 48 T HA 0.440 4.791 4.350 0.000 0.000 0.291 48 T C 0.310 174.981 174.700 -0.049 0.000 0.954 48 T CA -0.145 61.915 62.100 -0.068 0.000 1.045 48 T CB -0.169 68.657 68.868 -0.069 0.000 0.917 48 T HN 0.172 nan 8.240 nan 0.000 0.484 49 I N 2.959 123.506 120.570 -0.039 0.000 2.321 49 I HA 0.477 4.647 4.170 0.000 0.000 0.291 49 I C 0.519 176.621 176.117 -0.026 0.000 0.998 49 I CA -0.368 60.914 61.300 -0.030 0.000 1.227 49 I CB 1.624 39.608 38.000 -0.026 0.000 1.368 49 I HN 0.488 nan 8.210 nan 0.000 0.466 50 T N 4.482 119.023 114.554 -0.023 0.000 2.894 50 T HA 0.382 4.732 4.350 0.000 0.000 0.309 50 T C -0.031 174.659 174.700 -0.017 0.000 1.208 50 T CA -0.631 61.457 62.100 -0.020 0.000 1.016 50 T CB 1.549 70.404 68.868 -0.022 0.000 1.192 50 T HN 0.635 nan 8.240 nan 0.000 0.491 51 K N 1.485 121.876 120.400 -0.015 0.000 2.414 51 K HA 0.199 4.519 4.320 0.000 0.000 0.204 51 K C -0.423 176.169 176.600 -0.013 0.000 1.026 51 K CA -0.354 55.925 56.287 -0.013 0.000 1.108 51 K CB 0.500 32.993 32.500 -0.012 0.000 0.855 51 K HN 0.379 nan 8.250 nan 0.000 0.517 52 D N 0.551 120.943 120.400 -0.015 0.000 2.380 52 D HA 0.081 4.721 4.640 0.000 0.000 0.230 52 D C 1.052 177.342 176.300 -0.017 0.000 1.154 52 D CA -0.058 53.932 54.000 -0.016 0.000 0.859 52 D CB 1.409 42.199 40.800 -0.017 0.000 1.045 52 D HN 0.276 nan 8.370 nan 0.000 0.495 53 G N 2.646 111.436 108.800 -0.016 0.000 2.462 53 G HA2 -0.194 3.766 3.960 0.000 0.000 0.220 53 G HA3 -0.194 3.766 3.960 0.000 0.000 0.220 53 G C 1.577 176.465 174.900 -0.020 0.000 1.121 53 G CA 0.459 45.550 45.100 -0.016 0.000 0.758 53 G HN 0.480 nan 8.290 nan 0.000 0.559 54 V N 0.982 120.881 119.914 -0.024 0.000 2.307 54 V HA -0.155 3.965 4.120 0.000 0.000 0.245 54 V C 3.070 179.148 176.094 -0.027 0.000 1.045 54 V CA 2.178 64.461 62.300 -0.030 0.000 1.024 54 V CB -0.435 31.367 31.823 -0.036 0.000 0.651 54 V HN 0.370 nan 8.190 nan 0.000 0.449 55 S N -0.096 115.590 115.700 -0.024 0.000 2.382 55 S HA -0.147 4.323 4.470 0.000 0.000 0.228 55 S C 1.989 176.576 174.600 -0.022 0.000 1.027 55 S CA 1.392 59.578 58.200 -0.023 0.000 0.991 55 S CB -0.157 63.030 63.200 -0.021 0.000 0.823 55 S HN 0.386 nan 8.310 nan 0.000 0.469 56 V N 2.074 121.976 119.914 -0.020 0.000 2.307 56 V HA -0.163 3.958 4.120 0.000 0.000 0.245 56 V C 2.713 178.796 176.094 -0.018 0.000 1.045 56 V CA 1.633 63.922 62.300 -0.018 0.000 1.024 56 V CB -1.287 30.527 31.823 -0.016 0.000 0.651 56 V HN 0.533 nan 8.190 nan 0.000 0.449 57 A N 0.039 122.848 122.820 -0.019 0.000 1.908 57 A HA -0.300 4.020 4.320 0.000 0.000 0.218 57 A C 2.411 179.982 177.584 -0.021 0.000 1.181 57 A CA 2.265 54.290 52.037 -0.019 0.000 0.627 57 A CB -0.657 18.329 19.000 -0.023 0.000 0.818 57 A HN 0.478 nan 8.150 nan 0.000 0.445 58 R N -0.516 119.970 120.500 -0.024 0.000 2.105 58 R HA -0.154 4.186 4.340 0.000 0.000 0.239 58 R C 1.590 177.877 176.300 -0.022 0.000 1.135 58 R CA 1.624 57.709 56.100 -0.026 0.000 0.967 58 R CB -0.139 30.145 30.300 -0.028 0.000 0.861 58 R HN 0.492 nan 8.270 nan 0.000 0.442 59 E N 0.269 120.458 120.200 -0.018 0.000 2.358 59 E HA -0.041 4.309 4.350 0.000 0.000 0.195 59 E C 0.327 176.920 176.600 -0.012 0.000 1.010 59 E CA 0.241 56.633 56.400 -0.014 0.000 0.856 59 E CB 0.152 29.843 29.700 -0.015 0.000 0.795 59 E HN 0.265 nan 8.360 nan 0.000 0.504 60 I N 2.301 122.864 120.570 -0.012 0.000 2.505 60 I HA 0.093 4.263 4.170 0.000 0.000 0.287 60 I C 0.403 176.515 176.117 -0.009 0.000 1.104 60 I CA 0.409 61.703 61.300 -0.009 0.000 1.387 60 I CB -0.137 37.858 38.000 -0.008 0.000 1.404 60 I HN -0.038 nan 8.210 nan 0.000 0.528 61 E N 7.046 127.242 120.200 -0.007 0.000 2.321 61 E HA 0.547 4.897 4.350 0.000 0.000 0.278 61 E C -1.781 174.816 176.600 -0.005 0.000 0.902 61 E CA -0.612 55.783 56.400 -0.007 0.000 0.758 61 E CB 2.215 31.910 29.700 -0.008 0.000 1.213 61 E HN 0.431 nan 8.360 nan 0.000 0.426 62 L N 3.132 124.353 121.223 -0.005 0.000 2.330 62 L HA 0.406 4.746 4.340 0.000 0.000 0.271 62 L C 1.396 178.264 176.870 -0.003 0.000 1.013 62 L CA -0.576 54.264 54.840 0.000 0.000 0.816 62 L CB 1.729 43.793 42.059 0.007 0.000 1.287 62 L HN 0.734 nan 8.230 nan 0.000 0.435 63 E N 0.597 120.799 120.200 0.003 0.000 2.047 63 E HA -0.164 4.186 4.350 0.000 0.000 0.191 63 E C 0.421 177.023 176.600 0.002 0.000 0.987 63 E CA 0.582 56.982 56.400 0.001 0.000 0.799 63 E CB 0.272 29.976 29.700 0.007 0.000 0.752 63 E HN 0.640 nan 8.360 nan 0.000 0.449 64 D N 0.707 121.119 120.400 0.021 0.000 2.412 64 D HA -0.055 4.585 4.640 0.000 0.000 0.257 64 D C 0.423 176.733 176.300 0.016 0.000 1.217 64 D CA 0.284 54.311 54.000 0.045 0.000 0.897 64 D CB 0.889 41.738 40.800 0.082 0.000 1.132 64 D HN 0.096 nan 8.370 nan 0.000 0.493 65 K N 2.936 123.303 120.400 -0.055 0.000 2.211 65 K HA -0.108 4.212 4.320 0.000 0.000 0.203 65 K C 1.628 178.084 176.600 -0.240 0.000 1.050 65 K CA 0.928 57.102 56.287 -0.188 0.000 0.945 65 K CB 0.127 32.445 32.500 -0.304 0.000 0.732 65 K HN 0.425 nan 8.250 nan 0.000 0.451 66 F N 1.552 121.491 119.950 -0.017 0.000 2.187 66 F HA -0.046 4.481 4.527 0.000 0.000 0.295 66 F C 2.154 177.944 175.800 -0.016 0.000 1.091 66 F CA 0.978 58.965 58.000 -0.021 0.000 1.308 66 F CB -0.248 38.737 39.000 -0.024 0.000 1.030 66 F HN 0.006 nan 8.300 nan 0.000 0.487 67 E N 0.106 120.408 120.200 0.170 0.000 2.077 67 E HA -0.257 4.093 4.350 0.000 0.000 0.193 67 E C 1.820 178.448 176.600 0.047 0.000 0.989 67 E CA 1.350 57.804 56.400 0.090 0.000 0.800 67 E CB -0.365 29.376 29.700 0.069 0.000 0.746 67 E HN 0.304 nan 8.360 nan 0.000 0.452 68 N N 0.764 119.478 118.700 0.022 0.000 2.104 68 N HA -0.174 4.566 4.740 0.000 0.000 0.190 68 N C 1.768 177.275 175.510 -0.006 0.000 1.024 68 N CA 1.355 54.404 53.050 -0.003 0.000 0.853 68 N CB -0.042 38.429 38.487 -0.026 0.000 1.008 68 N HN 0.058 nan 8.380 nan 0.000 0.424 69 M N -0.476 119.118 119.600 -0.010 0.000 2.106 69 M HA -0.102 4.378 4.480 0.000 0.000 0.259 69 M C 2.149 178.458 176.300 0.015 0.000 1.068 69 M CA 1.853 57.150 55.300 -0.006 0.000 1.100 69 M CB -0.727 31.870 32.600 -0.005 0.000 1.351 69 M HN 0.356 nan 8.290 nan 0.000 0.404 70 G N -0.160 108.660 108.800 0.033 0.000 2.514 70 G HA2 -0.252 3.708 3.960 0.000 0.000 0.217 70 G HA3 -0.252 3.708 3.960 0.000 0.000 0.217 70 G C 1.585 176.496 174.900 0.018 0.000 1.198 70 G CA 1.279 46.397 45.100 0.030 0.000 0.780 70 G HN 0.572 nan 8.290 nan 0.000 0.565 71 A N -0.196 122.632 122.820 0.014 0.000 1.883 71 A HA -0.113 4.207 4.320 0.000 0.000 0.217 71 A C 2.422 180.006 177.584 0.000 0.000 1.186 71 A CA 2.198 54.238 52.037 0.006 0.000 0.624 71 A CB -0.444 18.558 19.000 0.003 0.000 0.822 71 A HN 0.342 nan 8.150 nan 0.000 0.444 72 Q N -0.802 118.997 119.800 -0.003 0.000 2.170 72 Q HA -0.091 4.249 4.340 0.000 0.000 0.203 72 Q C 2.115 178.112 176.000 -0.006 0.000 0.976 72 Q CA 1.385 57.183 55.803 -0.008 0.000 0.858 72 Q CB -0.524 28.206 28.738 -0.013 0.000 0.907 72 Q HN 0.778 nan 8.270 nan 0.000 0.433 73 M N -0.291 119.310 119.600 0.001 0.000 2.067 73 M HA -0.148 4.332 4.480 0.000 0.000 0.260 73 M C 2.247 178.552 176.300 0.007 0.000 1.069 73 M CA 1.526 56.830 55.300 0.007 0.000 1.117 73 M CB -0.294 32.315 32.600 0.015 0.000 1.334 73 M HN 0.175 nan 8.290 nan 0.000 0.407 74 V N -0.484 119.434 119.914 0.008 0.000 2.591 74 V HA -0.184 3.937 4.120 0.000 0.000 0.249 74 V C 1.954 178.043 176.094 -0.008 0.000 1.053 74 V CA 1.646 63.951 62.300 0.008 0.000 1.068 74 V CB -0.468 31.364 31.823 0.014 0.000 0.689 74 V HN 0.407 nan 8.190 nan 0.000 0.462 75 K N -0.240 120.152 120.400 -0.013 0.000 2.044 75 K HA -0.202 4.118 4.320 0.000 0.000 0.210 75 K C 2.356 178.931 176.600 -0.040 0.000 1.049 75 K CA 2.125 58.397 56.287 -0.025 0.000 0.927 75 K CB -0.228 32.259 32.500 -0.021 0.000 0.713 75 K HN 0.529 nan 8.250 nan 0.000 0.443 76 E N 0.301 120.481 120.200 -0.034 0.000 2.051 76 E HA -0.167 4.183 4.350 0.000 0.000 0.192 76 E C 2.070 178.621 176.600 -0.080 0.000 0.991 76 E CA 1.249 57.622 56.400 -0.046 0.000 0.799 76 E CB 0.021 29.707 29.700 -0.024 0.000 0.748 76 E HN 0.076 nan 8.360 nan 0.000 0.449 77 V N 1.118 120.998 119.914 -0.057 0.000 2.379 77 V HA -0.187 3.933 4.120 0.000 0.000 0.245 77 V C 2.437 178.421 176.094 -0.183 0.000 1.044 77 V CA 1.555 63.809 62.300 -0.075 0.000 1.036 77 V CB -0.730 31.125 31.823 0.054 0.000 0.664 77 V HN 0.243 nan 8.190 nan 0.000 0.453 78 A N 0.891 123.653 122.820 -0.098 0.000 1.902 78 A HA -0.227 4.093 4.320 0.000 0.000 0.217 78 A C 2.567 180.055 177.584 -0.161 0.000 1.181 78 A CA 2.296 54.275 52.037 -0.097 0.000 0.623 78 A CB -0.807 18.167 19.000 -0.043 0.000 0.818 78 A HN 0.677 nan 8.150 nan 0.000 0.443 79 S N -0.147 115.461 115.700 -0.153 0.000 2.419 79 S HA -0.176 4.294 4.470 0.000 0.000 0.233 79 S C 1.786 176.255 174.600 -0.218 0.000 1.016 79 S CA 1.520 59.632 58.200 -0.147 0.000 0.974 79 S CB -0.384 62.755 63.200 -0.102 0.000 0.786 79 S HN 0.604 nan 8.310 nan 0.000 0.492 80 K N 1.300 121.482 120.400 -0.364 0.000 2.147 80 K HA 0.093 4.413 4.320 0.000 0.000 0.205 80 K C 2.510 178.787 176.600 -0.538 0.000 1.049 80 K CA 1.028 57.000 56.287 -0.526 0.000 0.936 80 K CB -0.516 31.455 32.500 -0.882 0.000 0.722 80 K HN 0.525 nan 8.250 nan 0.000 0.446 81 A N 1.736 124.253 122.820 -0.505 0.000 1.877 81 A HA -0.244 4.076 4.320 0.000 0.000 0.216 81 A C 1.907 179.439 177.584 -0.085 0.000 1.186 81 A CA 2.001 53.954 52.037 -0.141 0.000 0.620 81 A CB -0.714 18.276 19.000 -0.017 0.000 0.822 81 A HN 0.284 nan 8.150 nan 0.000 0.443 82 N N -0.039 118.591 118.700 -0.117 0.000 2.166 82 N HA -0.132 4.608 4.740 0.000 0.000 0.186 82 N C 1.186 176.619 175.510 -0.129 0.000 1.019 82 N CA 1.538 54.521 53.050 -0.111 0.000 0.856 82 N CB -0.159 38.262 38.487 -0.110 0.000 0.993 82 N HN 0.438 nan 8.380 nan 0.000 0.426 83 D N -0.246 120.079 120.400 -0.125 0.000 2.117 83 D HA -0.088 4.552 4.640 0.000 0.000 0.197 83 D C 1.724 177.991 176.300 -0.055 0.000 0.987 83 D CA 1.152 55.093 54.000 -0.098 0.000 0.829 83 D CB -0.362 40.380 40.800 -0.097 0.000 0.961 83 D HN 0.354 nan 8.370 nan 0.000 0.460 84 A N 0.444 123.247 122.820 -0.027 0.000 1.929 84 A HA 0.195 4.515 4.320 0.000 0.000 0.216 84 A C 2.061 179.666 177.584 0.034 0.000 1.176 84 A CA 1.874 53.933 52.037 0.037 0.000 0.628 84 A CB -0.057 19.015 19.000 0.121 0.000 0.816 84 A HN 0.244 nan 8.150 nan 0.000 0.444 85 A N -3.246 119.578 122.820 0.007 0.000 2.390 85 A HA 0.472 4.792 4.320 0.000 0.000 0.225 85 A C 1.666 179.237 177.584 -0.022 0.000 1.232 85 A CA 1.020 53.066 52.037 0.015 0.000 0.964 85 A CB -0.097 18.922 19.000 0.031 0.000 1.064 85 A HN 1.833 nan 8.150 nan 0.000 0.525 86 G N -0.850 107.876 108.800 -0.123 0.000 2.176 86 G HA2 -0.170 3.791 3.960 0.000 0.000 0.253 86 G HA3 -0.170 3.791 3.960 0.000 0.000 0.253 86 G C -0.153 174.663 174.900 -0.139 0.000 0.979 86 G CA 0.625 45.573 45.100 -0.253 0.000 0.641 86 G HN 0.899 nan 8.290 nan 0.000 0.530 87 D N -2.772 117.582 120.400 -0.076 0.000 2.710 87 D HA 0.589 5.229 4.640 0.000 0.000 0.276 87 D C 0.805 177.090 176.300 -0.025 0.000 1.267 87 D CA 1.363 55.336 54.000 -0.044 0.000 0.772 87 D CB 0.487 41.276 40.800 -0.019 0.000 1.299 87 D HN 1.375 nan 8.370 nan 0.000 0.421 88 G N -0.131 108.659 108.800 -0.017 0.000 2.192 88 G HA2 -0.245 3.715 3.960 0.000 0.000 0.193 88 G HA3 -0.245 3.715 3.960 0.000 0.000 0.193 88 G C 1.098 175.995 174.900 -0.005 0.000 0.999 88 G CA 0.709 45.809 45.100 0.000 0.000 0.659 88 G HN 0.548 nan 8.290 nan 0.000 0.503 89 T N 1.206 115.744 114.554 -0.026 0.000 2.652 89 T HA -0.105 4.245 4.350 0.000 0.000 0.267 89 T C 2.588 177.278 174.700 -0.017 0.000 1.039 89 T CA 2.503 64.583 62.100 -0.033 0.000 1.153 89 T CB -0.448 68.391 68.868 -0.049 0.000 0.863 89 T HN 0.448 nan 8.240 nan 0.000 0.428 90 T N 1.753 116.299 114.554 -0.013 0.000 2.684 90 T HA -0.126 4.224 4.350 0.000 0.000 0.267 90 T C 2.262 176.964 174.700 0.003 0.000 1.036 90 T CA 1.751 63.847 62.100 -0.006 0.000 1.148 90 T CB -0.762 68.102 68.868 -0.006 0.000 0.863 90 T HN 0.418 nan 8.240 nan 0.000 0.436 91 T N 2.159 116.718 114.554 0.007 0.000 2.708 91 T HA -0.060 4.290 4.350 0.000 0.000 0.266 91 T C 2.434 177.148 174.700 0.023 0.000 1.037 91 T CA 1.231 63.340 62.100 0.016 0.000 1.146 91 T CB -0.680 68.199 68.868 0.019 0.000 0.865 91 T HN 0.442 nan 8.240 nan 0.000 0.435 92 A N 1.400 124.237 122.820 0.027 0.000 1.948 92 A HA -0.176 4.144 4.320 0.000 0.000 0.220 92 A C 2.549 180.151 177.584 0.030 0.000 1.177 92 A CA 2.242 54.304 52.037 0.041 0.000 0.636 92 A CB -1.316 17.715 19.000 0.052 0.000 0.815 92 A HN 0.509 nan 8.150 nan 0.000 0.449 93 T N -0.407 114.157 114.554 0.016 0.000 2.737 93 T HA -0.120 4.231 4.350 0.000 0.000 0.265 93 T C 2.004 176.712 174.700 0.014 0.000 1.038 93 T CA 1.876 63.983 62.100 0.012 0.000 1.144 93 T CB -0.730 68.140 68.868 0.002 0.000 0.866 93 T HN 0.701 nan 8.240 nan 0.000 0.434 94 V N 0.513 120.435 119.914 0.013 0.000 2.548 94 V HA 0.012 4.132 4.120 0.000 0.000 0.249 94 V C 2.177 178.281 176.094 0.017 0.000 1.055 94 V CA 1.290 63.598 62.300 0.013 0.000 1.065 94 V CB -0.970 30.861 31.823 0.012 0.000 0.681 94 V HN 0.441 nan 8.190 nan 0.000 0.462 95 L N 0.682 121.918 121.223 0.021 0.000 2.027 95 L HA -0.027 4.313 4.340 0.000 0.000 0.206 95 L C 3.087 179.971 176.870 0.023 0.000 1.074 95 L CA 1.810 56.664 54.840 0.023 0.000 0.745 95 L CB -0.943 41.133 42.059 0.029 0.000 0.898 95 L HN 0.436 nan 8.230 nan 0.000 0.433 96 A N -0.533 122.303 122.820 0.027 0.000 1.883 96 A HA -0.325 3.995 4.320 0.000 0.000 0.217 96 A C 2.253 179.849 177.584 0.021 0.000 1.186 96 A CA 2.119 54.172 52.037 0.027 0.000 0.624 96 A CB -0.716 18.302 19.000 0.030 0.000 0.822 96 A HN 0.527 nan 8.150 nan 0.000 0.444 97 Q N -0.652 119.158 119.800 0.017 0.000 2.096 97 Q HA -0.164 4.177 4.340 0.000 0.000 0.204 97 Q C 2.175 178.183 176.000 0.013 0.000 0.982 97 Q CA 1.796 57.607 55.803 0.014 0.000 0.850 97 Q CB -0.344 28.401 28.738 0.012 0.000 0.901 97 Q HN 0.619 nan 8.270 nan 0.000 0.422 98 A N 0.542 123.370 122.820 0.014 0.000 1.898 98 A HA -0.118 4.202 4.320 0.000 0.000 0.216 98 A C 1.959 179.550 177.584 0.012 0.000 1.181 98 A CA 1.202 53.246 52.037 0.012 0.000 0.620 98 A CB -0.521 18.486 19.000 0.013 0.000 0.819 98 A HN 0.473 nan 8.150 nan 0.000 0.442 99 I N -0.510 120.069 120.570 0.014 0.000 2.202 99 I HA -0.214 3.956 4.170 0.000 0.000 0.242 99 I C 2.277 178.402 176.117 0.013 0.000 1.091 99 I CA 1.166 62.475 61.300 0.014 0.000 1.368 99 I CB -0.367 37.642 38.000 0.016 0.000 1.058 99 I HN 0.266 nan 8.210 nan 0.000 0.410 100 I N 0.529 121.108 120.570 0.015 0.000 2.179 100 I HA -0.271 3.899 4.170 0.000 0.000 0.242 100 I C 2.601 178.725 176.117 0.012 0.000 1.088 100 I CA 1.612 62.921 61.300 0.014 0.000 1.357 100 I CB -0.630 37.380 38.000 0.016 0.000 1.051 100 I HN 0.220 nan 8.210 nan 0.000 0.409 101 T N 0.209 114.770 114.554 0.011 0.000 2.665 101 T HA -0.186 4.164 4.350 0.000 0.000 0.268 101 T C 1.823 176.527 174.700 0.008 0.000 1.035 101 T CA 1.405 63.511 62.100 0.009 0.000 1.151 101 T CB -0.200 68.673 68.868 0.008 0.000 0.862 101 T HN 0.290 nan 8.240 nan 0.000 0.438 102 E N 0.596 120.801 120.200 0.008 0.000 2.072 102 E HA 0.033 4.383 4.350 0.000 0.000 0.190 102 E C 2.605 179.210 176.600 0.007 0.000 0.982 102 E CA 0.968 57.372 56.400 0.007 0.000 0.803 102 E CB -0.914 28.791 29.700 0.007 0.000 0.755 102 E HN 0.556 nan 8.360 nan 0.000 0.453 103 G N 1.555 110.361 108.800 0.009 0.000 2.446 103 G HA2 -0.230 3.730 3.960 0.000 0.000 0.217 103 G HA3 -0.230 3.730 3.960 0.000 0.000 0.217 103 G C 1.725 176.631 174.900 0.009 0.000 1.168 103 G CA 0.692 45.798 45.100 0.009 0.000 0.771 103 G HN 0.185 nan 8.290 nan 0.000 0.551 104 L N -0.134 121.094 121.223 0.009 0.000 2.093 104 L HA -0.014 4.326 4.340 0.000 0.000 0.208 104 L C 2.939 179.813 176.870 0.007 0.000 1.085 104 L CA 0.924 55.769 54.840 0.008 0.000 0.755 104 L CB -0.372 41.692 42.059 0.008 0.000 0.904 104 L HN 0.147 nan 8.230 nan 0.000 0.435 105 K N 0.444 120.848 120.400 0.006 0.000 2.074 105 K HA -0.209 4.111 4.320 0.000 0.000 0.209 105 K C 2.200 178.803 176.600 0.005 0.000 1.048 105 K CA 1.669 57.959 56.287 0.005 0.000 0.926 105 K CB -0.224 32.279 32.500 0.004 0.000 0.713 105 K HN 0.314 nan 8.250 nan 0.000 0.444 106 A N 0.835 123.658 122.820 0.005 0.000 1.930 106 A HA -0.088 4.232 4.320 0.000 0.000 0.217 106 A C 2.362 179.949 177.584 0.005 0.000 1.175 106 A CA 1.162 53.202 52.037 0.005 0.000 0.627 106 A CB -0.444 18.559 19.000 0.005 0.000 0.815 106 A HN 0.072 nan 8.150 nan 0.000 0.443 107 V N -0.077 119.841 119.914 0.007 0.000 2.295 107 V HA -0.236 3.884 4.120 0.000 0.000 0.246 107 V C 3.032 179.130 176.094 0.007 0.000 1.049 107 V CA 1.886 64.191 62.300 0.008 0.000 1.024 107 V CB -1.173 30.656 31.823 0.010 0.000 0.648 107 V HN 0.590 nan 8.190 nan 0.000 0.447 108 A N -0.146 122.678 122.820 0.006 0.000 2.070 108 A HA -0.057 4.264 4.320 0.000 0.000 0.220 108 A C 2.272 179.857 177.584 0.003 0.000 1.159 108 A CA 1.808 53.847 52.037 0.004 0.000 0.656 108 A CB -0.547 18.455 19.000 0.003 0.000 0.800 108 A HN 0.588 nan 8.150 nan 0.000 0.453 109 A N -2.027 120.795 122.820 0.003 0.000 2.119 109 A HA 0.395 4.715 4.320 0.000 0.000 0.216 109 A C 1.783 179.368 177.584 0.002 0.000 1.152 109 A CA 1.375 53.413 52.037 0.002 0.000 0.708 109 A CB -0.607 18.394 19.000 0.002 0.000 0.805 109 A HN 1.815 nan 8.150 nan 0.000 0.460 110 G N -2.036 106.766 108.800 0.003 0.000 2.154 110 G HA2 -0.173 3.787 3.960 0.000 0.000 0.186 110 G HA3 -0.173 3.787 3.960 0.000 0.000 0.186 110 G C 0.097 174.999 174.900 0.004 0.000 1.000 110 G CA 0.038 45.140 45.100 0.003 0.000 0.664 110 G HN 0.326 nan 8.290 nan 0.000 0.513 111 M N 0.986 120.589 119.600 0.004 0.000 2.250 111 M HA 0.253 4.733 4.480 0.000 0.000 0.344 111 M C 0.674 176.977 176.300 0.006 0.000 1.150 111 M CA -0.508 54.795 55.300 0.004 0.000 1.147 111 M CB 0.572 33.175 32.600 0.004 0.000 1.498 111 M HN 0.166 nan 8.290 nan 0.000 0.461 112 N N 3.259 121.963 118.700 0.006 0.000 2.452 112 N HA 0.062 4.802 4.740 0.000 0.000 0.266 112 N C -2.046 173.469 175.510 0.008 0.000 1.209 112 N CA -1.075 51.979 53.050 0.007 0.000 0.929 112 N CB 1.099 39.589 38.487 0.006 0.000 1.063 112 N HN 0.313 nan 8.380 nan 0.000 0.472 113 P HA -0.099 nan 4.420 nan 0.000 0.218 113 P C 1.586 178.892 177.300 0.010 0.000 1.148 113 P CA 1.142 64.249 63.100 0.011 0.000 0.822 113 P CB 0.243 31.951 31.700 0.014 0.000 0.784 114 M N -0.856 118.750 119.600 0.010 0.000 2.175 114 M HA -0.100 4.380 4.480 0.000 0.000 0.264 114 M C 1.403 177.707 176.300 0.007 0.000 1.063 114 M CA 1.572 56.877 55.300 0.009 0.000 1.119 114 M CB -1.577 31.028 32.600 0.009 0.000 1.377 114 M HN -0.041 nan 8.290 nan 0.000 0.415 115 D N 0.443 120.847 120.400 0.006 0.000 2.149 115 D HA -0.020 4.620 4.640 0.000 0.000 0.201 115 D C 2.297 178.600 176.300 0.005 0.000 0.972 115 D CA 0.835 54.837 54.000 0.005 0.000 0.835 115 D CB -0.083 40.720 40.800 0.004 0.000 0.966 115 D HN 0.300 nan 8.370 nan 0.000 0.476 116 L N 0.672 121.898 121.223 0.006 0.000 2.046 116 L HA -0.167 4.173 4.340 0.000 0.000 0.208 116 L C 2.509 179.382 176.870 0.006 0.000 1.077 116 L CA 1.157 56.000 54.840 0.006 0.000 0.747 116 L CB -0.282 41.782 42.059 0.007 0.000 0.896 116 L HN -0.039 nan 8.230 nan 0.000 0.432 117 K N 0.157 120.561 120.400 0.007 0.000 2.057 117 K HA -0.227 4.093 4.320 0.000 0.000 0.207 117 K C 2.350 178.952 176.600 0.003 0.000 1.049 117 K CA 1.411 57.701 56.287 0.006 0.000 0.931 117 K CB -0.010 32.494 32.500 0.007 0.000 0.714 117 K HN 0.081 nan 8.250 nan 0.000 0.440 118 R N -0.404 120.098 120.500 0.003 0.000 2.096 118 R HA -0.094 4.246 4.340 0.000 0.000 0.235 118 R C 2.276 178.576 176.300 0.001 0.000 1.127 118 R CA 1.563 57.663 56.100 0.001 0.000 0.968 118 R CB -0.413 29.888 30.300 0.002 0.000 0.861 118 R HN 0.386 nan 8.270 nan 0.000 0.440 119 G N 0.685 109.486 108.800 0.002 0.000 2.421 119 G HA2 -0.241 3.720 3.960 0.000 0.000 0.216 119 G HA3 -0.241 3.720 3.960 0.000 0.000 0.216 119 G C 1.396 176.297 174.900 0.001 0.000 1.171 119 G CA 0.847 45.948 45.100 0.002 0.000 0.775 119 G HN 0.233 nan 8.290 nan 0.000 0.543 120 I N 1.127 121.699 120.570 0.002 0.000 2.163 120 I HA -0.163 4.007 4.170 0.000 0.000 0.243 120 I C 2.359 178.475 176.117 -0.001 0.000 1.085 120 I CA 1.370 62.671 61.300 0.002 0.000 1.347 120 I CB -0.197 37.805 38.000 0.004 0.000 1.044 120 I HN 0.043 nan 8.210 nan 0.000 0.408 121 D N 0.739 121.137 120.400 -0.003 0.000 2.123 121 D HA -0.225 4.415 4.640 0.000 0.000 0.196 121 D C 2.081 178.376 176.300 -0.008 0.000 0.992 121 D CA 1.260 55.255 54.000 -0.008 0.000 0.833 121 D CB -0.260 40.535 40.800 -0.008 0.000 0.954 121 D HN 0.288 nan 8.370 nan 0.000 0.455 122 K N 0.558 120.955 120.400 -0.005 0.000 2.057 122 K HA -0.092 4.228 4.320 0.000 0.000 0.207 122 K C 2.027 178.625 176.600 -0.003 0.000 1.049 122 K CA 1.273 57.557 56.287 -0.004 0.000 0.931 122 K CB -0.055 32.444 32.500 -0.002 0.000 0.714 122 K HN 0.030 nan 8.250 nan 0.000 0.440 123 A N 0.499 123.318 122.820 -0.002 0.000 1.933 123 A HA -0.110 4.210 4.320 0.000 0.000 0.218 123 A C 2.202 179.785 177.584 -0.002 0.000 1.175 123 A CA 1.600 53.637 52.037 -0.000 0.000 0.628 123 A CB -0.524 18.477 19.000 0.002 0.000 0.814 123 A HN 0.185 nan 8.150 nan 0.000 0.444 124 V N -0.318 119.593 119.914 -0.005 0.000 2.323 124 V HA -0.200 3.920 4.120 0.000 0.000 0.244 124 V C 2.750 178.836 176.094 -0.012 0.000 1.041 124 V CA 2.386 64.681 62.300 -0.009 0.000 1.025 124 V CB -1.266 30.549 31.823 -0.014 0.000 0.656 124 V HN 0.619 nan 8.190 nan 0.000 0.451 125 T N 0.838 115.384 114.554 -0.013 0.000 2.665 125 T HA -0.253 4.097 4.350 0.000 0.000 0.268 125 T C 2.041 176.736 174.700 -0.008 0.000 1.035 125 T CA 1.843 63.935 62.100 -0.014 0.000 1.151 125 T CB -0.530 68.331 68.868 -0.012 0.000 0.862 125 T HN 0.566 nan 8.240 nan 0.000 0.438 126 A N 1.351 124.169 122.820 -0.005 0.000 1.933 126 A HA 0.204 4.524 4.320 0.000 0.000 0.218 126 A C 2.658 180.242 177.584 0.001 0.000 1.175 126 A CA 1.781 53.817 52.037 -0.001 0.000 0.628 126 A CB -1.065 17.934 19.000 0.000 0.000 0.814 126 A HN 0.530 nan 8.150 nan 0.000 0.444 127 A N -0.566 122.254 122.820 0.000 0.000 1.898 127 A HA 0.017 4.337 4.320 0.000 0.000 0.216 127 A C 2.200 179.786 177.584 0.003 0.000 1.181 127 A CA 1.679 53.718 52.037 0.004 0.000 0.620 127 A CB -0.934 18.069 19.000 0.004 0.000 0.819 127 A HN 0.380 nan 8.150 nan 0.000 0.442 128 V N -0.020 119.893 119.914 -0.003 0.000 2.392 128 V HA -0.239 3.881 4.120 0.000 0.000 0.249 128 V C 2.587 178.681 176.094 -0.001 0.000 1.059 128 V CA 2.419 64.716 62.300 -0.004 0.000 1.051 128 V CB -0.692 31.122 31.823 -0.014 0.000 0.658 128 V HN 0.607 nan 8.190 nan 0.000 0.455 129 E N 0.116 120.316 120.200 -0.001 0.000 2.106 129 E HA -0.201 4.149 4.350 0.000 0.000 0.192 129 E C 2.140 178.743 176.600 0.005 0.000 0.984 129 E CA 1.136 57.537 56.400 0.002 0.000 0.806 129 E CB -0.180 29.521 29.700 0.001 0.000 0.750 129 E HN 0.557 nan 8.360 nan 0.000 0.458 130 E N -0.717 119.487 120.200 0.006 0.000 2.208 130 E HA -0.062 4.288 4.350 0.000 0.000 0.193 130 E C 1.567 178.174 176.600 0.013 0.000 0.988 130 E CA 0.264 56.669 56.400 0.010 0.000 0.828 130 E CB -0.121 29.586 29.700 0.010 0.000 0.763 130 E HN 0.149 nan 8.360 nan 0.000 0.478 131 L N 0.678 121.908 121.223 0.012 0.000 2.156 131 L HA -0.055 4.285 4.340 0.000 0.000 0.208 131 L C 1.646 178.525 176.870 0.014 0.000 1.095 131 L CA 1.670 56.519 54.840 0.014 0.000 0.770 131 L CB -0.225 41.842 42.059 0.013 0.000 0.914 131 L HN 0.014 nan 8.230 nan 0.000 0.439 132 K N -1.108 119.298 120.400 0.011 0.000 2.155 132 K HA -0.016 4.304 4.320 0.000 0.000 0.203 132 K C 2.009 178.616 176.600 0.012 0.000 1.052 132 K CA 1.074 57.367 56.287 0.011 0.000 0.948 132 K CB -0.188 32.317 32.500 0.008 0.000 0.728 132 K HN 0.319 nan 8.250 nan 0.000 0.448 133 A N 1.406 124.233 122.820 0.012 0.000 1.968 133 A HA -0.064 4.257 4.320 0.000 0.000 0.217 133 A C 1.998 179.591 177.584 0.015 0.000 1.169 133 A CA 0.848 52.892 52.037 0.012 0.000 0.638 133 A CB -0.349 18.657 19.000 0.011 0.000 0.812 133 A HN 0.196 nan 8.150 nan 0.000 0.446 134 L N -0.524 120.709 121.223 0.018 0.000 2.240 134 L HA 0.025 4.365 4.340 0.000 0.000 0.211 134 L C 1.217 178.100 176.870 0.022 0.000 1.106 134 L CA 0.425 55.279 54.840 0.022 0.000 0.793 134 L CB -0.227 41.848 42.059 0.026 0.000 0.927 134 L HN 0.384 nan 8.230 nan 0.000 0.446 135 S N -0.283 115.428 115.700 0.019 0.000 2.549 135 S HA 0.103 4.573 4.470 0.000 0.000 0.286 135 S C -0.204 174.406 174.600 0.017 0.000 1.314 135 S CA -0.390 57.821 58.200 0.018 0.000 1.062 135 S CB 0.670 63.880 63.200 0.016 0.000 0.865 135 S HN 0.043 nan 8.310 nan 0.000 0.498 136 V N 8.478 128.402 119.914 0.017 0.000 2.370 136 V HA 0.394 4.514 4.120 0.000 0.000 0.283 136 V C -2.080 174.023 176.094 0.014 0.000 1.023 136 V CA -1.835 60.475 62.300 0.016 0.000 0.857 136 V CB 1.302 33.135 31.823 0.016 0.000 0.985 136 V HN 0.751 nan 8.190 nan 0.000 0.443 137 P HA 0.223 nan 4.420 nan 0.000 0.272 137 P C -0.650 176.656 177.300 0.011 0.000 1.230 137 P CA -0.416 62.691 63.100 0.011 0.000 0.788 137 P CB 0.491 32.198 31.700 0.010 0.000 0.949 138 C N 2.099 121.405 119.300 0.010 0.000 2.566 138 C HA 0.233 4.693 4.460 0.000 0.000 0.300 138 C C 1.752 176.747 174.990 0.007 0.000 1.147 138 C CA 0.161 59.184 59.018 0.009 0.000 1.644 138 C CB -1.303 26.443 27.740 0.009 0.000 1.691 138 C HN 0.574 nan 8.230 nan 0.000 0.440 139 S N 1.800 117.504 115.700 0.007 0.000 2.311 139 S HA -0.052 4.419 4.470 0.000 0.000 0.209 139 S C 0.698 175.301 174.600 0.004 0.000 1.029 139 S CA 0.882 59.086 58.200 0.006 0.000 0.968 139 S CB -0.244 62.959 63.200 0.006 0.000 0.946 139 S HN 0.902 nan 8.310 nan 0.000 0.450 140 D N 1.171 121.573 120.400 0.004 0.000 2.384 140 D HA 0.220 4.860 4.640 0.000 0.000 0.244 140 D C 0.961 177.262 176.300 0.002 0.000 1.251 140 D CA 0.159 54.161 54.000 0.003 0.000 0.961 140 D CB 0.271 41.072 40.800 0.002 0.000 1.116 140 D HN 0.246 nan 8.370 nan 0.000 0.484 141 S N -1.380 114.320 115.700 0.001 0.000 2.562 141 S HA -0.115 4.355 4.470 0.000 0.000 0.221 141 S C 1.492 176.092 174.600 -0.000 0.000 0.975 141 S CA 0.266 58.466 58.200 -0.000 0.000 0.918 141 S CB -0.362 62.837 63.200 -0.001 0.000 0.772 141 S HN 0.518 nan 8.310 nan 0.000 0.531 142 K N 1.476 121.876 120.400 0.000 0.000 2.025 142 K HA 0.056 4.376 4.320 0.000 0.000 0.207 142 K C 2.304 178.905 176.600 0.001 0.000 1.049 142 K CA 1.140 57.427 56.287 0.000 0.000 0.933 142 K CB -0.596 31.904 32.500 0.001 0.000 0.714 142 K HN 0.443 nan 8.250 nan 0.000 0.438 143 A N 1.443 124.264 122.820 0.002 0.000 1.898 143 A HA -0.115 4.205 4.320 0.000 0.000 0.216 143 A C 2.082 179.668 177.584 0.003 0.000 1.181 143 A CA 1.255 53.294 52.037 0.003 0.000 0.620 143 A CB -0.536 18.467 19.000 0.005 0.000 0.819 143 A HN 0.330 nan 8.150 nan 0.000 0.442 144 I N -0.130 120.442 120.570 0.002 0.000 2.208 144 I HA -0.336 3.834 4.170 0.000 0.000 0.245 144 I C 2.978 179.095 176.117 0.001 0.000 1.097 144 I CA 1.181 62.482 61.300 0.002 0.000 1.363 144 I CB -0.324 37.676 38.000 0.000 0.000 1.051 144 I HN 0.372 nan 8.210 nan 0.000 0.413 145 A N 0.883 123.703 122.820 -0.001 0.000 1.877 145 A HA -0.260 4.060 4.320 0.000 0.000 0.216 145 A C 2.301 179.884 177.584 -0.001 0.000 1.186 145 A CA 1.906 53.942 52.037 -0.002 0.000 0.620 145 A CB -0.770 18.229 19.000 -0.002 0.000 0.822 145 A HN 0.655 nan 8.150 nan 0.000 0.443 146 Q N -0.654 119.145 119.800 -0.000 0.000 2.297 146 Q HA -0.008 4.332 4.340 0.000 0.000 0.204 146 Q C 1.672 177.672 176.000 0.000 0.000 0.962 146 Q CA 1.510 57.312 55.803 -0.001 0.000 0.879 146 Q CB -0.441 28.297 28.738 -0.001 0.000 0.947 146 Q HN 0.354 nan 8.270 nan 0.000 0.462 147 V N 1.627 121.542 119.914 0.002 0.000 2.453 147 V HA -0.104 4.016 4.120 0.000 0.000 0.247 147 V C 2.418 178.515 176.094 0.005 0.000 1.048 147 V CA 1.829 64.131 62.300 0.004 0.000 1.049 147 V CB -0.846 30.982 31.823 0.007 0.000 0.672 147 V HN 0.599 nan 8.190 nan 0.000 0.457 148 G N -0.155 108.647 108.800 0.003 0.000 2.418 148 G HA2 -0.233 3.727 3.960 0.000 0.000 0.217 148 G HA3 -0.233 3.727 3.960 0.000 0.000 0.217 148 G C 1.689 176.589 174.900 0.001 0.000 1.158 148 G CA 1.546 46.647 45.100 0.002 0.000 0.771 148 G HN 0.459 nan 8.290 nan 0.000 0.545 149 T N 1.432 115.986 114.554 -0.001 0.000 2.684 149 T HA -0.108 4.242 4.350 0.000 0.000 0.267 149 T C 2.374 177.072 174.700 -0.004 0.000 1.036 149 T CA 1.182 63.281 62.100 -0.003 0.000 1.148 149 T CB -0.190 68.676 68.868 -0.004 0.000 0.863 149 T HN 0.239 nan 8.240 nan 0.000 0.436 150 I N 1.252 121.820 120.570 -0.003 0.000 2.226 150 I HA -0.159 4.012 4.170 0.000 0.000 0.245 150 I C 2.474 178.589 176.117 -0.003 0.000 1.100 150 I CA 1.053 62.350 61.300 -0.005 0.000 1.374 150 I CB -0.268 37.729 38.000 -0.005 0.000 1.057 150 I HN 0.172 nan 8.210 nan 0.000 0.413 151 S N 0.461 116.162 115.700 0.002 0.000 2.507 151 S HA 0.053 4.523 4.470 0.000 0.000 0.235 151 S C 1.427 176.030 174.600 0.006 0.000 0.988 151 S CA 0.877 59.081 58.200 0.007 0.000 0.944 151 S CB -0.085 63.124 63.200 0.015 0.000 0.762 151 S HN 0.494 nan 8.310 nan 0.000 0.526 152 A N 1.276 124.097 122.820 0.002 0.000 2.713 152 A HA 0.476 4.797 4.320 0.000 0.000 0.296 152 A C 0.220 177.802 177.584 -0.003 0.000 1.255 152 A CA -0.746 51.292 52.037 0.001 0.000 0.955 152 A CB -0.664 18.336 19.000 0.000 0.000 1.149 152 A HN 0.432 nan 8.150 nan 0.000 0.538 153 N N 0.249 118.945 118.700 -0.006 0.000 2.727 153 N HA -0.193 4.547 4.740 0.000 0.000 0.251 153 N C 0.331 175.835 175.510 -0.010 0.000 1.040 153 N CA 0.499 53.543 53.050 -0.010 0.000 0.712 153 N CB -1.462 37.019 38.487 -0.010 0.000 0.912 153 N HN 0.463 nan 8.380 nan 0.000 0.545 154 S N -2.217 113.477 115.700 -0.010 0.000 3.476 154 S HA -0.233 4.237 4.470 0.000 0.000 0.309 154 S C -0.088 174.507 174.600 -0.009 0.000 1.222 154 S CA 1.056 59.249 58.200 -0.010 0.000 0.922 154 S CB -0.679 62.513 63.200 -0.013 0.000 1.023 154 S HN 0.725 nan 8.310 nan 0.000 0.591 155 D N 1.454 121.850 120.400 -0.007 0.000 2.393 155 D HA 0.256 4.896 4.640 0.000 0.000 0.232 155 D C 1.080 177.376 176.300 -0.006 0.000 1.192 155 D CA -0.196 53.800 54.000 -0.006 0.000 0.882 155 D CB 0.501 41.298 40.800 -0.006 0.000 1.038 155 D HN 0.454 nan 8.370 nan 0.000 0.499 156 E N 1.328 121.524 120.200 -0.006 0.000 2.268 156 E HA -0.105 4.245 4.350 0.000 0.000 0.195 156 E C 1.365 177.961 176.600 -0.005 0.000 0.995 156 E CA 0.850 57.247 56.400 -0.005 0.000 0.836 156 E CB 0.293 29.990 29.700 -0.005 0.000 0.763 156 E HN 0.503 nan 8.360 nan 0.000 0.491 157 T N 0.831 115.382 114.554 -0.006 0.000 2.708 157 T HA -0.129 4.221 4.350 0.000 0.000 0.266 157 T C 2.155 176.852 174.700 -0.006 0.000 1.037 157 T CA 1.108 63.204 62.100 -0.006 0.000 1.146 157 T CB -0.228 68.637 68.868 -0.006 0.000 0.865 157 T HN 0.003 nan 8.240 nan 0.000 0.435 158 V N 1.598 121.509 119.914 -0.006 0.000 2.407 158 V HA -0.096 4.024 4.120 0.000 0.000 0.248 158 V C 2.885 178.975 176.094 -0.007 0.000 1.055 158 V CA 1.854 64.150 62.300 -0.007 0.000 1.049 158 V CB -1.512 30.308 31.823 -0.005 0.000 0.662 158 V HN 0.600 nan 8.190 nan 0.000 0.455 159 G N 1.304 110.101 108.800 -0.005 0.000 2.459 159 G HA2 -0.329 3.631 3.960 0.000 0.000 0.217 159 G HA3 -0.329 3.631 3.960 0.000 0.000 0.217 159 G C 1.512 176.408 174.900 -0.005 0.000 1.183 159 G CA 1.292 46.389 45.100 -0.005 0.000 0.776 159 G HN 0.674 nan 8.290 nan 0.000 0.552 160 K N 0.055 120.451 120.400 -0.006 0.000 2.365 160 K HA 0.324 4.644 4.320 0.000 0.000 0.197 160 K C 2.240 178.836 176.600 -0.007 0.000 1.042 160 K CA 0.237 56.521 56.287 -0.006 0.000 0.987 160 K CB -0.198 32.299 32.500 -0.005 0.000 0.779 160 K HN 0.331 nan 8.250 nan 0.000 0.484 161 L N 1.122 122.340 121.223 -0.008 0.000 1.994 161 L HA -0.128 4.213 4.340 0.000 0.000 0.208 161 L C 2.410 179.273 176.870 -0.012 0.000 1.071 161 L CA 1.357 56.190 54.840 -0.010 0.000 0.745 161 L CB -0.243 41.809 42.059 -0.011 0.000 0.892 161 L HN 0.209 nan 8.230 nan 0.000 0.431 162 I N -0.576 119.986 120.570 -0.013 0.000 2.226 162 I HA -0.290 3.880 4.170 0.000 0.000 0.245 162 I C 2.751 178.861 176.117 -0.012 0.000 1.100 162 I CA 1.125 62.416 61.300 -0.015 0.000 1.374 162 I CB -0.481 37.510 38.000 -0.015 0.000 1.057 162 I HN 0.222 nan 8.210 nan 0.000 0.413 163 A N 0.489 123.304 122.820 -0.009 0.000 1.908 163 A HA -0.256 4.064 4.320 0.000 0.000 0.218 163 A C 2.217 179.796 177.584 -0.007 0.000 1.181 163 A CA 1.946 53.979 52.037 -0.007 0.000 0.627 163 A CB -0.620 18.377 19.000 -0.005 0.000 0.818 163 A HN 0.456 nan 8.150 nan 0.000 0.445 164 E N -0.519 119.676 120.200 -0.008 0.000 2.106 164 E HA -0.022 4.328 4.350 0.000 0.000 0.192 164 E C 2.310 178.904 176.600 -0.010 0.000 0.984 164 E CA 0.775 57.171 56.400 -0.008 0.000 0.806 164 E CB -0.249 29.446 29.700 -0.008 0.000 0.750 164 E HN 0.626 nan 8.360 nan 0.000 0.458 165 A N 1.121 123.934 122.820 -0.012 0.000 1.877 165 A HA -0.184 4.136 4.320 0.000 0.000 0.216 165 A C 2.158 179.734 177.584 -0.013 0.000 1.186 165 A CA 1.299 53.328 52.037 -0.014 0.000 0.620 165 A CB -0.401 18.587 19.000 -0.019 0.000 0.822 165 A HN 0.142 nan 8.150 nan 0.000 0.443 166 M N -0.991 118.601 119.600 -0.012 0.000 2.296 166 M HA -0.149 4.332 4.480 0.000 0.000 0.265 166 M C 1.753 178.049 176.300 -0.007 0.000 1.064 166 M CA 1.833 57.127 55.300 -0.010 0.000 1.109 166 M CB -0.597 31.997 32.600 -0.009 0.000 1.396 166 M HN 0.495 nan 8.290 nan 0.000 0.430 167 D N 0.587 120.983 120.400 -0.007 0.000 2.178 167 D HA -0.125 4.515 4.640 0.000 0.000 0.202 167 D C 2.058 178.355 176.300 -0.006 0.000 0.974 167 D CA 1.082 55.078 54.000 -0.005 0.000 0.841 167 D CB 0.270 41.067 40.800 -0.005 0.000 0.953 167 D HN 0.029 nan 8.370 nan 0.000 0.478 168 K N -0.284 120.111 120.400 -0.007 0.000 2.076 168 K HA -0.010 4.310 4.320 0.000 0.000 0.204 168 K C 1.752 178.347 176.600 -0.007 0.000 1.051 168 K CA 1.101 57.384 56.287 -0.007 0.000 0.949 168 K CB 0.167 32.662 32.500 -0.008 0.000 0.726 168 K HN 0.276 nan 8.250 nan 0.000 0.443 169 V N -3.318 116.592 119.914 -0.008 0.000 3.477 169 V HA 0.407 4.527 4.120 0.000 0.000 0.297 169 V C 0.501 176.591 176.094 -0.006 0.000 1.433 169 V CA 0.099 62.395 62.300 -0.007 0.000 1.052 169 V CB -0.104 31.713 31.823 -0.009 0.000 0.895 169 V HN 0.321 nan 8.190 nan 0.000 0.438 170 G N 1.183 109.980 108.800 -0.005 0.000 2.746 170 G HA2 -0.183 3.777 3.960 0.000 0.000 0.685 170 G HA3 -0.183 3.777 3.960 0.000 0.000 0.685 170 G C 0.021 174.918 174.900 -0.004 0.000 1.350 170 G CA 0.037 45.135 45.100 -0.004 0.000 0.837 170 G HN 0.290 nan 8.290 nan 0.000 0.564 171 K N -0.067 120.332 120.400 -0.002 0.000 2.365 171 K HA 0.012 4.332 4.320 0.000 0.000 0.199 171 K C 1.679 178.279 176.600 -0.000 0.000 1.045 171 K CA 1.547 57.833 56.287 -0.001 0.000 0.962 171 K CB 0.135 32.636 32.500 0.002 0.000 0.759 171 K HN 0.597 nan 8.250 nan 0.000 0.469 172 E N 0.098 120.298 120.200 -0.000 0.000 2.548 172 E HA 0.077 4.427 4.350 0.000 0.000 0.206 172 E C 0.497 177.096 176.600 -0.001 0.000 1.005 172 E CA -0.492 55.909 56.400 0.001 0.000 0.951 172 E CB 0.991 30.693 29.700 0.004 0.000 1.035 172 E HN 0.212 nan 8.360 nan 0.000 0.470 173 G N 0.655 109.452 108.800 -0.004 0.000 2.684 173 G HA2 0.195 4.156 3.960 0.000 0.000 0.255 173 G HA3 0.195 4.156 3.960 0.000 0.000 0.255 173 G C -0.018 174.876 174.900 -0.011 0.000 1.219 173 G CA -0.457 44.639 45.100 -0.007 0.000 0.901 173 G HN 0.005 nan 8.290 nan 0.000 0.548 174 V N 0.984 120.891 119.914 -0.013 0.000 2.364 174 V HA 0.308 4.428 4.120 0.000 0.000 0.272 174 V C 0.131 176.208 176.094 -0.028 0.000 1.036 174 V CA -0.139 62.148 62.300 -0.021 0.000 0.880 174 V CB 0.729 32.542 31.823 -0.017 0.000 0.991 174 V HN 0.439 nan 8.190 nan 0.000 0.460 175 I N 4.317 124.863 120.570 -0.040 0.000 2.355 175 I HA 0.407 4.577 4.170 0.000 0.000 0.288 175 I C 0.220 176.301 176.117 -0.059 0.000 0.999 175 I CA 0.041 61.315 61.300 -0.045 0.000 1.163 175 I CB 1.955 39.927 38.000 -0.046 0.000 1.316 175 I HN 0.529 nan 8.210 nan 0.000 0.454 176 T N 5.516 120.041 114.554 -0.049 0.000 2.912 176 T HA 0.650 5.000 4.350 0.000 0.000 0.288 176 T C -1.224 173.448 174.700 -0.045 0.000 1.030 176 T CA -0.496 61.573 62.100 -0.052 0.000 1.020 176 T CB 1.923 70.765 68.868 -0.043 0.000 1.056 176 T HN 0.331 nan 8.240 nan 0.000 0.480 177 V N 4.383 124.270 119.914 -0.045 0.000 2.638 177 V HA 0.833 4.954 4.120 0.000 0.000 0.306 177 V C -1.084 174.995 176.094 -0.026 0.000 1.052 177 V CA -0.491 61.788 62.300 -0.035 0.000 0.885 177 V CB 1.606 33.406 31.823 -0.039 0.000 0.999 177 V HN 1.065 nan 8.190 nan 0.000 0.424 178 E N 3.246 123.434 120.200 -0.020 0.000 2.456 178 E HA 0.507 4.857 4.350 0.000 0.000 0.276 178 E C -1.511 175.082 176.600 -0.012 0.000 0.981 178 E CA -1.079 55.312 56.400 -0.016 0.000 0.814 178 E CB 1.412 31.102 29.700 -0.017 0.000 1.382 178 E HN 0.502 nan 8.360 nan 0.000 0.459 179 D N 0.631 121.025 120.400 -0.010 0.000 2.525 179 D HA 0.202 4.842 4.640 0.000 0.000 0.235 179 D C 0.267 176.562 176.300 -0.009 0.000 1.137 179 D CA 0.913 54.908 54.000 -0.008 0.000 0.868 179 D CB 0.729 41.525 40.800 -0.006 0.000 1.180 179 D HN 0.567 nan 8.370 nan 0.000 0.465 180 G N 0.034 108.829 108.800 -0.008 0.000 2.588 180 G HA2 0.386 4.346 3.960 0.000 0.000 0.281 180 G HA3 0.386 4.346 3.960 0.000 0.000 0.281 180 G C 0.736 175.631 174.900 -0.007 0.000 1.236 180 G CA -0.169 44.926 45.100 -0.008 0.000 0.969 180 G HN 0.496 nan 8.290 nan 0.000 0.504 181 T N -3.703 110.847 114.554 -0.007 0.000 3.040 181 T HA 0.550 4.900 4.350 0.000 0.000 0.266 181 T C 0.849 175.546 174.700 -0.006 0.000 1.005 181 T CA 0.673 62.770 62.100 -0.007 0.000 0.906 181 T CB 0.509 69.373 68.868 -0.007 0.000 1.082 181 T HN 1.269 nan 8.240 nan 0.000 0.531 182 G N 0.525 109.322 108.800 -0.005 0.000 2.588 182 G HA2 0.434 4.394 3.960 0.000 0.000 0.281 182 G HA3 0.434 4.394 3.960 0.000 0.000 0.281 182 G C -0.231 174.666 174.900 -0.005 0.000 1.223 182 G CA -0.092 45.006 45.100 -0.005 0.000 0.871 182 G HN 0.060 nan 8.290 nan 0.000 0.492 183 L N -0.002 121.219 121.223 -0.004 0.000 2.179 183 L HA 0.304 4.644 4.340 0.000 0.000 0.208 183 L C 0.779 177.646 176.870 -0.005 0.000 1.096 183 L CA 1.410 56.247 54.840 -0.004 0.000 0.779 183 L CB -0.483 41.574 42.059 -0.004 0.000 0.922 183 L HN 0.538 nan 8.230 nan 0.000 0.443 184 Q N 0.874 120.670 119.800 -0.005 0.000 2.230 184 Q HA 0.169 4.509 4.340 0.000 0.000 0.253 184 Q C -0.756 175.240 176.000 -0.006 0.000 0.919 184 Q CA -0.817 54.983 55.803 -0.006 0.000 0.908 184 Q CB 1.493 30.228 28.738 -0.005 0.000 1.245 184 Q HN 0.202 nan 8.270 nan 0.000 0.437 185 D N 2.113 122.508 120.400 -0.007 0.000 2.382 185 D HA 0.088 4.728 4.640 0.000 0.000 0.240 185 D C -0.428 175.867 176.300 -0.008 0.000 1.146 185 D CA 0.505 54.500 54.000 -0.008 0.000 0.897 185 D CB 0.845 41.640 40.800 -0.008 0.000 1.197 185 D HN 0.397 nan 8.370 nan 0.000 0.432 186 E N -0.168 120.027 120.200 -0.009 0.000 2.317 186 E HA 0.545 4.895 4.350 0.000 0.000 0.270 186 E C -1.146 175.447 176.600 -0.011 0.000 0.885 186 E CA -0.920 55.474 56.400 -0.010 0.000 0.760 186 E CB 2.526 32.220 29.700 -0.010 0.000 1.227 186 E HN 0.075 nan 8.360 nan 0.000 0.434 187 L N 2.383 123.599 121.223 -0.011 0.000 2.441 187 L HA 0.482 4.822 4.340 0.000 0.000 0.270 187 L C -1.898 174.965 176.870 -0.011 0.000 0.973 187 L CA -0.158 54.675 54.840 -0.012 0.000 0.842 187 L CB 1.473 43.525 42.059 -0.011 0.000 1.239 187 L HN 0.433 nan 8.230 nan 0.000 0.406 188 D N 4.170 124.563 120.400 -0.012 0.000 2.879 188 D HA 0.427 5.067 4.640 0.000 0.000 0.236 188 D C -1.029 175.264 176.300 -0.011 0.000 1.171 188 D CA -0.269 53.725 54.000 -0.011 0.000 0.868 188 D CB 3.065 43.859 40.800 -0.011 0.000 1.598 188 D HN 0.251 nan 8.370 nan 0.000 0.497 189 V N 1.929 121.837 119.914 -0.010 0.000 2.383 189 V HA 0.378 4.498 4.120 0.000 0.000 0.275 189 V C 0.491 176.580 176.094 -0.008 0.000 1.036 189 V CA -0.530 61.764 62.300 -0.009 0.000 0.889 189 V CB 1.186 33.005 31.823 -0.008 0.000 0.985 189 V HN 0.413 nan 8.190 nan 0.000 0.459 190 V N 1.732 121.641 119.914 -0.008 0.000 3.001 190 V HA 0.668 4.788 4.120 0.000 0.000 0.314 190 V C -0.212 175.879 176.094 -0.004 0.000 1.099 190 V CA -1.123 61.172 62.300 -0.007 0.000 0.989 190 V CB 2.104 33.921 31.823 -0.010 0.000 1.040 190 V HN 0.682 nan 8.190 nan 0.000 0.434 191 E N 1.843 122.041 120.200 -0.003 0.000 2.406 191 E HA 0.497 4.847 4.350 0.000 0.000 0.258 191 E C 0.299 176.902 176.600 0.005 0.000 1.043 191 E CA 0.919 57.320 56.400 0.001 0.000 0.929 191 E CB 0.648 30.349 29.700 0.002 0.000 0.969 191 E HN 1.180 nan 8.360 nan 0.000 0.462 192 G N 1.580 110.385 108.800 0.010 0.000 2.600 192 G HA2 0.632 4.593 3.960 0.000 0.000 0.293 192 G HA3 0.632 4.593 3.960 0.000 0.000 0.293 192 G C -1.159 173.759 174.900 0.030 0.000 1.408 192 G CA -0.677 44.434 45.100 0.017 0.000 0.782 192 G HN 0.378 nan 8.290 nan 0.000 0.482 193 M N -0.177 119.450 119.600 0.046 0.000 2.603 193 M HA 0.521 5.001 4.480 0.000 0.000 0.275 193 M C -2.008 174.338 176.300 0.076 0.000 1.226 193 M CA -0.659 54.689 55.300 0.080 0.000 0.870 193 M CB 2.835 35.512 32.600 0.129 0.000 1.716 193 M HN 0.721 nan 8.290 nan 0.000 0.482 194 Q N 2.928 122.781 119.800 0.088 0.000 2.289 194 Q HA 0.672 5.012 4.340 0.000 0.000 0.270 194 Q C -2.194 173.868 176.000 0.104 0.000 1.038 194 Q CA -0.632 55.171 55.803 0.001 0.000 0.812 194 Q CB 2.115 30.828 28.738 -0.042 0.000 1.300 194 Q HN 0.580 nan 8.270 nan 0.000 0.427 195 F N -0.185 119.764 119.950 -0.001 0.000 2.640 195 F HA 0.580 5.107 4.527 0.000 0.000 0.324 195 F C -0.642 175.160 175.800 0.003 0.000 1.077 195 F CA -1.224 56.777 58.000 0.002 0.000 0.965 195 F CB 1.069 40.071 39.000 0.003 0.000 1.351 195 F HN 0.299 nan 8.300 nan 0.000 0.487 196 D N 2.029 122.558 120.400 0.215 0.000 2.845 196 D HA 0.231 4.871 4.640 0.000 0.000 0.235 196 D C -0.429 175.943 176.300 0.121 0.000 1.158 196 D CA 0.204 54.262 54.000 0.097 0.000 0.990 196 D CB -0.202 40.653 40.800 0.091 0.000 1.094 196 D HN 0.275 nan 8.370 nan 0.000 0.486 197 R N 0.264 120.814 120.500 0.084 0.000 2.515 197 R HA 0.540 4.880 4.340 0.000 0.000 0.291 197 R C 0.395 176.660 176.300 -0.059 0.000 1.046 197 R CA -0.670 55.484 56.100 0.091 0.000 0.914 197 R CB 2.039 32.521 30.300 0.304 0.000 1.191 197 R HN 0.197 nan 8.270 nan 0.000 0.435 198 G N 1.271 110.005 108.800 -0.110 0.000 2.532 198 G HA2 0.350 4.310 3.960 0.000 0.000 0.291 198 G HA3 0.350 4.310 3.960 0.000 0.000 0.291 198 G C -0.559 174.263 174.900 -0.130 0.000 1.349 198 G CA -0.522 44.437 45.100 -0.234 0.000 1.038 198 G HN 0.473 nan 8.290 nan 0.000 0.518 199 Y N -1.086 119.251 120.300 0.061 0.000 2.610 199 Y HA 0.277 4.827 4.550 0.000 0.000 0.332 199 Y C 1.212 177.214 175.900 0.169 0.000 1.201 199 Y CA -0.899 57.278 58.100 0.128 0.000 1.465 199 Y CB 0.363 38.943 38.460 0.200 0.000 1.283 199 Y HN 0.174 nan 8.280 nan 0.000 0.563 200 L N 2.072 123.545 121.223 0.418 0.000 2.622 200 L HA 0.037 4.377 4.340 0.000 0.000 0.233 200 L C 0.671 177.766 176.870 0.375 0.000 1.156 200 L CA 0.977 56.017 54.840 0.334 0.000 0.866 200 L CB -0.201 42.023 42.059 0.276 0.000 0.980 200 L HN 0.814 nan 8.230 nan 0.000 0.448 201 S N -1.447 114.563 115.700 0.517 0.000 2.560 201 S HA 0.385 4.855 4.470 0.000 0.000 0.283 201 S C -2.651 171.988 174.600 0.065 0.000 1.141 201 S CA -1.171 57.189 58.200 0.265 0.000 0.902 201 S CB 1.619 64.827 63.200 0.014 0.000 1.104 201 S HN -0.238 nan 8.310 nan 0.000 0.454 202 P HA 0.225 nan 4.420 nan 0.000 0.285 202 P C -0.080 177.027 177.300 -0.322 0.000 1.282 202 P CA 0.528 63.329 63.100 -0.498 0.000 0.778 202 P CB -0.047 31.384 31.700 -0.449 0.000 1.222 203 Y N -5.085 115.031 120.300 -0.307 0.000 4.167 203 Y HA -0.258 4.292 4.550 0.000 0.000 0.343 203 Y C 1.768 177.519 175.900 -0.248 0.000 1.160 203 Y CA 1.177 59.112 58.100 -0.275 0.000 1.963 203 Y CB -3.129 35.139 38.460 -0.319 0.000 0.922 203 Y HN 0.103 nan 8.280 nan 0.000 0.443 204 F N 0.300 120.221 119.950 -0.048 0.000 2.456 204 F HA 0.123 4.650 4.527 0.000 0.000 0.298 204 F C 1.400 177.138 175.800 -0.103 0.000 1.104 204 F CA 0.171 58.137 58.000 -0.056 0.000 1.435 204 F CB -0.309 38.666 39.000 -0.041 0.000 1.078 204 F HN -0.092 nan 8.300 nan 0.000 0.546 205 I N 2.479 123.017 120.570 -0.053 0.000 2.872 205 I HA -0.188 3.982 4.170 0.000 0.000 0.287 205 I C 0.739 176.846 176.117 -0.016 0.000 1.197 205 I CA 0.428 61.676 61.300 -0.086 0.000 1.390 205 I CB -0.022 37.862 38.000 -0.193 0.000 1.400 205 I HN 0.199 nan 8.210 nan 0.000 0.544 206 N N 4.715 123.425 118.700 0.016 0.000 2.197 206 N HA 0.040 4.780 4.740 0.000 0.000 0.201 206 N C -0.039 175.480 175.510 0.015 0.000 1.148 206 N CA -0.040 53.024 53.050 0.023 0.000 0.883 206 N CB 0.479 38.988 38.487 0.038 0.000 1.012 206 N HN 0.249 nan 8.380 nan 0.000 0.507 207 K N 1.215 121.622 120.400 0.011 0.000 2.499 207 K HA 0.299 4.619 4.320 0.000 0.000 0.215 207 K C -2.106 174.498 176.600 0.005 0.000 1.041 207 K CA -1.768 54.526 56.287 0.013 0.000 1.031 207 K CB 1.958 34.469 32.500 0.020 0.000 1.479 207 K HN 0.030 nan 8.250 nan 0.000 0.518 208 P HA -0.105 nan 4.420 nan 0.000 0.221 208 P C 0.916 178.214 177.300 -0.004 0.000 1.150 208 P CA 0.898 63.992 63.100 -0.011 0.000 0.800 208 P CB 0.548 32.245 31.700 -0.005 0.000 0.787 209 E N -0.499 119.704 120.200 0.005 0.000 2.051 209 E HA -0.129 4.221 4.350 0.000 0.000 0.192 209 E C 1.942 178.548 176.600 0.011 0.000 0.991 209 E CA 2.132 58.536 56.400 0.006 0.000 0.799 209 E CB -1.222 28.484 29.700 0.009 0.000 0.748 209 E HN 0.389 nan 8.360 nan 0.000 0.449 210 T N -2.971 111.595 114.554 0.020 0.000 3.057 210 T HA 0.231 4.582 4.350 0.000 0.000 0.254 210 T C 1.454 176.176 174.700 0.038 0.000 1.094 210 T CA 0.827 62.948 62.100 0.034 0.000 1.088 210 T CB 0.242 69.139 68.868 0.047 0.000 0.934 210 T HN 0.269 nan 8.240 nan 0.000 0.497 211 G N 1.134 109.950 108.800 0.026 0.000 2.182 211 G HA2 0.120 4.080 3.960 0.000 0.000 0.248 211 G HA3 0.120 4.080 3.960 0.000 0.000 0.248 211 G C 0.106 175.054 174.900 0.081 0.000 1.042 211 G CA -0.023 45.096 45.100 0.032 0.000 0.775 211 G HN 1.220 nan 8.290 nan 0.000 0.501 212 A N -1.267 121.592 122.820 0.066 0.000 2.386 212 A HA 0.935 5.255 4.320 0.000 0.000 0.308 212 A C -0.064 177.561 177.584 0.069 0.000 1.128 212 A CA -0.295 51.802 52.037 0.101 0.000 0.789 212 A CB 1.988 21.037 19.000 0.080 0.000 1.325 212 A HN 1.217 nan 8.150 nan 0.000 0.437 213 V N 0.812 120.783 119.914 0.097 0.000 2.481 213 V HA 0.531 4.651 4.120 0.000 0.000 0.286 213 V C -0.005 176.111 176.094 0.038 0.000 1.042 213 V CA -0.267 62.073 62.300 0.066 0.000 0.928 213 V CB 1.205 33.077 31.823 0.082 0.000 0.986 213 V HN 0.920 nan 8.190 nan 0.000 0.462 214 E N 4.440 124.654 120.200 0.024 0.000 2.316 214 E HA 0.528 4.878 4.350 0.000 0.000 0.254 214 E C -1.716 174.886 176.600 0.003 0.000 0.902 214 E CA -0.500 55.905 56.400 0.009 0.000 0.801 214 E CB 1.284 30.991 29.700 0.010 0.000 1.270 214 E HN 0.655 nan 8.360 nan 0.000 0.414 215 L N 3.987 125.205 121.223 -0.009 0.000 2.305 215 L HA 0.441 4.781 4.340 0.000 0.000 0.284 215 L C -0.068 176.786 176.870 -0.027 0.000 1.013 215 L CA -0.936 53.895 54.840 -0.015 0.000 0.819 215 L CB 1.574 43.621 42.059 -0.020 0.000 1.227 215 L HN 0.405 nan 8.230 nan 0.000 0.417 216 E N 2.203 122.387 120.200 -0.027 0.000 2.194 216 E HA 0.159 4.509 4.350 0.000 0.000 0.284 216 E C 0.148 176.708 176.600 -0.067 0.000 1.035 216 E CA -0.236 56.140 56.400 -0.040 0.000 0.836 216 E CB 1.312 30.995 29.700 -0.029 0.000 1.070 216 E HN 0.637 nan 8.360 nan 0.000 0.401 217 S N 1.729 117.375 115.700 -0.090 0.000 3.631 217 S HA -0.128 4.343 4.470 0.000 0.000 0.366 217 S C -2.034 172.424 174.600 -0.236 0.000 0.993 217 S CA 0.388 58.496 58.200 -0.153 0.000 1.167 217 S CB -1.372 61.738 63.200 -0.149 0.000 0.909 217 S HN 0.484 nan 8.310 nan 0.000 0.478 218 P HA 0.483 nan 4.420 nan 0.000 0.276 218 P C 0.068 177.214 177.300 -0.255 0.000 1.252 218 P CA -0.535 62.472 63.100 -0.156 0.000 0.802 218 P CB 0.463 32.133 31.700 -0.050 0.000 1.035 219 F N 0.085 120.034 119.950 -0.000 0.000 2.370 219 F HA 0.430 4.957 4.527 0.000 0.000 0.324 219 F C 0.944 176.745 175.800 0.001 0.000 1.116 219 F CA -0.216 57.785 58.000 0.001 0.000 1.123 219 F CB 0.538 39.538 39.000 0.001 0.000 1.238 219 F HN 0.043 nan 8.300 nan 0.000 0.536 220 I N 2.989 123.689 120.570 0.217 0.000 2.447 220 I HA 0.263 4.433 4.170 0.000 0.000 0.287 220 I C -1.321 174.854 176.117 0.096 0.000 1.023 220 I CA -0.818 60.553 61.300 0.119 0.000 1.083 220 I CB 1.877 39.928 38.000 0.085 0.000 1.245 220 I HN 0.289 nan 8.210 nan 0.000 0.434 221 L N 8.151 129.414 121.223 0.067 0.000 2.289 221 L HA 0.564 4.904 4.340 0.000 0.000 0.285 221 L C -1.235 175.653 176.870 0.029 0.000 1.049 221 L CA -0.004 54.860 54.840 0.039 0.000 0.804 221 L CB 1.054 43.129 42.059 0.027 0.000 1.195 221 L HN 0.459 nan 8.230 nan 0.000 0.428 222 L N 6.339 127.573 121.223 0.018 0.000 2.353 222 L HA 0.714 5.054 4.340 0.000 0.000 0.270 222 L C -0.271 176.599 176.870 0.000 0.000 1.003 222 L CA -0.268 54.575 54.840 0.005 0.000 0.862 222 L CB 1.407 43.464 42.059 -0.003 0.000 1.221 222 L HN 0.775 nan 8.230 nan 0.000 0.430 223 A N 1.237 124.059 122.820 0.003 0.000 2.287 223 A HA 0.442 4.762 4.320 0.000 0.000 0.317 223 A C -0.304 177.280 177.584 0.001 0.000 1.220 223 A CA -0.457 51.582 52.037 0.004 0.000 0.835 223 A CB 0.730 19.736 19.000 0.011 0.000 1.180 223 A HN 0.645 nan 8.150 nan 0.000 0.500 224 D N 2.354 122.753 120.400 -0.001 0.000 3.057 224 D HA 0.324 4.964 4.640 0.000 0.000 0.246 224 D C 0.023 176.327 176.300 0.006 0.000 1.238 224 D CA 0.214 54.213 54.000 -0.002 0.000 0.949 224 D CB -0.618 40.178 40.800 -0.007 0.000 1.086 224 D HN 0.619 nan 8.370 nan 0.000 0.487 225 K N -1.172 119.235 120.400 0.012 0.000 2.711 225 K HA 0.319 4.639 4.320 0.000 0.000 0.294 225 K C -1.118 175.496 176.600 0.022 0.000 1.037 225 K CA -1.163 55.134 56.287 0.016 0.000 0.858 225 K CB 0.756 33.264 32.500 0.013 0.000 1.521 225 K HN -0.231 nan 8.250 nan 0.000 0.386 226 K N 1.298 121.713 120.400 0.025 0.000 2.234 226 K HA 0.349 4.669 4.320 0.000 0.000 0.282 226 K C -0.562 176.055 176.600 0.028 0.000 1.039 226 K CA -0.387 55.917 56.287 0.029 0.000 0.928 226 K CB 0.630 33.148 32.500 0.029 0.000 1.039 226 K HN 0.379 nan 8.250 nan 0.000 0.470 227 I N 2.661 123.250 120.570 0.033 0.000 2.306 227 I HA 0.041 4.211 4.170 0.000 0.000 0.288 227 I C 0.650 176.788 176.117 0.035 0.000 1.036 227 I CA 0.015 61.334 61.300 0.032 0.000 1.221 227 I CB 1.459 39.480 38.000 0.035 0.000 1.385 227 I HN 0.657 nan 8.210 nan 0.000 0.472 228 S N 3.657 119.374 115.700 0.028 0.000 2.510 228 S HA 0.159 4.629 4.470 0.000 0.000 0.230 228 S C 0.537 175.151 174.600 0.024 0.000 1.066 228 S CA 0.197 58.413 58.200 0.027 0.000 0.941 228 S CB 0.119 63.332 63.200 0.022 0.000 0.829 228 S HN 0.603 nan 8.310 nan 0.000 0.530 229 N N 0.778 119.490 118.700 0.020 0.000 2.456 229 N HA 0.370 5.110 4.740 0.000 0.000 0.296 229 N C 0.198 175.719 175.510 0.019 0.000 1.102 229 N CA -0.440 52.620 53.050 0.017 0.000 0.924 229 N CB 0.873 39.367 38.487 0.012 0.000 1.186 229 N HN -0.054 nan 8.380 nan 0.000 0.492 230 I N 1.321 121.901 120.570 0.018 0.000 3.111 230 I HA -0.015 4.155 4.170 0.000 0.000 0.272 230 I C 1.766 177.891 176.117 0.013 0.000 1.268 230 I CA 0.708 62.019 61.300 0.019 0.000 1.467 230 I CB -0.106 37.906 38.000 0.019 0.000 1.087 230 I HN 0.507 nan 8.210 nan 0.000 0.467 231 R N 1.834 122.340 120.500 0.010 0.000 2.103 231 R HA -0.214 4.126 4.340 0.000 0.000 0.242 231 R C 2.037 178.340 176.300 0.005 0.000 1.142 231 R CA 1.980 58.084 56.100 0.006 0.000 0.960 231 R CB -0.316 29.987 30.300 0.005 0.000 0.858 231 R HN 0.592 nan 8.270 nan 0.000 0.439 232 E N -1.242 118.962 120.200 0.007 0.000 2.481 232 E HA -0.083 4.267 4.350 0.000 0.000 0.195 232 E C 1.225 177.827 176.600 0.004 0.000 1.047 232 E CA 0.388 56.791 56.400 0.005 0.000 0.867 232 E CB 0.071 29.775 29.700 0.006 0.000 0.858 232 E HN 0.216 nan 8.360 nan 0.000 0.513 233 M N 0.552 120.157 119.600 0.008 0.000 2.486 233 M HA 0.139 4.619 4.480 0.000 0.000 0.264 233 M C 2.061 178.363 176.300 0.004 0.000 1.125 233 M CA 0.489 55.795 55.300 0.009 0.000 1.144 233 M CB -0.305 32.306 32.600 0.019 0.000 1.353 233 M HN 0.211 nan 8.290 nan 0.000 0.466 234 L N 0.768 121.993 121.223 0.003 0.000 2.012 234 L HA -0.190 4.150 4.340 0.000 0.000 0.210 234 L C -0.427 176.438 176.870 -0.008 0.000 1.073 234 L CA 1.694 56.534 54.840 0.000 0.000 0.748 234 L CB -2.234 39.826 42.059 0.001 0.000 0.891 234 L HN 0.155 nan 8.230 nan 0.000 0.431 235 P HA -0.149 nan 4.420 nan 0.000 0.216 235 P C 1.816 179.097 177.300 -0.031 0.000 1.150 235 P CA 1.457 64.545 63.100 -0.020 0.000 0.843 235 P CB -0.046 31.643 31.700 -0.019 0.000 0.787 236 V N 0.014 119.910 119.914 -0.029 0.000 2.379 236 V HA -0.186 3.934 4.120 0.000 0.000 0.245 236 V C 2.806 178.875 176.094 -0.041 0.000 1.044 236 V CA 1.418 63.692 62.300 -0.043 0.000 1.036 236 V CB -1.297 30.508 31.823 -0.030 0.000 0.664 236 V HN 0.003 nan 8.190 nan 0.000 0.453 237 L N -0.241 120.971 121.223 -0.018 0.000 2.046 237 L HA -0.189 4.151 4.340 0.000 0.000 0.208 237 L C 2.607 179.470 176.870 -0.012 0.000 1.077 237 L CA 1.710 56.546 54.840 -0.006 0.000 0.747 237 L CB -0.585 41.480 42.059 0.009 0.000 0.896 237 L HN 0.365 nan 8.230 nan 0.000 0.432 238 E N 0.050 120.240 120.200 -0.017 0.000 2.110 238 E HA -0.197 4.153 4.350 0.000 0.000 0.193 238 E C 2.292 178.872 176.600 -0.033 0.000 0.988 238 E CA 1.121 57.510 56.400 -0.018 0.000 0.804 238 E CB -0.134 29.557 29.700 -0.016 0.000 0.745 238 E HN 0.485 nan 8.360 nan 0.000 0.458 239 A N 0.612 123.399 122.820 -0.056 0.000 1.930 239 A HA -0.117 4.203 4.320 0.000 0.000 0.217 239 A C 2.349 179.860 177.584 -0.121 0.000 1.175 239 A CA 1.020 53.002 52.037 -0.091 0.000 0.627 239 A CB -0.480 18.448 19.000 -0.120 0.000 0.815 239 A HN 0.218 nan 8.150 nan 0.000 0.443 240 V N -0.660 119.190 119.914 -0.107 0.000 2.871 240 V HA 0.024 4.144 4.120 0.000 0.000 0.256 240 V C 2.603 178.707 176.094 0.017 0.000 1.082 240 V CA 1.539 63.791 62.300 -0.080 0.000 1.105 240 V CB -0.283 31.526 31.823 -0.024 0.000 0.713 240 V HN 0.580 nan 8.190 nan 0.000 0.473 241 A N 1.005 123.829 122.820 0.006 0.000 1.898 241 A HA -0.140 4.180 4.320 0.000 0.000 0.214 241 A C 2.164 179.763 177.584 0.025 0.000 1.183 241 A CA 1.570 53.621 52.037 0.024 0.000 0.622 241 A CB -0.337 18.672 19.000 0.014 0.000 0.824 241 A HN 0.682 nan 8.150 nan 0.000 0.444 242 K N -0.379 120.026 120.400 0.009 0.000 2.296 242 K HA 0.264 4.584 4.320 0.000 0.000 0.200 242 K C 1.826 178.443 176.600 0.027 0.000 1.048 242 K CA 0.958 57.252 56.287 0.012 0.000 0.966 242 K CB -0.290 32.209 32.500 -0.001 0.000 0.754 242 K HN 0.242 nan 8.250 nan 0.000 0.466 243 A N 1.960 124.801 122.820 0.034 0.000 2.015 243 A HA 0.120 4.440 4.320 0.000 0.000 0.219 243 A C 1.691 179.359 177.584 0.140 0.000 1.163 243 A CA 1.020 53.116 52.037 0.099 0.000 0.646 243 A CB -0.842 18.226 19.000 0.112 0.000 0.806 243 A HN 0.574 nan 8.150 nan 0.000 0.448 244 G N -0.995 107.871 108.800 0.111 0.000 2.212 244 G HA2 -0.222 3.738 3.960 0.000 0.000 0.255 244 G HA3 -0.222 3.738 3.960 0.000 0.000 0.255 244 G C -0.066 174.895 174.900 0.101 0.000 1.062 244 G CA 0.663 45.815 45.100 0.088 0.000 0.815 244 G HN 0.642 nan 8.290 nan 0.000 0.497 245 K N -0.379 120.114 120.400 0.155 0.000 2.482 245 K HA 0.590 4.910 4.320 0.000 0.000 0.257 245 K C -2.626 174.057 176.600 0.138 0.000 0.969 245 K CA -2.179 54.185 56.287 0.129 0.000 0.842 245 K CB 2.602 35.172 32.500 0.117 0.000 1.359 245 K HN 0.002 nan 8.250 nan 0.000 0.441 246 P HA 0.214 nan 4.420 nan 0.000 0.274 246 P C -1.405 175.957 177.300 0.103 0.000 1.256 246 P CA -0.623 62.517 63.100 0.066 0.000 0.795 246 P CB 0.492 32.204 31.700 0.021 0.000 1.038 247 L N 0.849 122.114 121.223 0.071 0.000 2.438 247 L HA 0.518 4.858 4.340 0.000 0.000 0.270 247 L C -1.584 175.294 176.870 0.012 0.000 0.972 247 L CA -0.875 54.013 54.840 0.080 0.000 0.831 247 L CB 1.585 43.695 42.059 0.086 0.000 1.273 247 L HN 0.115 nan 8.230 nan 0.000 0.405 248 L N 6.132 127.367 121.223 0.020 0.000 2.276 248 L HA 0.608 4.948 4.340 0.000 0.000 0.286 248 L C -0.917 175.960 176.870 0.012 0.000 1.061 248 L CA 0.164 54.998 54.840 -0.011 0.000 0.807 248 L CB 0.918 42.983 42.059 0.010 0.000 1.177 248 L HN 0.571 nan 8.230 nan 0.000 0.429 249 I N 6.729 127.291 120.570 -0.014 0.000 2.330 249 I HA 0.342 4.512 4.170 0.000 0.000 0.289 249 I C -0.530 175.606 176.117 0.032 0.000 1.001 249 I CA -0.281 61.026 61.300 0.011 0.000 1.193 249 I CB 1.132 39.135 38.000 0.005 0.000 1.345 249 I HN 0.503 nan 8.210 nan 0.000 0.461 250 I N 6.450 127.046 120.570 0.043 0.000 2.354 250 I HA 0.620 4.791 4.170 0.000 0.000 0.286 250 I C 0.178 176.310 176.117 0.025 0.000 1.007 250 I CA -0.055 61.274 61.300 0.049 0.000 1.167 250 I CB 1.271 39.295 38.000 0.041 0.000 1.320 250 I HN 0.646 nan 8.210 nan 0.000 0.458 251 A N 4.664 127.505 122.820 0.034 0.000 2.530 251 A HA 0.456 4.776 4.320 0.000 0.000 0.288 251 A C 0.749 178.352 177.584 0.032 0.000 1.172 251 A CA -0.539 51.514 52.037 0.027 0.000 0.733 251 A CB 1.427 20.447 19.000 0.034 0.000 1.320 251 A HN 0.706 nan 8.150 nan 0.000 0.419 252 E N -0.642 119.575 120.200 0.029 0.000 2.085 252 E HA -0.169 4.181 4.350 0.000 0.000 0.194 252 E C -0.377 176.253 176.600 0.050 0.000 0.994 252 E CA 1.756 58.179 56.400 0.038 0.000 0.801 252 E CB 0.143 29.864 29.700 0.036 0.000 0.743 252 E HN 0.594 nan 8.360 nan 0.000 0.453 253 D N -2.154 118.276 120.400 0.050 0.000 2.648 253 D HA 0.204 4.844 4.640 0.000 0.000 0.244 253 D C -1.858 174.479 176.300 0.062 0.000 1.244 253 D CA -0.523 53.513 54.000 0.060 0.000 0.772 253 D CB 2.086 42.920 40.800 0.056 0.000 1.379 253 D HN -0.167 nan 8.370 nan 0.000 0.428 254 V N 2.203 122.164 119.914 0.078 0.000 2.444 254 V HA 0.536 4.656 4.120 0.000 0.000 0.294 254 V C -0.117 176.028 176.094 0.085 0.000 1.022 254 V CA -0.561 61.789 62.300 0.083 0.000 0.850 254 V CB 1.547 33.432 31.823 0.105 0.000 0.992 254 V HN 0.430 nan 8.190 nan 0.000 0.426 255 E N 2.198 122.437 120.200 0.065 0.000 2.359 255 E HA 0.634 4.984 4.350 0.000 0.000 0.266 255 E C 1.003 177.629 176.600 0.044 0.000 0.920 255 E CA -0.216 56.216 56.400 0.054 0.000 0.788 255 E CB 2.208 31.933 29.700 0.042 0.000 1.279 255 E HN 0.753 nan 8.360 nan 0.000 0.438 256 G N 1.795 110.615 108.800 0.034 0.000 2.714 256 G HA2 -0.477 3.483 3.960 0.000 0.000 0.368 256 G HA3 -0.477 3.483 3.960 0.000 0.000 0.368 256 G C 1.178 176.088 174.900 0.018 0.000 1.034 256 G CA 1.263 46.376 45.100 0.021 0.000 0.867 256 G HN 0.679 nan 8.290 nan 0.000 0.751 257 E N 1.194 121.403 120.200 0.016 0.000 2.038 257 E HA -0.136 4.214 4.350 0.000 0.000 0.195 257 E C 3.053 179.665 176.600 0.020 0.000 1.000 257 E CA 2.084 58.492 56.400 0.012 0.000 0.803 257 E CB -0.592 29.114 29.700 0.011 0.000 0.750 257 E HN 0.622 nan 8.360 nan 0.000 0.448 258 A N 1.166 124.005 122.820 0.031 0.000 1.877 258 A HA -0.173 4.148 4.320 0.000 0.000 0.216 258 A C 2.265 179.886 177.584 0.062 0.000 1.186 258 A CA 1.472 53.535 52.037 0.043 0.000 0.620 258 A CB -0.787 18.241 19.000 0.046 0.000 0.822 258 A HN 0.334 nan 8.150 nan 0.000 0.443 259 L N -0.240 121.026 121.223 0.071 0.000 2.046 259 L HA -0.076 4.264 4.340 0.000 0.000 0.208 259 L C 2.665 179.566 176.870 0.052 0.000 1.077 259 L CA 2.204 57.105 54.840 0.100 0.000 0.747 259 L CB -0.643 41.476 42.059 0.101 0.000 0.896 259 L HN 0.348 nan 8.230 nan 0.000 0.432 260 A N -1.619 121.208 122.820 0.012 0.000 1.902 260 A HA -0.193 4.127 4.320 0.000 0.000 0.217 260 A C 2.259 179.824 177.584 -0.032 0.000 1.181 260 A CA 2.249 54.267 52.037 -0.032 0.000 0.623 260 A CB -1.187 17.793 19.000 -0.033 0.000 0.818 260 A HN 0.512 nan 8.150 nan 0.000 0.443 261 T N 0.471 115.025 114.554 -0.001 0.000 2.821 261 T HA -0.055 4.295 4.350 0.000 0.000 0.267 261 T C 1.794 176.511 174.700 0.028 0.000 1.046 261 T CA 1.387 63.490 62.100 0.006 0.000 1.139 261 T CB -0.338 68.539 68.868 0.016 0.000 0.871 261 T HN 0.363 nan 8.240 nan 0.000 0.454 262 L N 0.586 121.852 121.223 0.073 0.000 2.056 262 L HA -0.060 4.280 4.340 0.000 0.000 0.207 262 L C 2.677 179.630 176.870 0.138 0.000 1.078 262 L CA 0.784 55.717 54.840 0.156 0.000 0.749 262 L CB -0.694 41.523 42.059 0.264 0.000 0.901 262 L HN 0.136 nan 8.230 nan 0.000 0.433 263 V N -0.495 119.402 119.914 -0.028 0.000 2.255 263 V HA -0.277 3.843 4.120 0.000 0.000 0.247 263 V C 2.428 178.418 176.094 -0.173 0.000 1.051 263 V CA 1.728 63.865 62.300 -0.272 0.000 1.018 263 V CB -0.296 31.316 31.823 -0.352 0.000 0.641 263 V HN 0.184 nan 8.190 nan 0.000 0.445 264 V N 0.275 120.116 119.914 -0.123 0.000 2.261 264 V HA -0.286 3.834 4.120 0.000 0.000 0.246 264 V C 2.087 178.155 176.094 -0.043 0.000 1.047 264 V CA 2.540 64.780 62.300 -0.100 0.000 1.015 264 V CB -0.959 30.814 31.823 -0.084 0.000 0.642 264 V HN 0.617 nan 8.190 nan 0.000 0.446 265 N N -0.734 117.963 118.700 -0.005 0.000 2.166 265 N HA -0.180 4.560 4.740 0.000 0.000 0.186 265 N C 1.885 177.421 175.510 0.043 0.000 1.019 265 N CA 1.569 54.631 53.050 0.021 0.000 0.856 265 N CB -0.119 38.389 38.487 0.036 0.000 0.993 265 N HN 0.402 nan 8.380 nan 0.000 0.426 266 T N 0.176 114.777 114.554 0.078 0.000 2.942 266 T HA 0.066 4.417 4.350 0.000 0.000 0.265 266 T C 1.632 176.373 174.700 0.069 0.000 1.062 266 T CA 0.614 62.782 62.100 0.113 0.000 1.139 266 T CB 0.043 69.063 68.868 0.254 0.000 0.883 266 T HN 0.143 nan 8.240 nan 0.000 0.468 267 M N -0.164 119.449 119.600 0.022 0.000 2.558 267 M HA 0.179 4.660 4.480 0.000 0.000 0.255 267 M C 2.021 178.317 176.300 -0.008 0.000 1.113 267 M CA 0.617 55.918 55.300 0.002 0.000 1.097 267 M CB 0.111 32.685 32.600 -0.044 0.000 1.426 267 M HN 0.104 nan 8.290 nan 0.000 0.488 268 R N -0.713 119.783 120.500 -0.007 0.000 2.210 268 R HA 0.094 4.434 4.340 0.000 0.000 0.203 268 R C 1.275 177.577 176.300 0.003 0.000 1.010 268 R CA 0.850 56.945 56.100 -0.008 0.000 1.008 268 R CB 0.236 30.529 30.300 -0.011 0.000 0.923 268 R HN 0.540 nan 8.270 nan 0.000 0.469 269 G N 0.539 109.349 108.800 0.017 0.000 2.176 269 G HA2 -0.249 3.711 3.960 0.000 0.000 0.232 269 G HA3 -0.249 3.711 3.960 0.000 0.000 0.232 269 G C 0.769 175.683 174.900 0.025 0.000 0.986 269 G CA 0.104 45.218 45.100 0.022 0.000 0.643 269 G HN 0.224 nan 8.290 nan 0.000 0.522 270 I N 0.218 120.803 120.570 0.024 0.000 2.133 270 I HA 0.043 4.213 4.170 0.000 0.000 0.238 270 I C 1.328 177.464 176.117 0.032 0.000 1.074 270 I CA 2.077 63.391 61.300 0.023 0.000 1.342 270 I CB -0.179 37.832 38.000 0.018 0.000 1.053 270 I HN 0.304 nan 8.210 nan 0.000 0.404 271 V N -1.313 118.627 119.914 0.043 0.000 2.760 271 V HA 0.396 4.516 4.120 0.000 0.000 0.309 271 V C -0.449 175.686 176.094 0.067 0.000 1.077 271 V CA -1.198 61.133 62.300 0.051 0.000 0.910 271 V CB 1.683 33.536 31.823 0.050 0.000 1.008 271 V HN 0.073 nan 8.190 nan 0.000 0.424 272 K N 3.080 123.518 120.400 0.063 0.000 2.262 272 K HA 0.630 4.950 4.320 0.000 0.000 0.288 272 K C -0.893 175.741 176.600 0.057 0.000 1.090 272 K CA -0.136 56.192 56.287 0.069 0.000 0.918 272 K CB 0.511 33.043 32.500 0.052 0.000 1.139 272 K HN 0.742 nan 8.250 nan 0.000 0.462 273 V N 2.131 122.088 119.914 0.072 0.000 2.864 273 V HA 0.853 4.973 4.120 0.000 0.000 0.314 273 V C -0.614 175.332 176.094 -0.246 0.000 1.073 273 V CA -1.084 61.209 62.300 -0.012 0.000 0.956 273 V CB 1.777 33.628 31.823 0.047 0.000 1.023 273 V HN 0.798 nan 8.190 nan 0.000 0.435 274 A N 1.795 124.346 122.820 -0.448 0.000 2.515 274 A HA 0.994 5.314 4.320 0.000 0.000 0.298 274 A C -0.732 176.490 177.584 -0.604 0.000 1.059 274 A CA -0.240 51.200 52.037 -0.995 0.000 0.698 274 A CB 1.927 20.587 19.000 -0.567 0.000 1.289 274 A HN 1.689 nan 8.150 nan 0.000 0.404 275 A N 0.754 123.192 122.820 -0.636 0.000 2.371 275 A HA 0.816 5.136 4.320 0.000 0.000 0.311 275 A C -0.470 177.118 177.584 0.007 0.000 1.068 275 A CA -0.126 51.825 52.037 -0.144 0.000 0.744 275 A CB 1.229 20.241 19.000 0.021 0.000 1.239 275 A HN 2.276 nan 8.150 nan 0.000 0.435 276 V N -0.393 119.556 119.914 0.059 0.000 2.925 276 V HA 0.628 4.748 4.120 0.000 0.000 0.311 276 V C -0.424 175.749 176.094 0.131 0.000 1.104 276 V CA -1.240 61.131 62.300 0.118 0.000 0.954 276 V CB 1.444 33.354 31.823 0.145 0.000 1.022 276 V HN 0.844 nan 8.190 nan 0.000 0.427 277 K N 2.338 122.818 120.400 0.135 0.000 2.436 277 K HA 0.585 4.905 4.320 0.000 0.000 0.275 277 K C 0.561 177.234 176.600 0.122 0.000 0.999 277 K CA 0.512 56.868 56.287 0.114 0.000 0.980 277 K CB 0.973 33.536 32.500 0.105 0.000 0.919 277 K HN 1.140 nan 8.250 nan 0.000 0.484 278 A N 4.962 127.812 122.820 0.049 0.000 2.462 278 A HA 0.202 4.522 4.320 0.000 0.000 0.243 278 A C -2.094 175.465 177.584 -0.042 0.000 1.076 278 A CA -1.148 50.859 52.037 -0.049 0.000 0.773 278 A CB -0.319 18.645 19.000 -0.059 0.000 1.010 278 A HN 0.478 nan 8.150 nan 0.000 0.493 279 P HA 0.332 nan 4.420 nan 0.000 0.271 279 P C 0.828 178.124 177.300 -0.006 0.000 1.216 279 P CA 1.491 64.550 63.100 -0.067 0.000 0.776 279 P CB 0.528 32.073 31.700 -0.259 0.000 0.881 280 G N 2.518 111.371 108.800 0.089 0.000 2.601 280 G HA2 -0.108 3.853 3.960 0.000 0.000 0.252 280 G HA3 -0.108 3.853 3.960 0.000 0.000 0.252 280 G C -0.630 174.406 174.900 0.228 0.000 1.294 280 G CA 0.282 45.464 45.100 0.138 0.000 0.912 280 G HN 0.747 nan 8.290 nan 0.000 0.574 281 F N -3.051 116.910 119.950 0.018 0.000 2.789 281 F HA 0.767 5.294 4.527 0.000 0.000 0.319 281 F C 1.076 176.886 175.800 0.017 0.000 1.168 281 F CA 0.312 58.322 58.000 0.016 0.000 0.934 281 F CB 0.735 39.748 39.000 0.023 0.000 1.375 281 F HN 2.452 nan 8.300 nan 0.000 0.480 282 G N 1.255 110.126 108.800 0.117 0.000 2.596 282 G HA2 -0.318 3.642 3.960 0.000 0.000 0.295 282 G HA3 -0.318 3.642 3.960 0.000 0.000 0.295 282 G C 0.239 175.092 174.900 -0.077 0.000 1.240 282 G CA 0.816 45.914 45.100 -0.002 0.000 0.985 282 G HN 0.900 nan 8.290 nan 0.000 0.555 283 D N 0.126 120.462 120.400 -0.107 0.000 2.149 283 D HA -0.024 4.616 4.640 0.000 0.000 0.201 283 D C 2.321 178.558 176.300 -0.106 0.000 0.972 283 D CA 1.032 54.984 54.000 -0.081 0.000 0.835 283 D CB -0.270 40.494 40.800 -0.060 0.000 0.966 283 D HN 0.445 nan 8.370 nan 0.000 0.476 284 R N 1.018 121.418 120.500 -0.167 0.000 2.120 284 R HA -0.083 4.257 4.340 0.000 0.000 0.234 284 R C 2.171 178.391 176.300 -0.133 0.000 1.123 284 R CA 0.742 56.745 56.100 -0.161 0.000 0.975 284 R CB 0.037 30.206 30.300 -0.217 0.000 0.866 284 R HN 0.069 nan 8.270 nan 0.000 0.446 285 R N 0.580 121.005 120.500 -0.126 0.000 2.075 285 R HA -0.101 4.239 4.340 0.000 0.000 0.232 285 R C 1.764 178.017 176.300 -0.077 0.000 1.126 285 R CA 1.336 57.387 56.100 -0.083 0.000 0.963 285 R CB 0.048 30.330 30.300 -0.030 0.000 0.858 285 R HN 0.071 nan 8.270 nan 0.000 0.435 286 K N 0.329 120.691 120.400 -0.062 0.000 2.057 286 K HA -0.100 4.220 4.320 0.000 0.000 0.207 286 K C 2.019 178.583 176.600 -0.059 0.000 1.049 286 K CA 1.447 57.704 56.287 -0.051 0.000 0.931 286 K CB -0.477 32.001 32.500 -0.037 0.000 0.714 286 K HN 0.223 nan 8.250 nan 0.000 0.440 287 A N 1.624 124.404 122.820 -0.067 0.000 1.898 287 A HA -0.070 4.250 4.320 0.000 0.000 0.216 287 A C 2.322 179.860 177.584 -0.077 0.000 1.181 287 A CA 1.394 53.392 52.037 -0.065 0.000 0.620 287 A CB -0.410 18.550 19.000 -0.066 0.000 0.819 287 A HN 0.176 nan 8.150 nan 0.000 0.442 288 M N -0.778 118.763 119.600 -0.099 0.000 2.229 288 M HA -0.068 4.412 4.480 0.000 0.000 0.264 288 M C 2.153 178.362 176.300 -0.152 0.000 1.063 288 M CA 1.112 56.335 55.300 -0.128 0.000 1.114 288 M CB -0.481 32.023 32.600 -0.159 0.000 1.387 288 M HN 0.403 nan 8.290 nan 0.000 0.420 289 L N -0.018 121.124 121.223 -0.135 0.000 2.042 289 L HA -0.266 4.074 4.340 0.000 0.000 0.210 289 L C 2.667 179.488 176.870 -0.081 0.000 1.076 289 L CA 1.404 56.173 54.840 -0.118 0.000 0.749 289 L CB -0.419 41.590 42.059 -0.084 0.000 0.893 289 L HN 0.311 nan 8.230 nan 0.000 0.432 290 Q N 0.182 119.943 119.800 -0.064 0.000 2.119 290 Q HA -0.211 4.129 4.340 0.000 0.000 0.201 290 Q C 1.611 177.586 176.000 -0.042 0.000 0.972 290 Q CA 1.855 57.631 55.803 -0.045 0.000 0.847 290 Q CB -0.134 28.582 28.738 -0.038 0.000 0.903 290 Q HN 0.395 nan 8.270 nan 0.000 0.433 291 D N -0.184 120.184 120.400 -0.054 0.000 2.092 291 D HA -0.169 4.471 4.640 0.000 0.000 0.193 291 D C 1.821 178.101 176.300 -0.033 0.000 0.994 291 D CA 1.666 55.639 54.000 -0.044 0.000 0.828 291 D CB -0.271 40.497 40.800 -0.054 0.000 0.963 291 D HN 0.367 nan 8.370 nan 0.000 0.450 292 I N 0.919 121.458 120.570 -0.052 0.000 2.208 292 I HA -0.287 3.883 4.170 0.000 0.000 0.245 292 I C 2.437 178.549 176.117 -0.007 0.000 1.097 292 I CA 1.183 62.467 61.300 -0.027 0.000 1.363 292 I CB -0.339 37.622 38.000 -0.065 0.000 1.051 292 I HN -0.052 nan 8.210 nan 0.000 0.413 293 A N 0.568 123.377 122.820 -0.017 0.000 1.940 293 A HA -0.210 4.110 4.320 0.000 0.000 0.219 293 A C 2.396 179.981 177.584 0.002 0.000 1.176 293 A CA 2.544 54.578 52.037 -0.004 0.000 0.631 293 A CB -1.104 17.889 19.000 -0.011 0.000 0.814 293 A HN 0.440 nan 8.150 nan 0.000 0.446 294 T N 0.181 114.732 114.554 -0.004 0.000 2.701 294 T HA -0.081 4.269 4.350 0.000 0.000 0.263 294 T C 1.880 176.583 174.700 0.005 0.000 1.040 294 T CA 1.136 63.235 62.100 -0.001 0.000 1.147 294 T CB -0.453 68.411 68.868 -0.007 0.000 0.865 294 T HN 0.351 nan 8.240 nan 0.000 0.426 295 L N 1.445 122.672 121.223 0.006 0.000 2.013 295 L HA -0.184 4.156 4.340 0.000 0.000 0.212 295 L C 2.563 179.442 176.870 0.016 0.000 1.073 295 L CA 2.152 56.999 54.840 0.012 0.000 0.753 295 L CB -0.691 41.380 42.059 0.019 0.000 0.890 295 L HN 0.494 nan 8.230 nan 0.000 0.432 296 T N -4.297 110.269 114.554 0.021 0.000 3.081 296 T HA 0.208 4.558 4.350 0.000 0.000 0.250 296 T C 1.259 175.978 174.700 0.030 0.000 1.100 296 T CA 0.403 62.519 62.100 0.027 0.000 1.038 296 T CB 0.301 69.191 68.868 0.037 0.000 0.962 296 T HN 0.561 nan 8.240 nan 0.000 0.516 297 G N 0.668 109.483 108.800 0.024 0.000 2.176 297 G HA2 -0.013 3.947 3.960 0.000 0.000 0.252 297 G HA3 -0.013 3.947 3.960 0.000 0.000 0.252 297 G C 0.315 175.236 174.900 0.034 0.000 1.024 297 G CA -0.191 44.925 45.100 0.026 0.000 0.755 297 G HN 1.031 nan 8.290 nan 0.000 0.507 298 G N -1.425 107.395 108.800 0.032 0.000 2.491 298 G HA2 0.727 4.687 3.960 0.000 0.000 0.327 298 G HA3 0.727 4.687 3.960 0.000 0.000 0.327 298 G C -0.238 174.671 174.900 0.016 0.000 1.189 298 G CA 0.216 45.336 45.100 0.033 0.000 0.956 298 G HN 0.604 nan 8.290 nan 0.000 0.491 299 T N 0.277 114.838 114.554 0.012 0.000 2.794 299 T HA 0.398 4.748 4.350 0.000 0.000 0.280 299 T C 0.089 174.789 174.700 0.000 0.000 0.987 299 T CA -0.336 61.766 62.100 0.003 0.000 0.993 299 T CB 1.750 70.618 68.868 0.001 0.000 0.939 299 T HN 0.297 nan 8.240 nan 0.000 0.449 300 V N 4.534 124.445 119.914 -0.005 0.000 2.470 300 V HA 0.172 4.292 4.120 0.000 0.000 0.276 300 V C 0.196 176.286 176.094 -0.007 0.000 1.040 300 V CA -0.398 61.897 62.300 -0.008 0.000 1.008 300 V CB -0.064 31.750 31.823 -0.015 0.000 0.990 300 V HN 0.705 nan 8.190 nan 0.000 0.477 301 I N 5.630 126.197 120.570 -0.005 0.000 2.337 301 I HA 0.298 4.468 4.170 0.000 0.000 0.291 301 I C 0.521 176.636 176.117 -0.004 0.000 1.046 301 I CA 0.764 62.062 61.300 -0.004 0.000 1.324 301 I CB 1.248 39.246 38.000 -0.003 0.000 1.409 301 I HN 0.725 nan 8.210 nan 0.000 0.494 302 S N 3.955 119.653 115.700 -0.004 0.000 2.502 302 S HA 0.437 4.907 4.470 0.000 0.000 0.304 302 S C 0.597 175.196 174.600 -0.001 0.000 1.097 302 S CA -0.786 57.412 58.200 -0.003 0.000 1.045 302 S CB 1.616 64.813 63.200 -0.005 0.000 1.019 302 S HN 0.637 nan 8.310 nan 0.000 0.481 303 E N 2.016 122.217 120.200 0.002 0.000 2.085 303 E HA -0.201 4.149 4.350 0.000 0.000 0.194 303 E C 1.507 178.108 176.600 0.002 0.000 0.994 303 E CA 1.584 57.986 56.400 0.003 0.000 0.801 303 E CB -0.105 29.598 29.700 0.005 0.000 0.743 303 E HN 0.833 nan 8.360 nan 0.000 0.453 304 E N 0.263 120.464 120.200 0.001 0.000 2.086 304 E HA -0.227 4.124 4.350 0.000 0.000 0.205 304 E C 1.662 178.262 176.600 -0.000 0.000 1.027 304 E CA 1.325 57.726 56.400 0.001 0.000 0.830 304 E CB -0.200 29.500 29.700 -0.001 0.000 0.751 304 E HN 0.336 nan 8.360 nan 0.000 0.456 305 I N -0.263 120.306 120.570 -0.002 0.000 3.812 305 I HA 0.155 4.325 4.170 0.000 0.000 0.319 305 I C 1.023 177.138 176.117 -0.002 0.000 1.353 305 I CA 0.204 61.503 61.300 -0.002 0.000 1.170 305 I CB 0.196 38.193 38.000 -0.004 0.000 1.057 305 I HN 0.171 nan 8.210 nan 0.000 0.411 306 G N 1.422 110.221 108.800 -0.001 0.000 2.160 306 G HA2 -0.309 3.651 3.960 0.000 0.000 0.251 306 G HA3 -0.309 3.651 3.960 0.000 0.000 0.251 306 G C 0.257 175.156 174.900 -0.002 0.000 1.008 306 G CA -0.184 44.916 45.100 -0.001 0.000 0.724 306 G HN 0.372 nan 8.290 nan 0.000 0.514 307 M N 0.683 120.282 119.600 -0.002 0.000 2.162 307 M HA 0.344 4.824 4.480 0.000 0.000 0.356 307 M C 0.488 176.787 176.300 -0.002 0.000 1.303 307 M CA 0.347 55.645 55.300 -0.003 0.000 1.116 307 M CB 0.607 33.205 32.600 -0.004 0.000 1.632 307 M HN 0.258 nan 8.290 nan 0.000 0.469 308 E N 2.686 122.884 120.200 -0.003 0.000 2.204 308 E HA 0.210 4.560 4.350 0.000 0.000 0.276 308 E C 0.344 176.942 176.600 -0.004 0.000 0.974 308 E CA -0.402 55.996 56.400 -0.003 0.000 0.815 308 E CB 1.720 31.418 29.700 -0.003 0.000 1.119 308 E HN 0.687 nan 8.360 nan 0.000 0.393 309 L N 2.231 123.452 121.223 -0.003 0.000 2.201 309 L HA -0.173 4.167 4.340 0.000 0.000 0.212 309 L C 1.524 178.389 176.870 -0.008 0.000 1.105 309 L CA 1.180 56.018 54.840 -0.004 0.000 0.775 309 L CB -0.087 41.972 42.059 0.000 0.000 0.913 309 L HN 0.559 nan 8.230 nan 0.000 0.440 310 E N -0.064 120.133 120.200 -0.007 0.000 2.338 310 E HA -0.168 4.182 4.350 0.000 0.000 0.197 310 E C 1.684 178.277 176.600 -0.012 0.000 1.007 310 E CA 0.807 57.202 56.400 -0.009 0.000 0.849 310 E CB 0.047 29.744 29.700 -0.006 0.000 0.774 310 E HN 0.358 nan 8.360 nan 0.000 0.506 311 K N 0.034 120.427 120.400 -0.012 0.000 2.367 311 K HA 0.280 4.600 4.320 0.000 0.000 0.194 311 K C 0.206 176.795 176.600 -0.019 0.000 1.027 311 K CA 0.083 56.361 56.287 -0.014 0.000 1.075 311 K CB 0.827 33.320 32.500 -0.011 0.000 0.845 311 K HN -0.017 nan 8.250 nan 0.000 0.529 312 A N 2.439 125.247 122.820 -0.020 0.000 2.444 312 A HA 0.148 4.468 4.320 0.000 0.000 0.273 312 A C 0.466 178.026 177.584 -0.040 0.000 1.136 312 A CA -0.206 51.816 52.037 -0.025 0.000 0.799 312 A CB -0.219 18.769 19.000 -0.021 0.000 1.081 312 A HN 0.256 nan 8.150 nan 0.000 0.509 313 T N 0.551 115.077 114.554 -0.046 0.000 2.897 313 T HA 0.474 4.824 4.350 0.000 0.000 0.278 313 T C 1.230 175.871 174.700 -0.099 0.000 0.981 313 T CA -0.690 61.370 62.100 -0.068 0.000 0.973 313 T CB 0.487 69.322 68.868 -0.055 0.000 1.092 313 T HN 0.317 nan 8.240 nan 0.000 0.543 314 L N -0.041 121.090 121.223 -0.153 0.000 2.197 314 L HA -0.145 4.195 4.340 0.000 0.000 0.215 314 L C 2.888 179.680 176.870 -0.129 0.000 1.095 314 L CA 1.508 56.201 54.840 -0.246 0.000 0.764 314 L CB -0.653 41.216 42.059 -0.316 0.000 0.897 314 L HN 0.756 nan 8.230 nan 0.000 0.436 315 E N 0.148 120.306 120.200 -0.068 0.000 2.058 315 E HA -0.226 4.124 4.350 0.000 0.000 0.194 315 E C 1.725 178.321 176.600 -0.007 0.000 0.997 315 E CA 1.447 57.833 56.400 -0.022 0.000 0.801 315 E CB -0.080 29.609 29.700 -0.018 0.000 0.746 315 E HN 0.394 nan 8.360 nan 0.000 0.450 316 D N -0.555 119.834 120.400 -0.018 0.000 2.348 316 D HA -0.060 4.580 4.640 0.000 0.000 0.216 316 D C -0.176 176.129 176.300 0.009 0.000 0.970 316 D CA 0.269 54.266 54.000 -0.005 0.000 0.889 316 D CB 0.035 40.827 40.800 -0.012 0.000 0.912 316 D HN 0.106 nan 8.370 nan 0.000 0.524 317 L N 0.657 121.885 121.223 0.009 0.000 2.349 317 L HA 0.330 4.670 4.340 0.000 0.000 0.275 317 L C 1.359 178.308 176.870 0.132 0.000 1.115 317 L CA -0.180 54.695 54.840 0.058 0.000 0.820 317 L CB 1.171 43.241 42.059 0.018 0.000 1.135 317 L HN -0.169 nan 8.230 nan 0.000 0.445 318 G N 2.164 111.041 108.800 0.127 0.000 2.588 318 G HA2 0.511 4.471 3.960 0.000 0.000 0.281 318 G HA3 0.511 4.471 3.960 0.000 0.000 0.281 318 G C -0.805 174.183 174.900 0.146 0.000 1.236 318 G CA -0.294 44.874 45.100 0.114 0.000 0.969 318 G HN 0.555 nan 8.290 nan 0.000 0.504 319 Q N -1.623 118.215 119.800 0.064 0.000 2.377 319 Q HA 0.596 4.936 4.340 0.000 0.000 0.279 319 Q C -0.942 175.035 176.000 -0.038 0.000 1.049 319 Q CA -0.714 55.074 55.803 -0.024 0.000 0.825 319 Q CB 2.582 31.286 28.738 -0.056 0.000 1.401 319 Q HN 0.888 nan 8.270 nan 0.000 0.404 320 A N 1.193 123.967 122.820 -0.076 0.000 2.587 320 A HA 0.412 4.732 4.320 0.000 0.000 0.293 320 A C -0.292 177.246 177.584 -0.077 0.000 1.087 320 A CA -0.577 51.428 52.037 -0.053 0.000 0.692 320 A CB 1.685 20.670 19.000 -0.025 0.000 1.291 320 A HN 0.645 nan 8.150 nan 0.000 0.407 321 K N -0.074 120.291 120.400 -0.057 0.000 2.217 321 K HA 0.035 4.355 4.320 0.000 0.000 0.202 321 K C 0.418 176.986 176.600 -0.055 0.000 1.051 321 K CA 1.196 57.448 56.287 -0.059 0.000 0.952 321 K CB 0.053 32.528 32.500 -0.042 0.000 0.736 321 K HN 0.640 nan 8.250 nan 0.000 0.453 322 R N -0.464 120.010 120.500 -0.044 0.000 2.634 322 R HA 0.196 4.536 4.340 0.000 0.000 0.263 322 R C -1.734 174.547 176.300 -0.031 0.000 1.060 322 R CA -0.586 55.491 56.100 -0.037 0.000 0.898 322 R CB 1.884 32.166 30.300 -0.030 0.000 1.253 322 R HN -0.052 nan 8.270 nan 0.000 0.461 323 V N 0.332 120.229 119.914 -0.029 0.000 2.735 323 V HA 0.854 4.974 4.120 0.000 0.000 0.310 323 V C -1.159 174.919 176.094 -0.027 0.000 1.061 323 V CA -0.639 61.644 62.300 -0.027 0.000 0.913 323 V CB 2.083 33.893 31.823 -0.021 0.000 1.005 323 V HN 0.415 nan 8.190 nan 0.000 0.428 324 V N 5.358 125.249 119.914 -0.037 0.000 2.588 324 V HA 0.613 4.734 4.120 0.000 0.000 0.304 324 V C -0.446 175.625 176.094 -0.039 0.000 1.042 324 V CA -0.338 61.947 62.300 -0.026 0.000 0.877 324 V CB 1.736 33.543 31.823 -0.025 0.000 0.996 324 V HN 0.871 nan 8.190 nan 0.000 0.425 325 I N 4.264 124.839 120.570 0.008 0.000 2.439 325 I HA 0.454 4.624 4.170 0.000 0.000 0.285 325 I C -0.030 176.150 176.117 0.104 0.000 1.021 325 I CA -0.418 60.897 61.300 0.025 0.000 1.091 325 I CB 1.759 39.801 38.000 0.071 0.000 1.242 325 I HN 0.513 nan 8.210 nan 0.000 0.439 326 N N 4.165 122.869 118.700 0.006 0.000 2.431 326 N HA 0.216 4.956 4.740 0.000 0.000 0.289 326 N C 1.026 176.389 175.510 -0.244 0.000 1.277 326 N CA -0.363 52.688 53.050 0.001 0.000 0.972 326 N CB 0.716 39.180 38.487 -0.037 0.000 1.143 326 N HN 0.499 nan 8.380 nan 0.000 0.578 327 K N -0.093 120.142 120.400 -0.275 0.000 2.283 327 K HA -0.119 4.202 4.320 0.000 0.000 0.202 327 K C -0.539 175.786 176.600 -0.458 0.000 1.048 327 K CA 1.492 57.429 56.287 -0.584 0.000 0.948 327 K CB 0.088 32.479 32.500 -0.182 0.000 0.742 327 K HN 0.536 nan 8.250 nan 0.000 0.458 328 D N -1.734 118.510 120.400 -0.260 0.000 2.602 328 D HA 0.080 4.720 4.640 0.000 0.000 0.265 328 D C -0.814 175.407 176.300 -0.130 0.000 1.454 328 D CA -0.351 53.550 54.000 -0.165 0.000 0.795 328 D CB 0.941 41.686 40.800 -0.093 0.000 1.140 328 D HN -0.193 nan 8.370 nan 0.000 0.486 329 T N 0.015 114.471 114.554 -0.163 0.000 2.971 329 T HA 0.569 4.919 4.350 0.000 0.000 0.304 329 T C -0.898 173.645 174.700 -0.261 0.000 1.038 329 T CA -0.445 61.542 62.100 -0.188 0.000 1.007 329 T CB 2.211 71.007 68.868 -0.121 0.000 1.055 329 T HN -0.173 nan 8.240 nan 0.000 0.451 330 T N 2.953 117.213 114.554 -0.491 0.000 2.797 330 T HA 0.614 4.964 4.350 0.000 0.000 0.279 330 T C -0.397 173.973 174.700 -0.549 0.000 0.991 330 T CA -0.534 61.239 62.100 -0.546 0.000 0.979 330 T CB 1.202 69.626 68.868 -0.740 0.000 0.943 330 T HN 0.535 nan 8.240 nan 0.000 0.444 331 T N 3.829 118.220 114.554 -0.272 0.000 2.833 331 T HA 0.482 4.832 4.350 0.000 0.000 0.297 331 T C 0.028 174.679 174.700 -0.082 0.000 1.015 331 T CA -0.471 61.531 62.100 -0.164 0.000 0.963 331 T CB 0.395 69.199 68.868 -0.106 0.000 0.955 331 T HN 0.428 nan 8.240 nan 0.000 0.449 332 I N 4.228 124.783 120.570 -0.025 0.000 2.312 332 I HA 0.374 4.544 4.170 0.000 0.000 0.291 332 I C -0.221 175.900 176.117 0.007 0.000 1.031 332 I CA -0.426 60.885 61.300 0.017 0.000 1.293 332 I CB 0.641 38.690 38.000 0.082 0.000 1.403 332 I HN 0.493 nan 8.210 nan 0.000 0.484 333 I N 6.271 126.837 120.570 -0.008 0.000 2.362 333 I HA 0.252 4.422 4.170 0.000 0.000 0.289 333 I C -0.159 175.950 176.117 -0.014 0.000 0.994 333 I CA -0.325 60.968 61.300 -0.013 0.000 1.158 333 I CB 1.150 39.137 38.000 -0.022 0.000 1.315 333 I HN 0.567 nan 8.210 nan 0.000 0.451 334 D N 4.925 125.319 120.400 -0.010 0.000 2.737 334 D HA -0.114 4.526 4.640 0.000 0.000 0.243 334 D C 0.365 176.657 176.300 -0.013 0.000 1.109 334 D CA 0.862 54.855 54.000 -0.013 0.000 0.702 334 D CB -0.493 40.295 40.800 -0.019 0.000 1.068 334 D HN 0.826 nan 8.370 nan 0.000 0.432 335 G N -0.161 108.637 108.800 -0.003 0.000 2.414 335 G HA2 0.237 4.197 3.960 0.000 0.000 0.236 335 G HA3 0.237 4.197 3.960 0.000 0.000 0.236 335 G C 1.480 176.379 174.900 -0.002 0.000 1.293 335 G CA -0.057 45.043 45.100 0.001 0.000 0.869 335 G HN 0.281 nan 8.290 nan 0.000 0.556 336 V N 2.963 122.876 119.914 -0.002 0.000 2.667 336 V HA 0.010 4.130 4.120 0.000 0.000 0.252 336 V C 2.297 178.394 176.094 0.006 0.000 1.065 336 V CA 1.340 63.639 62.300 -0.001 0.000 1.083 336 V CB -0.928 30.895 31.823 0.001 0.000 0.692 336 V HN 0.934 nan 8.190 nan 0.000 0.468 337 G N 1.314 110.120 108.800 0.010 0.000 2.257 337 G HA2 -0.056 3.904 3.960 0.000 0.000 0.235 337 G HA3 -0.056 3.904 3.960 0.000 0.000 0.235 337 G C 0.022 174.926 174.900 0.006 0.000 1.225 337 G CA -0.205 44.901 45.100 0.010 0.000 0.878 337 G HN 0.408 nan 8.290 nan 0.000 0.505 338 E N 1.407 121.611 120.200 0.006 0.000 2.442 338 E HA -0.067 4.284 4.350 0.000 0.000 0.262 338 E C 1.206 177.807 176.600 0.002 0.000 1.004 338 E CA -0.021 56.382 56.400 0.004 0.000 0.928 338 E CB 1.104 30.806 29.700 0.004 0.000 0.937 338 E HN 0.813 nan 8.360 nan 0.000 0.446 339 E N 2.460 122.660 120.200 0.001 0.000 2.118 339 E HA -0.250 4.100 4.350 0.000 0.000 0.195 339 E C 1.704 178.303 176.600 -0.001 0.000 0.992 339 E CA 1.296 57.695 56.400 -0.000 0.000 0.804 339 E CB 0.099 29.799 29.700 -0.001 0.000 0.741 339 E HN 0.589 nan 8.360 nan 0.000 0.458 340 A N 1.077 123.896 122.820 -0.001 0.000 1.902 340 A HA -0.132 4.189 4.320 0.000 0.000 0.217 340 A C 2.346 179.929 177.584 -0.002 0.000 1.181 340 A CA 1.907 53.943 52.037 -0.001 0.000 0.623 340 A CB -0.646 18.354 19.000 -0.001 0.000 0.818 340 A HN 0.393 nan 8.150 nan 0.000 0.443 341 A N -0.444 122.375 122.820 -0.001 0.000 1.968 341 A HA 0.058 4.378 4.320 0.000 0.000 0.217 341 A C 2.085 179.668 177.584 -0.003 0.000 1.169 341 A CA 1.308 53.344 52.037 -0.002 0.000 0.638 341 A CB -0.491 18.509 19.000 0.000 0.000 0.812 341 A HN 0.500 nan 8.150 nan 0.000 0.446 342 I N -0.923 119.645 120.570 -0.002 0.000 2.193 342 I HA -0.259 3.911 4.170 0.000 0.000 0.240 342 I C 2.749 178.863 176.117 -0.005 0.000 1.084 342 I CA 1.326 62.624 61.300 -0.003 0.000 1.365 342 I CB -0.525 37.474 38.000 -0.001 0.000 1.064 342 I HN 0.350 nan 8.210 nan 0.000 0.410 343 Q N 0.764 120.561 119.800 -0.004 0.000 2.096 343 Q HA -0.178 4.162 4.340 0.000 0.000 0.204 343 Q C 2.347 178.343 176.000 -0.006 0.000 0.982 343 Q CA 1.782 57.582 55.803 -0.005 0.000 0.850 343 Q CB -0.482 28.253 28.738 -0.004 0.000 0.901 343 Q HN 0.662 nan 8.270 nan 0.000 0.422 344 G N 0.860 109.656 108.800 -0.006 0.000 2.446 344 G HA2 -0.333 3.627 3.960 0.000 0.000 0.217 344 G HA3 -0.333 3.627 3.960 0.000 0.000 0.217 344 G C 1.381 176.276 174.900 -0.008 0.000 1.168 344 G CA 1.028 46.124 45.100 -0.006 0.000 0.771 344 G HN 0.245 nan 8.290 nan 0.000 0.551 345 R N -0.249 120.245 120.500 -0.009 0.000 2.090 345 R HA 0.051 4.391 4.340 0.000 0.000 0.228 345 R C 2.579 178.871 176.300 -0.014 0.000 1.110 345 R CA 1.051 57.143 56.100 -0.012 0.000 0.973 345 R CB -0.353 29.940 30.300 -0.013 0.000 0.869 345 R HN 0.209 nan 8.270 nan 0.000 0.440 346 V N 1.207 121.114 119.914 -0.012 0.000 2.332 346 V HA -0.255 3.865 4.120 0.000 0.000 0.248 346 V C 2.452 178.538 176.094 -0.013 0.000 1.055 346 V CA 1.971 64.264 62.300 -0.012 0.000 1.038 346 V CB -0.770 31.047 31.823 -0.010 0.000 0.651 346 V HN 0.575 nan 8.190 nan 0.000 0.450 347 A N -1.210 121.603 122.820 -0.011 0.000 1.902 347 A HA -0.310 4.011 4.320 0.000 0.000 0.217 347 A C 2.206 179.782 177.584 -0.012 0.000 1.181 347 A CA 2.086 54.116 52.037 -0.011 0.000 0.623 347 A CB -0.544 18.451 19.000 -0.009 0.000 0.818 347 A HN 0.592 nan 8.150 nan 0.000 0.443 348 Q N -0.654 119.138 119.800 -0.013 0.000 2.045 348 Q HA -0.190 4.150 4.340 0.000 0.000 0.206 348 Q C 2.060 178.049 176.000 -0.018 0.000 0.991 348 Q CA 1.946 57.740 55.803 -0.015 0.000 0.851 348 Q CB -0.315 28.414 28.738 -0.016 0.000 0.911 348 Q HN 0.778 nan 8.270 nan 0.000 0.418 349 I N -0.299 120.259 120.570 -0.021 0.000 2.315 349 I HA -0.261 3.909 4.170 0.000 0.000 0.248 349 I C 2.400 178.502 176.117 -0.024 0.000 1.117 349 I CA 0.949 62.233 61.300 -0.026 0.000 1.404 349 I CB -0.191 37.791 38.000 -0.030 0.000 1.071 349 I HN 0.089 nan 8.210 nan 0.000 0.419 350 R N 0.382 120.870 120.500 -0.020 0.000 2.096 350 R HA -0.233 4.107 4.340 0.000 0.000 0.235 350 R C 2.325 178.615 176.300 -0.016 0.000 1.127 350 R CA 1.458 57.547 56.100 -0.018 0.000 0.968 350 R CB -0.210 30.082 30.300 -0.014 0.000 0.861 350 R HN 0.298 nan 8.270 nan 0.000 0.440 351 Q N 0.735 120.526 119.800 -0.015 0.000 2.050 351 Q HA -0.201 4.139 4.340 0.000 0.000 0.202 351 Q C 1.779 177.770 176.000 -0.015 0.000 0.980 351 Q CA 1.824 57.619 55.803 -0.013 0.000 0.840 351 Q CB 0.012 28.742 28.738 -0.012 0.000 0.898 351 Q HN 0.355 nan 8.270 nan 0.000 0.424 352 Q N -0.369 119.420 119.800 -0.018 0.000 2.226 352 Q HA -0.091 4.249 4.340 0.000 0.000 0.204 352 Q C 2.041 178.027 176.000 -0.023 0.000 0.975 352 Q CA 1.354 57.145 55.803 -0.021 0.000 0.866 352 Q CB -0.082 28.641 28.738 -0.026 0.000 0.915 352 Q HN 0.489 nan 8.270 nan 0.000 0.440 353 I N 0.634 121.190 120.570 -0.024 0.000 2.315 353 I HA -0.257 3.913 4.170 0.000 0.000 0.248 353 I C 1.877 177.984 176.117 -0.018 0.000 1.117 353 I CA 1.192 62.477 61.300 -0.025 0.000 1.404 353 I CB -0.135 37.849 38.000 -0.026 0.000 1.071 353 I HN 0.221 nan 8.210 nan 0.000 0.419 354 E N 0.696 120.887 120.200 -0.014 0.000 2.072 354 E HA -0.226 4.124 4.350 0.000 0.000 0.191 354 E C 1.984 178.579 176.600 -0.009 0.000 0.985 354 E CA 1.141 57.535 56.400 -0.010 0.000 0.801 354 E CB -0.069 29.626 29.700 -0.009 0.000 0.750 354 E HN 0.505 nan 8.360 nan 0.000 0.452 355 E N 0.737 120.931 120.200 -0.010 0.000 2.274 355 E HA 0.028 4.378 4.350 0.000 0.000 0.194 355 E C 0.396 176.992 176.600 -0.006 0.000 0.996 355 E CA 0.038 56.434 56.400 -0.008 0.000 0.840 355 E CB 0.109 29.804 29.700 -0.008 0.000 0.772 355 E HN 0.128 nan 8.360 nan 0.000 0.491 356 A N 1.469 124.283 122.820 -0.009 0.000 2.567 356 A HA 0.007 4.327 4.320 0.000 0.000 0.240 356 A C 0.987 178.571 177.584 0.001 0.000 1.053 356 A CA 0.655 52.688 52.037 -0.007 0.000 0.755 356 A CB -0.022 18.968 19.000 -0.016 0.000 0.978 356 A HN 0.223 nan 8.150 nan 0.000 0.507 357 T N -0.804 113.754 114.554 0.008 0.000 3.215 357 T HA 0.468 4.818 4.350 0.000 0.000 0.271 357 T C 0.156 174.870 174.700 0.023 0.000 1.012 357 T CA 0.306 62.414 62.100 0.013 0.000 0.899 357 T CB -0.301 68.573 68.868 0.011 0.000 1.089 357 T HN 0.983 nan 8.240 nan 0.000 0.552 358 S N -0.140 115.578 115.700 0.030 0.000 2.572 358 S HA 0.356 4.827 4.470 0.000 0.000 0.274 358 S C -0.071 174.561 174.600 0.054 0.000 1.150 358 S CA -0.602 57.630 58.200 0.054 0.000 0.944 358 S CB 1.509 64.760 63.200 0.084 0.000 1.071 358 S HN 0.076 nan 8.310 nan 0.000 0.479 359 D N 2.461 122.899 120.400 0.063 0.000 2.123 359 D HA -0.113 4.527 4.640 0.000 0.000 0.196 359 D C 1.344 177.683 176.300 0.066 0.000 0.992 359 D CA 1.612 55.644 54.000 0.053 0.000 0.833 359 D CB -0.271 40.562 40.800 0.056 0.000 0.954 359 D HN 0.745 nan 8.370 nan 0.000 0.455 360 Y N 2.058 122.357 120.300 -0.001 0.000 2.114 360 Y HA -0.218 4.332 4.550 0.000 0.000 0.284 360 Y C 1.801 177.695 175.900 -0.010 0.000 1.143 360 Y CA 1.775 59.874 58.100 -0.002 0.000 1.135 360 Y CB -0.180 38.281 38.460 0.002 0.000 0.980 360 Y HN -0.180 nan 8.280 nan 0.000 0.499 361 D N -0.060 120.341 120.400 0.001 0.000 2.123 361 D HA -0.198 4.442 4.640 0.000 0.000 0.196 361 D C 2.274 178.492 176.300 -0.137 0.000 0.992 361 D CA 1.374 55.320 54.000 -0.091 0.000 0.833 361 D CB -0.389 40.424 40.800 0.022 0.000 0.954 361 D HN 0.360 nan 8.370 nan 0.000 0.455 362 R N 0.708 121.158 120.500 -0.083 0.000 2.092 362 R HA -0.114 4.227 4.340 0.000 0.000 0.231 362 R C 1.928 178.166 176.300 -0.104 0.000 1.119 362 R CA 1.138 57.194 56.100 -0.073 0.000 0.970 362 R CB 0.066 30.344 30.300 -0.036 0.000 0.864 362 R HN 0.194 nan 8.270 nan 0.000 0.440 363 E N -0.082 120.034 120.200 -0.140 0.000 2.072 363 E HA -0.152 4.198 4.350 0.000 0.000 0.191 363 E C 1.978 178.462 176.600 -0.195 0.000 0.985 363 E CA 0.997 57.309 56.400 -0.146 0.000 0.801 363 E CB 0.188 29.809 29.700 -0.132 0.000 0.750 363 E HN 0.095 nan 8.360 nan 0.000 0.452 364 K N 0.505 120.710 120.400 -0.326 0.000 2.097 364 K HA -0.110 4.210 4.320 0.000 0.000 0.206 364 K C 2.183 178.680 176.600 -0.172 0.000 1.049 364 K CA 0.837 56.946 56.287 -0.297 0.000 0.933 364 K CB -0.343 31.895 32.500 -0.437 0.000 0.717 364 K HN 0.196 nan 8.250 nan 0.000 0.442 365 L N 0.888 122.022 121.223 -0.148 0.000 2.027 365 L HA -0.201 4.139 4.340 0.000 0.000 0.206 365 L C 2.634 179.460 176.870 -0.073 0.000 1.074 365 L CA 1.287 56.070 54.840 -0.095 0.000 0.745 365 L CB -0.410 41.602 42.059 -0.078 0.000 0.898 365 L HN 0.217 nan 8.230 nan 0.000 0.433 366 Q N -0.411 119.345 119.800 -0.073 0.000 2.135 366 Q HA -0.289 4.051 4.340 0.000 0.000 0.204 366 Q C 2.141 178.115 176.000 -0.045 0.000 0.981 366 Q CA 1.802 57.575 55.803 -0.051 0.000 0.856 366 Q CB -0.074 28.635 28.738 -0.047 0.000 0.902 366 Q HN 0.462 nan 8.270 nan 0.000 0.425 367 E N 0.377 120.543 120.200 -0.057 0.000 2.072 367 E HA -0.180 4.170 4.350 0.000 0.000 0.191 367 E C 1.966 178.548 176.600 -0.031 0.000 0.985 367 E CA 0.673 57.049 56.400 -0.041 0.000 0.801 367 E CB 0.197 29.867 29.700 -0.050 0.000 0.750 367 E HN 0.232 nan 8.360 nan 0.000 0.452 368 R N 0.112 120.586 120.500 -0.043 0.000 2.070 368 R HA -0.140 4.200 4.340 0.000 0.000 0.233 368 R C 2.588 178.874 176.300 -0.024 0.000 1.137 368 R CA 1.704 57.783 56.100 -0.035 0.000 0.945 368 R CB -0.626 29.644 30.300 -0.050 0.000 0.845 368 R HN 0.224 nan 8.270 nan 0.000 0.430 369 V N -0.610 119.288 119.914 -0.027 0.000 2.392 369 V HA -0.196 3.924 4.120 0.000 0.000 0.249 369 V C 2.473 178.559 176.094 -0.012 0.000 1.059 369 V CA 1.812 64.101 62.300 -0.019 0.000 1.051 369 V CB -1.283 30.528 31.823 -0.020 0.000 0.658 369 V HN 0.285 nan 8.190 nan 0.000 0.455 370 A N 0.624 123.437 122.820 -0.012 0.000 1.908 370 A HA -0.252 4.068 4.320 0.000 0.000 0.218 370 A C 2.345 179.929 177.584 0.001 0.000 1.181 370 A CA 2.439 54.472 52.037 -0.006 0.000 0.627 370 A CB -0.572 18.424 19.000 -0.007 0.000 0.818 370 A HN 0.616 nan 8.150 nan 0.000 0.445 371 K N -1.230 119.174 120.400 0.006 0.000 2.025 371 K HA -0.026 4.294 4.320 0.000 0.000 0.207 371 K C 1.890 178.499 176.600 0.016 0.000 1.049 371 K CA 1.215 57.514 56.287 0.019 0.000 0.933 371 K CB -0.266 32.254 32.500 0.033 0.000 0.714 371 K HN 0.334 nan 8.250 nan 0.000 0.438 372 L N 0.494 121.722 121.223 0.008 0.000 2.072 372 L HA 0.002 4.342 4.340 0.000 0.000 0.205 372 L C 2.025 178.896 176.870 0.002 0.000 1.079 372 L CA 1.658 56.501 54.840 0.005 0.000 0.752 372 L CB -0.630 41.427 42.059 -0.003 0.000 0.906 372 L HN 0.128 nan 8.230 nan 0.000 0.436 373 A N -1.383 121.436 122.820 -0.001 0.000 2.021 373 A HA 0.161 4.481 4.320 0.000 0.000 0.216 373 A C 2.242 179.825 177.584 -0.001 0.000 1.163 373 A CA 0.891 52.927 52.037 -0.002 0.000 0.676 373 A CB -1.015 17.982 19.000 -0.005 0.000 0.818 373 A HN 0.446 nan 8.150 nan 0.000 0.453 374 G N -0.582 108.219 108.800 0.000 0.000 2.403 374 G HA2 0.331 4.291 3.960 0.000 0.000 0.216 374 G HA3 0.331 4.291 3.960 0.000 0.000 0.216 374 G C 1.237 176.138 174.900 0.000 0.000 1.154 374 G CA 0.785 45.885 45.100 0.000 0.000 0.784 374 G HN 1.592 nan 8.290 nan 0.000 0.538 375 G N -1.487 107.315 108.800 0.004 0.000 2.601 375 G HA2 -0.054 3.906 3.960 0.000 0.000 0.252 375 G HA3 -0.054 3.906 3.960 0.000 0.000 0.252 375 G C -0.525 174.375 174.900 0.000 0.000 1.294 375 G CA -0.031 45.071 45.100 0.003 0.000 0.912 375 G HN 1.126 nan 8.290 nan 0.000 0.574 376 V N 0.275 120.186 119.914 -0.004 0.000 2.668 376 V HA 0.697 4.818 4.120 0.000 0.000 0.304 376 V C 0.644 176.730 176.094 -0.013 0.000 1.071 376 V CA -0.083 62.211 62.300 -0.010 0.000 0.894 376 V CB 1.396 33.212 31.823 -0.011 0.000 1.008 376 V HN 2.100 nan 8.190 nan 0.000 0.425 377 A N 4.624 127.434 122.820 -0.017 0.000 2.409 377 A HA 0.687 5.007 4.320 0.000 0.000 0.267 377 A C -0.374 177.197 177.584 -0.022 0.000 1.127 377 A CA -0.199 51.828 52.037 -0.018 0.000 0.795 377 A CB 0.462 19.450 19.000 -0.019 0.000 1.061 377 A HN 0.813 nan 8.150 nan 0.000 0.502 378 V N 4.787 124.689 119.914 -0.020 0.000 2.357 378 V HA 0.296 4.416 4.120 0.000 0.000 0.284 378 V C -0.129 175.953 176.094 -0.020 0.000 1.018 378 V CA -0.163 62.124 62.300 -0.021 0.000 0.841 378 V CB 1.121 32.933 31.823 -0.019 0.000 0.991 378 V HN 0.724 nan 8.190 nan 0.000 0.437 379 I N 4.990 125.546 120.570 -0.023 0.000 2.291 379 I HA 0.332 4.503 4.170 0.000 0.000 0.290 379 I C 0.256 176.362 176.117 -0.018 0.000 1.050 379 I CA -0.344 60.944 61.300 -0.020 0.000 1.245 379 I CB 0.799 38.785 38.000 -0.023 0.000 1.405 379 I HN 0.516 nan 8.210 nan 0.000 0.478 380 K N 5.698 126.089 120.400 -0.015 0.000 2.267 380 K HA 0.407 4.727 4.320 0.000 0.000 0.282 380 K C -0.713 175.880 176.600 -0.012 0.000 1.078 380 K CA -0.436 55.843 56.287 -0.013 0.000 0.903 380 K CB 1.409 33.902 32.500 -0.012 0.000 1.111 380 K HN 0.325 nan 8.250 nan 0.000 0.475 381 V N 2.766 122.674 119.914 -0.011 0.000 2.432 381 V HA 0.377 4.497 4.120 0.000 0.000 0.275 381 V C 0.740 176.829 176.094 -0.008 0.000 1.043 381 V CA -0.644 61.650 62.300 -0.010 0.000 0.925 381 V CB 1.341 33.159 31.823 -0.009 0.000 0.985 381 V HN 0.899 nan 8.190 nan 0.000 0.466 382 G N 2.731 111.527 108.800 -0.007 0.000 2.454 382 G HA2 0.876 4.836 3.960 0.000 0.000 0.329 382 G HA3 0.876 4.836 3.960 0.000 0.000 0.329 382 G C -0.687 174.210 174.900 -0.005 0.000 1.177 382 G CA -0.039 45.057 45.100 -0.006 0.000 0.951 382 G HN 1.208 nan 8.290 nan 0.000 0.485 383 A N -0.935 121.882 122.820 -0.005 0.000 2.564 383 A HA 0.783 5.103 4.320 0.000 0.000 0.291 383 A C 0.821 178.403 177.584 -0.004 0.000 1.102 383 A CA 0.436 52.471 52.037 -0.004 0.000 0.660 383 A CB 0.474 19.472 19.000 -0.004 0.000 1.283 383 A HN 1.845 nan 8.150 nan 0.000 0.430 384 A N -0.428 122.390 122.820 -0.004 0.000 1.929 384 A HA 0.385 4.705 4.320 0.000 0.000 0.216 384 A C 1.341 178.924 177.584 -0.003 0.000 1.176 384 A CA 2.444 54.479 52.037 -0.003 0.000 0.628 384 A CB -0.720 18.278 19.000 -0.003 0.000 0.816 384 A HN 2.042 nan 8.150 nan 0.000 0.444 385 T N -4.654 109.899 114.554 -0.003 0.000 2.910 385 T HA 0.497 4.847 4.350 0.000 0.000 0.287 385 T C 0.531 175.230 174.700 -0.002 0.000 1.050 385 T CA -0.000 62.098 62.100 -0.002 0.000 1.011 385 T CB 1.861 70.728 68.868 -0.002 0.000 1.195 385 T HN 0.221 nan 8.240 nan 0.000 0.540 386 E N -0.296 119.903 120.200 -0.001 0.000 2.107 386 E HA -0.106 4.244 4.350 0.000 0.000 0.191 386 E C 2.127 178.727 176.600 -0.001 0.000 0.982 386 E CA 1.345 57.745 56.400 -0.001 0.000 0.809 386 E CB -0.129 29.571 29.700 -0.000 0.000 0.756 386 E HN 0.595 nan 8.360 nan 0.000 0.459 387 V N -1.153 118.761 119.914 -0.001 0.000 2.427 387 V HA -0.173 3.947 4.120 0.000 0.000 0.248 387 V C 1.773 177.866 176.094 -0.001 0.000 1.051 387 V CA 1.793 64.093 62.300 -0.001 0.000 1.048 387 V CB -0.626 31.197 31.823 -0.001 0.000 0.666 387 V HN 0.125 nan 8.190 nan 0.000 0.456 388 E N -0.112 120.086 120.200 -0.002 0.000 2.106 388 E HA -0.135 4.216 4.350 0.000 0.000 0.192 388 E C 2.191 178.789 176.600 -0.003 0.000 0.984 388 E CA 1.528 57.926 56.400 -0.003 0.000 0.806 388 E CB -0.268 29.430 29.700 -0.003 0.000 0.750 388 E HN 0.504 nan 8.360 nan 0.000 0.458 389 M N 0.967 120.565 119.600 -0.003 0.000 2.117 389 M HA -0.156 4.324 4.480 0.000 0.000 0.262 389 M C 1.557 177.856 176.300 -0.002 0.000 1.065 389 M CA 1.522 56.821 55.300 -0.003 0.000 1.114 389 M CB -0.086 32.512 32.600 -0.003 0.000 1.361 389 M HN -0.099 nan 8.290 nan 0.000 0.408 390 K N 0.012 120.411 120.400 -0.001 0.000 2.148 390 K HA -0.127 4.193 4.320 0.000 0.000 0.204 390 K C 1.917 178.518 176.600 0.001 0.000 1.050 390 K CA 0.866 57.153 56.287 0.000 0.000 0.942 390 K CB -0.479 32.022 32.500 0.002 0.000 0.724 390 K HN 0.418 nan 8.250 nan 0.000 0.446 391 E N 1.800 122.000 120.200 0.000 0.000 2.015 391 E HA -0.167 4.183 4.350 0.000 0.000 0.191 391 E C 1.969 178.569 176.600 0.000 0.000 0.991 391 E CA 1.218 57.618 56.400 0.000 0.000 0.802 391 E CB 0.044 29.743 29.700 -0.001 0.000 0.759 391 E HN 0.145 nan 8.360 nan 0.000 0.447 392 K N 0.866 121.265 120.400 -0.001 0.000 2.103 392 K HA -0.196 4.124 4.320 0.000 0.000 0.207 392 K C 2.332 178.930 176.600 -0.002 0.000 1.048 392 K CA 1.565 57.851 56.287 -0.002 0.000 0.930 392 K CB -0.095 32.402 32.500 -0.004 0.000 0.716 392 K HN -0.053 nan 8.250 nan 0.000 0.444 393 K N 0.074 120.472 120.400 -0.002 0.000 2.009 393 K HA -0.169 4.151 4.320 0.000 0.000 0.210 393 K C 1.978 178.579 176.600 0.002 0.000 1.049 393 K CA 1.455 57.740 56.287 -0.003 0.000 0.929 393 K CB -0.216 32.282 32.500 -0.003 0.000 0.714 393 K HN 0.220 nan 8.250 nan 0.000 0.440 394 A N 1.267 124.091 122.820 0.006 0.000 1.933 394 A HA -0.151 4.169 4.320 0.000 0.000 0.218 394 A C 2.068 179.663 177.584 0.017 0.000 1.175 394 A CA 1.342 53.388 52.037 0.014 0.000 0.628 394 A CB -0.411 18.596 19.000 0.013 0.000 0.814 394 A HN 0.321 nan 8.150 nan 0.000 0.444 395 R N -0.873 119.633 120.500 0.010 0.000 2.148 395 R HA -0.014 4.326 4.340 0.000 0.000 0.223 395 R C 1.967 178.272 176.300 0.008 0.000 1.088 395 R CA 1.160 57.266 56.100 0.010 0.000 0.985 395 R CB -0.278 30.024 30.300 0.004 0.000 0.880 395 R HN 0.426 nan 8.270 nan 0.000 0.451 396 V N 0.848 120.763 119.914 0.001 0.000 2.283 396 V HA -0.207 3.914 4.120 0.000 0.000 0.243 396 V C 1.924 178.010 176.094 -0.013 0.000 1.039 396 V CA 1.675 63.971 62.300 -0.008 0.000 1.016 396 V CB -0.380 31.434 31.823 -0.014 0.000 0.650 396 V HN 0.305 nan 8.190 nan 0.000 0.449 397 E N -0.036 120.158 120.200 -0.010 0.000 2.086 397 E HA -0.328 4.022 4.350 0.000 0.000 0.200 397 E C 1.962 178.587 176.600 0.041 0.000 1.012 397 E CA 2.068 58.459 56.400 -0.015 0.000 0.812 397 E CB -0.211 29.502 29.700 0.022 0.000 0.743 397 E HN 0.603 nan 8.360 nan 0.000 0.453 398 D N -0.544 119.904 120.400 0.080 0.000 2.092 398 D HA -0.135 4.505 4.640 0.000 0.000 0.193 398 D C 1.805 178.162 176.300 0.094 0.000 0.994 398 D CA 1.621 55.689 54.000 0.114 0.000 0.828 398 D CB -0.123 40.713 40.800 0.060 0.000 0.963 398 D HN 0.212 nan 8.370 nan 0.000 0.450 399 A N 0.328 123.174 122.820 0.043 0.000 1.969 399 A HA -0.094 4.226 4.320 0.000 0.000 0.218 399 A C 2.101 179.695 177.584 0.018 0.000 1.169 399 A CA 0.648 52.702 52.037 0.028 0.000 0.635 399 A CB -0.596 18.411 19.000 0.011 0.000 0.810 399 A HN 0.316 nan 8.150 nan 0.000 0.445 400 L N -0.601 120.614 121.223 -0.015 0.000 2.046 400 L HA -0.176 4.164 4.340 0.000 0.000 0.208 400 L C 2.381 179.217 176.870 -0.057 0.000 1.077 400 L CA 2.108 56.910 54.840 -0.063 0.000 0.747 400 L CB -1.230 40.750 42.059 -0.131 0.000 0.896 400 L HN 0.497 nan 8.230 nan 0.000 0.432 401 H N -0.261 118.807 119.070 -0.003 0.000 2.290 401 H HA -0.100 4.456 4.556 0.000 0.000 0.298 401 H C 2.097 177.426 175.328 0.001 0.000 1.087 401 H CA 1.624 57.671 56.048 -0.002 0.000 1.291 401 H CB -0.118 29.642 29.762 -0.002 0.000 1.369 401 H HN 0.404 nan 8.280 nan 0.000 0.492 402 A N 0.221 123.123 122.820 0.137 0.000 1.972 402 A HA -0.134 4.186 4.320 0.000 0.000 0.219 402 A C 2.572 180.185 177.584 0.048 0.000 1.169 402 A CA 1.942 54.023 52.037 0.074 0.000 0.635 402 A CB -0.648 18.383 19.000 0.052 0.000 0.810 402 A HN 0.415 nan 8.150 nan 0.000 0.446 403 T N -0.582 113.994 114.554 0.036 0.000 2.896 403 T HA -0.061 4.289 4.350 0.000 0.000 0.263 403 T C 2.055 176.767 174.700 0.020 0.000 1.050 403 T CA 1.036 63.148 62.100 0.019 0.000 1.140 403 T CB -0.175 68.696 68.868 0.006 0.000 0.877 403 T HN 0.458 nan 8.240 nan 0.000 0.457 404 R N 1.200 121.714 120.500 0.023 0.000 2.073 404 R HA 0.021 4.361 4.340 0.000 0.000 0.234 404 R C 2.802 179.121 176.300 0.033 0.000 1.134 404 R CA 1.411 57.526 56.100 0.024 0.000 0.952 404 R CB -0.590 29.726 30.300 0.027 0.000 0.850 404 R HN 0.378 nan 8.270 nan 0.000 0.433 405 A N 1.168 124.015 122.820 0.045 0.000 1.930 405 A HA -0.055 4.266 4.320 0.000 0.000 0.217 405 A C 2.345 179.947 177.584 0.031 0.000 1.175 405 A CA 1.582 53.644 52.037 0.042 0.000 0.627 405 A CB -0.412 18.617 19.000 0.048 0.000 0.815 405 A HN 0.389 nan 8.150 nan 0.000 0.443 406 A N -0.762 122.074 122.820 0.028 0.000 1.930 406 A HA 0.067 4.387 4.320 0.000 0.000 0.217 406 A C 2.159 179.754 177.584 0.018 0.000 1.175 406 A CA 1.566 53.616 52.037 0.021 0.000 0.627 406 A CB -0.704 18.307 19.000 0.019 0.000 0.815 406 A HN 0.343 nan 8.150 nan 0.000 0.443 407 V N -0.007 119.918 119.914 0.017 0.000 2.548 407 V HA -0.209 3.911 4.120 0.000 0.000 0.249 407 V C 2.336 178.439 176.094 0.015 0.000 1.055 407 V CA 2.177 64.485 62.300 0.014 0.000 1.065 407 V CB -0.587 31.242 31.823 0.011 0.000 0.681 407 V HN 0.642 nan 8.190 nan 0.000 0.462 408 E N -0.419 119.792 120.200 0.018 0.000 2.076 408 E HA -0.104 4.247 4.350 0.000 0.000 0.190 408 E C 1.657 178.268 176.600 0.018 0.000 0.979 408 E CA 1.102 57.513 56.400 0.019 0.000 0.807 408 E CB 0.114 29.828 29.700 0.024 0.000 0.761 408 E HN 0.621 nan 8.360 nan 0.000 0.454 409 E N -0.882 119.330 120.200 0.019 0.000 2.676 409 E HA 0.206 4.556 4.350 0.000 0.000 0.225 409 E C 0.242 176.852 176.600 0.017 0.000 0.944 409 E CA 0.144 56.554 56.400 0.018 0.000 1.156 409 E CB 1.722 31.434 29.700 0.020 0.000 1.117 409 E HN 0.213 nan 8.360 nan 0.000 0.523 410 G N 1.402 110.212 108.800 0.017 0.000 2.698 410 G HA2 -0.221 3.739 3.960 0.000 0.000 0.225 410 G HA3 -0.221 3.739 3.960 0.000 0.000 0.225 410 G C -0.308 174.603 174.900 0.017 0.000 1.345 410 G CA -0.441 44.668 45.100 0.016 0.000 0.871 410 G HN 0.445 nan 8.290 nan 0.000 0.540 411 V N -2.405 117.519 119.914 0.016 0.000 2.769 411 V HA 0.959 5.079 4.120 0.000 0.000 0.312 411 V C 0.649 176.754 176.094 0.018 0.000 1.061 411 V CA -0.019 62.291 62.300 0.017 0.000 0.931 411 V CB 1.213 33.045 31.823 0.014 0.000 1.010 411 V HN 2.288 nan 8.190 nan 0.000 0.433 412 V N 0.063 119.988 119.914 0.019 0.000 3.141 412 V HA 0.995 5.115 4.120 0.000 0.000 0.312 412 V C 0.559 176.666 176.094 0.021 0.000 1.157 412 V CA -0.763 61.550 62.300 0.022 0.000 1.041 412 V CB 1.304 33.141 31.823 0.024 0.000 1.071 412 V HN 1.839 nan 8.190 nan 0.000 0.441 413 A N 1.038 123.873 122.820 0.026 0.000 2.548 413 A HA 0.586 4.906 4.320 0.000 0.000 0.247 413 A C 0.922 178.518 177.584 0.020 0.000 1.067 413 A CA 0.693 52.744 52.037 0.024 0.000 0.757 413 A CB -0.665 18.356 19.000 0.036 0.000 0.996 413 A HN 1.880 nan 8.150 nan 0.000 0.504 414 G N 0.912 109.717 108.800 0.010 0.000 2.489 414 G HA2 0.510 4.470 3.960 0.000 0.000 0.271 414 G HA3 0.510 4.470 3.960 0.000 0.000 0.271 414 G C 1.186 176.094 174.900 0.013 0.000 1.427 414 G CA -0.012 45.093 45.100 0.008 0.000 1.057 414 G HN 2.267 nan 8.290 nan 0.000 0.532 415 G N -2.065 106.741 108.800 0.011 0.000 2.203 415 G HA2 0.204 4.164 3.960 0.000 0.000 0.263 415 G HA3 0.204 4.164 3.960 0.000 0.000 0.263 415 G C 1.459 176.384 174.900 0.042 0.000 1.012 415 G CA 1.143 46.257 45.100 0.024 0.000 0.749 415 G HN 2.467 nan 8.290 nan 0.000 0.512 416 G N -2.194 106.627 108.800 0.034 0.000 2.225 416 G HA2 -0.068 3.892 3.960 0.000 0.000 0.267 416 G HA3 -0.068 3.892 3.960 0.000 0.000 0.267 416 G C 1.646 176.574 174.900 0.046 0.000 1.024 416 G CA 1.827 46.949 45.100 0.037 0.000 0.784 416 G HN 2.263 nan 8.290 nan 0.000 0.507 417 V N -3.182 116.763 119.914 0.051 0.000 3.052 417 V HA 0.520 4.640 4.120 0.000 0.000 0.254 417 V C 2.599 178.729 176.094 0.060 0.000 1.100 417 V CA 1.578 63.917 62.300 0.065 0.000 1.112 417 V CB -0.172 31.699 31.823 0.080 0.000 0.738 417 V HN 1.211 nan 8.190 nan 0.000 0.469 418 A N 0.921 123.769 122.820 0.047 0.000 1.877 418 A HA -0.056 4.265 4.320 0.000 0.000 0.216 418 A C 2.196 179.803 177.584 0.039 0.000 1.186 418 A CA 2.204 54.267 52.037 0.043 0.000 0.620 418 A CB -0.734 18.287 19.000 0.034 0.000 0.822 418 A HN 0.573 nan 8.150 nan 0.000 0.443 419 L N -1.004 120.240 121.223 0.035 0.000 2.083 419 L HA -0.147 4.194 4.340 0.000 0.000 0.209 419 L C 2.479 179.369 176.870 0.032 0.000 1.083 419 L CA 1.300 56.158 54.840 0.031 0.000 0.752 419 L CB -0.262 41.815 42.059 0.029 0.000 0.899 419 L HN 0.445 nan 8.230 nan 0.000 0.433 420 I N -0.840 119.753 120.570 0.039 0.000 2.500 420 I HA -0.247 3.923 4.170 0.000 0.000 0.252 420 I C 2.715 178.858 176.117 0.044 0.000 1.142 420 I CA 0.615 61.939 61.300 0.041 0.000 1.451 420 I CB 0.071 38.099 38.000 0.048 0.000 1.093 420 I HN 0.178 nan 8.210 nan 0.000 0.430 421 R N 0.353 120.884 120.500 0.051 0.000 2.062 421 R HA -0.120 4.220 4.340 0.000 0.000 0.231 421 R C 2.086 178.408 176.300 0.036 0.000 1.136 421 R CA 1.925 58.056 56.100 0.052 0.000 0.948 421 R CB -0.978 29.359 30.300 0.063 0.000 0.845 421 R HN 0.154 nan 8.270 nan 0.000 0.430 422 V N 1.049 120.982 119.914 0.032 0.000 2.392 422 V HA -0.260 3.860 4.120 0.000 0.000 0.249 422 V C 2.297 178.403 176.094 0.020 0.000 1.059 422 V CA 2.032 64.346 62.300 0.024 0.000 1.051 422 V CB -0.811 31.025 31.823 0.022 0.000 0.658 422 V HN 0.599 nan 8.190 nan 0.000 0.455 423 A N 0.394 123.227 122.820 0.021 0.000 1.858 423 A HA -0.216 4.104 4.320 0.000 0.000 0.216 423 A C 2.522 180.116 177.584 0.016 0.000 1.190 423 A CA 2.303 54.350 52.037 0.017 0.000 0.617 423 A CB -0.967 18.044 19.000 0.018 0.000 0.827 423 A HN 0.723 nan 8.150 nan 0.000 0.443 424 S N -0.307 115.405 115.700 0.020 0.000 2.465 424 S HA -0.135 4.335 4.470 0.000 0.000 0.241 424 S C 1.518 176.125 174.600 0.012 0.000 1.000 424 S CA 1.607 59.817 58.200 0.016 0.000 0.964 424 S CB -0.327 62.886 63.200 0.022 0.000 0.763 424 S HN 0.598 nan 8.310 nan 0.000 0.512 425 K N 0.270 120.677 120.400 0.013 0.000 2.393 425 K HA 0.342 4.662 4.320 0.000 0.000 0.193 425 K C 0.685 177.289 176.600 0.007 0.000 1.026 425 K CA 0.234 56.526 56.287 0.009 0.000 1.064 425 K CB 0.035 32.542 32.500 0.011 0.000 0.833 425 K HN 0.389 nan 8.250 nan 0.000 0.521 426 L N 0.158 121.385 121.223 0.007 0.000 2.928 426 L HA 0.258 4.599 4.340 0.000 0.000 0.246 426 L C 1.544 178.416 176.870 0.004 0.000 1.239 426 L CA -0.290 54.553 54.840 0.006 0.000 1.035 426 L CB 0.307 42.370 42.059 0.006 0.000 1.360 426 L HN 0.072 nan 8.230 nan 0.000 0.529 427 A N -0.022 122.800 122.820 0.004 0.000 1.908 427 A HA -0.181 4.139 4.320 0.000 0.000 0.218 427 A C 1.444 179.029 177.584 0.002 0.000 1.181 427 A CA 1.586 53.625 52.037 0.003 0.000 0.627 427 A CB -0.157 18.844 19.000 0.002 0.000 0.818 427 A HN 0.372 nan 8.150 nan 0.000 0.445 428 D N -0.616 119.784 120.400 0.001 0.000 2.460 428 D HA 0.230 4.870 4.640 0.000 0.000 0.229 428 D C -0.291 176.009 176.300 0.001 0.000 1.170 428 D CA -0.143 53.857 54.000 0.000 0.000 0.827 428 D CB 0.087 40.887 40.800 -0.000 0.000 0.973 428 D HN 0.338 nan 8.370 nan 0.000 0.496 429 L N 1.260 122.483 121.223 0.001 0.000 2.305 429 L HA 0.280 4.620 4.340 0.000 0.000 0.281 429 L C -0.078 176.793 176.870 0.001 0.000 1.085 429 L CA -0.035 54.805 54.840 0.001 0.000 0.813 429 L CB 0.558 42.618 42.059 0.002 0.000 1.157 429 L HN -0.242 nan 8.230 nan 0.000 0.436 430 R N 3.114 123.614 120.500 0.001 0.000 2.939 430 R HA 0.785 5.125 4.340 0.000 0.000 0.254 430 R C -0.244 176.056 176.300 0.001 0.000 1.123 430 R CA -0.443 55.658 56.100 0.001 0.000 1.020 430 R CB 1.428 31.729 30.300 0.001 0.000 1.206 430 R HN 0.843 nan 8.270 nan 0.000 0.491 431 G N -0.633 108.168 108.800 0.001 0.000 3.251 431 G HA2 0.153 4.113 3.960 0.000 0.000 0.248 431 G HA3 0.153 4.113 3.960 0.000 0.000 0.248 431 G C 0.146 175.046 174.900 0.001 0.000 1.320 431 G CA -0.195 44.905 45.100 0.001 0.000 0.982 431 G HN 0.284 nan 8.290 nan 0.000 0.575 432 Q N -0.352 119.448 119.800 0.001 0.000 2.079 432 Q HA -0.030 4.310 4.340 0.000 0.000 0.200 432 Q C 0.509 176.510 176.000 0.001 0.000 0.974 432 Q CA 1.513 57.317 55.803 0.001 0.000 0.840 432 Q CB -0.114 28.625 28.738 0.001 0.000 0.898 432 Q HN 0.678 nan 8.270 nan 0.000 0.430 433 N N -1.824 116.877 118.700 0.001 0.000 3.102 433 N HA 0.102 4.842 4.740 0.000 0.000 0.299 433 N C 0.201 175.711 175.510 0.001 0.000 1.482 433 N CA -0.575 52.476 53.050 0.001 0.000 0.785 433 N CB 0.332 38.820 38.487 0.001 0.000 1.680 433 N HN -0.365 nan 8.380 nan 0.000 0.594 434 E N -0.464 119.737 120.200 0.001 0.000 2.268 434 E HA -0.084 4.266 4.350 0.000 0.000 0.195 434 E C 0.135 176.736 176.600 0.002 0.000 0.995 434 E CA 0.881 57.282 56.400 0.001 0.000 0.836 434 E CB -0.228 29.473 29.700 0.001 0.000 0.763 434 E HN 0.528 nan 8.360 nan 0.000 0.491 435 D N 0.336 120.737 120.400 0.002 0.000 2.149 435 D HA -0.092 4.548 4.640 0.000 0.000 0.201 435 D C 1.929 178.231 176.300 0.003 0.000 0.972 435 D CA 0.682 54.684 54.000 0.003 0.000 0.835 435 D CB -0.103 40.699 40.800 0.003 0.000 0.966 435 D HN 0.247 nan 8.370 nan 0.000 0.476 436 Q N 0.297 120.098 119.800 0.003 0.000 2.084 436 Q HA -0.112 4.228 4.340 0.000 0.000 0.202 436 Q C 1.741 177.742 176.000 0.002 0.000 0.978 436 Q CA 0.804 56.609 55.803 0.003 0.000 0.844 436 Q CB -0.092 28.647 28.738 0.002 0.000 0.898 436 Q HN 0.246 nan 8.270 nan 0.000 0.426 437 N N 0.284 118.985 118.700 0.002 0.000 2.104 437 N HA -0.135 4.605 4.740 0.000 0.000 0.190 437 N C 1.875 177.387 175.510 0.002 0.000 1.024 437 N CA 1.075 54.126 53.050 0.002 0.000 0.853 437 N CB -0.453 38.035 38.487 0.002 0.000 1.008 437 N HN 0.049 nan 8.380 nan 0.000 0.424 438 V N 0.837 120.753 119.914 0.003 0.000 2.343 438 V HA -0.151 3.969 4.120 0.000 0.000 0.247 438 V C 2.464 178.561 176.094 0.004 0.000 1.051 438 V CA 1.994 64.296 62.300 0.003 0.000 1.036 438 V CB -1.319 30.506 31.823 0.003 0.000 0.654 438 V HN 0.350 nan 8.190 nan 0.000 0.451 439 G N 0.075 108.877 108.800 0.004 0.000 2.476 439 G HA2 -0.281 3.679 3.960 0.000 0.000 0.218 439 G HA3 -0.281 3.679 3.960 0.000 0.000 0.218 439 G C 1.587 176.490 174.900 0.004 0.000 1.164 439 G CA 1.351 46.453 45.100 0.004 0.000 0.768 439 G HN 0.484 nan 8.290 nan 0.000 0.560 440 I N 0.424 120.996 120.570 0.003 0.000 2.127 440 I HA -0.166 4.004 4.170 0.000 0.000 0.241 440 I C 2.741 178.861 176.117 0.004 0.000 1.075 440 I CA 1.266 62.568 61.300 0.003 0.000 1.334 440 I CB -0.070 37.932 38.000 0.003 0.000 1.040 440 I HN -0.008 nan 8.210 nan 0.000 0.405 441 K N 0.321 120.724 120.400 0.004 0.000 2.147 441 K HA -0.087 4.233 4.320 0.000 0.000 0.205 441 K C 2.120 178.723 176.600 0.005 0.000 1.049 441 K CA 1.033 57.323 56.287 0.005 0.000 0.936 441 K CB -0.605 31.898 32.500 0.004 0.000 0.722 441 K HN 0.236 nan 8.250 nan 0.000 0.446 442 V N 1.491 121.408 119.914 0.006 0.000 2.343 442 V HA -0.232 3.888 4.120 0.000 0.000 0.247 442 V C 2.452 178.551 176.094 0.008 0.000 1.051 442 V CA 1.941 64.245 62.300 0.007 0.000 1.036 442 V CB -0.663 31.164 31.823 0.007 0.000 0.654 442 V HN 0.290 nan 8.190 nan 0.000 0.451 443 A N -0.181 122.644 122.820 0.007 0.000 1.873 443 A HA -0.105 4.216 4.320 0.000 0.000 0.215 443 A C 2.136 179.725 177.584 0.009 0.000 1.186 443 A CA 1.581 53.623 52.037 0.008 0.000 0.616 443 A CB -0.509 18.495 19.000 0.006 0.000 0.823 443 A HN 0.504 nan 8.150 nan 0.000 0.442 444 L N -1.445 119.783 121.223 0.008 0.000 2.275 444 L HA -0.106 4.235 4.340 0.000 0.000 0.215 444 L C 2.732 179.609 176.870 0.010 0.000 1.119 444 L CA 1.092 55.937 54.840 0.009 0.000 0.790 444 L CB -0.423 41.641 42.059 0.008 0.000 0.919 444 L HN 0.319 nan 8.230 nan 0.000 0.443 445 R N 0.023 120.529 120.500 0.009 0.000 2.093 445 R HA 0.007 4.347 4.340 0.000 0.000 0.224 445 R C 2.508 178.814 176.300 0.010 0.000 1.101 445 R CA 1.077 57.182 56.100 0.009 0.000 0.979 445 R CB -0.302 30.002 30.300 0.007 0.000 0.877 445 R HN 0.299 nan 8.270 nan 0.000 0.441 446 A N 0.732 123.558 122.820 0.011 0.000 1.933 446 A HA -0.155 4.165 4.320 0.000 0.000 0.218 446 A C 2.017 179.610 177.584 0.015 0.000 1.175 446 A CA 1.264 53.309 52.037 0.013 0.000 0.628 446 A CB -0.401 18.607 19.000 0.013 0.000 0.814 446 A HN 0.210 nan 8.150 nan 0.000 0.444 447 M N -0.521 119.089 119.600 0.016 0.000 2.549 447 M HA -0.117 4.363 4.480 0.000 0.000 0.260 447 M C 1.487 177.800 176.300 0.020 0.000 1.076 447 M CA 1.034 56.345 55.300 0.018 0.000 1.090 447 M CB -0.318 32.293 32.600 0.018 0.000 1.418 447 M HN 0.474 nan 8.290 nan 0.000 0.486 448 E N 0.421 120.632 120.200 0.018 0.000 2.299 448 E HA -0.016 4.334 4.350 0.000 0.000 0.193 448 E C 2.149 178.758 176.600 0.016 0.000 0.998 448 E CA 0.609 57.020 56.400 0.018 0.000 0.851 448 E CB 0.027 29.735 29.700 0.014 0.000 0.795 448 E HN 0.501 nan 8.360 nan 0.000 0.492 449 A N 2.491 125.320 122.820 0.015 0.000 1.873 449 A HA -0.153 4.167 4.320 0.000 0.000 0.218 449 A C -0.274 177.319 177.584 0.015 0.000 1.193 449 A CA 1.393 53.438 52.037 0.013 0.000 0.629 449 A CB -1.530 17.478 19.000 0.013 0.000 0.826 449 A HN 0.130 nan 8.150 nan 0.000 0.447 450 P HA -0.174 nan 4.420 nan 0.000 0.215 450 P C 1.833 179.148 177.300 0.024 0.000 1.157 450 P CA 1.149 64.262 63.100 0.021 0.000 0.874 450 P CB -0.147 31.567 31.700 0.023 0.000 0.790 451 L N -0.663 120.577 121.223 0.028 0.000 1.989 451 L HA -0.205 4.135 4.340 0.000 0.000 0.211 451 L C 2.496 179.377 176.870 0.019 0.000 1.071 451 L CA 1.851 56.712 54.840 0.034 0.000 0.749 451 L CB -0.385 41.697 42.059 0.039 0.000 0.890 451 L HN -0.206 nan 8.230 nan 0.000 0.431 452 R N -0.819 119.686 120.500 0.008 0.000 2.091 452 R HA -0.243 4.097 4.340 0.000 0.000 0.238 452 R C 2.326 178.626 176.300 -0.000 0.000 1.136 452 R CA 1.727 57.824 56.100 -0.005 0.000 0.959 452 R CB -0.444 29.854 30.300 -0.004 0.000 0.856 452 R HN 0.423 nan 8.270 nan 0.000 0.437 453 Q N 1.246 121.051 119.800 0.008 0.000 2.002 453 Q HA -0.144 4.196 4.340 0.000 0.000 0.204 453 Q C 1.891 177.901 176.000 0.017 0.000 0.988 453 Q CA 1.765 57.575 55.803 0.010 0.000 0.843 453 Q CB -0.363 28.382 28.738 0.012 0.000 0.908 453 Q HN 0.332 nan 8.270 nan 0.000 0.420 454 I N -0.436 120.150 120.570 0.026 0.000 2.145 454 I HA -0.338 3.832 4.170 0.000 0.000 0.244 454 I C 2.125 178.275 176.117 0.056 0.000 1.075 454 I CA 1.381 62.706 61.300 0.041 0.000 1.332 454 I CB -0.434 37.599 38.000 0.056 0.000 1.033 454 I HN 0.095 nan 8.210 nan 0.000 0.410 455 V N 0.240 120.180 119.914 0.042 0.000 2.515 455 V HA -0.244 3.876 4.120 0.000 0.000 0.250 455 V C 2.274 178.373 176.094 0.009 0.000 1.058 455 V CA 1.389 63.699 62.300 0.017 0.000 1.064 455 V CB -0.488 31.277 31.823 -0.097 0.000 0.675 455 V HN 0.339 nan 8.190 nan 0.000 0.461 456 L N 0.962 122.188 121.223 0.005 0.000 2.027 456 L HA -0.097 4.243 4.340 0.000 0.000 0.206 456 L C 2.206 179.084 176.870 0.013 0.000 1.074 456 L CA 1.867 56.709 54.840 0.004 0.000 0.745 456 L CB -0.932 41.128 42.059 0.002 0.000 0.898 456 L HN 0.308 nan 8.230 nan 0.000 0.433 457 N N -1.021 117.689 118.700 0.017 0.000 2.272 457 N HA -0.191 4.549 4.740 0.000 0.000 0.185 457 N C 1.718 177.241 175.510 0.022 0.000 1.014 457 N CA 1.648 54.708 53.050 0.017 0.000 0.870 457 N CB -0.919 37.578 38.487 0.016 0.000 0.975 457 N HN 0.419 nan 8.380 nan 0.000 0.433 458 C N -0.605 118.717 119.300 0.037 0.000 2.522 458 C HA 0.287 4.748 4.460 0.000 0.000 0.271 458 C C 1.649 176.661 174.990 0.037 0.000 1.425 458 C CA 0.199 59.245 59.018 0.047 0.000 1.751 458 C CB -1.263 26.535 27.740 0.096 0.000 1.775 458 C HN 0.623 nan 8.230 nan 0.000 0.557 459 G N 1.233 110.048 108.800 0.025 0.000 2.160 459 G HA2 -0.171 3.789 3.960 0.000 0.000 0.244 459 G HA3 -0.171 3.789 3.960 0.000 0.000 0.244 459 G C -0.251 174.660 174.900 0.018 0.000 1.022 459 G CA 0.120 45.230 45.100 0.018 0.000 0.741 459 G HN 0.582 nan 8.290 nan 0.000 0.508 460 E N -0.132 120.077 120.200 0.015 0.000 2.243 460 E HA 0.380 4.730 4.350 0.000 0.000 0.260 460 E C -0.054 176.533 176.600 -0.022 0.000 0.985 460 E CA -0.840 55.561 56.400 0.001 0.000 0.858 460 E CB 1.053 30.750 29.700 -0.005 0.000 1.210 460 E HN 0.467 nan 8.360 nan 0.000 0.411 461 E N 1.867 122.049 120.200 -0.030 0.000 2.166 461 E HA 0.062 4.412 4.350 0.000 0.000 0.279 461 E C -1.707 174.857 176.600 -0.060 0.000 1.095 461 E CA -1.524 54.856 56.400 -0.033 0.000 0.888 461 E CB 0.680 30.368 29.700 -0.021 0.000 1.041 461 E HN 0.144 nan 8.360 nan 0.000 0.414 462 P HA -0.157 nan 4.420 nan 0.000 0.215 462 P C 1.010 178.279 177.300 -0.052 0.000 1.153 462 P CA 1.049 64.113 63.100 -0.059 0.000 0.853 462 P CB 0.343 32.024 31.700 -0.032 0.000 0.788 463 S N -0.807 114.873 115.700 -0.033 0.000 2.382 463 S HA -0.092 4.378 4.470 0.000 0.000 0.228 463 S C 1.954 176.540 174.600 -0.024 0.000 1.027 463 S CA 1.173 59.359 58.200 -0.023 0.000 0.991 463 S CB -1.097 62.094 63.200 -0.015 0.000 0.823 463 S HN -0.026 nan 8.310 nan 0.000 0.469 464 V N 1.099 120.995 119.914 -0.030 0.000 2.323 464 V HA -0.083 4.037 4.120 0.000 0.000 0.244 464 V C 2.307 178.385 176.094 -0.027 0.000 1.041 464 V CA 1.197 63.483 62.300 -0.024 0.000 1.025 464 V CB -0.761 31.053 31.823 -0.015 0.000 0.656 464 V HN 0.320 nan 8.190 nan 0.000 0.451 465 V N 0.510 120.381 119.914 -0.073 0.000 2.261 465 V HA -0.252 3.869 4.120 0.000 0.000 0.246 465 V C 2.773 178.854 176.094 -0.022 0.000 1.047 465 V CA 2.144 64.379 62.300 -0.110 0.000 1.015 465 V CB -1.136 30.412 31.823 -0.458 0.000 0.642 465 V HN 0.544 nan 8.190 nan 0.000 0.446 466 A N 0.160 122.959 122.820 -0.035 0.000 1.908 466 A HA -0.303 4.017 4.320 0.000 0.000 0.218 466 A C 2.047 179.647 177.584 0.026 0.000 1.181 466 A CA 2.395 54.437 52.037 0.008 0.000 0.627 466 A CB -0.912 18.087 19.000 -0.002 0.000 0.818 466 A HN 0.611 nan 8.150 nan 0.000 0.445 467 N N -0.584 118.121 118.700 0.008 0.000 2.104 467 N HA -0.124 4.616 4.740 0.000 0.000 0.190 467 N C 1.662 177.177 175.510 0.008 0.000 1.024 467 N CA 2.230 55.283 53.050 0.004 0.000 0.853 467 N CB -0.316 38.166 38.487 -0.009 0.000 1.008 467 N HN 0.450 nan 8.380 nan 0.000 0.424 468 T N -0.716 113.842 114.554 0.008 0.000 2.857 468 T HA -0.039 4.311 4.350 0.000 0.000 0.266 468 T C 1.983 176.751 174.700 0.113 0.000 1.048 468 T CA 1.001 63.093 62.100 -0.013 0.000 1.139 468 T CB -0.335 68.434 68.868 -0.165 0.000 0.874 468 T HN -0.001 nan 8.240 nan 0.000 0.455 469 V N 1.791 121.812 119.914 0.178 0.000 2.295 469 V HA -0.199 3.921 4.120 0.000 0.000 0.246 469 V C 2.482 178.685 176.094 0.181 0.000 1.049 469 V CA 1.560 64.016 62.300 0.259 0.000 1.024 469 V CB -0.532 31.410 31.823 0.199 0.000 0.648 469 V HN 0.465 nan 8.190 nan 0.000 0.447 470 K N 0.385 120.842 120.400 0.095 0.000 2.160 470 K HA -0.150 4.170 4.320 0.000 0.000 0.206 470 K C 1.965 178.579 176.600 0.023 0.000 1.047 470 K CA 1.493 57.812 56.287 0.053 0.000 0.930 470 K CB -0.573 31.944 32.500 0.029 0.000 0.720 470 K HN 0.582 nan 8.250 nan 0.000 0.450 471 G N 0.680 109.482 108.800 0.004 0.000 2.956 471 G HA2 0.040 4.000 3.960 0.000 0.000 0.207 471 G HA3 0.040 4.000 3.960 0.000 0.000 0.207 471 G C 0.462 175.278 174.900 -0.140 0.000 1.162 471 G CA 0.272 45.338 45.100 -0.057 0.000 0.796 471 G HN 0.318 nan 8.290 nan 0.000 0.527 472 G N -1.060 107.671 108.800 -0.116 0.000 2.753 472 G HA2 0.553 4.513 3.960 0.000 0.000 0.285 472 G HA3 0.553 4.513 3.960 0.000 0.000 0.285 472 G C -1.508 173.333 174.900 -0.099 0.000 1.344 472 G CA -0.516 44.403 45.100 -0.301 0.000 1.050 472 G HN 0.036 nan 8.290 nan 0.000 0.532 473 D N -1.497 118.864 120.400 -0.064 0.000 2.671 473 D HA 0.509 5.150 4.640 0.000 0.000 0.232 473 D C 0.982 177.330 176.300 0.079 0.000 1.114 473 D CA 0.699 54.703 54.000 0.006 0.000 0.858 473 D CB 2.048 42.830 40.800 -0.030 0.000 1.544 473 D HN 0.799 nan 8.370 nan 0.000 0.471 474 G N 3.047 111.885 108.800 0.063 0.000 2.698 474 G HA2 -0.389 3.572 3.960 0.000 0.000 0.337 474 G HA3 -0.389 3.572 3.960 0.000 0.000 0.337 474 G C 0.490 175.447 174.900 0.095 0.000 1.196 474 G CA 0.779 45.920 45.100 0.069 0.000 0.965 474 G HN 0.605 nan 8.290 nan 0.000 0.550 475 N N -0.121 118.641 118.700 0.104 0.000 2.321 475 N HA 0.392 5.132 4.740 0.000 0.000 0.242 475 N C -0.068 175.524 175.510 0.137 0.000 1.141 475 N CA -0.169 52.940 53.050 0.100 0.000 0.864 475 N CB 0.426 38.951 38.487 0.063 0.000 1.100 475 N HN 0.539 nan 8.380 nan 0.000 0.510 476 Y N 0.980 121.311 120.300 0.052 0.000 2.411 476 Y HA 0.477 5.027 4.550 0.000 0.000 0.333 476 Y C 0.863 176.827 175.900 0.108 0.000 1.186 476 Y CA 0.519 58.664 58.100 0.076 0.000 1.381 476 Y CB 0.374 38.874 38.460 0.066 0.000 1.273 476 Y HN 0.105 nan 8.280 nan 0.000 0.546 477 G N 3.199 111.763 108.800 -0.393 0.000 2.427 477 G HA2 0.161 4.121 3.960 0.000 0.000 0.306 477 G HA3 0.161 4.121 3.960 0.000 0.000 0.306 477 G C -2.497 172.335 174.900 -0.113 0.000 1.280 477 G CA -0.984 44.032 45.100 -0.141 0.000 0.837 477 G HN 0.623 nan 8.290 nan 0.000 0.482 478 Y N 1.895 122.096 120.300 -0.165 0.000 2.402 478 Y HA 0.557 5.107 4.550 0.000 0.000 0.332 478 Y C 0.214 175.955 175.900 -0.265 0.000 0.960 478 Y CA -1.304 56.584 58.100 -0.354 0.000 1.228 478 Y CB 1.051 39.346 38.460 -0.274 0.000 1.120 478 Y HN 0.435 nan 8.280 nan 0.000 0.491 479 N N 5.018 123.348 118.700 -0.616 0.000 2.400 479 N HA 0.039 4.779 4.740 0.000 0.000 0.278 479 N C 0.765 175.804 175.510 -0.784 0.000 1.247 479 N CA 0.766 53.502 53.050 -0.522 0.000 0.970 479 N CB 0.991 39.257 38.487 -0.368 0.000 1.312 479 N HN 0.912 nan 8.380 nan 0.000 0.488 480 A N 4.124 126.583 122.820 -0.602 0.000 1.933 480 A HA -0.088 4.232 4.320 0.000 0.000 0.218 480 A C 2.128 179.524 177.584 -0.314 0.000 1.175 480 A CA 1.724 53.462 52.037 -0.498 0.000 0.628 480 A CB -0.643 18.292 19.000 -0.108 0.000 0.814 480 A HN 0.711 nan 8.150 nan 0.000 0.444 481 A N -0.411 122.268 122.820 -0.236 0.000 1.858 481 A HA -0.059 4.261 4.320 0.000 0.000 0.216 481 A C 2.119 179.602 177.584 -0.168 0.000 1.190 481 A CA 2.236 54.179 52.037 -0.157 0.000 0.617 481 A CB -1.051 17.878 19.000 -0.119 0.000 0.827 481 A HN 0.751 nan 8.150 nan 0.000 0.443 482 T N -2.972 111.454 114.554 -0.213 0.000 3.176 482 T HA 0.375 4.725 4.350 0.000 0.000 0.263 482 T C 0.128 174.685 174.700 -0.238 0.000 1.021 482 T CA 0.449 62.440 62.100 -0.181 0.000 0.905 482 T CB -0.072 68.712 68.868 -0.140 0.000 1.057 482 T HN 0.557 nan 8.240 nan 0.000 0.558 483 E N 0.647 120.617 120.200 -0.383 0.000 2.604 483 E HA -0.203 4.148 4.350 0.000 0.000 0.255 483 E C -0.431 175.918 176.600 -0.420 0.000 1.164 483 E CA 0.691 56.825 56.400 -0.444 0.000 0.737 483 E CB -1.092 28.532 29.700 -0.128 0.000 1.317 483 E HN 0.749 nan 8.360 nan 0.000 0.417 484 E N -0.468 119.454 120.200 -0.464 0.000 2.207 484 E HA 0.386 4.736 4.350 0.000 0.000 0.270 484 E C -0.856 175.507 176.600 -0.395 0.000 0.927 484 E CA -0.635 55.585 56.400 -0.300 0.000 0.799 484 E CB 1.023 30.630 29.700 -0.155 0.000 1.172 484 E HN 0.060 nan 8.360 nan 0.000 0.404 485 Y N 0.703 120.950 120.300 -0.088 0.000 2.326 485 Y HA 0.592 5.142 4.550 0.000 0.000 0.337 485 Y C 0.844 176.616 175.900 -0.213 0.000 1.023 485 Y CA -0.011 57.971 58.100 -0.197 0.000 1.143 485 Y CB 1.818 40.205 38.460 -0.123 0.000 1.183 485 Y HN 0.632 nan 8.280 nan 0.000 0.485 486 G N 1.852 110.531 108.800 -0.201 0.000 2.427 486 G HA2 0.013 3.973 3.960 0.000 0.000 0.306 486 G HA3 0.013 3.973 3.960 0.000 0.000 0.306 486 G C -1.758 173.099 174.900 -0.072 0.000 1.280 486 G CA -1.156 43.899 45.100 -0.075 0.000 0.837 486 G HN 0.456 nan 8.290 nan 0.000 0.482 487 N N 1.095 119.809 118.700 0.024 0.000 2.420 487 N HA 0.073 4.813 4.740 0.000 0.000 0.262 487 N C 1.568 177.078 175.510 -0.001 0.000 1.144 487 N CA -0.416 52.657 53.050 0.039 0.000 0.952 487 N CB 0.791 39.312 38.487 0.057 0.000 1.081 487 N HN 0.341 nan 8.380 nan 0.000 0.480 488 M N 3.639 123.236 119.600 -0.004 0.000 2.086 488 M HA -0.144 4.336 4.480 0.000 0.000 0.261 488 M C 1.746 178.039 176.300 -0.010 0.000 1.067 488 M CA 1.093 56.381 55.300 -0.020 0.000 1.116 488 M CB -0.586 32.008 32.600 -0.010 0.000 1.348 488 M HN 0.551 nan 8.290 nan 0.000 0.407 489 I N 0.484 121.057 120.570 0.005 0.000 2.179 489 I HA -0.256 3.914 4.170 0.000 0.000 0.242 489 I C 1.882 177.999 176.117 0.001 0.000 1.088 489 I CA 1.477 62.780 61.300 0.005 0.000 1.357 489 I CB -1.713 36.295 38.000 0.013 0.000 1.051 489 I HN 0.210 nan 8.210 nan 0.000 0.409 490 D N 0.992 121.394 120.400 0.004 0.000 2.123 490 D HA -0.167 4.473 4.640 0.000 0.000 0.196 490 D C 2.238 178.533 176.300 -0.009 0.000 0.992 490 D CA 1.297 55.298 54.000 0.001 0.000 0.833 490 D CB -0.236 40.569 40.800 0.008 0.000 0.954 490 D HN 0.329 nan 8.370 nan 0.000 0.455 491 M N -0.855 118.734 119.600 -0.018 0.000 2.659 491 M HA 0.125 4.605 4.480 0.000 0.000 0.243 491 M C 1.087 177.367 176.300 -0.034 0.000 1.111 491 M CA 0.710 55.991 55.300 -0.033 0.000 1.070 491 M CB 0.312 32.880 32.600 -0.053 0.000 1.525 491 M HN 0.108 nan 8.290 nan 0.000 0.517 492 G N 2.048 110.834 108.800 -0.024 0.000 2.147 492 G HA2 -0.247 3.714 3.960 0.000 0.000 0.244 492 G HA3 -0.247 3.714 3.960 0.000 0.000 0.244 492 G C -0.071 174.814 174.900 -0.025 0.000 1.005 492 G CA -0.238 44.849 45.100 -0.021 0.000 0.713 492 G HN 0.512 nan 8.290 nan 0.000 0.515 493 I N 0.978 121.530 120.570 -0.030 0.000 2.347 493 I HA 0.569 4.740 4.170 0.000 0.000 0.283 493 I C 0.149 176.256 176.117 -0.016 0.000 1.058 493 I CA -0.915 60.366 61.300 -0.032 0.000 1.202 493 I CB 0.668 38.636 38.000 -0.053 0.000 1.386 493 I HN 0.232 nan 8.210 nan 0.000 0.475 494 L N 2.782 124.001 121.223 -0.008 0.000 2.424 494 L HA 0.774 5.115 4.340 0.000 0.000 0.258 494 L C -1.240 175.634 176.870 0.005 0.000 0.995 494 L CA -0.715 54.126 54.840 0.002 0.000 0.821 494 L CB 1.621 43.683 42.059 0.004 0.000 1.383 494 L HN 0.066 nan 8.230 nan 0.000 0.410 495 D N 0.684 121.091 120.400 0.011 0.000 2.342 495 D HA 0.497 5.137 4.640 0.000 0.000 0.243 495 D C -2.684 173.626 176.300 0.017 0.000 1.019 495 D CA -1.274 52.734 54.000 0.014 0.000 0.864 495 D CB 2.264 43.074 40.800 0.017 0.000 1.315 495 D HN 0.388 nan 8.370 nan 0.000 0.468 496 P HA 0.052 nan 4.420 nan 0.000 0.268 496 P C 0.832 178.146 177.300 0.023 0.000 1.204 496 P CA 0.040 63.154 63.100 0.022 0.000 0.768 496 P CB 0.572 32.288 31.700 0.027 0.000 0.842 497 T N 2.114 116.682 114.554 0.022 0.000 2.737 497 T HA -0.217 4.133 4.350 0.000 0.000 0.269 497 T C 1.626 176.341 174.700 0.025 0.000 1.040 497 T CA 1.387 63.500 62.100 0.022 0.000 1.142 497 T CB -0.335 68.544 68.868 0.019 0.000 0.861 497 T HN 0.485 nan 8.240 nan 0.000 0.456 498 K N 0.822 121.239 120.400 0.028 0.000 2.074 498 K HA -0.141 4.180 4.320 0.000 0.000 0.209 498 K C 2.415 179.040 176.600 0.042 0.000 1.048 498 K CA 1.631 57.938 56.287 0.034 0.000 0.926 498 K CB -0.367 32.156 32.500 0.038 0.000 0.713 498 K HN 0.370 nan 8.250 nan 0.000 0.444 499 V N -1.078 118.859 119.914 0.037 0.000 2.453 499 V HA -0.147 3.973 4.120 0.000 0.000 0.247 499 V C 1.720 177.839 176.094 0.042 0.000 1.048 499 V CA 2.208 64.531 62.300 0.039 0.000 1.049 499 V CB -0.650 31.188 31.823 0.025 0.000 0.672 499 V HN 0.275 nan 8.190 nan 0.000 0.457 500 T N 0.456 115.030 114.554 0.034 0.000 2.737 500 T HA -0.113 4.237 4.350 0.000 0.000 0.265 500 T C 1.988 176.708 174.700 0.033 0.000 1.038 500 T CA 1.974 64.093 62.100 0.032 0.000 1.144 500 T CB -0.366 68.518 68.868 0.026 0.000 0.866 500 T HN 0.589 nan 8.240 nan 0.000 0.434 501 R N 0.955 121.471 120.500 0.028 0.000 2.073 501 R HA -0.088 4.252 4.340 0.000 0.000 0.234 501 R C 2.573 178.884 176.300 0.018 0.000 1.134 501 R CA 1.762 57.871 56.100 0.015 0.000 0.952 501 R CB -0.401 29.904 30.300 0.008 0.000 0.850 501 R HN 0.231 nan 8.270 nan 0.000 0.433 502 S N 0.533 116.266 115.700 0.054 0.000 2.356 502 S HA -0.134 4.336 4.470 0.000 0.000 0.223 502 S C 2.017 176.738 174.600 0.201 0.000 1.032 502 S CA 1.187 59.464 58.200 0.129 0.000 1.005 502 S CB -0.287 63.038 63.200 0.208 0.000 0.867 502 S HN 0.581 nan 8.310 nan 0.000 0.449 503 A N 1.338 124.239 122.820 0.135 0.000 1.883 503 A HA -0.113 4.207 4.320 0.000 0.000 0.217 503 A C 2.142 179.784 177.584 0.097 0.000 1.186 503 A CA 1.612 53.719 52.037 0.117 0.000 0.624 503 A CB -0.763 18.276 19.000 0.065 0.000 0.822 503 A HN 0.420 nan 8.150 nan 0.000 0.444 504 L N -0.402 120.855 121.223 0.056 0.000 2.027 504 L HA -0.159 4.181 4.340 0.000 0.000 0.206 504 L C 2.502 179.378 176.870 0.011 0.000 1.074 504 L CA 2.337 57.195 54.840 0.030 0.000 0.745 504 L CB -0.834 41.234 42.059 0.015 0.000 0.898 504 L HN 0.509 nan 8.230 nan 0.000 0.433 505 Q N -1.781 117.998 119.800 -0.035 0.000 2.050 505 Q HA -0.232 4.108 4.340 0.000 0.000 0.202 505 Q C 2.187 178.107 176.000 -0.133 0.000 0.980 505 Q CA 2.184 57.912 55.803 -0.125 0.000 0.840 505 Q CB -0.334 28.262 28.738 -0.235 0.000 0.898 505 Q HN 0.514 nan 8.270 nan 0.000 0.424 506 Y N 0.119 120.421 120.300 0.003 0.000 2.181 506 Y HA -0.214 4.337 4.550 0.000 0.000 0.288 506 Y C 2.385 178.286 175.900 0.003 0.000 1.146 506 Y CA 1.057 59.158 58.100 0.002 0.000 1.164 506 Y CB -0.723 37.737 38.460 -0.000 0.000 0.982 506 Y HN 0.147 nan 8.280 nan 0.000 0.515 507 A N 0.116 123.027 122.820 0.152 0.000 1.883 507 A HA -0.206 4.114 4.320 0.000 0.000 0.217 507 A C 2.471 180.090 177.584 0.058 0.000 1.186 507 A CA 2.219 54.307 52.037 0.087 0.000 0.624 507 A CB -1.332 17.705 19.000 0.062 0.000 0.822 507 A HN 0.414 nan 8.150 nan 0.000 0.444 508 A N -0.883 121.959 122.820 0.037 0.000 1.933 508 A HA -0.077 4.243 4.320 0.000 0.000 0.218 508 A C 2.466 180.061 177.584 0.018 0.000 1.175 508 A CA 2.163 54.211 52.037 0.018 0.000 0.628 508 A CB -0.976 18.024 19.000 -0.000 0.000 0.814 508 A HN 0.642 nan 8.150 nan 0.000 0.444 509 S N -0.732 114.980 115.700 0.021 0.000 2.351 509 S HA -0.165 4.305 4.470 0.000 0.000 0.220 509 S C 1.985 176.611 174.600 0.044 0.000 1.035 509 S CA 1.965 60.181 58.200 0.027 0.000 1.031 509 S CB -0.657 62.566 63.200 0.038 0.000 0.928 509 S HN 0.582 nan 8.310 nan 0.000 0.433 510 V N 1.609 121.562 119.914 0.064 0.000 2.427 510 V HA 0.056 4.176 4.120 0.000 0.000 0.248 510 V C 2.613 178.729 176.094 0.037 0.000 1.051 510 V CA 1.929 64.261 62.300 0.053 0.000 1.048 510 V CB -1.037 30.821 31.823 0.058 0.000 0.666 510 V HN 0.613 nan 8.190 nan 0.000 0.456 511 A N 0.060 122.901 122.820 0.035 0.000 1.902 511 A HA -0.018 4.303 4.320 0.000 0.000 0.217 511 A C 2.357 179.954 177.584 0.021 0.000 1.181 511 A CA 1.822 53.874 52.037 0.026 0.000 0.623 511 A CB -1.373 17.641 19.000 0.024 0.000 0.818 511 A HN 0.631 nan 8.150 nan 0.000 0.443 512 G N -0.167 108.645 108.800 0.020 0.000 2.418 512 G HA2 -0.164 3.796 3.960 0.000 0.000 0.217 512 G HA3 -0.164 3.796 3.960 0.000 0.000 0.217 512 G C 1.555 176.465 174.900 0.018 0.000 1.158 512 G CA 1.022 46.132 45.100 0.016 0.000 0.771 512 G HN 0.426 nan 8.290 nan 0.000 0.545 513 L N -0.344 120.892 121.223 0.021 0.000 2.046 513 L HA -0.043 4.297 4.340 0.000 0.000 0.208 513 L C 3.098 179.981 176.870 0.021 0.000 1.077 513 L CA 1.000 55.853 54.840 0.022 0.000 0.747 513 L CB -0.300 41.774 42.059 0.025 0.000 0.896 513 L HN 0.243 nan 8.230 nan 0.000 0.432 514 M N -0.649 118.964 119.600 0.022 0.000 2.099 514 M HA -0.198 4.282 4.480 0.000 0.000 0.262 514 M C 2.314 178.626 176.300 0.020 0.000 1.067 514 M CA 1.789 57.103 55.300 0.022 0.000 1.124 514 M CB -0.269 32.345 32.600 0.023 0.000 1.353 514 M HN 0.168 nan 8.290 nan 0.000 0.410 515 I N 0.064 120.645 120.570 0.018 0.000 2.335 515 I HA -0.255 3.915 4.170 0.000 0.000 0.251 515 I C 1.822 177.949 176.117 0.017 0.000 1.129 515 I CA 1.539 62.849 61.300 0.016 0.000 1.402 515 I CB -0.414 37.595 38.000 0.014 0.000 1.069 515 I HN 0.401 nan 8.210 nan 0.000 0.424 516 T N -3.262 111.303 114.554 0.018 0.000 3.244 516 T HA 0.151 4.501 4.350 0.000 0.000 0.254 516 T C 0.527 175.241 174.700 0.022 0.000 1.024 516 T CA -0.296 61.816 62.100 0.019 0.000 0.920 516 T CB -0.509 68.369 68.868 0.017 0.000 1.042 516 T HN -0.026 nan 8.240 nan 0.000 0.572 517 T N 2.296 116.863 114.554 0.023 0.000 2.806 517 T HA 0.320 4.670 4.350 0.000 0.000 0.290 517 T C 0.582 175.299 174.700 0.028 0.000 0.966 517 T CA -0.557 61.557 62.100 0.023 0.000 1.060 517 T CB 1.642 70.522 68.868 0.020 0.000 0.927 517 T HN 0.110 nan 8.240 nan 0.000 0.485 518 E N 0.448 120.671 120.200 0.037 0.000 2.485 518 E HA 0.179 4.529 4.350 0.000 0.000 0.213 518 E C 0.013 176.649 176.600 0.060 0.000 0.923 518 E CA 0.088 56.527 56.400 0.065 0.000 1.054 518 E CB 0.818 30.572 29.700 0.090 0.000 1.077 518 E HN 0.564 nan 8.360 nan 0.000 0.509 519 C N 0.599 119.893 119.300 -0.010 0.000 2.783 519 C HA 0.683 5.144 4.460 0.000 0.000 0.312 519 C C -1.349 173.572 174.990 -0.115 0.000 1.182 519 C CA -0.546 58.380 59.018 -0.153 0.000 1.432 519 C CB 0.624 28.280 27.740 -0.140 0.000 1.933 519 C HN 0.129 nan 8.230 nan 0.000 0.473 520 M N 4.870 124.382 119.600 -0.147 0.000 2.326 520 M HA 0.578 5.058 4.480 0.000 0.000 0.292 520 M C -1.230 175.111 176.300 0.068 0.000 1.081 520 M CA -0.549 54.768 55.300 0.028 0.000 0.919 520 M CB 2.144 34.868 32.600 0.207 0.000 1.634 520 M HN 0.358 nan 8.290 nan 0.000 0.451 521 V N 1.228 121.156 119.914 0.024 0.000 2.487 521 V HA 0.777 4.897 4.120 0.000 0.000 0.298 521 V C -0.305 175.738 176.094 -0.085 0.000 1.028 521 V CA -0.420 61.876 62.300 -0.007 0.000 0.860 521 V CB 1.830 33.637 31.823 -0.027 0.000 0.991 521 V HN 0.963 nan 8.190 nan 0.000 0.427 522 T N 2.232 116.688 114.554 -0.163 0.000 2.754 522 T HA 0.453 4.803 4.350 0.000 0.000 0.296 522 T C -1.194 173.397 174.700 -0.181 0.000 1.205 522 T CA -0.489 61.456 62.100 -0.258 0.000 1.009 522 T CB 1.933 70.480 68.868 -0.536 0.000 1.368 522 T HN 0.696 nan 8.240 nan 0.000 0.509 523 D N 1.064 121.367 120.400 -0.162 0.000 2.358 523 D HA 0.435 5.075 4.640 0.000 0.000 0.244 523 D C -0.248 175.996 176.300 -0.093 0.000 1.163 523 D CA -0.354 53.587 54.000 -0.098 0.000 0.945 523 D CB 0.363 41.117 40.800 -0.076 0.000 1.152 523 D HN 0.135 nan 8.370 nan 0.000 0.451 524 L N 1.987 123.185 121.223 -0.042 0.000 2.426 524 L HA 0.299 4.639 4.340 0.000 0.000 0.271 524 L C -1.592 175.265 176.870 -0.022 0.000 1.169 524 L CA -1.336 53.494 54.840 -0.017 0.000 0.836 524 L CB -0.660 41.401 42.059 0.003 0.000 1.112 524 L HN 0.407 nan 8.230 nan 0.000 0.465 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.096 63.100 -0.007 0.000 0.800 525 P CB 0.000 31.706 31.700 0.011 0.000 0.726