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 1pf9_1_B 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 0.000 177.575 177.584 -0.015 0.000 1.274 2 A CA 0.000 52.027 52.037 -0.017 0.000 0.836 2 A CB 0.000 18.985 19.000 -0.024 0.000 0.831 3 A N 2.100 124.914 122.820 -0.010 0.000 2.531 3 A HA 0.535 4.855 4.320 0.000 0.000 0.236 3 A C 0.209 177.786 177.584 -0.012 0.000 1.062 3 A CA 0.377 52.410 52.037 -0.005 0.000 0.760 3 A CB 0.004 19.004 19.000 0.001 0.000 0.995 3 A HN 0.624 nan 8.150 nan 0.000 0.501 4 K N 1.431 121.827 120.400 -0.007 0.000 2.208 4 K HA 0.399 4.719 4.320 0.000 0.000 0.247 4 K C -1.288 175.319 176.600 0.011 0.000 0.953 4 K CA -0.738 55.539 56.287 -0.015 0.000 0.837 4 K CB 1.644 34.133 32.500 -0.018 0.000 1.131 4 K HN 0.685 nan 8.250 nan 0.000 0.431 5 D N 1.885 122.294 120.400 0.016 0.000 2.329 5 D HA 0.218 4.858 4.640 0.000 0.000 0.232 5 D C -0.922 175.492 176.300 0.190 0.000 1.088 5 D CA -0.501 53.569 54.000 0.117 0.000 0.835 5 D CB 0.956 41.856 40.800 0.166 0.000 1.078 5 D HN 0.276 nan 8.370 nan 0.000 0.495 6 V N 1.316 121.293 119.914 0.105 0.000 2.435 6 V HA 0.654 4.774 4.120 0.000 0.000 0.290 6 V C -0.359 175.641 176.094 -0.157 0.000 1.030 6 V CA -0.589 61.691 62.300 -0.033 0.000 0.881 6 V CB 1.519 33.239 31.823 -0.173 0.000 0.983 6 V HN 0.327 nan 8.190 nan 0.000 0.445 7 K N 4.040 124.260 120.400 -0.300 0.000 2.371 7 K HA 0.702 5.022 4.320 0.000 0.000 0.251 7 K C -1.616 174.690 176.600 -0.490 0.000 0.934 7 K CA -0.456 55.584 56.287 -0.413 0.000 0.798 7 K CB 2.278 34.355 32.500 -0.705 0.000 1.204 7 K HN 0.721 nan 8.250 nan 0.000 0.427 8 F N 0.473 120.373 119.950 -0.083 0.000 2.507 8 F HA 0.424 4.951 4.527 0.000 0.000 0.327 8 F C 1.326 177.092 175.800 -0.056 0.000 1.068 8 F CA 0.209 58.180 58.000 -0.048 0.000 0.965 8 F CB 1.758 40.741 39.000 -0.029 0.000 1.192 8 F HN 0.823 nan 8.300 nan 0.000 0.476 9 G N 2.072 110.983 108.800 0.185 0.000 2.652 9 G HA2 -0.518 3.442 3.960 0.000 0.000 0.318 9 G HA3 -0.518 3.442 3.960 0.000 0.000 0.318 9 G C 0.976 175.897 174.900 0.034 0.000 1.295 9 G CA 1.182 46.336 45.100 0.091 0.000 0.999 9 G HN 0.901 nan 8.290 nan 0.000 0.548 10 N N 0.245 118.957 118.700 0.021 0.000 2.166 10 N HA -0.089 4.651 4.740 0.000 0.000 0.186 10 N C 1.763 177.259 175.510 -0.022 0.000 1.019 10 N CA 2.260 55.310 53.050 0.001 0.000 0.856 10 N CB -0.246 38.241 38.487 0.000 0.000 0.993 10 N HN 0.519 nan 8.380 nan 0.000 0.426 11 D N 0.045 120.426 120.400 -0.031 0.000 2.137 11 D HA -0.180 4.460 4.640 0.000 0.000 0.189 11 D C 1.871 178.093 176.300 -0.130 0.000 0.998 11 D CA 1.920 55.873 54.000 -0.078 0.000 0.839 11 D CB -0.819 39.931 40.800 -0.084 0.000 0.962 11 D HN 0.453 nan 8.370 nan 0.000 0.446 12 A N 0.492 123.225 122.820 -0.145 0.000 1.940 12 A HA -0.209 4.111 4.320 0.000 0.000 0.219 12 A C 2.202 179.733 177.584 -0.088 0.000 1.176 12 A CA 1.575 53.495 52.037 -0.195 0.000 0.631 12 A CB -0.420 18.485 19.000 -0.158 0.000 0.814 12 A HN 0.150 nan 8.150 nan 0.000 0.446 13 R N -0.873 119.602 120.500 -0.041 0.000 2.066 13 R HA -0.069 4.271 4.340 0.000 0.000 0.232 13 R C 2.115 178.407 176.300 -0.013 0.000 1.131 13 R CA 1.396 57.488 56.100 -0.013 0.000 0.955 13 R CB -0.677 29.622 30.300 -0.001 0.000 0.851 13 R HN 0.379 nan 8.270 nan 0.000 0.432 14 V N 2.011 121.911 119.914 -0.023 0.000 2.252 14 V HA -0.332 3.788 4.120 0.000 0.000 0.249 14 V C 2.315 178.402 176.094 -0.013 0.000 1.056 14 V CA 1.800 64.090 62.300 -0.018 0.000 1.022 14 V CB -0.410 31.398 31.823 -0.024 0.000 0.641 14 V HN 0.287 nan 8.190 nan 0.000 0.445 15 K N -0.578 119.804 120.400 -0.031 0.000 1.987 15 K HA -0.251 4.069 4.320 0.000 0.000 0.216 15 K C 2.148 178.771 176.600 0.038 0.000 1.051 15 K CA 2.135 58.423 56.287 0.002 0.000 0.942 15 K CB -0.921 31.564 32.500 -0.024 0.000 0.722 15 K HN 0.428 nan 8.250 nan 0.000 0.444 16 M N 0.655 120.280 119.600 0.041 0.000 2.128 16 M HA -0.257 4.223 4.480 0.000 0.000 0.253 16 M C 2.128 178.448 176.300 0.033 0.000 1.079 16 M CA 1.636 56.965 55.300 0.049 0.000 1.082 16 M CB -0.146 32.477 32.600 0.039 0.000 1.335 16 M HN 0.147 nan 8.290 nan 0.000 0.401 17 L N 0.085 121.321 121.223 0.021 0.000 2.109 17 L HA -0.107 4.233 4.340 0.000 0.000 0.207 17 L C 2.192 179.072 176.870 0.017 0.000 1.086 17 L CA 1.687 56.537 54.840 0.017 0.000 0.760 17 L CB -0.513 41.552 42.059 0.011 0.000 0.910 17 L HN 0.201 nan 8.230 nan 0.000 0.437 18 R N -0.376 120.135 120.500 0.018 0.000 2.105 18 R HA -0.092 4.249 4.340 0.000 0.000 0.239 18 R C 2.216 178.529 176.300 0.021 0.000 1.135 18 R CA 1.129 57.240 56.100 0.018 0.000 0.967 18 R CB -0.987 29.325 30.300 0.019 0.000 0.861 18 R HN 0.573 nan 8.270 nan 0.000 0.442 19 G N 0.757 109.575 108.800 0.029 0.000 2.453 19 G HA2 -0.238 3.722 3.960 0.000 0.000 0.215 19 G HA3 -0.238 3.722 3.960 0.000 0.000 0.215 19 G C 1.489 176.401 174.900 0.020 0.000 1.201 19 G CA 0.996 46.112 45.100 0.028 0.000 0.784 19 G HN 0.127 nan 8.290 nan 0.000 0.545 20 V N 1.592 121.518 119.914 0.020 0.000 2.252 20 V HA -0.321 3.799 4.120 0.000 0.000 0.249 20 V C 2.532 178.634 176.094 0.013 0.000 1.056 20 V CA 2.394 64.704 62.300 0.016 0.000 1.022 20 V CB -0.993 30.840 31.823 0.017 0.000 0.641 20 V HN 0.462 nan 8.190 nan 0.000 0.445 21 N N -0.103 118.605 118.700 0.013 0.000 2.069 21 N HA -0.162 4.578 4.740 0.000 0.000 0.191 21 N C 1.755 177.269 175.510 0.008 0.000 1.031 21 N CA 1.476 54.532 53.050 0.010 0.000 0.852 21 N CB -0.319 38.173 38.487 0.009 0.000 1.018 21 N HN 0.316 nan 8.380 nan 0.000 0.423 22 V N 1.812 121.731 119.914 0.009 0.000 2.252 22 V HA -0.221 3.899 4.120 0.000 0.000 0.249 22 V C 2.239 178.336 176.094 0.004 0.000 1.056 22 V CA 1.337 63.641 62.300 0.006 0.000 1.022 22 V CB -0.695 31.132 31.823 0.007 0.000 0.641 22 V HN 0.383 nan 8.190 nan 0.000 0.445 23 L N 1.002 122.228 121.223 0.005 0.000 1.955 23 L HA -0.151 4.189 4.340 0.000 0.000 0.213 23 L C 2.591 179.464 176.870 0.004 0.000 1.072 23 L CA 2.917 57.759 54.840 0.003 0.000 0.755 23 L CB -1.765 40.297 42.059 0.004 0.000 0.888 23 L HN 0.304 nan 8.230 nan 0.000 0.432 24 A N 0.121 122.945 122.820 0.006 0.000 1.896 24 A HA -0.313 4.007 4.320 0.000 0.000 0.220 24 A C 1.899 179.486 177.584 0.005 0.000 1.206 24 A CA 2.352 54.393 52.037 0.007 0.000 0.647 24 A CB -1.130 17.876 19.000 0.009 0.000 0.828 24 A HN 0.630 nan 8.150 nan 0.000 0.455 25 D N -0.007 120.396 120.400 0.005 0.000 2.116 25 D HA -0.102 4.538 4.640 0.000 0.000 0.193 25 D C 2.191 178.491 176.300 0.001 0.000 0.998 25 D CA 1.759 55.761 54.000 0.003 0.000 0.836 25 D CB -0.695 40.106 40.800 0.003 0.000 0.951 25 D HN 0.489 nan 8.370 nan 0.000 0.449 26 A N 0.483 123.303 122.820 -0.000 0.000 1.948 26 A HA -0.171 4.149 4.320 0.000 0.000 0.220 26 A C 2.469 180.052 177.584 -0.002 0.000 1.177 26 A CA 1.523 53.559 52.037 -0.003 0.000 0.636 26 A CB -0.683 18.315 19.000 -0.004 0.000 0.815 26 A HN 0.193 nan 8.150 nan 0.000 0.449 27 V N -0.212 119.702 119.914 -0.000 0.000 2.488 27 V HA -0.173 3.947 4.120 0.000 0.000 0.246 27 V C 2.328 178.423 176.094 0.002 0.000 1.046 27 V CA 1.896 64.196 62.300 0.000 0.000 1.053 27 V CB -0.550 31.274 31.823 0.001 0.000 0.679 27 V HN 0.504 nan 8.190 nan 0.000 0.458 28 K N 0.719 121.121 120.400 0.004 0.000 2.103 28 K HA -0.154 4.166 4.320 0.000 0.000 0.207 28 K C 2.086 178.688 176.600 0.004 0.000 1.048 28 K CA 1.758 58.048 56.287 0.005 0.000 0.930 28 K CB -0.557 31.946 32.500 0.006 0.000 0.716 28 K HN 0.567 nan 8.250 nan 0.000 0.444 29 V N -0.096 119.819 119.914 0.002 0.000 2.794 29 V HA -0.180 3.940 4.120 0.000 0.000 0.260 29 V C 1.897 177.993 176.094 0.002 0.000 1.103 29 V CA 2.109 64.410 62.300 0.002 0.000 1.125 29 V CB -1.481 30.342 31.823 -0.000 0.000 0.702 29 V HN 0.370 nan 8.190 nan 0.000 0.494 30 T N -2.555 112.000 114.554 0.002 0.000 3.163 30 T HA 0.385 4.735 4.350 0.000 0.000 0.252 30 T C 0.179 174.882 174.700 0.004 0.000 1.056 30 T CA -0.280 61.821 62.100 0.002 0.000 0.947 30 T CB -0.032 68.837 68.868 0.001 0.000 1.016 30 T HN 0.347 nan 8.240 nan 0.000 0.554 31 L N 2.410 123.637 121.223 0.007 0.000 2.290 31 L HA 0.670 5.010 4.340 0.000 0.000 0.284 31 L C 0.642 177.518 176.870 0.011 0.000 1.078 31 L CA 1.272 56.118 54.840 0.010 0.000 0.815 31 L CB 0.006 42.072 42.059 0.012 0.000 1.162 31 L HN 0.633 nan 8.230 nan 0.000 0.435 32 G N 4.741 113.547 108.800 0.010 0.000 2.757 32 G HA2 -0.160 3.800 3.960 0.000 0.000 0.638 32 G HA3 -0.160 3.800 3.960 0.000 0.000 0.638 32 G C -2.189 172.712 174.900 0.003 0.000 1.344 32 G CA -0.324 44.781 45.100 0.009 0.000 0.855 32 G HN 0.538 nan 8.290 nan 0.000 0.537 33 P HA -0.049 nan 4.420 nan 0.000 0.217 33 P C 1.049 178.344 177.300 -0.008 0.000 1.150 33 P CA 1.504 64.597 63.100 -0.011 0.000 0.832 33 P CB 0.031 31.716 31.700 -0.025 0.000 0.787 34 K N 0.436 120.834 120.400 -0.002 0.000 2.627 34 K HA 0.222 4.542 4.320 0.000 0.000 0.212 34 K C 1.181 177.783 176.600 0.004 0.000 1.041 34 K CA -0.350 55.938 56.287 0.001 0.000 1.205 34 K CB -0.148 32.356 32.500 0.006 0.000 0.936 34 K HN 0.097 nan 8.250 nan 0.000 0.489 35 G N 1.095 109.897 108.800 0.003 0.000 2.664 35 G HA2 0.081 4.041 3.960 0.000 0.000 0.242 35 G HA3 0.081 4.041 3.960 0.000 0.000 0.242 35 G C -0.149 174.751 174.900 0.001 0.000 1.225 35 G CA -0.335 44.767 45.100 0.003 0.000 0.849 35 G HN 0.248 nan 8.290 nan 0.000 0.581 36 R N -0.219 120.281 120.500 0.000 0.000 2.939 36 R HA 0.341 4.681 4.340 0.000 0.000 0.254 36 R C -0.591 175.708 176.300 -0.003 0.000 1.123 36 R CA -1.022 55.077 56.100 -0.002 0.000 1.020 36 R CB 1.320 31.619 30.300 -0.002 0.000 1.206 36 R HN 0.479 nan 8.270 nan 0.000 0.491 37 N N -0.098 118.599 118.700 -0.004 0.000 2.489 37 N HA 0.387 5.127 4.740 0.000 0.000 0.284 37 N C -0.890 174.615 175.510 -0.008 0.000 1.158 37 N CA -0.372 52.675 53.050 -0.006 0.000 0.965 37 N CB 1.825 40.308 38.487 -0.007 0.000 1.195 37 N HN 0.114 nan 8.380 nan 0.000 0.506 38 V N 0.791 120.699 119.914 -0.010 0.000 2.715 38 V HA 0.435 4.555 4.120 0.000 0.000 0.310 38 V C -0.074 176.010 176.094 -0.018 0.000 1.054 38 V CA -0.843 61.449 62.300 -0.013 0.000 0.928 38 V CB 2.126 33.941 31.823 -0.013 0.000 1.007 38 V HN 0.287 nan 8.190 nan 0.000 0.437 39 V N 5.122 125.022 119.914 -0.023 0.000 2.370 39 V HA 0.468 4.588 4.120 0.000 0.000 0.283 39 V C -0.347 175.722 176.094 -0.041 0.000 1.023 39 V CA -0.414 61.867 62.300 -0.031 0.000 0.857 39 V CB 1.258 33.062 31.823 -0.032 0.000 0.985 39 V HN 0.613 nan 8.190 nan 0.000 0.443 40 L N 3.830 125.021 121.223 -0.052 0.000 2.287 40 L HA 0.553 4.893 4.340 0.000 0.000 0.287 40 L C 0.121 176.924 176.870 -0.111 0.000 1.022 40 L CA -0.499 54.299 54.840 -0.070 0.000 0.814 40 L CB 1.323 43.346 42.059 -0.060 0.000 1.217 40 L HN 0.491 nan 8.230 nan 0.000 0.420 41 D N 2.990 123.314 120.400 -0.125 0.000 2.384 41 D HA 0.298 4.938 4.640 0.000 0.000 0.244 41 D C -0.592 175.524 176.300 -0.306 0.000 1.251 41 D CA 0.127 54.026 54.000 -0.168 0.000 0.961 41 D CB 0.846 41.569 40.800 -0.127 0.000 1.116 41 D HN 0.390 nan 8.370 nan 0.000 0.484 42 K N -0.186 119.972 120.400 -0.402 0.000 2.589 42 K HA 0.155 4.475 4.320 0.000 0.000 0.253 42 K C 0.651 176.911 176.600 -0.567 0.000 0.974 42 K CA -0.351 55.419 56.287 -0.861 0.000 0.835 42 K CB 1.454 33.370 32.500 -0.972 0.000 1.272 42 K HN 0.315 nan 8.250 nan 0.000 0.444 43 S N 2.837 118.298 115.700 -0.398 0.000 2.368 43 S HA -0.158 4.312 4.470 0.000 0.000 0.225 43 S C 1.616 176.344 174.600 0.213 0.000 1.030 43 S CA 0.920 59.143 58.200 0.038 0.000 0.999 43 S CB -0.582 62.731 63.200 0.188 0.000 0.844 43 S HN 0.509 nan 8.310 nan 0.000 0.459 44 F N 2.900 122.846 119.950 -0.007 0.000 2.448 44 F HA 0.031 4.558 4.527 0.000 0.000 0.304 44 F C 1.951 177.748 175.800 -0.005 0.000 1.289 44 F CA 0.534 58.531 58.000 -0.006 0.000 1.306 44 F CB -1.839 37.157 39.000 -0.007 0.000 0.875 44 F HN 0.485 nan 8.300 nan 0.000 0.600 45 G N -1.784 107.112 108.800 0.160 0.000 3.253 45 G HA2 0.600 4.560 3.960 0.000 0.000 0.175 45 G HA3 0.600 4.560 3.960 0.000 0.000 0.175 45 G C -0.938 173.957 174.900 -0.008 0.000 1.098 45 G CA -0.205 44.933 45.100 0.063 0.000 0.790 45 G HN 0.603 nan 8.290 nan 0.000 0.648 46 A N 0.736 123.553 122.820 -0.004 0.000 2.531 46 A HA 0.544 4.864 4.320 0.000 0.000 0.236 46 A C -1.856 175.693 177.584 -0.058 0.000 1.062 46 A CA -0.245 51.776 52.037 -0.026 0.000 0.760 46 A CB -0.628 18.366 19.000 -0.011 0.000 0.995 46 A HN 0.347 nan 8.150 nan 0.000 0.501 47 P HA 0.210 nan 4.420 nan 0.000 0.272 47 P C -0.095 177.168 177.300 -0.062 0.000 1.248 47 P CA 0.072 63.117 63.100 -0.092 0.000 0.799 47 P CB 0.401 32.056 31.700 -0.074 0.000 0.997 48 T N 1.057 115.572 114.554 -0.064 0.000 2.797 48 T HA 0.549 4.899 4.350 0.000 0.000 0.279 48 T C -0.084 174.598 174.700 -0.031 0.000 0.991 48 T CA -0.293 61.784 62.100 -0.038 0.000 0.979 48 T CB 0.025 68.871 68.868 -0.035 0.000 0.943 48 T HN 0.119 nan 8.240 nan 0.000 0.444 49 I N 2.873 123.431 120.570 -0.019 0.000 2.336 49 I HA 0.548 4.718 4.170 0.000 0.000 0.292 49 I C 0.509 176.620 176.117 -0.010 0.000 0.991 49 I CA -0.360 60.931 61.300 -0.015 0.000 1.227 49 I CB 1.762 39.755 38.000 -0.012 0.000 1.366 49 I HN 0.452 nan 8.210 nan 0.000 0.466 50 T N 4.109 118.657 114.554 -0.010 0.000 2.868 50 T HA 0.324 4.674 4.350 0.000 0.000 0.306 50 T C 0.027 174.724 174.700 -0.005 0.000 1.224 50 T CA -0.609 61.488 62.100 -0.005 0.000 1.012 50 T CB 1.802 70.667 68.868 -0.004 0.000 1.221 50 T HN 0.705 nan 8.240 nan 0.000 0.499 51 K N 1.070 121.469 120.400 -0.002 0.000 2.358 51 K HA 0.192 4.512 4.320 0.000 0.000 0.200 51 K C -0.406 176.193 176.600 -0.001 0.000 1.030 51 K CA -0.077 56.209 56.287 -0.002 0.000 1.097 51 K CB 0.335 32.835 32.500 0.000 0.000 0.862 51 K HN 0.533 nan 8.250 nan 0.000 0.534 52 D N -0.487 119.912 120.400 -0.003 0.000 2.396 52 D HA 0.142 4.782 4.640 0.000 0.000 0.225 52 D C 1.158 177.454 176.300 -0.007 0.000 1.121 52 D CA -0.182 53.815 54.000 -0.005 0.000 0.853 52 D CB 1.270 42.067 40.800 -0.005 0.000 1.043 52 D HN 0.171 nan 8.370 nan 0.000 0.500 53 G N 2.638 111.435 108.800 -0.006 0.000 2.556 53 G HA2 -0.305 3.655 3.960 0.000 0.000 0.220 53 G HA3 -0.305 3.655 3.960 0.000 0.000 0.220 53 G C 1.513 176.407 174.900 -0.010 0.000 1.156 53 G CA 0.964 46.060 45.100 -0.006 0.000 0.766 53 G HN 0.515 nan 8.290 nan 0.000 0.583 54 V N 0.333 120.237 119.914 -0.016 0.000 2.594 54 V HA -0.121 3.999 4.120 0.000 0.000 0.253 54 V C 2.865 178.950 176.094 -0.015 0.000 1.069 54 V CA 2.748 65.036 62.300 -0.021 0.000 1.082 54 V CB -0.315 31.488 31.823 -0.034 0.000 0.680 54 V HN 0.339 nan 8.190 nan 0.000 0.469 55 S N -0.449 115.245 115.700 -0.011 0.000 2.355 55 S HA -0.140 4.330 4.470 0.000 0.000 0.222 55 S C 1.844 176.441 174.600 -0.006 0.000 1.031 55 S CA 1.615 59.812 58.200 -0.005 0.000 0.993 55 S CB -0.097 63.102 63.200 -0.003 0.000 0.859 55 S HN 0.515 nan 8.310 nan 0.000 0.453 56 V N 2.007 121.916 119.914 -0.008 0.000 2.295 56 V HA -0.194 3.926 4.120 0.000 0.000 0.246 56 V C 2.614 178.703 176.094 -0.008 0.000 1.049 56 V CA 1.704 63.998 62.300 -0.009 0.000 1.024 56 V CB -1.248 30.570 31.823 -0.008 0.000 0.648 56 V HN 0.522 nan 8.190 nan 0.000 0.447 57 A N 0.546 123.362 122.820 -0.008 0.000 1.851 57 A HA -0.257 4.063 4.320 0.000 0.000 0.216 57 A C 2.280 179.860 177.584 -0.007 0.000 1.195 57 A CA 2.007 54.039 52.037 -0.008 0.000 0.622 57 A CB -0.650 18.344 19.000 -0.010 0.000 0.831 57 A HN 0.491 nan 8.150 nan 0.000 0.444 58 R N -0.284 120.212 120.500 -0.007 0.000 2.204 58 R HA -0.183 4.157 4.340 0.000 0.000 0.253 58 R C 1.438 177.739 176.300 0.002 0.000 1.172 58 R CA 1.458 57.556 56.100 -0.003 0.000 0.994 58 R CB -0.546 29.755 30.300 0.001 0.000 0.874 58 R HN 0.577 nan 8.270 nan 0.000 0.462 59 E N 0.340 120.539 120.200 -0.001 0.000 2.299 59 E HA 0.052 4.402 4.350 0.000 0.000 0.193 59 E C 0.696 177.292 176.600 -0.005 0.000 0.998 59 E CA 0.190 56.589 56.400 -0.003 0.000 0.851 59 E CB 0.178 29.870 29.700 -0.013 0.000 0.795 59 E HN 0.165 nan 8.360 nan 0.000 0.492 60 I N 2.275 122.842 120.570 -0.006 0.000 2.436 60 I HA 0.127 4.297 4.170 0.000 0.000 0.289 60 I C 0.429 176.543 176.117 -0.005 0.000 1.083 60 I CA 0.193 61.489 61.300 -0.005 0.000 1.372 60 I CB 0.153 38.151 38.000 -0.004 0.000 1.408 60 I HN -0.039 nan 8.210 nan 0.000 0.516 61 E N 6.391 126.588 120.200 -0.005 0.000 2.308 61 E HA 0.493 4.843 4.350 0.000 0.000 0.275 61 E C -1.837 174.759 176.600 -0.006 0.000 0.890 61 E CA -0.697 55.699 56.400 -0.006 0.000 0.754 61 E CB 2.111 31.807 29.700 -0.007 0.000 1.207 61 E HN 0.225 nan 8.360 nan 0.000 0.426 62 L N 3.168 124.387 121.223 -0.006 0.000 2.334 62 L HA 0.310 4.650 4.340 0.000 0.000 0.270 62 L C 1.343 178.210 176.870 -0.005 0.000 1.018 62 L CA -0.025 54.815 54.840 -0.002 0.000 0.811 62 L CB 1.311 43.374 42.059 0.007 0.000 1.271 62 L HN 0.860 nan 8.230 nan 0.000 0.443 63 E N 0.223 120.423 120.200 -0.000 0.000 2.076 63 E HA -0.125 4.225 4.350 0.000 0.000 0.190 63 E C 0.255 176.854 176.600 -0.001 0.000 0.979 63 E CA 0.449 56.847 56.400 -0.003 0.000 0.807 63 E CB 0.163 29.864 29.700 0.002 0.000 0.761 63 E HN 0.636 nan 8.360 nan 0.000 0.454 64 D N 0.900 121.311 120.400 0.017 0.000 2.389 64 D HA -0.065 4.575 4.640 0.000 0.000 0.263 64 D C 0.571 176.879 176.300 0.013 0.000 1.255 64 D CA 0.046 54.071 54.000 0.041 0.000 0.914 64 D CB 0.772 41.618 40.800 0.077 0.000 1.116 64 D HN 0.065 nan 8.370 nan 0.000 0.502 65 K N 3.384 123.748 120.400 -0.060 0.000 2.160 65 K HA -0.170 4.150 4.320 0.000 0.000 0.206 65 K C 1.662 178.121 176.600 -0.236 0.000 1.047 65 K CA 1.086 57.255 56.287 -0.197 0.000 0.930 65 K CB -0.156 32.134 32.500 -0.350 0.000 0.720 65 K HN 0.508 nan 8.250 nan 0.000 0.450 66 F N 1.055 120.994 119.950 -0.020 0.000 2.219 66 F HA 0.006 4.533 4.527 -0.000 0.000 0.294 66 F C 2.345 178.135 175.800 -0.017 0.000 1.086 66 F CA 0.704 58.690 58.000 -0.023 0.000 1.330 66 F CB -0.307 38.678 39.000 -0.025 0.000 1.047 66 F HN 0.052 nan 8.300 nan 0.000 0.495 67 E N 0.168 120.470 120.200 0.171 0.000 2.077 67 E HA -0.258 4.092 4.350 0.000 0.000 0.193 67 E C 1.835 178.466 176.600 0.051 0.000 0.989 67 E CA 1.302 57.757 56.400 0.091 0.000 0.800 67 E CB -0.283 29.457 29.700 0.067 0.000 0.746 67 E HN 0.262 nan 8.360 nan 0.000 0.452 68 N N 0.583 119.299 118.700 0.026 0.000 2.069 68 N HA -0.181 4.559 4.740 0.000 0.000 0.191 68 N C 1.723 177.232 175.510 -0.002 0.000 1.031 68 N CA 1.470 54.519 53.050 -0.001 0.000 0.852 68 N CB -0.034 38.436 38.487 -0.029 0.000 1.018 68 N HN 0.079 nan 8.380 nan 0.000 0.423 69 M N -0.627 118.971 119.600 -0.004 0.000 2.108 69 M HA -0.083 4.397 4.480 0.000 0.000 0.261 69 M C 2.160 178.472 176.300 0.021 0.000 1.066 69 M CA 1.701 57.001 55.300 0.001 0.000 1.107 69 M CB -0.654 31.950 32.600 0.006 0.000 1.356 69 M HN 0.332 nan 8.290 nan 0.000 0.406 70 G N 0.023 108.846 108.800 0.040 0.000 2.514 70 G HA2 -0.237 3.723 3.960 0.000 0.000 0.217 70 G HA3 -0.237 3.723 3.960 0.000 0.000 0.217 70 G C 1.596 176.508 174.900 0.021 0.000 1.198 70 G CA 1.191 46.311 45.100 0.034 0.000 0.780 70 G HN 0.561 nan 8.290 nan 0.000 0.565 71 A N -0.432 122.398 122.820 0.016 0.000 1.933 71 A HA -0.038 4.283 4.320 0.000 0.000 0.218 71 A C 2.355 179.941 177.584 0.003 0.000 1.175 71 A CA 1.872 53.914 52.037 0.009 0.000 0.628 71 A CB -0.306 18.698 19.000 0.007 0.000 0.814 71 A HN 0.331 nan 8.150 nan 0.000 0.444 72 Q N -0.953 118.847 119.800 0.000 0.000 2.369 72 Q HA 0.022 4.362 4.340 0.000 0.000 0.206 72 Q C 1.942 177.939 176.000 -0.004 0.000 0.963 72 Q CA 0.954 56.754 55.803 -0.006 0.000 0.894 72 Q CB -0.239 28.492 28.738 -0.012 0.000 0.965 72 Q HN 0.784 nan 8.270 nan 0.000 0.475 73 M N -0.478 119.123 119.600 0.002 0.000 2.257 73 M HA -0.098 4.382 4.480 0.000 0.000 0.260 73 M C 2.204 178.508 176.300 0.006 0.000 1.102 73 M CA 0.971 56.274 55.300 0.005 0.000 1.169 73 M CB -0.207 32.400 32.600 0.012 0.000 1.323 73 M HN 0.009 nan 8.290 nan 0.000 0.447 74 V N -0.491 119.429 119.914 0.010 0.000 2.469 74 V HA -0.259 3.861 4.120 0.000 0.000 0.251 74 V C 2.121 178.217 176.094 0.004 0.000 1.064 74 V CA 1.895 64.202 62.300 0.011 0.000 1.066 74 V CB -1.397 30.434 31.823 0.013 0.000 0.667 74 V HN 0.501 nan 8.190 nan 0.000 0.461 75 K N 0.594 120.993 120.400 -0.002 0.000 2.228 75 K HA -0.287 4.033 4.320 0.000 0.000 0.205 75 K C 2.199 178.786 176.600 -0.022 0.000 1.045 75 K CA 2.065 58.346 56.287 -0.010 0.000 0.931 75 K CB -0.148 32.345 32.500 -0.011 0.000 0.727 75 K HN 0.700 nan 8.250 nan 0.000 0.458 76 E N 0.325 120.511 120.200 -0.023 0.000 2.371 76 E HA -0.100 4.250 4.350 0.000 0.000 0.194 76 E C 1.816 178.380 176.600 -0.061 0.000 1.012 76 E CA 0.526 56.900 56.400 -0.044 0.000 0.860 76 E CB 0.250 29.929 29.700 -0.035 0.000 0.811 76 E HN 0.291 nan 8.360 nan 0.000 0.502 77 V N 0.050 119.951 119.914 -0.022 0.000 2.283 77 V HA -0.125 3.995 4.120 0.000 0.000 0.243 77 V C 2.243 178.319 176.094 -0.030 0.000 1.039 77 V CA 1.961 64.262 62.300 0.001 0.000 1.016 77 V CB -0.553 31.303 31.823 0.055 0.000 0.650 77 V HN 0.257 nan 8.190 nan 0.000 0.449 78 A N 0.089 122.898 122.820 -0.019 0.000 1.940 78 A HA -0.226 4.094 4.320 0.000 0.000 0.219 78 A C 2.629 180.179 177.584 -0.057 0.000 1.176 78 A CA 2.766 54.789 52.037 -0.024 0.000 0.631 78 A CB -1.135 17.856 19.000 -0.015 0.000 0.814 78 A HN 0.840 nan 8.150 nan 0.000 0.446 79 S N -1.088 114.567 115.700 -0.076 0.000 2.357 79 S HA -0.118 4.352 4.470 0.000 0.000 0.221 79 S C 2.172 176.678 174.600 -0.157 0.000 1.031 79 S CA 1.409 59.552 58.200 -0.095 0.000 0.982 79 S CB -0.269 62.885 63.200 -0.078 0.000 0.853 79 S HN 0.431 nan 8.310 nan 0.000 0.458 80 K N 1.290 121.538 120.400 -0.254 0.000 2.026 80 K HA 0.076 4.396 4.320 0.000 0.000 0.208 80 K C 2.400 178.688 176.600 -0.521 0.000 1.048 80 K CA 1.214 57.211 56.287 -0.482 0.000 0.929 80 K CB -1.047 30.976 32.500 -0.796 0.000 0.713 80 K HN 0.444 nan 8.250 nan 0.000 0.439 81 A N 2.058 124.669 122.820 -0.349 0.000 1.971 81 A HA -0.266 4.054 4.320 0.000 0.000 0.222 81 A C 1.999 179.558 177.584 -0.043 0.000 1.182 81 A CA 2.218 54.236 52.037 -0.032 0.000 0.649 81 A CB -0.753 18.282 19.000 0.059 0.000 0.818 81 A HN 0.540 nan 8.150 nan 0.000 0.458 82 N N -1.041 117.602 118.700 -0.096 0.000 2.250 82 N HA -0.137 4.603 4.740 0.000 0.000 0.181 82 N C 0.767 176.212 175.510 -0.108 0.000 1.017 82 N CA 1.209 54.200 53.050 -0.099 0.000 0.866 82 N CB -0.127 38.303 38.487 -0.094 0.000 0.985 82 N HN 0.355 nan 8.380 nan 0.000 0.429 83 D N 0.644 120.980 120.400 -0.106 0.000 2.264 83 D HA -0.028 4.612 4.640 0.000 0.000 0.208 83 D C 1.637 177.920 176.300 -0.027 0.000 0.966 83 D CA 0.527 54.484 54.000 -0.071 0.000 0.864 83 D CB -0.022 40.727 40.800 -0.085 0.000 0.933 83 D HN 0.388 nan 8.370 nan 0.000 0.499 84 A N 0.360 123.170 122.820 -0.016 0.000 1.861 84 A HA 0.314 4.634 4.320 0.000 0.000 0.212 84 A C 1.922 179.556 177.584 0.084 0.000 1.199 84 A CA 1.613 53.699 52.037 0.082 0.000 0.613 84 A CB 0.070 19.215 19.000 0.242 0.000 0.846 84 A HN 0.198 nan 8.150 nan 0.000 0.446 85 A N -2.764 120.087 122.820 0.053 0.000 2.653 85 A HA 0.474 4.794 4.320 0.000 0.000 0.248 85 A C 1.455 179.024 177.584 -0.025 0.000 1.211 85 A CA 1.001 53.073 52.037 0.059 0.000 0.991 85 A CB -0.415 18.629 19.000 0.074 0.000 1.252 85 A HN 1.911 nan 8.150 nan 0.000 0.593 86 G N -0.148 108.552 108.800 -0.167 0.000 2.258 86 G HA2 -0.194 3.766 3.960 0.000 0.000 0.274 86 G HA3 -0.194 3.766 3.960 0.000 0.000 0.274 86 G C -0.191 174.602 174.900 -0.179 0.000 1.021 86 G CA 0.863 45.735 45.100 -0.380 0.000 0.798 86 G HN 0.719 nan 8.290 nan 0.000 0.507 87 D N -2.508 117.855 120.400 -0.062 0.000 2.653 87 D HA 0.524 5.164 4.640 0.000 0.000 0.258 87 D C 0.882 177.187 176.300 0.008 0.000 1.252 87 D CA 0.869 54.860 54.000 -0.016 0.000 0.777 87 D CB 0.675 41.485 40.800 0.016 0.000 1.339 87 D HN 1.248 nan 8.370 nan 0.000 0.422 88 G N 0.382 109.190 108.800 0.013 0.000 2.157 88 G HA2 -0.331 3.629 3.960 0.000 0.000 0.248 88 G HA3 -0.331 3.629 3.960 0.000 0.000 0.248 88 G C 1.016 175.932 174.900 0.027 0.000 0.979 88 G CA 1.688 46.803 45.100 0.025 0.000 0.650 88 G HN 0.806 nan 8.290 nan 0.000 0.529 89 T N -2.312 112.249 114.554 0.012 0.000 2.788 89 T HA -0.117 4.233 4.350 0.000 0.000 0.268 89 T C 2.226 176.933 174.700 0.012 0.000 1.044 89 T CA 2.545 64.650 62.100 0.008 0.000 1.139 89 T CB -0.667 68.194 68.868 -0.012 0.000 0.867 89 T HN 0.360 nan 8.240 nan 0.000 0.454 90 T N 1.945 116.505 114.554 0.010 0.000 2.708 90 T HA -0.096 4.254 4.350 0.000 0.000 0.266 90 T C 2.262 176.973 174.700 0.017 0.000 1.037 90 T CA 1.835 63.942 62.100 0.011 0.000 1.146 90 T CB -0.997 67.876 68.868 0.009 0.000 0.865 90 T HN 0.513 nan 8.240 nan 0.000 0.435 91 T N 2.274 116.841 114.554 0.021 0.000 2.622 91 T HA -0.123 4.227 4.350 0.000 0.000 0.266 91 T C 2.386 177.104 174.700 0.030 0.000 1.047 91 T CA 1.429 63.544 62.100 0.024 0.000 1.159 91 T CB -0.838 68.046 68.868 0.026 0.000 0.863 91 T HN 0.439 nan 8.240 nan 0.000 0.422 92 A N 1.446 124.290 122.820 0.040 0.000 1.870 92 A HA -0.269 4.052 4.320 0.000 0.000 0.219 92 A C 2.559 180.168 177.584 0.041 0.000 1.224 92 A CA 2.808 54.877 52.037 0.054 0.000 0.650 92 A CB -1.648 17.401 19.000 0.080 0.000 0.836 92 A HN 0.511 nan 8.150 nan 0.000 0.454 93 T N -0.378 114.195 114.554 0.030 0.000 2.653 93 T HA -0.184 4.166 4.350 0.000 0.000 0.268 93 T C 1.861 176.573 174.700 0.021 0.000 1.035 93 T CA 1.807 63.920 62.100 0.022 0.000 1.154 93 T CB -0.636 68.240 68.868 0.014 0.000 0.862 93 T HN 0.200 nan 8.240 nan 0.000 0.441 94 V N 1.264 121.190 119.914 0.020 0.000 2.287 94 V HA -0.160 3.960 4.120 0.000 0.000 0.248 94 V C 2.497 178.602 176.094 0.019 0.000 1.053 94 V CA 1.599 63.910 62.300 0.017 0.000 1.027 94 V CB -0.675 31.158 31.823 0.017 0.000 0.646 94 V HN 0.440 nan 8.190 nan 0.000 0.447 95 L N -0.241 120.996 121.223 0.023 0.000 2.046 95 L HA -0.167 4.173 4.340 0.000 0.000 0.208 95 L C 2.705 179.589 176.870 0.023 0.000 1.077 95 L CA 1.555 56.408 54.840 0.022 0.000 0.747 95 L CB -0.721 41.353 42.059 0.025 0.000 0.896 95 L HN 0.376 nan 8.230 nan 0.000 0.432 96 A N 0.213 123.050 122.820 0.028 0.000 1.877 96 A HA -0.294 4.026 4.320 0.000 0.000 0.216 96 A C 2.193 179.790 177.584 0.021 0.000 1.186 96 A CA 1.810 53.864 52.037 0.028 0.000 0.620 96 A CB -0.691 18.329 19.000 0.033 0.000 0.822 96 A HN 0.536 nan 8.150 nan 0.000 0.443 97 Q N 0.014 119.825 119.800 0.019 0.000 2.197 97 Q HA -0.072 4.268 4.340 0.000 0.000 0.207 97 Q C 1.788 177.797 176.000 0.014 0.000 0.984 97 Q CA 2.391 58.203 55.803 0.016 0.000 0.869 97 Q CB -0.465 28.281 28.738 0.013 0.000 0.906 97 Q HN 0.522 nan 8.270 nan 0.000 0.426 98 A N 0.786 123.615 122.820 0.015 0.000 1.855 98 A HA 0.006 4.326 4.320 0.000 0.000 0.213 98 A C 2.137 179.728 177.584 0.013 0.000 1.195 98 A CA 1.132 53.176 52.037 0.013 0.000 0.610 98 A CB -0.574 18.433 19.000 0.013 0.000 0.837 98 A HN 0.455 nan 8.150 nan 0.000 0.444 99 I N -0.097 120.482 120.570 0.015 0.000 2.163 99 I HA -0.305 3.865 4.170 0.000 0.000 0.243 99 I C 2.353 178.479 176.117 0.014 0.000 1.085 99 I CA 1.592 62.900 61.300 0.014 0.000 1.347 99 I CB -0.528 37.482 38.000 0.016 0.000 1.044 99 I HN 0.303 nan 8.210 nan 0.000 0.408 100 I N 0.371 120.950 120.570 0.015 0.000 2.142 100 I HA -0.291 3.879 4.170 0.000 0.000 0.240 100 I C 2.645 178.769 176.117 0.013 0.000 1.078 100 I CA 1.715 63.024 61.300 0.015 0.000 1.343 100 I CB -0.678 37.332 38.000 0.017 0.000 1.046 100 I HN 0.220 nan 8.210 nan 0.000 0.405 101 T N 0.150 114.711 114.554 0.012 0.000 2.607 101 T HA -0.212 4.138 4.350 0.000 0.000 0.267 101 T C 1.887 176.592 174.700 0.008 0.000 1.049 101 T CA 1.548 63.653 62.100 0.009 0.000 1.162 101 T CB -0.223 68.650 68.868 0.008 0.000 0.863 101 T HN 0.255 nan 8.240 nan 0.000 0.424 102 E N 0.533 120.738 120.200 0.009 0.000 2.051 102 E HA -0.032 4.318 4.350 0.000 0.000 0.192 102 E C 2.531 179.135 176.600 0.008 0.000 0.991 102 E CA 1.275 57.679 56.400 0.008 0.000 0.799 102 E CB -1.042 28.662 29.700 0.008 0.000 0.748 102 E HN 0.551 nan 8.360 nan 0.000 0.449 103 G N 1.257 110.062 108.800 0.009 0.000 2.459 103 G HA2 -0.242 3.718 3.960 0.000 0.000 0.217 103 G HA3 -0.242 3.718 3.960 0.000 0.000 0.217 103 G C 1.740 176.646 174.900 0.010 0.000 1.183 103 G CA 0.782 45.888 45.100 0.010 0.000 0.776 103 G HN 0.219 nan 8.290 nan 0.000 0.552 104 L N 0.077 121.306 121.223 0.010 0.000 2.079 104 L HA -0.101 4.239 4.340 0.000 0.000 0.210 104 L C 2.849 179.723 176.870 0.007 0.000 1.081 104 L CA 1.541 56.387 54.840 0.009 0.000 0.752 104 L CB -0.345 41.720 42.059 0.009 0.000 0.896 104 L HN 0.261 nan 8.230 nan 0.000 0.433 105 K N 0.144 120.548 120.400 0.007 0.000 2.147 105 K HA -0.157 4.163 4.320 0.000 0.000 0.205 105 K C 2.059 178.662 176.600 0.005 0.000 1.049 105 K CA 1.248 57.538 56.287 0.005 0.000 0.936 105 K CB 0.001 32.504 32.500 0.005 0.000 0.722 105 K HN 0.291 nan 8.250 nan 0.000 0.446 106 A N 0.184 123.008 122.820 0.006 0.000 2.016 106 A HA -0.020 4.300 4.320 0.000 0.000 0.217 106 A C 2.059 179.646 177.584 0.006 0.000 1.162 106 A CA 0.791 52.831 52.037 0.006 0.000 0.662 106 A CB -0.157 18.847 19.000 0.006 0.000 0.812 106 A HN 0.133 nan 8.150 nan 0.000 0.450 107 V N -0.067 119.851 119.914 0.008 0.000 2.427 107 V HA -0.217 3.903 4.120 0.000 0.000 0.248 107 V C 2.943 179.041 176.094 0.007 0.000 1.051 107 V CA 1.760 64.065 62.300 0.009 0.000 1.048 107 V CB -1.029 30.801 31.823 0.011 0.000 0.666 107 V HN 0.573 nan 8.190 nan 0.000 0.456 108 A N -0.098 122.726 122.820 0.006 0.000 2.067 108 A HA 0.068 4.388 4.320 0.000 0.000 0.219 108 A C 2.255 179.840 177.584 0.003 0.000 1.158 108 A CA 1.471 53.510 52.037 0.004 0.000 0.661 108 A CB -0.449 18.553 19.000 0.003 0.000 0.801 108 A HN 0.555 nan 8.150 nan 0.000 0.452 109 A N -1.717 121.104 122.820 0.003 0.000 2.206 109 A HA 0.394 4.714 4.320 0.000 0.000 0.211 109 A C 1.758 179.343 177.584 0.002 0.000 1.158 109 A CA 1.268 53.307 52.037 0.002 0.000 0.761 109 A CB -0.730 18.271 19.000 0.003 0.000 0.801 109 A HN 1.803 nan 8.150 nan 0.000 0.473 110 G N -1.948 106.854 108.800 0.003 0.000 2.144 110 G HA2 -0.217 3.743 3.960 0.000 0.000 0.218 110 G HA3 -0.217 3.743 3.960 0.000 0.000 0.218 110 G C 0.136 175.038 174.900 0.004 0.000 0.988 110 G CA 0.207 45.309 45.100 0.003 0.000 0.659 110 G HN 0.362 nan 8.290 nan 0.000 0.522 111 M N 0.463 120.066 119.600 0.005 0.000 2.226 111 M HA 0.288 4.768 4.480 0.000 0.000 0.324 111 M C 0.795 177.099 176.300 0.007 0.000 1.112 111 M CA -0.410 54.893 55.300 0.005 0.000 1.176 111 M CB 0.393 32.996 32.600 0.006 0.000 1.430 111 M HN 0.218 nan 8.290 nan 0.000 0.462 112 N N 2.294 120.998 118.700 0.007 0.000 2.415 112 N HA 0.203 4.943 4.740 0.000 0.000 0.246 112 N C -2.281 173.235 175.510 0.010 0.000 1.078 112 N CA -1.927 51.129 53.050 0.009 0.000 0.942 112 N CB 0.870 39.362 38.487 0.008 0.000 1.140 112 N HN 0.175 nan 8.380 nan 0.000 0.501 113 P HA -0.177 nan 4.420 nan 0.000 0.216 113 P C 1.542 178.850 177.300 0.013 0.000 1.153 113 P CA 1.227 64.336 63.100 0.014 0.000 0.858 113 P CB 0.146 31.856 31.700 0.017 0.000 0.789 114 M N -0.793 118.815 119.600 0.014 0.000 2.213 114 M HA -0.135 4.345 4.480 0.000 0.000 0.263 114 M C 1.273 177.579 176.300 0.011 0.000 1.062 114 M CA 1.637 56.945 55.300 0.013 0.000 1.105 114 M CB -1.490 31.117 32.600 0.013 0.000 1.385 114 M HN -0.051 nan 8.290 nan 0.000 0.417 115 D N -0.188 120.217 120.400 0.010 0.000 2.162 115 D HA -0.007 4.633 4.640 0.000 0.000 0.203 115 D C 2.222 178.526 176.300 0.008 0.000 0.967 115 D CA 0.669 54.674 54.000 0.008 0.000 0.840 115 D CB -0.003 40.801 40.800 0.007 0.000 0.972 115 D HN 0.306 nan 8.370 nan 0.000 0.482 116 L N 0.794 122.022 121.223 0.009 0.000 2.042 116 L HA -0.195 4.145 4.340 0.000 0.000 0.210 116 L C 2.495 179.371 176.870 0.009 0.000 1.076 116 L CA 1.181 56.026 54.840 0.009 0.000 0.749 116 L CB -0.299 41.766 42.059 0.010 0.000 0.893 116 L HN 0.020 nan 8.230 nan 0.000 0.432 117 K N 0.300 120.707 120.400 0.011 0.000 1.991 117 K HA -0.206 4.114 4.320 0.000 0.000 0.212 117 K C 2.280 178.885 176.600 0.009 0.000 1.049 117 K CA 1.423 57.716 56.287 0.011 0.000 0.932 117 K CB -0.052 32.456 32.500 0.013 0.000 0.717 117 K HN 0.158 nan 8.250 nan 0.000 0.441 118 R N -0.263 120.241 120.500 0.008 0.000 2.103 118 R HA -0.135 4.205 4.340 0.000 0.000 0.242 118 R C 2.473 178.776 176.300 0.005 0.000 1.142 118 R CA 1.507 57.611 56.100 0.006 0.000 0.960 118 R CB -0.702 29.601 30.300 0.006 0.000 0.858 118 R HN 0.466 nan 8.270 nan 0.000 0.439 119 G N 1.467 110.270 108.800 0.005 0.000 2.433 119 G HA2 -0.232 3.728 3.960 0.000 0.000 0.216 119 G HA3 -0.232 3.728 3.960 0.000 0.000 0.216 119 G C 1.503 176.405 174.900 0.004 0.000 1.186 119 G CA 0.601 45.703 45.100 0.004 0.000 0.779 119 G HN 0.153 nan 8.290 nan 0.000 0.543 120 I N 1.173 121.746 120.570 0.005 0.000 2.151 120 I HA -0.206 3.964 4.170 0.000 0.000 0.243 120 I C 2.359 178.478 176.117 0.002 0.000 1.080 120 I CA 1.571 62.874 61.300 0.005 0.000 1.339 120 I CB -0.125 37.880 38.000 0.007 0.000 1.039 120 I HN 0.070 nan 8.210 nan 0.000 0.409 121 D N 0.371 120.772 120.400 0.002 0.000 2.117 121 D HA -0.192 4.448 4.640 0.000 0.000 0.198 121 D C 2.082 178.380 176.300 -0.003 0.000 0.982 121 D CA 1.128 55.128 54.000 -0.001 0.000 0.828 121 D CB -0.200 40.601 40.800 0.001 0.000 0.967 121 D HN 0.280 nan 8.370 nan 0.000 0.464 122 K N 1.032 121.432 120.400 -0.001 0.000 2.009 122 K HA -0.160 4.160 4.320 0.000 0.000 0.210 122 K C 2.061 178.659 176.600 -0.003 0.000 1.049 122 K CA 1.616 57.902 56.287 -0.002 0.000 0.929 122 K CB -0.175 32.325 32.500 -0.000 0.000 0.714 122 K HN 0.002 nan 8.250 nan 0.000 0.440 123 A N 0.531 123.350 122.820 -0.002 0.000 1.903 123 A HA -0.195 4.125 4.320 0.000 0.000 0.219 123 A C 2.307 179.888 177.584 -0.005 0.000 1.191 123 A CA 2.202 54.238 52.037 -0.002 0.000 0.638 123 A CB -0.954 18.046 19.000 0.000 0.000 0.823 123 A HN 0.215 nan 8.150 nan 0.000 0.451 124 V N -0.397 119.513 119.914 -0.008 0.000 2.307 124 V HA -0.220 3.900 4.120 0.000 0.000 0.245 124 V C 2.728 178.811 176.094 -0.019 0.000 1.045 124 V CA 2.433 64.724 62.300 -0.015 0.000 1.024 124 V CB -1.338 30.474 31.823 -0.019 0.000 0.651 124 V HN 0.643 nan 8.190 nan 0.000 0.449 125 T N 0.550 115.094 114.554 -0.017 0.000 2.778 125 T HA -0.223 4.127 4.350 0.000 0.000 0.269 125 T C 1.949 176.641 174.700 -0.014 0.000 1.050 125 T CA 1.667 63.757 62.100 -0.017 0.000 1.137 125 T CB -0.400 68.460 68.868 -0.012 0.000 0.860 125 T HN 0.580 nan 8.240 nan 0.000 0.468 126 A N 1.265 124.079 122.820 -0.010 0.000 1.898 126 A HA 0.381 4.701 4.320 0.000 0.000 0.214 126 A C 2.689 180.268 177.584 -0.007 0.000 1.183 126 A CA 1.389 53.422 52.037 -0.007 0.000 0.622 126 A CB -1.067 17.930 19.000 -0.004 0.000 0.824 126 A HN 0.489 nan 8.150 nan 0.000 0.444 127 A N -0.381 122.434 122.820 -0.008 0.000 1.940 127 A HA -0.042 4.278 4.320 0.000 0.000 0.219 127 A C 2.193 179.770 177.584 -0.011 0.000 1.176 127 A CA 1.904 53.937 52.037 -0.008 0.000 0.631 127 A CB -0.874 18.121 19.000 -0.008 0.000 0.814 127 A HN 0.384 nan 8.150 nan 0.000 0.446 128 V N -0.161 119.742 119.914 -0.018 0.000 2.427 128 V HA -0.170 3.950 4.120 0.000 0.000 0.248 128 V C 2.587 178.672 176.094 -0.015 0.000 1.051 128 V CA 2.052 64.338 62.300 -0.023 0.000 1.048 128 V CB -0.670 31.133 31.823 -0.035 0.000 0.666 128 V HN 0.453 nan 8.190 nan 0.000 0.456 129 E N -0.017 120.176 120.200 -0.012 0.000 2.077 129 E HA -0.177 4.173 4.350 0.000 0.000 0.193 129 E C 2.320 178.918 176.600 -0.004 0.000 0.989 129 E CA 0.979 57.374 56.400 -0.007 0.000 0.800 129 E CB -0.327 29.370 29.700 -0.006 0.000 0.746 129 E HN 0.493 nan 8.360 nan 0.000 0.452 130 E N 0.435 120.633 120.200 -0.003 0.000 2.058 130 E HA -0.151 4.199 4.350 0.000 0.000 0.194 130 E C 2.391 178.992 176.600 0.002 0.000 0.997 130 E CA 0.625 57.026 56.400 0.001 0.000 0.801 130 E CB -0.405 29.296 29.700 0.002 0.000 0.746 130 E HN 0.279 nan 8.360 nan 0.000 0.450 131 L N 0.687 121.910 121.223 -0.000 0.000 2.012 131 L HA -0.207 4.133 4.340 0.000 0.000 0.210 131 L C 2.441 179.311 176.870 0.001 0.000 1.073 131 L CA 1.394 56.235 54.840 0.001 0.000 0.748 131 L CB -0.360 41.697 42.059 -0.003 0.000 0.891 131 L HN 0.055 nan 8.230 nan 0.000 0.431 132 K N -0.212 120.187 120.400 -0.002 0.000 2.280 132 K HA -0.116 4.204 4.320 0.000 0.000 0.202 132 K C 2.108 178.709 176.600 0.002 0.000 1.047 132 K CA 1.110 57.397 56.287 -0.000 0.000 0.942 132 K CB -0.144 32.355 32.500 -0.003 0.000 0.739 132 K HN 0.326 nan 8.250 nan 0.000 0.457 133 A N 0.790 123.612 122.820 0.003 0.000 1.898 133 A HA -0.057 4.263 4.320 0.000 0.000 0.214 133 A C 1.922 179.511 177.584 0.007 0.000 1.183 133 A CA 0.827 52.867 52.037 0.005 0.000 0.622 133 A CB -0.208 18.795 19.000 0.004 0.000 0.824 133 A HN 0.101 nan 8.150 nan 0.000 0.444 134 L N 0.018 121.246 121.223 0.009 0.000 2.291 134 L HA 0.076 4.416 4.340 0.000 0.000 0.214 134 L C 1.460 178.337 176.870 0.012 0.000 1.120 134 L CA 0.820 55.667 54.840 0.012 0.000 0.799 134 L CB -0.469 41.599 42.059 0.015 0.000 0.925 134 L HN 0.255 nan 8.230 nan 0.000 0.446 135 S N -0.459 115.247 115.700 0.010 0.000 2.525 135 S HA 0.292 4.762 4.470 0.000 0.000 0.285 135 S C -0.237 174.369 174.600 0.010 0.000 1.283 135 S CA -0.488 57.718 58.200 0.010 0.000 1.072 135 S CB 0.151 63.356 63.200 0.008 0.000 0.867 135 S HN 0.114 nan 8.310 nan 0.000 0.492 136 V N 4.127 124.047 119.914 0.011 0.000 2.581 136 V HA 0.730 4.850 4.120 0.000 0.000 0.303 136 V C -2.752 173.348 176.094 0.010 0.000 1.041 136 V CA -2.789 59.517 62.300 0.010 0.000 0.907 136 V CB 0.999 32.829 31.823 0.011 0.000 0.994 136 V HN 0.610 nan 8.190 nan 0.000 0.442 137 P HA 0.185 nan 4.420 nan 0.000 0.268 137 P C -0.571 176.734 177.300 0.009 0.000 1.205 137 P CA -0.048 63.057 63.100 0.008 0.000 0.771 137 P CB 0.435 32.139 31.700 0.007 0.000 0.858 138 C N 3.481 122.786 119.300 0.009 0.000 2.225 138 C HA 0.499 4.959 4.460 0.000 0.000 0.323 138 C C 1.368 176.362 174.990 0.007 0.000 1.164 138 C CA 0.520 59.543 59.018 0.009 0.000 1.565 138 C CB -1.378 26.368 27.740 0.010 0.000 2.124 138 C HN 0.702 nan 8.230 nan 0.000 0.461 139 S N 2.396 118.100 115.700 0.006 0.000 2.663 139 S HA 0.172 4.642 4.470 0.000 0.000 0.247 139 S C -0.021 174.581 174.600 0.004 0.000 1.074 139 S CA 0.228 58.431 58.200 0.005 0.000 0.955 139 S CB -0.426 62.776 63.200 0.004 0.000 0.901 139 S HN 0.849 nan 8.310 nan 0.000 0.505 140 D N 1.540 121.942 120.400 0.004 0.000 2.344 140 D HA 0.456 5.096 4.640 0.000 0.000 0.244 140 D C 0.938 177.239 176.300 0.003 0.000 1.134 140 D CA -0.287 53.715 54.000 0.003 0.000 0.930 140 D CB 0.821 41.623 40.800 0.003 0.000 1.175 140 D HN -0.031 nan 8.370 nan 0.000 0.437 141 S N -0.116 115.585 115.700 0.002 0.000 2.399 141 S HA -0.205 4.265 4.470 0.000 0.000 0.231 141 S C 1.582 176.183 174.600 0.002 0.000 1.022 141 S CA 1.192 59.393 58.200 0.001 0.000 0.983 141 S CB -0.368 62.832 63.200 0.000 0.000 0.803 141 S HN 0.641 nan 8.310 nan 0.000 0.480 142 K N 1.114 121.515 120.400 0.002 0.000 2.057 142 K HA -0.046 4.274 4.320 0.000 0.000 0.206 142 K C 2.160 178.761 176.600 0.003 0.000 1.050 142 K CA 1.252 57.540 56.287 0.002 0.000 0.935 142 K CB -0.371 32.130 32.500 0.002 0.000 0.715 142 K HN 0.287 nan 8.250 nan 0.000 0.439 143 A N 1.677 124.499 122.820 0.004 0.000 1.873 143 A HA -0.106 4.214 4.320 0.000 0.000 0.215 143 A C 2.124 179.711 177.584 0.006 0.000 1.186 143 A CA 1.417 53.457 52.037 0.005 0.000 0.616 143 A CB -0.583 18.421 19.000 0.006 0.000 0.823 143 A HN 0.359 nan 8.150 nan 0.000 0.442 144 I N -0.118 120.455 120.570 0.005 0.000 2.151 144 I HA -0.344 3.826 4.170 0.000 0.000 0.243 144 I C 2.980 179.100 176.117 0.006 0.000 1.080 144 I CA 1.290 62.594 61.300 0.006 0.000 1.339 144 I CB -0.468 37.534 38.000 0.004 0.000 1.039 144 I HN 0.383 nan 8.210 nan 0.000 0.409 145 A N -0.059 122.763 122.820 0.004 0.000 1.978 145 A HA -0.274 4.046 4.320 0.000 0.000 0.220 145 A C 2.229 179.815 177.584 0.003 0.000 1.170 145 A CA 1.671 53.709 52.037 0.003 0.000 0.636 145 A CB -0.588 18.413 19.000 0.001 0.000 0.810 145 A HN 0.482 nan 8.150 nan 0.000 0.448 146 Q N -0.814 118.987 119.800 0.003 0.000 2.079 146 Q HA -0.106 4.234 4.340 0.000 0.000 0.200 146 Q C 2.262 178.265 176.000 0.005 0.000 0.974 146 Q CA 1.814 57.618 55.803 0.002 0.000 0.840 146 Q CB -0.358 28.381 28.738 0.002 0.000 0.898 146 Q HN 0.696 nan 8.270 nan 0.000 0.430 147 V N -0.946 118.974 119.914 0.009 0.000 2.323 147 V HA -0.070 4.050 4.120 0.000 0.000 0.244 147 V C 1.888 177.991 176.094 0.015 0.000 1.041 147 V CA 2.252 64.560 62.300 0.013 0.000 1.025 147 V CB -1.168 30.666 31.823 0.017 0.000 0.656 147 V HN 0.395 nan 8.190 nan 0.000 0.451 148 G N -0.005 108.803 108.800 0.014 0.000 2.553 148 G HA2 -0.333 3.627 3.960 0.000 0.000 0.218 148 G HA3 -0.333 3.627 3.960 0.000 0.000 0.218 148 G C 1.635 176.542 174.900 0.012 0.000 1.195 148 G CA 1.963 47.072 45.100 0.015 0.000 0.779 148 G HN 0.511 nan 8.290 nan 0.000 0.577 149 T N 0.838 115.396 114.554 0.007 0.000 2.684 149 T HA -0.135 4.215 4.350 0.000 0.000 0.267 149 T C 2.356 177.058 174.700 0.002 0.000 1.036 149 T CA 1.301 63.403 62.100 0.003 0.000 1.148 149 T CB -0.178 68.689 68.868 -0.001 0.000 0.863 149 T HN 0.148 nan 8.240 nan 0.000 0.436 150 I N 0.582 121.154 120.570 0.003 0.000 2.315 150 I HA -0.089 4.081 4.170 0.000 0.000 0.248 150 I C 2.614 178.735 176.117 0.006 0.000 1.117 150 I CA 0.844 62.145 61.300 0.001 0.000 1.404 150 I CB -0.329 37.671 38.000 0.001 0.000 1.071 150 I HN 0.126 nan 8.210 nan 0.000 0.419 151 S N 0.280 115.988 115.700 0.013 0.000 2.382 151 S HA -0.075 4.395 4.470 0.000 0.000 0.228 151 S C 1.765 176.376 174.600 0.017 0.000 1.027 151 S CA 1.089 59.301 58.200 0.019 0.000 0.991 151 S CB -0.339 62.879 63.200 0.030 0.000 0.823 151 S HN 0.454 nan 8.310 nan 0.000 0.469 152 A N 1.247 124.075 122.820 0.014 0.000 2.840 152 A HA 0.351 4.671 4.320 0.000 0.000 0.269 152 A C 0.598 178.186 177.584 0.006 0.000 1.439 152 A CA 0.030 52.075 52.037 0.012 0.000 1.083 152 A CB -1.445 17.562 19.000 0.012 0.000 1.019 152 A HN 0.772 nan 8.150 nan 0.000 0.607 153 N N 0.278 118.981 118.700 0.004 0.000 2.716 153 N HA -0.250 4.490 4.740 0.000 0.000 0.250 153 N C -0.082 175.425 175.510 -0.005 0.000 1.033 153 N CA 0.507 53.557 53.050 -0.001 0.000 0.727 153 N CB -0.712 37.775 38.487 -0.000 0.000 0.950 153 N HN 0.515 nan 8.380 nan 0.000 0.541 154 S N -0.914 114.782 115.700 -0.006 0.000 3.808 154 S HA -0.169 4.301 4.470 0.000 0.000 0.312 154 S C -0.675 173.920 174.600 -0.009 0.000 1.134 154 S CA 0.671 58.864 58.200 -0.011 0.000 0.884 154 S CB -0.812 62.377 63.200 -0.018 0.000 0.918 154 S HN 0.631 nan 8.310 nan 0.000 0.523 155 D N 1.351 121.749 120.400 -0.004 0.000 2.456 155 D HA 0.283 4.923 4.640 0.000 0.000 0.219 155 D C 1.157 177.456 176.300 -0.002 0.000 1.126 155 D CA -0.350 53.648 54.000 -0.003 0.000 0.890 155 D CB 0.506 41.306 40.800 0.000 0.000 1.025 155 D HN 0.428 nan 8.370 nan 0.000 0.511 156 E N 0.880 121.077 120.200 -0.004 0.000 2.219 156 E HA -0.153 4.197 4.350 0.000 0.000 0.198 156 E C 1.190 177.788 176.600 -0.002 0.000 0.998 156 E CA 1.230 57.627 56.400 -0.004 0.000 0.818 156 E CB 0.373 30.070 29.700 -0.006 0.000 0.741 156 E HN 0.473 nan 8.360 nan 0.000 0.477 157 T N 0.268 114.821 114.554 -0.002 0.000 2.896 157 T HA -0.071 4.279 4.350 0.000 0.000 0.263 157 T C 2.139 176.839 174.700 0.001 0.000 1.050 157 T CA 0.779 62.878 62.100 -0.001 0.000 1.140 157 T CB -0.088 68.780 68.868 -0.001 0.000 0.877 157 T HN -0.013 nan 8.240 nan 0.000 0.457 158 V N 1.784 121.699 119.914 0.002 0.000 2.307 158 V HA -0.055 4.065 4.120 0.000 0.000 0.245 158 V C 2.939 179.035 176.094 0.004 0.000 1.045 158 V CA 1.922 64.225 62.300 0.005 0.000 1.024 158 V CB -1.530 30.298 31.823 0.008 0.000 0.651 158 V HN 0.566 nan 8.190 nan 0.000 0.449 159 G N 0.519 109.322 108.800 0.004 0.000 2.491 159 G HA2 -0.396 3.564 3.960 0.000 0.000 0.218 159 G HA3 -0.396 3.564 3.960 0.000 0.000 0.218 159 G C 1.582 176.483 174.900 0.002 0.000 1.180 159 G CA 1.477 46.579 45.100 0.004 0.000 0.774 159 G HN 0.555 nan 8.290 nan 0.000 0.562 160 K N -0.258 120.143 120.400 0.000 0.000 2.063 160 K HA -0.014 4.306 4.320 0.000 0.000 0.208 160 K C 2.346 178.946 176.600 -0.001 0.000 1.048 160 K CA 1.183 57.470 56.287 -0.000 0.000 0.928 160 K CB -0.457 32.043 32.500 -0.001 0.000 0.713 160 K HN 0.227 nan 8.250 nan 0.000 0.442 161 L N 0.958 122.181 121.223 -0.000 0.000 2.056 161 L HA -0.007 4.333 4.340 0.000 0.000 0.207 161 L C 2.088 178.957 176.870 -0.002 0.000 1.078 161 L CA 1.459 56.299 54.840 -0.001 0.000 0.749 161 L CB -0.303 41.756 42.059 -0.000 0.000 0.901 161 L HN 0.299 nan 8.230 nan 0.000 0.433 162 I N -1.084 119.485 120.570 -0.001 0.000 2.142 162 I HA -0.339 3.831 4.170 0.000 0.000 0.240 162 I C 2.578 178.693 176.117 -0.003 0.000 1.078 162 I CA 1.285 62.583 61.300 -0.003 0.000 1.343 162 I CB -0.573 37.427 38.000 -0.000 0.000 1.046 162 I HN 0.286 nan 8.210 nan 0.000 0.405 163 A N 0.168 122.987 122.820 -0.001 0.000 1.892 163 A HA -0.298 4.022 4.320 0.000 0.000 0.218 163 A C 2.257 179.840 177.584 -0.002 0.000 1.188 163 A CA 2.079 54.116 52.037 -0.001 0.000 0.631 163 A CB -0.763 18.237 19.000 -0.000 0.000 0.822 163 A HN 0.470 nan 8.150 nan 0.000 0.447 164 E N -0.697 119.501 120.200 -0.002 0.000 2.058 164 E HA -0.164 4.186 4.350 0.000 0.000 0.194 164 E C 2.398 178.996 176.600 -0.004 0.000 0.997 164 E CA 1.029 57.427 56.400 -0.003 0.000 0.801 164 E CB -0.265 29.433 29.700 -0.003 0.000 0.746 164 E HN 0.626 nan 8.360 nan 0.000 0.450 165 A N 1.222 124.039 122.820 -0.005 0.000 1.858 165 A HA -0.189 4.131 4.320 0.000 0.000 0.216 165 A C 2.188 179.768 177.584 -0.007 0.000 1.190 165 A CA 1.423 53.456 52.037 -0.006 0.000 0.617 165 A CB -0.517 18.479 19.000 -0.008 0.000 0.827 165 A HN 0.158 nan 8.150 nan 0.000 0.443 166 M N -0.749 118.847 119.600 -0.008 0.000 2.144 166 M HA -0.224 4.256 4.480 0.000 0.000 0.260 166 M C 1.815 178.112 176.300 -0.006 0.000 1.067 166 M CA 2.151 57.447 55.300 -0.008 0.000 1.095 166 M CB -0.772 31.824 32.600 -0.007 0.000 1.365 166 M HN 0.507 nan 8.290 nan 0.000 0.406 167 D N 0.152 120.549 120.400 -0.004 0.000 2.178 167 D HA -0.114 4.526 4.640 0.000 0.000 0.202 167 D C 1.897 178.195 176.300 -0.004 0.000 0.974 167 D CA 1.291 55.289 54.000 -0.003 0.000 0.841 167 D CB 0.262 41.060 40.800 -0.003 0.000 0.953 167 D HN 0.155 nan 8.370 nan 0.000 0.478 168 K N -0.711 119.686 120.400 -0.004 0.000 2.121 168 K HA 0.046 4.366 4.320 0.000 0.000 0.203 168 K C 1.934 178.532 176.600 -0.004 0.000 1.041 168 K CA 0.840 57.125 56.287 -0.004 0.000 0.969 168 K CB 0.148 32.646 32.500 -0.004 0.000 0.799 168 K HN 0.090 nan 8.250 nan 0.000 0.456 169 V N -1.806 118.105 119.914 -0.005 0.000 3.141 169 V HA 0.214 4.334 4.120 0.000 0.000 0.265 169 V C 0.991 177.081 176.094 -0.006 0.000 1.126 169 V CA 0.728 63.025 62.300 -0.005 0.000 1.141 169 V CB -1.292 30.527 31.823 -0.007 0.000 0.743 169 V HN 0.424 nan 8.190 nan 0.000 0.492 170 G N 1.074 109.870 108.800 -0.006 0.000 2.527 170 G HA2 -0.256 3.704 3.960 0.000 0.000 0.227 170 G HA3 -0.256 3.704 3.960 0.000 0.000 0.227 170 G C 0.301 175.197 174.900 -0.006 0.000 1.291 170 G CA 0.301 45.398 45.100 -0.005 0.000 0.904 170 G HN 0.409 nan 8.290 nan 0.000 0.577 171 K N 0.402 120.798 120.400 -0.006 0.000 2.242 171 K HA 0.198 4.518 4.320 0.000 0.000 0.200 171 K C 1.559 178.154 176.600 -0.008 0.000 1.050 171 K CA 1.127 57.410 56.287 -0.006 0.000 0.981 171 K CB 0.398 32.895 32.500 -0.004 0.000 0.795 171 K HN 0.481 nan 8.250 nan 0.000 0.477 172 E N 0.974 121.169 120.200 -0.009 0.000 2.496 172 E HA 0.110 4.460 4.350 0.000 0.000 0.202 172 E C -0.195 176.399 176.600 -0.012 0.000 1.021 172 E CA -0.496 55.898 56.400 -0.010 0.000 1.015 172 E CB 1.015 30.709 29.700 -0.010 0.000 1.102 172 E HN 0.199 nan 8.360 nan 0.000 0.452 173 G N 0.380 109.173 108.800 -0.011 0.000 2.400 173 G HA2 0.438 4.398 3.960 0.000 0.000 0.333 173 G HA3 0.438 4.398 3.960 0.000 0.000 0.333 173 G C -0.197 174.694 174.900 -0.015 0.000 1.143 173 G CA -0.460 44.633 45.100 -0.011 0.000 0.914 173 G HN 0.006 nan 8.290 nan 0.000 0.480 174 V N 1.175 121.081 119.914 -0.014 0.000 2.567 174 V HA 0.518 4.638 4.120 0.000 0.000 0.289 174 V C -0.020 176.064 176.094 -0.018 0.000 1.049 174 V CA -0.537 61.753 62.300 -0.018 0.000 0.969 174 V CB 1.322 33.137 31.823 -0.013 0.000 0.995 174 V HN 0.563 nan 8.190 nan 0.000 0.471 175 I N 3.336 123.889 120.570 -0.027 0.000 2.447 175 I HA 0.530 4.700 4.170 0.000 0.000 0.287 175 I C 0.025 176.123 176.117 -0.030 0.000 1.023 175 I CA -0.119 61.165 61.300 -0.027 0.000 1.083 175 I CB 2.264 40.245 38.000 -0.032 0.000 1.245 175 I HN 0.803 nan 8.210 nan 0.000 0.434 176 T N 2.954 117.499 114.554 -0.016 0.000 2.908 176 T HA 0.720 5.070 4.350 0.000 0.000 0.290 176 T C -0.576 174.122 174.700 -0.003 0.000 1.034 176 T CA -0.912 61.182 62.100 -0.009 0.000 1.010 176 T CB 2.267 71.137 68.868 0.003 0.000 1.068 176 T HN 0.367 nan 8.240 nan 0.000 0.481 177 V N 1.206 121.122 119.914 0.004 0.000 2.540 177 V HA 0.848 4.968 4.120 0.000 0.000 0.302 177 V C -1.027 175.076 176.094 0.015 0.000 1.035 177 V CA -0.635 61.670 62.300 0.009 0.000 0.873 177 V CB 1.210 33.041 31.823 0.013 0.000 0.992 177 V HN 1.191 nan 8.190 nan 0.000 0.428 178 E N 3.070 123.277 120.200 0.012 0.000 2.446 178 E HA 0.505 4.855 4.350 0.000 0.000 0.276 178 E C -1.702 174.905 176.600 0.011 0.000 0.969 178 E CA -1.107 55.300 56.400 0.013 0.000 0.800 178 E CB 1.348 31.055 29.700 0.011 0.000 1.341 178 E HN 0.548 nan 8.360 nan 0.000 0.460 179 D N 0.941 121.348 120.400 0.011 0.000 2.458 179 D HA 0.222 4.862 4.640 0.000 0.000 0.243 179 D C 0.223 176.527 176.300 0.006 0.000 1.146 179 D CA 0.504 54.510 54.000 0.009 0.000 0.877 179 D CB 0.991 41.797 40.800 0.010 0.000 1.176 179 D HN 0.563 nan 8.370 nan 0.000 0.461 180 G N 0.243 109.047 108.800 0.006 0.000 2.528 180 G HA2 0.340 4.300 3.960 0.000 0.000 0.289 180 G HA3 0.340 4.300 3.960 0.000 0.000 0.289 180 G C 1.093 175.994 174.900 0.003 0.000 1.192 180 G CA -0.242 44.860 45.100 0.003 0.000 0.921 180 G HN 0.421 nan 8.290 nan 0.000 0.512 181 T N -1.405 113.150 114.554 0.001 0.000 2.852 181 T HA 0.207 4.557 4.350 0.000 0.000 0.256 181 T C 1.546 176.247 174.700 0.001 0.000 1.038 181 T CA 1.007 63.108 62.100 0.001 0.000 1.141 181 T CB -0.366 68.501 68.868 -0.001 0.000 0.869 181 T HN 0.712 nan 8.240 nan 0.000 0.439 182 G N 0.388 109.189 108.800 0.001 0.000 2.695 182 G HA2 0.563 4.523 3.960 0.000 0.000 0.213 182 G HA3 0.563 4.523 3.960 0.000 0.000 0.213 182 G C 0.481 175.382 174.900 0.001 0.000 1.406 182 G CA -0.593 44.508 45.100 0.001 0.000 1.049 182 G HN 0.294 nan 8.290 nan 0.000 0.573 183 L N -0.462 120.762 121.223 0.001 0.000 2.463 183 L HA 0.166 4.506 4.340 0.000 0.000 0.219 183 L C 0.543 177.413 176.870 0.001 0.000 1.088 183 L CA 0.515 55.355 54.840 0.001 0.000 0.849 183 L CB -0.160 41.899 42.059 0.001 0.000 1.012 183 L HN 0.422 nan 8.230 nan 0.000 0.468 184 Q N -0.160 119.640 119.800 0.001 0.000 2.214 184 Q HA 0.275 4.615 4.340 0.000 0.000 0.251 184 Q C -0.684 175.316 176.000 0.001 0.000 0.936 184 Q CA -0.548 55.255 55.803 0.000 0.000 0.894 184 Q CB 0.743 29.481 28.738 -0.000 0.000 1.252 184 Q HN -0.043 nan 8.270 nan 0.000 0.448 185 D N 1.241 121.642 120.400 0.001 0.000 2.372 185 D HA 0.125 4.765 4.640 0.000 0.000 0.243 185 D C -0.538 175.762 176.300 0.000 0.000 1.121 185 D CA 0.160 54.161 54.000 0.001 0.000 0.898 185 D CB 0.942 41.743 40.800 0.002 0.000 1.202 185 D HN 0.524 nan 8.370 nan 0.000 0.428 186 E N 0.976 121.176 120.200 0.000 0.000 2.308 186 E HA 0.372 4.722 4.350 0.000 0.000 0.275 186 E C -1.771 174.828 176.600 -0.001 0.000 0.890 186 E CA -0.812 55.588 56.400 -0.001 0.000 0.754 186 E CB 1.873 31.572 29.700 -0.001 0.000 1.207 186 E HN 0.161 nan 8.360 nan 0.000 0.426 187 L N 4.000 125.222 121.223 -0.002 0.000 2.305 187 L HA 0.505 4.845 4.340 0.000 0.000 0.284 187 L C -1.410 175.458 176.870 -0.003 0.000 1.013 187 L CA -0.247 54.591 54.840 -0.003 0.000 0.819 187 L CB 1.363 43.420 42.059 -0.003 0.000 1.227 187 L HN 0.414 nan 8.230 nan 0.000 0.417 188 D N 4.019 124.417 120.400 -0.004 0.000 2.192 188 D HA 0.528 5.168 4.640 0.000 0.000 0.246 188 D C -0.970 175.327 176.300 -0.005 0.000 1.042 188 D CA 0.010 54.007 54.000 -0.005 0.000 0.847 188 D CB 2.488 43.285 40.800 -0.005 0.000 1.186 188 D HN 0.291 nan 8.370 nan 0.000 0.461 189 V N 2.511 122.422 119.914 -0.005 0.000 2.447 189 V HA 0.196 4.316 4.120 0.000 0.000 0.292 189 V C -0.021 176.071 176.094 -0.004 0.000 1.021 189 V CA -0.857 61.440 62.300 -0.004 0.000 0.850 189 V CB 1.906 33.727 31.823 -0.004 0.000 1.005 189 V HN 0.276 nan 8.190 nan 0.000 0.426 190 V N 4.479 124.391 119.914 -0.003 0.000 2.488 190 V HA 0.337 4.457 4.120 0.000 0.000 0.277 190 V C 0.342 176.436 176.094 0.001 0.000 1.046 190 V CA -0.469 61.830 62.300 -0.002 0.000 0.986 190 V CB 1.195 33.018 31.823 -0.001 0.000 0.989 190 V HN 0.755 nan 8.190 nan 0.000 0.475 191 E N 3.267 123.467 120.200 0.001 0.000 2.197 191 E HA 0.554 4.904 4.350 0.000 0.000 0.281 191 E C 0.723 177.327 176.600 0.008 0.000 0.995 191 E CA 0.768 57.169 56.400 0.003 0.000 0.808 191 E CB 1.666 31.367 29.700 0.000 0.000 1.093 191 E HN 0.966 nan 8.360 nan 0.000 0.394 192 G N 3.167 111.973 108.800 0.010 0.000 2.539 192 G HA2 -0.300 3.660 3.960 0.000 0.000 0.256 192 G HA3 -0.300 3.660 3.960 0.000 0.000 0.256 192 G C -0.153 174.764 174.900 0.027 0.000 1.233 192 G CA -0.002 45.108 45.100 0.016 0.000 0.936 192 G HN 0.509 nan 8.290 nan 0.000 0.571 193 M N 1.327 120.953 119.600 0.043 0.000 2.268 193 M HA 0.621 5.101 4.480 0.000 0.000 0.344 193 M C -0.286 176.079 176.300 0.109 0.000 1.106 193 M CA -0.466 54.878 55.300 0.074 0.000 1.010 193 M CB 1.390 34.038 32.600 0.080 0.000 1.649 193 M HN 0.869 nan 8.290 nan 0.000 0.443 194 Q N 5.054 124.931 119.800 0.128 0.000 2.320 194 Q HA 0.507 4.847 4.340 0.000 0.000 0.272 194 Q C -2.212 173.899 176.000 0.184 0.000 1.023 194 Q CA -0.664 55.201 55.803 0.104 0.000 0.855 194 Q CB 2.019 30.755 28.738 -0.004 0.000 1.367 194 Q HN 0.683 nan 8.270 nan 0.000 0.406 195 F N -0.235 119.706 119.950 -0.015 0.000 2.598 195 F HA 0.545 5.072 4.527 0.000 0.000 0.327 195 F C -0.269 175.521 175.800 -0.017 0.000 1.057 195 F CA -1.344 56.644 58.000 -0.019 0.000 0.957 195 F CB 0.901 39.886 39.000 -0.026 0.000 1.278 195 F HN 0.352 nan 8.300 nan 0.000 0.484 196 D N 1.880 122.339 120.400 0.097 0.000 2.600 196 D HA 0.153 4.793 4.640 0.000 0.000 0.226 196 D C -0.507 175.777 176.300 -0.026 0.000 1.119 196 D CA 0.431 54.432 54.000 0.001 0.000 1.051 196 D CB -0.029 40.804 40.800 0.055 0.000 1.106 196 D HN 0.354 nan 8.370 nan 0.000 0.491 197 R N 0.020 120.400 120.500 -0.200 0.000 2.510 197 R HA 0.432 4.772 4.340 0.000 0.000 0.294 197 R C -0.203 175.957 176.300 -0.233 0.000 1.056 197 R CA -0.509 55.492 56.100 -0.165 0.000 0.918 197 R CB 1.633 31.881 30.300 -0.086 0.000 1.187 197 R HN 0.200 nan 8.270 nan 0.000 0.437 198 G N 2.201 110.886 108.800 -0.192 0.000 2.451 198 G HA2 0.313 4.273 3.960 0.000 0.000 0.303 198 G HA3 0.313 4.273 3.960 0.000 0.000 0.303 198 G C -0.777 174.005 174.900 -0.196 0.000 1.166 198 G CA -0.521 44.384 45.100 -0.325 0.000 0.884 198 G HN 0.541 nan 8.290 nan 0.000 0.514 199 Y N -0.257 120.044 120.300 0.002 0.000 2.702 199 Y HA 0.201 4.751 4.550 -0.000 0.000 0.336 199 Y C 1.147 177.060 175.900 0.022 0.000 1.235 199 Y CA -0.942 57.181 58.100 0.039 0.000 1.492 199 Y CB 0.305 38.815 38.460 0.084 0.000 1.308 199 Y HN 0.230 nan 8.280 nan 0.000 0.589 200 L N 1.564 122.926 121.223 0.232 0.000 2.270 200 L HA 0.022 4.362 4.340 0.000 0.000 0.210 200 L C 1.115 178.059 176.870 0.124 0.000 1.104 200 L CA 0.985 55.909 54.840 0.141 0.000 0.804 200 L CB 0.040 42.149 42.059 0.083 0.000 0.937 200 L HN 0.754 nan 8.230 nan 0.000 0.450 201 S N 0.343 116.120 115.700 0.129 0.000 2.528 201 S HA 0.291 4.761 4.470 0.000 0.000 0.303 201 S C -1.566 172.980 174.600 -0.090 0.000 1.123 201 S CA -1.612 56.610 58.200 0.036 0.000 1.138 201 S CB 0.823 64.047 63.200 0.040 0.000 0.984 201 S HN -0.054 nan 8.310 nan 0.000 0.474 202 P HA -0.060 nan 4.420 nan 0.000 0.223 202 P C 0.187 177.248 177.300 -0.397 0.000 1.151 202 P CA 0.719 63.499 63.100 -0.533 0.000 0.787 202 P CB -0.133 31.371 31.700 -0.326 0.000 0.788 203 Y N -1.249 118.999 120.300 -0.086 0.000 2.550 203 Y HA 0.185 4.735 4.550 -0.000 0.000 0.351 203 Y C 1.486 177.412 175.900 0.043 0.000 1.160 203 Y CA -0.257 57.824 58.100 -0.033 0.000 1.337 203 Y CB -1.438 37.023 38.460 0.003 0.000 1.196 203 Y HN -0.008 nan 8.280 nan 0.000 0.498 204 F N -1.173 118.712 119.950 -0.109 0.000 2.856 204 F HA 0.372 4.899 4.527 0.000 0.000 0.338 204 F C 0.305 176.023 175.800 -0.136 0.000 1.100 204 F CA -0.409 57.533 58.000 -0.096 0.000 1.150 204 F CB 0.462 39.414 39.000 -0.080 0.000 1.101 204 F HN -0.206 nan 8.300 nan 0.000 0.548 205 I N 4.020 124.357 120.570 -0.389 0.000 2.845 205 I HA -0.150 4.020 4.170 0.000 0.000 0.290 205 I C 0.860 176.776 176.117 -0.334 0.000 1.202 205 I CA 0.464 61.535 61.300 -0.381 0.000 1.406 205 I CB 0.214 38.060 38.000 -0.257 0.000 1.383 205 I HN 0.361 nan 8.210 nan 0.000 0.549 206 N N 6.876 125.343 118.700 -0.388 0.000 2.295 206 N HA 0.046 4.786 4.740 0.000 0.000 0.221 206 N C -0.320 175.099 175.510 -0.152 0.000 1.129 206 N CA -0.142 52.745 53.050 -0.273 0.000 0.836 206 N CB 0.572 38.865 38.487 -0.324 0.000 1.040 206 N HN 0.465 nan 8.380 nan 0.000 0.494 207 K N 1.015 121.342 120.400 -0.122 0.000 2.790 207 K HA 0.253 4.573 4.320 0.000 0.000 0.253 207 K C -2.381 174.189 176.600 -0.049 0.000 1.082 207 K CA -1.018 55.227 56.287 -0.070 0.000 1.067 207 K CB 2.458 34.925 32.500 -0.054 0.000 1.284 207 K HN -0.142 nan 8.250 nan 0.000 0.529 208 P HA -0.085 nan 4.420 nan 0.000 0.228 208 P C 0.671 177.964 177.300 -0.011 0.000 1.151 208 P CA 0.923 64.009 63.100 -0.024 0.000 0.770 208 P CB 0.588 32.276 31.700 -0.020 0.000 0.786 209 E N -0.641 119.551 120.200 -0.013 0.000 2.047 209 E HA -0.121 4.229 4.350 0.000 0.000 0.191 209 E C 1.863 178.461 176.600 -0.003 0.000 0.987 209 E CA 2.000 58.395 56.400 -0.008 0.000 0.799 209 E CB -1.164 28.530 29.700 -0.010 0.000 0.752 209 E HN 0.336 nan 8.360 nan 0.000 0.449 210 T N -3.347 111.205 114.554 -0.003 0.000 3.065 210 T HA 0.250 4.600 4.350 0.000 0.000 0.252 210 T C 1.462 176.174 174.700 0.019 0.000 1.099 210 T CA 0.259 62.362 62.100 0.004 0.000 1.063 210 T CB 0.261 69.129 68.868 -0.000 0.000 0.948 210 T HN 0.274 nan 8.240 nan 0.000 0.506 211 G N 1.176 109.990 108.800 0.023 0.000 2.246 211 G HA2 0.144 4.104 3.960 0.000 0.000 0.273 211 G HA3 0.144 4.104 3.960 0.000 0.000 0.273 211 G C 0.051 175.020 174.900 0.115 0.000 1.055 211 G CA -0.074 45.059 45.100 0.054 0.000 0.851 211 G HN 1.240 nan 8.290 nan 0.000 0.500 212 A N -1.333 121.529 122.820 0.070 0.000 2.556 212 A HA 0.877 5.197 4.320 0.000 0.000 0.294 212 A C -0.240 177.354 177.584 0.017 0.000 1.091 212 A CA -0.236 51.866 52.037 0.108 0.000 0.704 212 A CB 1.894 20.929 19.000 0.058 0.000 1.300 212 A HN 1.293 nan 8.150 nan 0.000 0.406 213 V N 1.141 121.080 119.914 0.043 0.000 2.498 213 V HA 0.379 4.499 4.120 0.000 0.000 0.279 213 V C 0.024 176.098 176.094 -0.033 0.000 1.048 213 V CA -0.006 62.251 62.300 -0.070 0.000 0.967 213 V CB 1.012 32.828 31.823 -0.012 0.000 0.988 213 V HN 0.882 nan 8.190 nan 0.000 0.473 214 E N 4.784 124.942 120.200 -0.070 0.000 3.108 214 E HA 0.350 4.700 4.350 0.000 0.000 0.228 214 E C -1.088 175.499 176.600 -0.021 0.000 1.176 214 E CA -0.323 56.058 56.400 -0.031 0.000 0.881 214 E CB 1.181 30.861 29.700 -0.034 0.000 1.354 214 E HN 0.581 nan 8.360 nan 0.000 0.400 215 L N 2.180 123.413 121.223 0.016 0.000 2.369 215 L HA 0.190 4.530 4.340 0.000 0.000 0.279 215 L C 0.547 177.433 176.870 0.026 0.000 1.108 215 L CA -0.216 54.650 54.840 0.043 0.000 0.852 215 L CB 0.164 42.287 42.059 0.107 0.000 1.169 215 L HN 0.335 nan 8.230 nan 0.000 0.452 216 E N 2.910 123.119 120.200 0.015 0.000 2.316 216 E HA 0.013 4.363 4.350 0.000 0.000 0.275 216 E C 0.457 177.051 176.600 -0.010 0.000 1.029 216 E CA 0.048 56.448 56.400 0.000 0.000 0.871 216 E CB 0.900 30.598 29.700 -0.003 0.000 1.022 216 E HN 0.491 nan 8.360 nan 0.000 0.418 217 S N 4.527 120.210 115.700 -0.029 0.000 3.280 217 S HA -0.125 4.345 4.470 0.000 0.000 0.349 217 S C -2.435 172.101 174.600 -0.107 0.000 0.936 217 S CA 0.335 58.495 58.200 -0.067 0.000 1.301 217 S CB -0.885 62.270 63.200 -0.075 0.000 0.907 217 S HN 0.463 nan 8.310 nan 0.000 0.516 218 P HA 0.562 nan 4.420 nan 0.000 0.285 218 P C -0.061 177.173 177.300 -0.110 0.000 1.285 218 P CA -0.886 62.188 63.100 -0.044 0.000 0.854 218 P CB 0.471 32.206 31.700 0.058 0.000 1.180 219 F N -0.039 119.933 119.950 0.037 0.000 2.380 219 F HA 0.389 4.916 4.527 0.000 0.000 0.325 219 F C 0.824 176.645 175.800 0.036 0.000 1.136 219 F CA 0.215 58.233 58.000 0.030 0.000 1.171 219 F CB 0.349 39.363 39.000 0.023 0.000 1.230 219 F HN 0.021 nan 8.300 nan 0.000 0.554 220 I N 3.413 124.139 120.570 0.260 0.000 2.447 220 I HA 0.257 4.427 4.170 0.000 0.000 0.287 220 I C -1.374 174.813 176.117 0.117 0.000 1.023 220 I CA -0.774 60.618 61.300 0.154 0.000 1.083 220 I CB 1.842 39.909 38.000 0.112 0.000 1.245 220 I HN 0.241 nan 8.210 nan 0.000 0.434 221 L N 7.994 129.268 121.223 0.084 0.000 2.265 221 L HA 0.517 4.857 4.340 0.000 0.000 0.289 221 L C -0.989 175.901 176.870 0.033 0.000 1.033 221 L CA -0.084 54.782 54.840 0.044 0.000 0.814 221 L CB 0.746 42.819 42.059 0.024 0.000 1.203 221 L HN 0.461 nan 8.230 nan 0.000 0.423 222 L N 6.138 127.372 121.223 0.018 0.000 2.262 222 L HA 0.667 5.007 4.340 0.000 0.000 0.288 222 L C 0.061 176.928 176.870 -0.005 0.000 1.035 222 L CA -0.525 54.316 54.840 0.002 0.000 0.820 222 L CB 1.195 43.247 42.059 -0.011 0.000 1.204 222 L HN 0.773 nan 8.230 nan 0.000 0.424 223 A N 1.726 124.543 122.820 -0.004 0.000 2.273 223 A HA 0.276 4.596 4.320 0.000 0.000 0.315 223 A C 0.401 177.979 177.584 -0.010 0.000 1.256 223 A CA -0.552 51.481 52.037 -0.006 0.000 0.851 223 A CB 1.053 20.052 19.000 -0.001 0.000 1.172 223 A HN 0.776 nan 8.150 nan 0.000 0.508 224 D N 2.006 122.398 120.400 -0.013 0.000 2.097 224 D HA -0.087 4.553 4.640 0.000 0.000 0.197 224 D C 0.876 177.173 176.300 -0.006 0.000 0.984 224 D CA 1.635 55.626 54.000 -0.014 0.000 0.826 224 D CB 0.023 40.815 40.800 -0.015 0.000 0.973 224 D HN 0.673 nan 8.370 nan 0.000 0.460 225 K N 0.660 121.058 120.400 -0.003 0.000 2.219 225 K HA 0.143 4.463 4.320 0.000 0.000 0.258 225 K C -0.016 176.587 176.600 0.005 0.000 1.008 225 K CA -0.582 55.706 56.287 0.001 0.000 0.928 225 K CB 0.346 32.846 32.500 0.000 0.000 0.983 225 K HN -0.065 nan 8.250 nan 0.000 0.484 226 K N 1.448 121.854 120.400 0.008 0.000 2.185 226 K HA 0.289 4.609 4.320 0.000 0.000 0.271 226 K C -0.531 176.074 176.600 0.008 0.000 1.013 226 K CA -0.476 55.818 56.287 0.012 0.000 0.943 226 K CB 0.554 33.064 32.500 0.016 0.000 0.998 226 K HN 0.518 nan 8.250 nan 0.000 0.468 227 I N 1.342 121.917 120.570 0.009 0.000 2.437 227 I HA 0.048 4.218 4.170 0.000 0.000 0.298 227 I C 0.738 176.858 176.117 0.006 0.000 0.984 227 I CA -0.146 61.157 61.300 0.004 0.000 1.214 227 I CB 1.912 39.913 38.000 0.002 0.000 1.365 227 I HN 0.875 nan 8.210 nan 0.000 0.469 228 S N 2.761 118.462 115.700 0.003 0.000 2.612 228 S HA 0.244 4.714 4.470 0.000 0.000 0.278 228 S C -0.312 174.289 174.600 0.001 0.000 1.082 228 S CA -0.220 57.982 58.200 0.004 0.000 1.185 228 S CB 0.209 63.412 63.200 0.005 0.000 1.077 228 S HN 0.746 nan 8.310 nan 0.000 0.585 229 N N 1.245 119.944 118.700 -0.002 0.000 2.342 229 N HA 0.411 5.151 4.740 0.000 0.000 0.293 229 N C 0.142 175.648 175.510 -0.007 0.000 1.026 229 N CA -0.563 52.485 53.050 -0.004 0.000 0.857 229 N CB 1.328 39.813 38.487 -0.003 0.000 1.256 229 N HN 0.022 nan 8.380 nan 0.000 0.484 230 I N 1.310 121.875 120.570 -0.008 0.000 2.454 230 I HA -0.110 4.060 4.170 0.000 0.000 0.254 230 I C 2.242 178.352 176.117 -0.013 0.000 1.156 230 I CA 1.203 62.496 61.300 -0.012 0.000 1.433 230 I CB -0.116 37.877 38.000 -0.012 0.000 1.082 230 I HN 0.600 nan 8.210 nan 0.000 0.432 231 R N 0.803 121.297 120.500 -0.010 0.000 2.136 231 R HA -0.289 4.051 4.340 0.000 0.000 0.242 231 R C 2.048 178.340 176.300 -0.013 0.000 1.131 231 R CA 2.569 58.663 56.100 -0.011 0.000 0.937 231 R CB -0.457 29.838 30.300 -0.008 0.000 0.863 231 R HN 0.446 nan 8.270 nan 0.000 0.435 232 E N -0.428 119.765 120.200 -0.013 0.000 2.265 232 E HA -0.178 4.172 4.350 0.000 0.000 0.196 232 E C 1.953 178.542 176.600 -0.019 0.000 0.996 232 E CA 1.199 57.591 56.400 -0.015 0.000 0.832 232 E CB 0.025 29.718 29.700 -0.012 0.000 0.756 232 E HN 0.342 nan 8.360 nan 0.000 0.491 233 M N -0.206 119.381 119.600 -0.020 0.000 2.160 233 M HA -0.020 4.460 4.480 0.000 0.000 0.264 233 M C 2.217 178.500 176.300 -0.029 0.000 1.073 233 M CA 1.050 56.334 55.300 -0.026 0.000 1.142 233 M CB -0.806 31.779 32.600 -0.026 0.000 1.358 233 M HN 0.174 nan 8.290 nan 0.000 0.422 234 L N 0.063 121.271 121.223 -0.025 0.000 2.030 234 L HA -0.279 4.061 4.340 0.000 0.000 0.222 234 L C -0.377 176.476 176.870 -0.029 0.000 1.082 234 L CA 2.080 56.905 54.840 -0.024 0.000 0.785 234 L CB -2.334 39.714 42.059 -0.019 0.000 0.895 234 L HN 0.182 nan 8.230 nan 0.000 0.439 235 P HA -0.145 nan 4.420 nan 0.000 0.215 235 P C 1.775 179.046 177.300 -0.049 0.000 1.153 235 P CA 1.372 64.451 63.100 -0.035 0.000 0.853 235 P CB 0.036 31.717 31.700 -0.031 0.000 0.788 236 V N -0.708 119.173 119.914 -0.055 0.000 2.300 236 V HA -0.136 3.984 4.120 0.000 0.000 0.241 236 V C 2.478 178.522 176.094 -0.083 0.000 1.034 236 V CA 1.060 63.313 62.300 -0.079 0.000 1.021 236 V CB -1.491 30.287 31.823 -0.074 0.000 0.662 236 V HN 0.004 nan 8.190 nan 0.000 0.458 237 L N 0.220 121.408 121.223 -0.059 0.000 2.103 237 L HA -0.303 4.037 4.340 0.000 0.000 0.215 237 L C 2.677 179.520 176.870 -0.044 0.000 1.080 237 L CA 2.214 57.026 54.840 -0.047 0.000 0.764 237 L CB -0.185 41.853 42.059 -0.035 0.000 0.890 237 L HN 0.467 nan 8.230 nan 0.000 0.435 238 E N -0.162 120.012 120.200 -0.043 0.000 2.028 238 E HA -0.201 4.149 4.350 0.000 0.000 0.191 238 E C 2.046 178.619 176.600 -0.045 0.000 0.988 238 E CA 1.608 57.987 56.400 -0.035 0.000 0.799 238 E CB -0.288 29.393 29.700 -0.030 0.000 0.755 238 E HN 0.465 nan 8.360 nan 0.000 0.447 239 A N 0.177 122.954 122.820 -0.071 0.000 1.940 239 A HA -0.172 4.148 4.320 0.000 0.000 0.219 239 A C 2.452 179.971 177.584 -0.109 0.000 1.176 239 A CA 1.898 53.879 52.037 -0.093 0.000 0.631 239 A CB -0.755 18.166 19.000 -0.131 0.000 0.814 239 A HN 0.213 nan 8.150 nan 0.000 0.446 240 V N -0.461 119.376 119.914 -0.128 0.000 2.453 240 V HA -0.154 3.966 4.120 0.000 0.000 0.247 240 V C 2.974 179.079 176.094 0.018 0.000 1.048 240 V CA 1.619 63.869 62.300 -0.083 0.000 1.049 240 V CB -1.358 30.422 31.823 -0.072 0.000 0.672 240 V HN 0.590 nan 8.190 nan 0.000 0.457 241 A N 0.010 122.832 122.820 0.003 0.000 1.940 241 A HA -0.211 4.109 4.320 0.000 0.000 0.219 241 A C 2.158 179.757 177.584 0.025 0.000 1.176 241 A CA 1.777 53.826 52.037 0.020 0.000 0.631 241 A CB -0.383 18.621 19.000 0.007 0.000 0.814 241 A HN 0.543 nan 8.150 nan 0.000 0.446 242 K N -0.787 119.621 120.400 0.014 0.000 2.437 242 K HA 0.347 4.667 4.320 0.000 0.000 0.198 242 K C 1.181 177.801 176.600 0.034 0.000 1.024 242 K CA 0.393 56.691 56.287 0.018 0.000 1.148 242 K CB 0.157 32.661 32.500 0.005 0.000 0.860 242 K HN 0.433 nan 8.250 nan 0.000 0.515 243 A N -0.296 122.558 122.820 0.058 0.000 2.259 243 A HA 0.354 4.674 4.320 0.000 0.000 0.213 243 A C 1.481 179.137 177.584 0.121 0.000 1.209 243 A CA 0.692 52.792 52.037 0.105 0.000 0.910 243 A CB 0.205 19.305 19.000 0.165 0.000 0.946 243 A HN 0.327 nan 8.150 nan 0.000 0.497 244 G N 0.021 108.882 108.800 0.102 0.000 2.454 244 G HA2 -0.291 3.669 3.960 0.000 0.000 0.225 244 G HA3 -0.291 3.669 3.960 0.000 0.000 0.225 244 G C 0.447 175.409 174.900 0.104 0.000 1.138 244 G CA 0.421 45.572 45.100 0.086 0.000 0.667 244 G HN 0.562 nan 8.290 nan 0.000 0.512 245 K N 2.300 122.788 120.400 0.145 0.000 2.436 245 K HA 0.392 4.712 4.320 0.000 0.000 0.275 245 K C -1.978 174.730 176.600 0.180 0.000 0.999 245 K CA -0.824 55.540 56.287 0.129 0.000 0.980 245 K CB 0.576 33.119 32.500 0.072 0.000 0.919 245 K HN 0.229 nan 8.250 nan 0.000 0.484 246 P HA 0.103 nan 4.420 nan 0.000 0.275 246 P C -1.288 176.131 177.300 0.199 0.000 1.270 246 P CA -0.484 62.709 63.100 0.156 0.000 0.791 246 P CB 0.470 32.252 31.700 0.136 0.000 1.089 247 L N 0.178 121.506 121.223 0.175 0.000 2.505 247 L HA 0.527 4.867 4.340 0.000 0.000 0.266 247 L C -1.616 175.331 176.870 0.128 0.000 0.954 247 L CA -0.835 54.107 54.840 0.170 0.000 0.852 247 L CB 1.583 43.721 42.059 0.131 0.000 1.282 247 L HN 0.102 nan 8.230 nan 0.000 0.403 248 L N 5.719 127.024 121.223 0.137 0.000 2.334 248 L HA 0.679 5.019 4.340 0.000 0.000 0.277 248 L C -1.081 175.845 176.870 0.095 0.000 1.075 248 L CA 0.214 55.128 54.840 0.123 0.000 0.804 248 L CB 1.258 43.402 42.059 0.142 0.000 1.174 248 L HN 0.621 nan 8.230 nan 0.000 0.438 249 I N 6.094 126.708 120.570 0.074 0.000 2.411 249 I HA 0.359 4.529 4.170 0.000 0.000 0.284 249 I C -0.747 175.416 176.117 0.077 0.000 1.012 249 I CA -0.042 61.291 61.300 0.056 0.000 1.119 249 I CB 1.391 39.403 38.000 0.019 0.000 1.261 249 I HN 0.469 nan 8.210 nan 0.000 0.448 250 I N 6.516 127.132 120.570 0.077 0.000 2.361 250 I HA 0.570 4.740 4.170 0.000 0.000 0.282 250 I C 0.430 176.568 176.117 0.036 0.000 1.075 250 I CA -0.023 61.327 61.300 0.082 0.000 1.205 250 I CB 0.810 38.861 38.000 0.084 0.000 1.406 250 I HN 0.607 nan 8.210 nan 0.000 0.481 251 A N 4.177 127.020 122.820 0.039 0.000 2.284 251 A HA 0.441 4.761 4.320 0.000 0.000 0.317 251 A C 1.115 178.713 177.584 0.023 0.000 1.120 251 A CA -0.476 51.574 52.037 0.021 0.000 0.900 251 A CB 0.887 19.899 19.000 0.019 0.000 1.319 251 A HN 0.699 nan 8.150 nan 0.000 0.494 252 E N -0.786 119.424 120.200 0.016 0.000 2.110 252 E HA -0.137 4.213 4.350 0.000 0.000 0.193 252 E C -0.351 176.270 176.600 0.035 0.000 0.988 252 E CA 1.428 57.841 56.400 0.022 0.000 0.804 252 E CB 0.180 29.890 29.700 0.017 0.000 0.745 252 E HN 0.596 nan 8.360 nan 0.000 0.458 253 D N -1.771 118.648 120.400 0.032 0.000 2.728 253 D HA 0.162 4.802 4.640 0.000 0.000 0.249 253 D C -1.843 174.473 176.300 0.028 0.000 1.225 253 D CA -0.447 53.575 54.000 0.035 0.000 0.748 253 D CB 2.071 42.891 40.800 0.033 0.000 1.326 253 D HN -0.128 nan 8.370 nan 0.000 0.426 254 V N 2.657 122.589 119.914 0.029 0.000 2.482 254 V HA 0.476 4.596 4.120 0.000 0.000 0.295 254 V C 0.157 176.263 176.094 0.020 0.000 1.026 254 V CA -0.494 61.818 62.300 0.020 0.000 0.856 254 V CB 1.634 33.466 31.823 0.015 0.000 1.001 254 V HN 0.626 nan 8.190 nan 0.000 0.424 255 E N 3.445 123.654 120.200 0.016 0.000 2.359 255 E HA 0.826 5.176 4.350 0.000 0.000 0.223 255 E C 0.540 177.148 176.600 0.014 0.000 0.877 255 E CA -0.378 56.033 56.400 0.017 0.000 0.887 255 E CB 1.132 30.843 29.700 0.018 0.000 1.890 255 E HN 1.104 nan 8.360 nan 0.000 0.419 256 G N 0.947 109.756 108.800 0.015 0.000 2.578 256 G HA2 -0.401 3.559 3.960 0.000 0.000 0.275 256 G HA3 -0.401 3.559 3.960 0.000 0.000 0.275 256 G C 0.554 175.462 174.900 0.013 0.000 1.271 256 G CA 0.947 46.055 45.100 0.013 0.000 0.941 256 G HN 0.812 nan 8.290 nan 0.000 0.564 257 E N 0.222 120.427 120.200 0.009 0.000 2.427 257 E HA 0.430 4.780 4.350 0.000 0.000 0.196 257 E C 2.525 179.126 176.600 0.002 0.000 1.028 257 E CA 1.897 58.301 56.400 0.007 0.000 0.864 257 E CB -0.488 29.216 29.700 0.005 0.000 0.813 257 E HN 1.181 nan 8.360 nan 0.000 0.514 258 A N 1.584 124.404 122.820 0.000 0.000 1.841 258 A HA -0.145 4.175 4.320 0.000 0.000 0.216 258 A C 2.171 179.748 177.584 -0.011 0.000 1.199 258 A CA 1.588 53.621 52.037 -0.007 0.000 0.621 258 A CB -0.978 18.018 19.000 -0.006 0.000 0.835 258 A HN 0.322 nan 8.150 nan 0.000 0.445 259 L N -0.194 121.027 121.223 -0.004 0.000 2.013 259 L HA -0.155 4.185 4.340 0.000 0.000 0.212 259 L C 2.732 179.603 176.870 0.001 0.000 1.073 259 L CA 2.440 57.277 54.840 -0.005 0.000 0.753 259 L CB -0.861 41.204 42.059 0.010 0.000 0.890 259 L HN 0.402 nan 8.230 nan 0.000 0.432 260 A N -1.152 121.677 122.820 0.014 0.000 1.865 260 A HA -0.276 4.044 4.320 0.000 0.000 0.217 260 A C 2.369 179.961 177.584 0.014 0.000 1.191 260 A CA 2.883 54.936 52.037 0.026 0.000 0.623 260 A CB -1.482 17.534 19.000 0.027 0.000 0.826 260 A HN 0.640 nan 8.150 nan 0.000 0.444 261 T N -1.540 113.014 114.554 0.001 0.000 2.821 261 T HA -0.033 4.317 4.350 0.000 0.000 0.267 261 T C 1.824 176.513 174.700 -0.018 0.000 1.046 261 T CA 1.303 63.400 62.100 -0.006 0.000 1.139 261 T CB -0.600 68.263 68.868 -0.008 0.000 0.871 261 T HN 0.274 nan 8.240 nan 0.000 0.454 262 L N 0.885 122.086 121.223 -0.036 0.000 2.079 262 L HA -0.110 4.230 4.340 0.000 0.000 0.210 262 L C 2.897 179.718 176.870 -0.082 0.000 1.081 262 L CA 0.953 55.748 54.840 -0.075 0.000 0.752 262 L CB -0.747 41.246 42.059 -0.110 0.000 0.896 262 L HN 0.198 nan 8.230 nan 0.000 0.433 263 V N -0.571 119.322 119.914 -0.036 0.000 2.233 263 V HA -0.271 3.849 4.120 0.000 0.000 0.247 263 V C 2.355 178.468 176.094 0.033 0.000 1.050 263 V CA 1.933 64.245 62.300 0.020 0.000 1.010 263 V CB -0.595 31.277 31.823 0.082 0.000 0.637 263 V HN 0.276 nan 8.190 nan 0.000 0.444 264 V N 0.503 120.427 119.914 0.017 0.000 2.867 264 V HA -0.185 3.935 4.120 0.000 0.000 0.260 264 V C 2.109 178.211 176.094 0.013 0.000 1.099 264 V CA 1.702 64.010 62.300 0.012 0.000 1.122 264 V CB -1.115 30.709 31.823 0.002 0.000 0.708 264 V HN 0.562 nan 8.190 nan 0.000 0.490 265 N N 0.429 119.132 118.700 0.005 0.000 2.354 265 N HA -0.075 4.665 4.740 0.000 0.000 0.179 265 N C 1.823 177.350 175.510 0.028 0.000 1.021 265 N CA 1.744 54.797 53.050 0.005 0.000 0.887 265 N CB 0.090 38.568 38.487 -0.015 0.000 0.974 265 N HN 0.502 nan 8.380 nan 0.000 0.437 266 T N 0.861 115.445 114.554 0.051 0.000 3.039 266 T HA 0.144 4.494 4.350 0.000 0.000 0.250 266 T C 1.820 176.596 174.700 0.127 0.000 1.052 266 T CA -0.103 62.076 62.100 0.132 0.000 1.125 266 T CB 0.319 69.355 68.868 0.280 0.000 0.908 266 T HN 0.096 nan 8.240 nan 0.000 0.473 267 M N 0.964 120.625 119.600 0.101 0.000 2.260 267 M HA -0.108 4.372 4.480 0.000 0.000 0.261 267 M C 2.234 178.556 176.300 0.036 0.000 1.066 267 M CA 1.532 56.870 55.300 0.063 0.000 1.082 267 M CB -0.049 32.573 32.600 0.037 0.000 1.388 267 M HN 0.074 nan 8.290 nan 0.000 0.419 268 R N -0.925 119.595 120.500 0.034 0.000 2.146 268 R HA 0.087 4.427 4.340 0.000 0.000 0.206 268 R C 0.981 177.297 176.300 0.028 0.000 1.049 268 R CA 1.205 57.318 56.100 0.023 0.000 1.029 268 R CB 0.414 30.723 30.300 0.015 0.000 0.949 268 R HN 0.491 nan 8.270 nan 0.000 0.471 269 G N 0.093 108.917 108.800 0.041 0.000 2.141 269 G HA2 -0.130 3.830 3.960 0.000 0.000 0.164 269 G HA3 -0.130 3.830 3.960 0.000 0.000 0.164 269 G C 0.407 175.330 174.900 0.038 0.000 1.009 269 G CA 0.088 45.214 45.100 0.043 0.000 0.677 269 G HN 0.132 nan 8.290 nan 0.000 0.508 270 I N -0.073 120.518 120.570 0.035 0.000 2.235 270 I HA 0.137 4.307 4.170 0.000 0.000 0.241 270 I C 1.564 177.701 176.117 0.033 0.000 1.085 270 I CA 2.098 63.414 61.300 0.027 0.000 1.378 270 I CB -1.175 36.835 38.000 0.017 0.000 1.076 270 I HN 0.540 nan 8.210 nan 0.000 0.415 271 V N -1.827 118.111 119.914 0.041 0.000 3.114 271 V HA 0.515 4.635 4.120 0.000 0.000 0.308 271 V C -0.495 175.649 176.094 0.084 0.000 1.168 271 V CA -1.197 61.133 62.300 0.051 0.000 1.015 271 V CB 2.554 34.392 31.823 0.025 0.000 1.050 271 V HN 0.057 nan 8.190 nan 0.000 0.433 272 K N 1.833 122.303 120.400 0.117 0.000 2.334 272 K HA 0.733 5.053 4.320 0.000 0.000 0.265 272 K C -1.114 175.594 176.600 0.179 0.000 1.039 272 K CA -0.461 55.955 56.287 0.216 0.000 0.920 272 K CB 1.581 34.211 32.500 0.218 0.000 1.160 272 K HN 0.953 nan 8.250 nan 0.000 0.451 273 V N 0.265 120.166 119.914 -0.022 0.000 2.623 273 V HA 0.800 4.920 4.120 0.000 0.000 0.304 273 V C -0.599 175.022 176.094 -0.788 0.000 1.054 273 V CA -1.087 61.070 62.300 -0.238 0.000 0.882 273 V CB 1.494 33.204 31.823 -0.188 0.000 1.002 273 V HN 0.665 nan 8.190 nan 0.000 0.424 274 A N 3.472 126.131 122.820 -0.267 0.000 2.320 274 A HA 1.046 5.366 4.320 0.000 0.000 0.334 274 A C 0.138 177.688 177.584 -0.056 0.000 1.147 274 A CA -0.274 51.689 52.037 -0.123 0.000 0.820 274 A CB 1.684 20.885 19.000 0.335 0.000 1.218 274 A HN 2.412 nan 8.150 nan 0.000 0.482 275 A N 0.880 123.704 122.820 0.007 0.000 2.375 275 A HA 0.662 4.982 4.320 0.000 0.000 0.295 275 A C -0.732 176.915 177.584 0.106 0.000 1.066 275 A CA -0.187 51.874 52.037 0.040 0.000 0.722 275 A CB 0.961 19.956 19.000 -0.008 0.000 1.206 275 A HN 2.142 nan 8.150 nan 0.000 0.435 276 V N -0.061 119.922 119.914 0.115 0.000 2.888 276 V HA 0.577 4.697 4.120 0.000 0.000 0.309 276 V C -0.213 175.965 176.094 0.141 0.000 1.114 276 V CA -1.235 61.142 62.300 0.128 0.000 0.940 276 V CB 1.336 33.239 31.823 0.133 0.000 1.021 276 V HN 0.857 nan 8.190 nan 0.000 0.426 277 K N 1.820 122.295 120.400 0.125 0.000 2.344 277 K HA 0.532 4.852 4.320 0.000 0.000 0.260 277 K C 0.556 177.251 176.600 0.158 0.000 0.988 277 K CA 0.459 56.816 56.287 0.118 0.000 0.909 277 K CB 0.584 33.143 32.500 0.099 0.000 0.968 277 K HN 1.128 nan 8.250 nan 0.000 0.505 278 A N 3.023 125.896 122.820 0.088 0.000 2.388 278 A HA 0.259 4.579 4.320 0.000 0.000 0.257 278 A C -2.169 175.427 177.584 0.019 0.000 1.095 278 A CA -1.356 50.693 52.037 0.020 0.000 0.791 278 A CB -0.137 18.848 19.000 -0.025 0.000 1.029 278 A HN 0.404 nan 8.150 nan 0.000 0.489 279 P HA 0.402 nan 4.420 nan 0.000 0.271 279 P C 0.601 177.793 177.300 -0.180 0.000 1.233 279 P CA 1.499 64.554 63.100 -0.075 0.000 0.764 279 P CB 0.557 32.066 31.700 -0.318 0.000 0.825 280 G N 2.874 111.538 108.800 -0.226 0.000 2.548 280 G HA2 0.106 4.066 3.960 0.000 0.000 0.208 280 G HA3 0.106 4.066 3.960 0.000 0.000 0.208 280 G C -1.341 173.307 174.900 -0.421 0.000 1.308 280 G CA -0.530 44.182 45.100 -0.645 0.000 0.924 280 G HN 0.540 nan 8.290 nan 0.000 0.540 281 F N -2.122 117.844 119.950 0.026 0.000 2.654 281 F HA 0.720 5.247 4.527 -0.000 0.000 0.314 281 F C 0.876 176.691 175.800 0.025 0.000 1.116 281 F CA 0.038 58.053 58.000 0.025 0.000 1.017 281 F CB 0.936 39.953 39.000 0.029 0.000 1.285 281 F HN 2.402 nan 8.300 nan 0.000 0.448 282 G N 1.905 110.825 108.800 0.200 0.000 2.547 282 G HA2 -0.318 3.642 3.960 0.000 0.000 0.271 282 G HA3 -0.318 3.642 3.960 0.000 0.000 0.271 282 G C 0.209 175.148 174.900 0.064 0.000 1.209 282 G CA 0.690 45.869 45.100 0.131 0.000 0.959 282 G HN 0.797 nan 8.290 nan 0.000 0.563 283 D N 0.120 120.557 120.400 0.061 0.000 2.348 283 D HA 0.042 4.682 4.640 0.000 0.000 0.216 283 D C 2.368 178.664 176.300 -0.007 0.000 0.970 283 D CA 0.758 54.773 54.000 0.025 0.000 0.889 283 D CB -0.057 40.763 40.800 0.034 0.000 0.912 283 D HN 0.415 nan 8.370 nan 0.000 0.524 284 R N 0.175 120.665 120.500 -0.017 0.000 2.090 284 R HA -0.005 4.335 4.340 0.000 0.000 0.228 284 R C 2.190 178.404 176.300 -0.145 0.000 1.110 284 R CA 0.615 56.658 56.100 -0.094 0.000 0.973 284 R CB 0.142 30.351 30.300 -0.152 0.000 0.869 284 R HN 0.065 nan 8.270 nan 0.000 0.440 285 R N 1.229 121.646 120.500 -0.139 0.000 2.082 285 R HA -0.180 4.160 4.340 0.000 0.000 0.234 285 R C 1.718 177.950 176.300 -0.112 0.000 1.136 285 R CA 2.083 58.099 56.100 -0.141 0.000 0.935 285 R CB -0.092 30.157 30.300 -0.085 0.000 0.842 285 R HN 0.114 nan 8.270 nan 0.000 0.430 286 K N 0.128 120.484 120.400 -0.074 0.000 2.097 286 K HA -0.080 4.240 4.320 0.000 0.000 0.206 286 K C 2.208 178.766 176.600 -0.070 0.000 1.049 286 K CA 1.306 57.556 56.287 -0.062 0.000 0.933 286 K CB -0.204 32.274 32.500 -0.038 0.000 0.717 286 K HN 0.283 nan 8.250 nan 0.000 0.442 287 A N 1.669 124.445 122.820 -0.073 0.000 1.883 287 A HA -0.172 4.148 4.320 0.000 0.000 0.217 287 A C 2.194 179.720 177.584 -0.096 0.000 1.186 287 A CA 1.555 53.547 52.037 -0.075 0.000 0.624 287 A CB -0.431 18.525 19.000 -0.073 0.000 0.822 287 A HN 0.180 nan 8.150 nan 0.000 0.444 288 M N -1.534 117.990 119.600 -0.127 0.000 2.200 288 M HA -0.059 4.421 4.480 0.000 0.000 0.265 288 M C 2.167 178.360 176.300 -0.179 0.000 1.066 288 M CA 1.090 56.295 55.300 -0.159 0.000 1.127 288 M CB -0.384 32.096 32.600 -0.200 0.000 1.379 288 M HN 0.456 nan 8.290 nan 0.000 0.420 289 L N 0.733 121.856 121.223 -0.167 0.000 2.131 289 L HA -0.219 4.121 4.340 0.000 0.000 0.210 289 L C 2.369 179.170 176.870 -0.115 0.000 1.092 289 L CA 1.840 56.584 54.840 -0.160 0.000 0.759 289 L CB -0.698 41.288 42.059 -0.120 0.000 0.903 289 L HN 0.268 nan 8.230 nan 0.000 0.435 290 Q N -0.318 119.428 119.800 -0.091 0.000 2.119 290 Q HA -0.203 4.137 4.340 0.000 0.000 0.201 290 Q C 1.730 177.690 176.000 -0.066 0.000 0.972 290 Q CA 1.971 57.735 55.803 -0.066 0.000 0.847 290 Q CB -0.309 28.396 28.738 -0.054 0.000 0.903 290 Q HN 0.527 nan 8.270 nan 0.000 0.433 291 D N -0.110 120.241 120.400 -0.082 0.000 2.133 291 D HA -0.192 4.448 4.640 0.000 0.000 0.192 291 D C 1.752 178.011 176.300 -0.068 0.000 1.001 291 D CA 1.705 55.660 54.000 -0.074 0.000 0.844 291 D CB -0.248 40.498 40.800 -0.090 0.000 0.944 291 D HN 0.393 nan 8.370 nan 0.000 0.447 292 I N 0.806 121.319 120.570 -0.096 0.000 2.226 292 I HA -0.264 3.906 4.170 0.000 0.000 0.245 292 I C 2.455 178.549 176.117 -0.038 0.000 1.100 292 I CA 1.081 62.334 61.300 -0.078 0.000 1.374 292 I CB -0.310 37.610 38.000 -0.133 0.000 1.057 292 I HN -0.050 nan 8.210 nan 0.000 0.413 293 A N 0.662 123.458 122.820 -0.039 0.000 1.873 293 A HA -0.255 4.065 4.320 0.000 0.000 0.218 293 A C 2.420 179.998 177.584 -0.010 0.000 1.193 293 A CA 2.760 54.787 52.037 -0.017 0.000 0.629 293 A CB -1.313 17.674 19.000 -0.021 0.000 0.826 293 A HN 0.418 nan 8.150 nan 0.000 0.447 294 T N -0.006 114.537 114.554 -0.018 0.000 2.652 294 T HA -0.180 4.170 4.350 0.000 0.000 0.267 294 T C 1.766 176.462 174.700 -0.007 0.000 1.039 294 T CA 1.636 63.728 62.100 -0.013 0.000 1.153 294 T CB -0.425 68.431 68.868 -0.019 0.000 0.863 294 T HN 0.297 nan 8.240 nan 0.000 0.428 295 L N 1.707 122.925 121.223 -0.009 0.000 2.362 295 L HA 0.020 4.360 4.340 0.000 0.000 0.219 295 L C 2.067 178.941 176.870 0.006 0.000 1.134 295 L CA 1.616 56.455 54.840 -0.001 0.000 0.807 295 L CB -0.620 41.440 42.059 0.000 0.000 0.927 295 L HN 0.468 nan 8.230 nan 0.000 0.447 296 T N -5.340 109.219 114.554 0.009 0.000 3.043 296 T HA 0.386 4.736 4.350 0.000 0.000 0.272 296 T C 1.176 175.889 174.700 0.023 0.000 0.990 296 T CA 0.123 62.233 62.100 0.017 0.000 0.897 296 T CB 0.102 68.987 68.868 0.029 0.000 1.111 296 T HN 0.393 nan 8.240 nan 0.000 0.529 297 G N 0.737 109.547 108.800 0.018 0.000 2.272 297 G HA2 0.090 4.050 3.960 0.000 0.000 0.280 297 G HA3 0.090 4.050 3.960 0.000 0.000 0.280 297 G C 0.295 175.216 174.900 0.035 0.000 1.067 297 G CA -0.169 44.944 45.100 0.022 0.000 0.902 297 G HN 1.053 nan 8.290 nan 0.000 0.500 298 G N -1.514 107.304 108.800 0.031 0.000 2.537 298 G HA2 0.774 4.734 3.960 0.000 0.000 0.323 298 G HA3 0.774 4.734 3.960 0.000 0.000 0.323 298 G C -0.397 174.514 174.900 0.017 0.000 1.207 298 G CA 0.041 45.163 45.100 0.036 0.000 0.976 298 G HN 0.580 nan 8.290 nan 0.000 0.487 299 T N 0.609 115.172 114.554 0.014 0.000 2.779 299 T HA 0.376 4.726 4.350 0.000 0.000 0.280 299 T C 0.211 174.909 174.700 -0.003 0.000 0.987 299 T CA -0.276 61.825 62.100 0.003 0.000 0.966 299 T CB 1.563 70.432 68.868 0.001 0.000 0.933 299 T HN 0.346 nan 8.240 nan 0.000 0.442 300 V N 4.715 124.623 119.914 -0.010 0.000 2.450 300 V HA 0.075 4.195 4.120 0.000 0.000 0.281 300 V C 0.495 176.581 176.094 -0.013 0.000 1.019 300 V CA -0.181 62.110 62.300 -0.015 0.000 1.062 300 V CB -0.404 31.405 31.823 -0.023 0.000 0.979 300 V HN 0.734 nan 8.190 nan 0.000 0.477 301 I N 5.010 125.573 120.570 -0.012 0.000 2.293 301 I HA 0.085 4.255 4.170 0.000 0.000 0.299 301 I C 0.832 176.942 176.117 -0.011 0.000 1.153 301 I CA 1.058 62.352 61.300 -0.011 0.000 1.302 301 I CB 0.727 38.721 38.000 -0.011 0.000 1.460 301 I HN 0.593 nan 8.210 nan 0.000 0.552 302 S N 4.600 120.293 115.700 -0.011 0.000 2.410 302 S HA 0.168 4.638 4.470 0.000 0.000 0.304 302 S C 1.299 175.894 174.600 -0.008 0.000 1.095 302 S CA -0.542 57.652 58.200 -0.011 0.000 1.089 302 S CB 0.382 63.575 63.200 -0.012 0.000 0.968 302 S HN 0.688 nan 8.310 nan 0.000 0.480 303 E N 3.178 123.374 120.200 -0.007 0.000 2.267 303 E HA -0.175 4.175 4.350 0.000 0.000 0.197 303 E C 1.271 177.869 176.600 -0.004 0.000 0.998 303 E CA 1.151 57.548 56.400 -0.005 0.000 0.830 303 E CB 0.197 29.895 29.700 -0.004 0.000 0.751 303 E HN 0.782 nan 8.360 nan 0.000 0.491 304 E N 0.261 120.458 120.200 -0.004 0.000 2.015 304 E HA -0.166 4.184 4.350 0.000 0.000 0.191 304 E C 1.609 178.207 176.600 -0.004 0.000 0.991 304 E CA 1.240 57.638 56.400 -0.003 0.000 0.802 304 E CB -0.274 29.423 29.700 -0.004 0.000 0.759 304 E HN 0.395 nan 8.360 nan 0.000 0.447 305 I N -1.283 119.283 120.570 -0.005 0.000 3.525 305 I HA 0.365 4.535 4.170 0.000 0.000 0.311 305 I C 0.409 176.523 176.117 -0.005 0.000 1.329 305 I CA -0.182 61.114 61.300 -0.005 0.000 1.382 305 I CB -0.380 37.616 38.000 -0.006 0.000 1.328 305 I HN 0.046 nan 8.210 nan 0.000 0.493 306 G N 3.134 111.931 108.800 -0.005 0.000 2.374 306 G HA2 -0.233 3.727 3.960 0.000 0.000 0.289 306 G HA3 -0.233 3.727 3.960 0.000 0.000 0.289 306 G C -0.374 174.523 174.900 -0.006 0.000 1.004 306 G CA 0.075 45.172 45.100 -0.005 0.000 1.292 306 G HN 0.587 nan 8.290 nan 0.000 0.502 307 M N -0.095 119.501 119.600 -0.006 0.000 2.378 307 M HA 0.332 4.812 4.480 0.000 0.000 0.289 307 M C -0.380 175.915 176.300 -0.008 0.000 1.136 307 M CA -0.608 54.687 55.300 -0.008 0.000 0.917 307 M CB 2.436 35.031 32.600 -0.009 0.000 1.669 307 M HN 0.311 nan 8.290 nan 0.000 0.461 308 E N 1.703 121.898 120.200 -0.009 0.000 2.191 308 E HA 0.216 4.566 4.350 0.000 0.000 0.278 308 E C 0.307 176.900 176.600 -0.012 0.000 0.972 308 E CA -0.540 55.854 56.400 -0.010 0.000 0.804 308 E CB 2.477 32.171 29.700 -0.010 0.000 1.110 308 E HN 0.502 nan 8.360 nan 0.000 0.394 309 L N 3.463 124.678 121.223 -0.012 0.000 2.079 309 L HA -0.219 4.121 4.340 0.000 0.000 0.210 309 L C 1.798 178.657 176.870 -0.019 0.000 1.081 309 L CA 1.932 56.763 54.840 -0.015 0.000 0.752 309 L CB -0.250 41.802 42.059 -0.013 0.000 0.896 309 L HN 0.606 nan 8.230 nan 0.000 0.433 310 E N -0.010 120.179 120.200 -0.017 0.000 2.118 310 E HA -0.274 4.076 4.350 0.000 0.000 0.195 310 E C 1.589 178.176 176.600 -0.022 0.000 0.992 310 E CA 1.490 57.879 56.400 -0.020 0.000 0.804 310 E CB -0.308 29.383 29.700 -0.016 0.000 0.741 310 E HN 0.640 nan 8.360 nan 0.000 0.458 311 K N 0.891 121.280 120.400 -0.020 0.000 2.476 311 K HA 0.333 4.653 4.320 0.000 0.000 0.196 311 K C 0.321 176.907 176.600 -0.024 0.000 1.025 311 K CA -0.005 56.270 56.287 -0.020 0.000 1.138 311 K CB 0.503 32.994 32.500 -0.016 0.000 0.860 311 K HN -0.078 nan 8.250 nan 0.000 0.515 312 A N 1.621 124.424 122.820 -0.028 0.000 2.388 312 A HA 0.328 4.648 4.320 0.000 0.000 0.257 312 A C 0.266 177.821 177.584 -0.048 0.000 1.095 312 A CA -0.339 51.677 52.037 -0.034 0.000 0.791 312 A CB 0.364 19.344 19.000 -0.033 0.000 1.029 312 A HN 0.503 nan 8.150 nan 0.000 0.489 313 T N -0.121 114.401 114.554 -0.053 0.000 2.870 313 T HA 0.506 4.856 4.350 0.000 0.000 0.277 313 T C 1.237 175.872 174.700 -0.109 0.000 1.000 313 T CA -0.737 61.319 62.100 -0.074 0.000 0.982 313 T CB 0.423 69.259 68.868 -0.054 0.000 1.249 313 T HN 0.335 nan 8.240 nan 0.000 0.589 314 L N 0.176 121.307 121.223 -0.154 0.000 2.129 314 L HA -0.153 4.187 4.340 0.000 0.000 0.212 314 L C 2.908 179.716 176.870 -0.102 0.000 1.087 314 L CA 1.980 56.673 54.840 -0.245 0.000 0.757 314 L CB -0.667 41.241 42.059 -0.251 0.000 0.896 314 L HN 0.888 nan 8.230 nan 0.000 0.434 315 E N 0.799 120.974 120.200 -0.043 0.000 2.095 315 E HA -0.301 4.049 4.350 0.000 0.000 0.212 315 E C 1.563 178.172 176.600 0.014 0.000 1.044 315 E CA 2.305 58.706 56.400 0.001 0.000 0.857 315 E CB -0.089 29.607 29.700 -0.006 0.000 0.764 315 E HN 0.467 nan 8.360 nan 0.000 0.462 316 D N -0.109 120.287 120.400 -0.006 0.000 2.348 316 D HA -0.047 4.593 4.640 0.000 0.000 0.216 316 D C 0.320 176.635 176.300 0.025 0.000 0.970 316 D CA 0.309 54.312 54.000 0.005 0.000 0.889 316 D CB -0.055 40.739 40.800 -0.009 0.000 0.912 316 D HN 0.270 nan 8.370 nan 0.000 0.524 317 L N 1.222 122.466 121.223 0.035 0.000 2.416 317 L HA 0.238 4.578 4.340 0.000 0.000 0.272 317 L C 1.385 178.359 176.870 0.175 0.000 1.161 317 L CA -0.449 54.451 54.840 0.100 0.000 0.845 317 L CB 0.937 43.046 42.059 0.084 0.000 1.119 317 L HN -0.098 nan 8.230 nan 0.000 0.464 318 G N 2.322 111.211 108.800 0.148 0.000 2.599 318 G HA2 0.438 4.398 3.960 0.000 0.000 0.264 318 G HA3 0.438 4.398 3.960 0.000 0.000 0.264 318 G C -0.791 174.192 174.900 0.138 0.000 1.200 318 G CA -0.306 44.865 45.100 0.118 0.000 0.896 318 G HN 0.635 nan 8.290 nan 0.000 0.536 319 Q N -1.341 118.488 119.800 0.049 0.000 2.379 319 Q HA 0.613 4.953 4.340 0.000 0.000 0.278 319 Q C -0.790 175.189 176.000 -0.035 0.000 1.068 319 Q CA -0.791 54.985 55.803 -0.044 0.000 0.816 319 Q CB 2.608 31.267 28.738 -0.133 0.000 1.387 319 Q HN 0.828 nan 8.270 nan 0.000 0.413 320 A N 0.871 123.658 122.820 -0.055 0.000 2.566 320 A HA 0.427 4.747 4.320 0.000 0.000 0.292 320 A C -0.200 177.357 177.584 -0.044 0.000 1.112 320 A CA -0.584 51.436 52.037 -0.028 0.000 0.707 320 A CB 1.680 20.683 19.000 0.006 0.000 1.302 320 A HN 0.778 nan 8.150 nan 0.000 0.409 321 K N -0.556 119.828 120.400 -0.027 0.000 2.103 321 K HA 0.054 4.374 4.320 0.000 0.000 0.204 321 K C 0.600 177.188 176.600 -0.021 0.000 1.052 321 K CA 1.290 57.560 56.287 -0.028 0.000 0.945 321 K CB 0.052 32.541 32.500 -0.018 0.000 0.722 321 K HN 0.600 nan 8.250 nan 0.000 0.443 322 R N -1.126 119.369 120.500 -0.008 0.000 2.709 322 R HA 0.272 4.612 4.340 0.000 0.000 0.270 322 R C -2.063 174.246 176.300 0.015 0.000 1.038 322 R CA -0.691 55.409 56.100 0.001 0.000 0.872 322 R CB 2.076 32.374 30.300 -0.002 0.000 1.259 322 R HN -0.117 nan 8.270 nan 0.000 0.473 323 V N 2.194 122.122 119.914 0.023 0.000 2.686 323 V HA 0.526 4.646 4.120 0.000 0.000 0.306 323 V C -0.938 175.171 176.094 0.025 0.000 1.065 323 V CA -0.816 61.506 62.300 0.036 0.000 0.894 323 V CB 2.100 33.962 31.823 0.065 0.000 1.004 323 V HN 0.443 nan 8.190 nan 0.000 0.424 324 V N 6.056 125.976 119.914 0.011 0.000 2.376 324 V HA 0.568 4.688 4.120 0.000 0.000 0.287 324 V C -0.595 175.488 176.094 -0.017 0.000 1.015 324 V CA -0.238 62.061 62.300 -0.002 0.000 0.834 324 V CB 1.444 33.259 31.823 -0.014 0.000 1.001 324 V HN 0.735 nan 8.190 nan 0.000 0.428 325 I N 5.566 126.146 120.570 0.016 0.000 2.447 325 I HA 0.535 4.705 4.170 0.000 0.000 0.287 325 I C -0.041 176.113 176.117 0.061 0.000 1.023 325 I CA -0.355 60.955 61.300 0.016 0.000 1.083 325 I CB 1.856 39.919 38.000 0.106 0.000 1.245 325 I HN 0.755 nan 8.210 nan 0.000 0.434 326 N N 4.644 123.293 118.700 -0.084 0.000 2.989 326 N HA 0.349 5.089 4.740 0.000 0.000 0.338 326 N C 0.604 175.708 175.510 -0.677 0.000 1.369 326 N CA -0.993 51.965 53.050 -0.153 0.000 0.794 326 N CB 0.481 38.918 38.487 -0.083 0.000 1.359 326 N HN 0.470 nan 8.380 nan 0.000 0.609 327 K N -1.253 118.740 120.400 -0.678 0.000 2.360 327 K HA -0.101 4.219 4.320 0.000 0.000 0.201 327 K C -0.342 176.000 176.600 -0.430 0.000 1.046 327 K CA 1.473 57.307 56.287 -0.756 0.000 0.945 327 K CB -0.113 32.206 32.500 -0.302 0.000 0.750 327 K HN 0.540 nan 8.250 nan 0.000 0.464 328 D N -0.202 120.016 120.400 -0.303 0.000 2.461 328 D HA 0.015 4.655 4.640 0.000 0.000 0.266 328 D C 0.099 176.280 176.300 -0.197 0.000 1.085 328 D CA 0.636 54.518 54.000 -0.197 0.000 0.887 328 D CB 1.059 41.783 40.800 -0.127 0.000 1.309 328 D HN 0.291 nan 8.370 nan 0.000 0.498 329 T N -1.000 113.418 114.554 -0.228 0.000 2.912 329 T HA 0.574 4.924 4.350 0.000 0.000 0.299 329 T C -0.376 174.128 174.700 -0.326 0.000 1.052 329 T CA -0.633 61.307 62.100 -0.267 0.000 0.996 329 T CB 2.437 71.192 68.868 -0.189 0.000 1.070 329 T HN -0.320 nan 8.240 nan 0.000 0.465 330 T N 2.456 116.678 114.554 -0.553 0.000 2.859 330 T HA 0.674 5.024 4.350 0.000 0.000 0.281 330 T C -0.477 173.965 174.700 -0.429 0.000 1.005 330 T CA -0.547 61.233 62.100 -0.533 0.000 1.025 330 T CB 1.383 69.774 68.868 -0.795 0.000 0.977 330 T HN 0.800 nan 8.240 nan 0.000 0.458 331 T N 3.154 117.607 114.554 -0.168 0.000 2.881 331 T HA 0.470 4.820 4.350 0.000 0.000 0.291 331 T C -0.161 174.553 174.700 0.023 0.000 0.990 331 T CA -0.497 61.573 62.100 -0.050 0.000 0.976 331 T CB 0.577 69.419 68.868 -0.043 0.000 0.970 331 T HN 0.430 nan 8.240 nan 0.000 0.438 332 I N 3.889 124.508 120.570 0.082 0.000 2.312 332 I HA 0.359 4.529 4.170 0.000 0.000 0.291 332 I C -0.102 176.043 176.117 0.047 0.000 1.031 332 I CA -0.552 60.795 61.300 0.079 0.000 1.293 332 I CB 0.767 38.835 38.000 0.112 0.000 1.403 332 I HN 0.504 nan 8.210 nan 0.000 0.484 333 I N 6.430 127.018 120.570 0.029 0.000 2.301 333 I HA 0.126 4.296 4.170 0.000 0.000 0.292 333 I C -0.146 175.978 176.117 0.011 0.000 1.046 333 I CA -0.152 61.158 61.300 0.016 0.000 1.282 333 I CB 0.414 38.419 38.000 0.007 0.000 1.409 333 I HN 0.588 nan 8.210 nan 0.000 0.484 334 D N 5.266 125.673 120.400 0.011 0.000 3.763 334 D HA -0.130 4.510 4.640 0.000 0.000 0.232 334 D C 0.119 176.420 176.300 0.002 0.000 1.108 334 D CA 0.905 54.907 54.000 0.004 0.000 1.117 334 D CB -0.046 40.753 40.800 -0.002 0.000 0.846 334 D HN 0.756 nan 8.370 nan 0.000 0.405 335 G N 1.235 110.038 108.800 0.006 0.000 2.476 335 G HA2 0.435 4.395 3.960 0.000 0.000 0.286 335 G HA3 0.435 4.395 3.960 0.000 0.000 0.286 335 G C 1.499 176.397 174.900 -0.003 0.000 1.177 335 G CA -0.249 44.853 45.100 0.004 0.000 0.870 335 G HN 0.334 nan 8.290 nan 0.000 0.528 336 V N 2.059 121.969 119.914 -0.008 0.000 2.233 336 V HA -0.109 4.011 4.120 0.000 0.000 0.252 336 V C 2.174 178.266 176.094 -0.002 0.000 1.063 336 V CA 2.362 64.657 62.300 -0.008 0.000 1.032 336 V CB -1.437 30.382 31.823 -0.007 0.000 0.645 336 V HN 1.766 nan 8.190 nan 0.000 0.446 337 G N 1.363 110.164 108.800 0.002 0.000 2.261 337 G HA2 -0.250 3.710 3.960 0.000 0.000 0.220 337 G HA3 -0.250 3.710 3.960 0.000 0.000 0.220 337 G C -0.387 174.513 174.900 -0.000 0.000 0.572 337 G CA 0.268 45.369 45.100 0.001 0.000 1.011 337 G HN 0.670 nan 8.290 nan 0.000 0.328 338 E N 1.380 121.581 120.200 0.001 0.000 2.757 338 E HA 0.156 4.506 4.350 0.000 0.000 0.238 338 E C 1.317 177.916 176.600 -0.001 0.000 1.057 338 E CA 0.454 56.854 56.400 0.001 0.000 0.952 338 E CB 0.633 30.334 29.700 0.001 0.000 0.934 338 E HN 0.644 nan 8.360 nan 0.000 0.518 339 E N 3.895 124.094 120.200 -0.002 0.000 2.086 339 E HA -0.321 4.029 4.350 0.000 0.000 0.205 339 E C 1.782 178.380 176.600 -0.003 0.000 1.027 339 E CA 2.160 58.559 56.400 -0.002 0.000 0.830 339 E CB -0.261 29.438 29.700 -0.002 0.000 0.751 339 E HN 0.596 nan 8.360 nan 0.000 0.456 340 A N 0.241 123.059 122.820 -0.003 0.000 1.933 340 A HA -0.041 4.279 4.320 0.000 0.000 0.218 340 A C 2.364 179.945 177.584 -0.004 0.000 1.175 340 A CA 2.220 54.255 52.037 -0.003 0.000 0.628 340 A CB -0.816 18.183 19.000 -0.002 0.000 0.814 340 A HN 0.371 nan 8.150 nan 0.000 0.444 341 A N -0.461 122.357 122.820 -0.004 0.000 2.066 341 A HA 0.108 4.428 4.320 0.000 0.000 0.218 341 A C 2.002 179.582 177.584 -0.007 0.000 1.157 341 A CA 1.076 53.110 52.037 -0.005 0.000 0.670 341 A CB -0.480 18.517 19.000 -0.004 0.000 0.804 341 A HN 0.507 nan 8.150 nan 0.000 0.453 342 I N -0.785 119.781 120.570 -0.007 0.000 2.110 342 I HA -0.283 3.887 4.170 0.000 0.000 0.236 342 I C 2.630 178.741 176.117 -0.010 0.000 1.068 342 I CA 1.534 62.829 61.300 -0.008 0.000 1.333 342 I CB -0.507 37.489 38.000 -0.006 0.000 1.054 342 I HN 0.315 nan 8.210 nan 0.000 0.402 343 Q N 0.707 120.502 119.800 -0.008 0.000 2.291 343 Q HA -0.091 4.249 4.340 0.000 0.000 0.205 343 Q C 2.221 178.216 176.000 -0.009 0.000 0.970 343 Q CA 1.367 57.165 55.803 -0.008 0.000 0.876 343 Q CB -0.324 28.410 28.738 -0.006 0.000 0.935 343 Q HN 0.644 nan 8.270 nan 0.000 0.455 344 G N 0.667 109.462 108.800 -0.009 0.000 2.404 344 G HA2 -0.238 3.722 3.960 0.000 0.000 0.214 344 G HA3 -0.238 3.722 3.960 0.000 0.000 0.214 344 G C 1.432 176.325 174.900 -0.012 0.000 1.189 344 G CA 0.131 45.225 45.100 -0.009 0.000 0.789 344 G HN 0.104 nan 8.290 nan 0.000 0.533 345 R N 0.260 120.752 120.500 -0.013 0.000 2.193 345 R HA 0.009 4.349 4.340 0.000 0.000 0.229 345 R C 2.438 178.726 176.300 -0.020 0.000 1.110 345 R CA 0.749 56.838 56.100 -0.018 0.000 0.988 345 R CB -0.285 30.003 30.300 -0.019 0.000 0.871 345 R HN 0.347 nan 8.270 nan 0.000 0.458 346 V N 0.145 120.049 119.914 -0.017 0.000 2.379 346 V HA -0.087 4.033 4.120 0.000 0.000 0.243 346 V C 2.351 178.435 176.094 -0.016 0.000 1.035 346 V CA 1.598 63.887 62.300 -0.018 0.000 1.035 346 V CB -0.500 31.314 31.823 -0.015 0.000 0.673 346 V HN 0.345 nan 8.190 nan 0.000 0.457 347 A N -0.834 121.978 122.820 -0.013 0.000 2.121 347 A HA -0.239 4.081 4.320 0.000 0.000 0.218 347 A C 2.181 179.757 177.584 -0.013 0.000 1.154 347 A CA 1.782 53.812 52.037 -0.012 0.000 0.679 347 A CB -0.389 18.605 19.000 -0.009 0.000 0.795 347 A HN 0.605 nan 8.150 nan 0.000 0.458 348 Q N -0.350 119.441 119.800 -0.015 0.000 2.123 348 Q HA -0.004 4.336 4.340 0.000 0.000 0.196 348 Q C 1.847 177.835 176.000 -0.020 0.000 0.958 348 Q CA 1.071 56.865 55.803 -0.016 0.000 0.841 348 Q CB -0.116 28.613 28.738 -0.017 0.000 0.915 348 Q HN 0.677 nan 8.270 nan 0.000 0.455 349 I N 0.490 121.046 120.570 -0.024 0.000 2.439 349 I HA -0.194 3.976 4.170 0.000 0.000 0.251 349 I C 2.667 178.767 176.117 -0.028 0.000 1.139 349 I CA 0.610 61.891 61.300 -0.030 0.000 1.438 349 I CB -0.281 37.697 38.000 -0.036 0.000 1.085 349 I HN 0.176 nan 8.210 nan 0.000 0.427 350 R N 0.836 121.323 120.500 -0.022 0.000 2.120 350 R HA -0.213 4.127 4.340 0.000 0.000 0.234 350 R C 2.268 178.558 176.300 -0.016 0.000 1.123 350 R CA 1.393 57.482 56.100 -0.019 0.000 0.975 350 R CB -0.111 30.181 30.300 -0.015 0.000 0.866 350 R HN 0.407 nan 8.270 nan 0.000 0.446 351 Q N 0.074 119.865 119.800 -0.016 0.000 2.402 351 Q HA -0.080 4.260 4.340 0.000 0.000 0.206 351 Q C 1.265 177.256 176.000 -0.015 0.000 0.919 351 Q CA 0.759 56.555 55.803 -0.013 0.000 0.923 351 Q CB 0.362 29.093 28.738 -0.010 0.000 1.048 351 Q HN 0.447 nan 8.270 nan 0.000 0.515 352 Q N 0.132 119.920 119.800 -0.020 0.000 2.230 352 Q HA -0.022 4.318 4.340 0.000 0.000 0.202 352 Q C 1.934 177.917 176.000 -0.027 0.000 0.963 352 Q CA 1.131 56.919 55.803 -0.025 0.000 0.866 352 Q CB 0.112 28.831 28.738 -0.032 0.000 0.931 352 Q HN 0.462 nan 8.270 nan 0.000 0.452 353 I N 0.057 120.611 120.570 -0.027 0.000 2.500 353 I HA -0.159 4.011 4.170 0.000 0.000 0.252 353 I C 2.096 178.205 176.117 -0.014 0.000 1.142 353 I CA 0.564 61.849 61.300 -0.025 0.000 1.451 353 I CB -0.200 37.784 38.000 -0.026 0.000 1.093 353 I HN 0.070 nan 8.210 nan 0.000 0.430 354 E N 1.863 122.057 120.200 -0.010 0.000 2.058 354 E HA -0.221 4.129 4.350 0.000 0.000 0.194 354 E C 1.501 178.100 176.600 -0.002 0.000 0.997 354 E CA 1.518 57.915 56.400 -0.004 0.000 0.801 354 E CB -0.164 29.533 29.700 -0.004 0.000 0.746 354 E HN 0.682 nan 8.360 nan 0.000 0.450 355 E N 0.172 120.369 120.200 -0.004 0.000 2.370 355 E HA 0.354 4.704 4.350 0.000 0.000 0.194 355 E C -0.260 176.339 176.600 -0.001 0.000 1.057 355 E CA -0.234 56.165 56.400 -0.001 0.000 1.011 355 E CB 0.349 30.048 29.700 -0.002 0.000 1.132 355 E HN -0.045 nan 8.360 nan 0.000 0.450 356 A N 1.671 124.489 122.820 -0.004 0.000 2.395 356 A HA 0.155 4.475 4.320 0.000 0.000 0.286 356 A C 1.141 178.731 177.584 0.009 0.000 1.193 356 A CA -0.324 51.711 52.037 -0.005 0.000 0.852 356 A CB -0.014 18.976 19.000 -0.017 0.000 1.118 356 A HN 0.316 nan 8.150 nan 0.000 0.524 357 T N 0.065 114.629 114.554 0.016 0.000 3.361 357 T HA 0.276 4.626 4.350 0.000 0.000 0.251 357 T C 0.711 175.432 174.700 0.035 0.000 1.131 357 T CA 0.494 62.609 62.100 0.024 0.000 1.001 357 T CB -1.002 67.881 68.868 0.025 0.000 1.003 357 T HN 1.070 nan 8.240 nan 0.000 0.558 358 S N -0.535 115.189 115.700 0.041 0.000 3.127 358 S HA 0.371 4.841 4.470 0.000 0.000 0.314 358 S C -0.481 174.153 174.600 0.057 0.000 1.238 358 S CA -0.682 57.552 58.200 0.057 0.000 1.074 358 S CB 0.629 63.881 63.200 0.085 0.000 1.417 358 S HN 0.019 nan 8.310 nan 0.000 0.597 359 D N -0.709 119.741 120.400 0.083 0.000 2.431 359 D HA 0.176 4.816 4.640 0.000 0.000 0.227 359 D C 1.341 177.707 176.300 0.110 0.000 1.030 359 D CA 0.490 54.540 54.000 0.082 0.000 0.897 359 D CB 0.020 40.870 40.800 0.084 0.000 1.058 359 D HN 0.469 nan 8.370 nan 0.000 0.500 360 Y N 2.421 122.735 120.300 0.023 0.000 2.184 360 Y HA -0.071 4.479 4.550 0.000 0.000 0.290 360 Y C 1.289 177.204 175.900 0.025 0.000 1.129 360 Y CA 1.311 59.427 58.100 0.027 0.000 1.144 360 Y CB -0.043 38.436 38.460 0.031 0.000 0.995 360 Y HN -0.211 nan 8.280 nan 0.000 0.513 361 D N 0.138 120.441 120.400 -0.162 0.000 2.371 361 D HA -0.047 4.593 4.640 0.000 0.000 0.234 361 D C 1.640 177.853 176.300 -0.145 0.000 1.049 361 D CA 0.523 54.388 54.000 -0.225 0.000 0.907 361 D CB 0.021 40.780 40.800 -0.068 0.000 0.891 361 D HN 0.476 nan 8.370 nan 0.000 0.531 362 R N 0.103 120.539 120.500 -0.106 0.000 2.164 362 R HA 0.045 4.385 4.340 0.000 0.000 0.198 362 R C 1.800 178.057 176.300 -0.072 0.000 1.028 362 R CA 0.114 56.178 56.100 -0.061 0.000 1.083 362 R CB 0.561 30.853 30.300 -0.013 0.000 1.026 362 R HN -0.005 nan 8.270 nan 0.000 0.514 363 E N 1.393 121.549 120.200 -0.073 0.000 2.005 363 E HA -0.262 4.088 4.350 0.000 0.000 0.198 363 E C 1.771 178.318 176.600 -0.088 0.000 1.010 363 E CA 2.167 58.537 56.400 -0.049 0.000 0.825 363 E CB -0.057 29.650 29.700 0.012 0.000 0.769 363 E HN 0.255 nan 8.360 nan 0.000 0.456 364 K N 0.845 121.139 120.400 -0.177 0.000 2.160 364 K HA -0.177 4.143 4.320 0.000 0.000 0.206 364 K C 2.043 178.563 176.600 -0.132 0.000 1.047 364 K CA 1.288 57.474 56.287 -0.168 0.000 0.930 364 K CB -0.200 32.128 32.500 -0.287 0.000 0.720 364 K HN 0.025 nan 8.250 nan 0.000 0.450 365 L N 2.296 123.437 121.223 -0.137 0.000 2.005 365 L HA -0.171 4.169 4.340 0.000 0.000 0.207 365 L C 2.905 179.735 176.870 -0.067 0.000 1.072 365 L CA 2.202 56.983 54.840 -0.098 0.000 0.744 365 L CB -1.445 40.560 42.059 -0.090 0.000 0.895 365 L HN 0.589 nan 8.230 nan 0.000 0.433 366 Q N -0.567 119.200 119.800 -0.056 0.000 2.436 366 Q HA -0.176 4.164 4.340 0.000 0.000 0.209 366 Q C 1.470 177.450 176.000 -0.033 0.000 0.965 366 Q CA 1.006 56.786 55.803 -0.038 0.000 0.910 366 Q CB -0.125 28.596 28.738 -0.029 0.000 0.980 366 Q HN 0.548 nan 8.270 nan 0.000 0.491 367 E N 1.221 121.398 120.200 -0.038 0.000 2.028 367 E HA -0.098 4.252 4.350 0.000 0.000 0.190 367 E C 2.132 178.715 176.600 -0.029 0.000 0.984 367 E CA 0.798 57.182 56.400 -0.028 0.000 0.800 367 E CB 0.064 29.748 29.700 -0.027 0.000 0.758 367 E HN 0.329 nan 8.360 nan 0.000 0.448 368 R N 0.498 120.972 120.500 -0.045 0.000 2.096 368 R HA -0.135 4.205 4.340 0.000 0.000 0.235 368 R C 2.650 178.929 176.300 -0.036 0.000 1.127 368 R CA 1.388 57.459 56.100 -0.047 0.000 0.968 368 R CB -0.430 29.830 30.300 -0.066 0.000 0.861 368 R HN 0.210 nan 8.270 nan 0.000 0.440 369 V N -1.765 118.128 119.914 -0.034 0.000 2.407 369 V HA -0.134 3.986 4.120 0.000 0.000 0.248 369 V C 2.113 178.196 176.094 -0.018 0.000 1.055 369 V CA 1.877 64.162 62.300 -0.026 0.000 1.049 369 V CB -0.795 31.013 31.823 -0.025 0.000 0.662 369 V HN 0.268 nan 8.190 nan 0.000 0.455 370 A N 0.512 123.322 122.820 -0.016 0.000 1.930 370 A HA -0.104 4.216 4.320 0.000 0.000 0.217 370 A C 2.292 179.874 177.584 -0.003 0.000 1.175 370 A CA 1.845 53.876 52.037 -0.009 0.000 0.627 370 A CB -0.540 18.455 19.000 -0.009 0.000 0.815 370 A HN 0.621 nan 8.150 nan 0.000 0.443 371 K N -0.550 119.849 120.400 -0.002 0.000 2.211 371 K HA 0.058 4.378 4.320 0.000 0.000 0.203 371 K C 1.480 178.082 176.600 0.004 0.000 1.050 371 K CA 1.063 57.355 56.287 0.008 0.000 0.945 371 K CB -0.195 32.312 32.500 0.012 0.000 0.732 371 K HN 0.447 nan 8.250 nan 0.000 0.451 372 L N -0.757 120.462 121.223 -0.007 0.000 2.513 372 L HA 0.101 4.441 4.340 0.000 0.000 0.222 372 L C 1.792 178.658 176.870 -0.007 0.000 1.096 372 L CA 0.073 54.908 54.840 -0.009 0.000 0.857 372 L CB 0.133 42.181 42.059 -0.019 0.000 1.026 372 L HN 0.134 nan 8.230 nan 0.000 0.469 373 A N -0.315 122.501 122.820 -0.007 0.000 2.284 373 A HA 0.531 4.851 4.320 0.000 0.000 0.219 373 A C 1.463 179.045 177.584 -0.003 0.000 2.353 373 A CA 0.632 52.665 52.037 -0.006 0.000 1.164 373 A CB -1.080 17.915 19.000 -0.008 0.000 1.293 373 A HN 0.204 nan 8.150 nan 0.000 0.586 374 G N -0.918 107.879 108.800 -0.004 0.000 3.229 374 G HA2 0.460 4.420 3.960 0.000 0.000 0.165 374 G HA3 0.460 4.420 3.960 0.000 0.000 0.165 374 G C 0.421 175.320 174.900 -0.001 0.000 1.753 374 G CA 0.304 45.402 45.100 -0.003 0.000 1.054 374 G HN 1.185 nan 8.290 nan 0.000 0.544 375 G N -2.343 106.457 108.800 -0.001 0.000 2.730 375 G HA2 0.521 4.481 3.960 0.000 0.000 0.289 375 G HA3 0.521 4.481 3.960 0.000 0.000 0.289 375 G C -1.813 173.087 174.900 -0.001 0.000 1.341 375 G CA -0.359 44.741 45.100 0.000 0.000 0.932 375 G HN 0.644 nan 8.290 nan 0.000 0.481 376 V N 0.257 120.171 119.914 0.001 0.000 2.448 376 V HA 0.741 4.862 4.120 0.000 0.000 0.295 376 V C 0.285 176.378 176.094 -0.001 0.000 1.025 376 V CA -0.599 61.701 62.300 0.001 0.000 0.859 376 V CB 1.093 32.920 31.823 0.006 0.000 0.988 376 V HN 1.144 nan 8.190 nan 0.000 0.431 377 A N 4.459 127.276 122.820 -0.004 0.000 2.355 377 A HA 0.929 5.249 4.320 0.000 0.000 0.324 377 A C -1.009 176.572 177.584 -0.005 0.000 1.117 377 A CA -0.604 51.430 52.037 -0.005 0.000 0.785 377 A CB 1.857 20.853 19.000 -0.007 0.000 1.254 377 A HN 0.659 nan 8.150 nan 0.000 0.453 378 V N 2.970 122.882 119.914 -0.004 0.000 2.588 378 V HA 0.415 4.535 4.120 0.000 0.000 0.304 378 V C -0.554 175.538 176.094 -0.002 0.000 1.042 378 V CA -0.223 62.075 62.300 -0.002 0.000 0.877 378 V CB 1.661 33.483 31.823 -0.001 0.000 0.996 378 V HN 0.793 nan 8.190 nan 0.000 0.425 379 I N 4.417 124.986 120.570 -0.002 0.000 2.377 379 I HA 0.446 4.616 4.170 0.000 0.000 0.293 379 I C -0.071 176.047 176.117 0.002 0.000 0.987 379 I CA -0.511 60.789 61.300 -0.000 0.000 1.185 379 I CB 1.577 39.577 38.000 -0.000 0.000 1.341 379 I HN 0.490 nan 8.210 nan 0.000 0.455 380 K N 5.833 126.234 120.400 0.002 0.000 2.339 380 K HA 0.481 4.801 4.320 0.000 0.000 0.264 380 K C -1.061 175.541 176.600 0.004 0.000 0.986 380 K CA -0.661 55.628 56.287 0.003 0.000 0.866 380 K CB 1.942 34.444 32.500 0.002 0.000 1.103 380 K HN 0.285 nan 8.250 nan 0.000 0.441 381 V N 2.159 122.077 119.914 0.007 0.000 2.530 381 V HA 0.305 4.425 4.120 0.000 0.000 0.282 381 V C 0.833 176.930 176.094 0.006 0.000 1.048 381 V CA -0.767 61.538 62.300 0.007 0.000 0.997 381 V CB 1.156 32.985 31.823 0.010 0.000 0.987 381 V HN 0.884 nan 8.190 nan 0.000 0.477 382 G N 2.687 111.490 108.800 0.005 0.000 2.389 382 G HA2 0.744 4.704 3.960 0.000 0.000 0.317 382 G HA3 0.744 4.704 3.960 0.000 0.000 0.317 382 G C -0.551 174.352 174.900 0.004 0.000 1.137 382 G CA -0.044 45.058 45.100 0.004 0.000 0.870 382 G HN 1.303 nan 8.290 nan 0.000 0.496 383 A N 0.243 123.065 122.820 0.004 0.000 2.577 383 A HA 0.741 5.061 4.320 0.000 0.000 0.297 383 A C 0.656 178.241 177.584 0.003 0.000 1.060 383 A CA 0.301 52.340 52.037 0.004 0.000 0.697 383 A CB 0.979 19.982 19.000 0.005 0.000 1.281 383 A HN 1.739 nan 8.150 nan 0.000 0.402 384 A N 0.875 123.697 122.820 0.002 0.000 1.898 384 A HA 0.333 4.653 4.320 0.000 0.000 0.216 384 A C 1.439 179.024 177.584 0.002 0.000 1.181 384 A CA 2.443 54.481 52.037 0.002 0.000 0.620 384 A CB -0.703 18.297 19.000 0.001 0.000 0.819 384 A HN 1.785 nan 8.150 nan 0.000 0.442 385 T N -4.475 110.080 114.554 0.003 0.000 2.870 385 T HA 0.525 4.875 4.350 0.000 0.000 0.277 385 T C 0.549 175.252 174.700 0.005 0.000 1.000 385 T CA -0.078 62.024 62.100 0.003 0.000 0.982 385 T CB 1.703 70.572 68.868 0.002 0.000 1.249 385 T HN 0.198 nan 8.240 nan 0.000 0.589 386 E N -0.446 119.758 120.200 0.006 0.000 2.251 386 E HA 0.019 4.369 4.350 0.000 0.000 0.194 386 E C 2.152 178.757 176.600 0.008 0.000 0.964 386 E CA 0.474 56.879 56.400 0.009 0.000 0.868 386 E CB 0.102 29.808 29.700 0.011 0.000 0.828 386 E HN 0.563 nan 8.360 nan 0.000 0.481 387 V N -0.328 119.588 119.914 0.004 0.000 2.594 387 V HA -0.170 3.950 4.120 0.000 0.000 0.253 387 V C 2.040 178.136 176.094 0.002 0.000 1.069 387 V CA 1.830 64.131 62.300 0.002 0.000 1.082 387 V CB -0.489 31.333 31.823 -0.003 0.000 0.680 387 V HN 0.166 nan 8.190 nan 0.000 0.469 388 E N -0.305 119.896 120.200 0.003 0.000 2.102 388 E HA -0.119 4.231 4.350 0.000 0.000 0.190 388 E C 2.090 178.694 176.600 0.006 0.000 0.971 388 E CA 0.950 57.352 56.400 0.003 0.000 0.821 388 E CB -0.052 29.649 29.700 0.002 0.000 0.777 388 E HN 0.495 nan 8.360 nan 0.000 0.460 389 M N 1.629 121.233 119.600 0.007 0.000 2.073 389 M HA -0.211 4.269 4.480 0.000 0.000 0.258 389 M C 1.825 178.133 176.300 0.012 0.000 1.070 389 M CA 1.754 57.060 55.300 0.010 0.000 1.103 389 M CB -0.140 32.467 32.600 0.010 0.000 1.321 389 M HN -0.113 nan 8.290 nan 0.000 0.405 390 K N -0.303 120.105 120.400 0.014 0.000 1.987 390 K HA -0.264 4.056 4.320 0.000 0.000 0.216 390 K C 1.995 178.604 176.600 0.015 0.000 1.051 390 K CA 2.242 58.539 56.287 0.016 0.000 0.942 390 K CB -0.637 31.873 32.500 0.017 0.000 0.722 390 K HN 0.548 nan 8.250 nan 0.000 0.444 391 E N 1.677 121.883 120.200 0.010 0.000 2.077 391 E HA -0.232 4.118 4.350 0.000 0.000 0.193 391 E C 1.936 178.542 176.600 0.011 0.000 0.989 391 E CA 1.882 58.287 56.400 0.009 0.000 0.800 391 E CB -0.095 29.608 29.700 0.004 0.000 0.746 391 E HN 0.127 nan 8.360 nan 0.000 0.452 392 K N 0.856 121.263 120.400 0.010 0.000 2.025 392 K HA -0.159 4.161 4.320 0.000 0.000 0.207 392 K C 2.167 178.777 176.600 0.016 0.000 1.049 392 K CA 1.939 58.232 56.287 0.011 0.000 0.933 392 K CB -0.284 32.221 32.500 0.009 0.000 0.714 392 K HN 0.141 nan 8.250 nan 0.000 0.438 393 K N -0.024 120.386 120.400 0.017 0.000 2.044 393 K HA -0.166 4.154 4.320 0.000 0.000 0.210 393 K C 1.947 178.565 176.600 0.030 0.000 1.049 393 K CA 1.649 57.949 56.287 0.022 0.000 0.927 393 K CB -0.469 32.044 32.500 0.022 0.000 0.713 393 K HN 0.221 nan 8.250 nan 0.000 0.443 394 A N 1.268 124.104 122.820 0.028 0.000 1.892 394 A HA -0.210 4.110 4.320 0.000 0.000 0.218 394 A C 2.165 179.770 177.584 0.036 0.000 1.188 394 A CA 1.865 53.921 52.037 0.032 0.000 0.631 394 A CB -0.607 18.407 19.000 0.022 0.000 0.822 394 A HN 0.397 nan 8.150 nan 0.000 0.447 395 R N -0.760 119.756 120.500 0.028 0.000 2.073 395 R HA -0.095 4.245 4.340 0.000 0.000 0.234 395 R C 2.068 178.391 176.300 0.038 0.000 1.134 395 R CA 1.526 57.643 56.100 0.028 0.000 0.952 395 R CB -0.614 29.697 30.300 0.019 0.000 0.850 395 R HN 0.422 nan 8.270 nan 0.000 0.433 396 V N 1.504 121.438 119.914 0.034 0.000 2.332 396 V HA -0.248 3.872 4.120 0.000 0.000 0.248 396 V C 2.195 178.320 176.094 0.051 0.000 1.055 396 V CA 1.787 64.107 62.300 0.034 0.000 1.038 396 V CB -0.508 31.329 31.823 0.023 0.000 0.651 396 V HN 0.338 nan 8.190 nan 0.000 0.450 397 E N 0.049 120.291 120.200 0.071 0.000 2.051 397 E HA -0.272 4.078 4.350 0.000 0.000 0.192 397 E C 2.014 178.761 176.600 0.245 0.000 0.991 397 E CA 1.725 58.203 56.400 0.129 0.000 0.799 397 E CB -0.319 29.464 29.700 0.138 0.000 0.748 397 E HN 0.634 nan 8.360 nan 0.000 0.449 398 D N 0.361 120.856 120.400 0.157 0.000 2.106 398 D HA -0.170 4.470 4.640 0.000 0.000 0.191 398 D C 1.843 178.226 176.300 0.139 0.000 0.997 398 D CA 1.920 55.995 54.000 0.125 0.000 0.834 398 D CB -0.095 40.737 40.800 0.053 0.000 0.956 398 D HN 0.189 nan 8.370 nan 0.000 0.448 399 A N 0.209 123.084 122.820 0.091 0.000 1.897 399 A HA -0.075 4.245 4.320 0.000 0.000 0.215 399 A C 2.169 179.790 177.584 0.062 0.000 1.181 399 A CA 0.580 52.657 52.037 0.065 0.000 0.620 399 A CB -0.721 18.302 19.000 0.039 0.000 0.821 399 A HN 0.302 nan 8.150 nan 0.000 0.443 400 L N -0.489 120.761 121.223 0.046 0.000 2.051 400 L HA -0.291 4.049 4.340 0.000 0.000 0.214 400 L C 2.377 179.220 176.870 -0.045 0.000 1.076 400 L CA 2.690 57.519 54.840 -0.019 0.000 0.758 400 L CB -1.046 40.975 42.059 -0.063 0.000 0.890 400 L HN 0.579 nan 8.230 nan 0.000 0.433 401 H N -0.949 118.130 119.070 0.014 0.000 2.299 401 H HA -0.071 4.485 4.556 -0.000 0.000 0.302 401 H C 2.217 177.555 175.328 0.017 0.000 1.078 401 H CA 1.726 57.784 56.048 0.017 0.000 1.323 401 H CB -0.096 29.677 29.762 0.019 0.000 1.381 401 H HN 0.459 nan 8.280 nan 0.000 0.498 402 A N 0.291 123.204 122.820 0.155 0.000 1.908 402 A HA -0.234 4.086 4.320 0.000 0.000 0.218 402 A C 2.485 180.103 177.584 0.057 0.000 1.181 402 A CA 2.274 54.364 52.037 0.090 0.000 0.627 402 A CB -1.197 17.842 19.000 0.066 0.000 0.818 402 A HN 0.635 nan 8.150 nan 0.000 0.445 403 T N -1.489 113.091 114.554 0.042 0.000 2.652 403 T HA -0.211 4.139 4.350 0.000 0.000 0.267 403 T C 1.900 176.612 174.700 0.020 0.000 1.039 403 T CA 1.245 63.359 62.100 0.023 0.000 1.153 403 T CB -0.505 68.370 68.868 0.011 0.000 0.863 403 T HN 0.472 nan 8.240 nan 0.000 0.428 404 R N 1.539 122.047 120.500 0.014 0.000 2.211 404 R HA 0.047 4.387 4.340 0.000 0.000 0.240 404 R C 2.717 179.034 176.300 0.028 0.000 1.144 404 R CA 1.273 57.379 56.100 0.010 0.000 0.992 404 R CB -0.707 29.587 30.300 -0.010 0.000 0.869 404 R HN 0.626 nan 8.270 nan 0.000 0.462 405 A N 0.695 123.541 122.820 0.044 0.000 1.943 405 A HA 0.142 4.462 4.320 0.000 0.000 0.213 405 A C 2.315 179.918 177.584 0.033 0.000 1.181 405 A CA 0.941 53.006 52.037 0.046 0.000 0.653 405 A CB -0.209 18.828 19.000 0.061 0.000 0.833 405 A HN 0.298 nan 8.150 nan 0.000 0.451 406 A N -0.339 122.498 122.820 0.029 0.000 1.933 406 A HA 0.004 4.324 4.320 0.000 0.000 0.218 406 A C 2.164 179.758 177.584 0.017 0.000 1.175 406 A CA 1.777 53.827 52.037 0.022 0.000 0.628 406 A CB -0.802 18.209 19.000 0.020 0.000 0.814 406 A HN 0.339 nan 8.150 nan 0.000 0.444 407 V N 1.010 120.933 119.914 0.015 0.000 2.427 407 V HA -0.247 3.873 4.120 0.000 0.000 0.248 407 V C 2.495 178.595 176.094 0.011 0.000 1.051 407 V CA 2.252 64.559 62.300 0.011 0.000 1.048 407 V CB -0.795 31.032 31.823 0.007 0.000 0.666 407 V HN 0.914 nan 8.190 nan 0.000 0.456 408 E N -0.146 120.063 120.200 0.014 0.000 2.318 408 E HA -0.118 4.232 4.350 0.000 0.000 0.193 408 E C 1.749 178.357 176.600 0.014 0.000 0.998 408 E CA 1.062 57.470 56.400 0.014 0.000 0.859 408 E CB 0.072 29.782 29.700 0.017 0.000 0.812 408 E HN 0.646 nan 8.360 nan 0.000 0.492 409 E N 0.053 120.263 120.200 0.016 0.000 2.639 409 E HA 0.217 4.567 4.350 0.000 0.000 0.225 409 E C 0.188 176.796 176.600 0.013 0.000 0.921 409 E CA 0.339 56.747 56.400 0.014 0.000 1.184 409 E CB 1.159 30.869 29.700 0.016 0.000 1.160 409 E HN 0.326 nan 8.360 nan 0.000 0.547 410 G N 0.322 109.130 108.800 0.014 0.000 2.660 410 G HA2 -0.173 3.787 3.960 0.000 0.000 0.247 410 G HA3 -0.173 3.787 3.960 0.000 0.000 0.247 410 G C -0.533 174.376 174.900 0.014 0.000 1.328 410 G CA -0.518 44.590 45.100 0.013 0.000 0.884 410 G HN 0.627 nan 8.290 nan 0.000 0.531 411 V N -2.572 117.350 119.914 0.014 0.000 2.914 411 V HA 0.977 5.097 4.120 0.000 0.000 0.314 411 V C 0.698 176.801 176.094 0.015 0.000 1.084 411 V CA 0.025 62.334 62.300 0.015 0.000 0.963 411 V CB 1.110 32.942 31.823 0.015 0.000 1.025 411 V HN 2.432 nan 8.190 nan 0.000 0.432 412 V N -0.733 119.191 119.914 0.016 0.000 3.156 412 V HA 1.031 5.151 4.120 0.000 0.000 0.311 412 V C 0.346 176.451 176.094 0.020 0.000 1.208 412 V CA -0.669 61.642 62.300 0.018 0.000 1.063 412 V CB 1.498 33.331 31.823 0.017 0.000 1.098 412 V HN 1.890 nan 8.190 nan 0.000 0.452 413 A N 0.702 123.537 122.820 0.024 0.000 2.404 413 A HA 0.740 5.060 4.320 0.000 0.000 0.273 413 A C 0.764 178.362 177.584 0.023 0.000 1.144 413 A CA 0.402 52.454 52.037 0.025 0.000 0.806 413 A CB -0.322 18.699 19.000 0.035 0.000 1.080 413 A HN 1.879 nan 8.150 nan 0.000 0.509 414 G N 0.920 109.730 108.800 0.018 0.000 2.525 414 G HA2 0.483 4.444 3.960 0.000 0.000 0.276 414 G HA3 0.483 4.444 3.960 0.000 0.000 0.276 414 G C 1.180 176.093 174.900 0.021 0.000 1.388 414 G CA 0.036 45.146 45.100 0.016 0.000 1.050 414 G HN 2.218 nan 8.290 nan 0.000 0.520 415 G N -2.276 106.536 108.800 0.021 0.000 2.166 415 G HA2 0.197 4.157 3.960 0.000 0.000 0.260 415 G HA3 0.197 4.157 3.960 0.000 0.000 0.260 415 G C 1.506 176.432 174.900 0.042 0.000 0.986 415 G CA 1.139 46.261 45.100 0.036 0.000 0.683 415 G HN 2.514 nan 8.290 nan 0.000 0.527 416 G N -2.143 106.677 108.800 0.033 0.000 2.179 416 G HA2 -0.081 3.879 3.960 0.000 0.000 0.257 416 G HA3 -0.081 3.879 3.960 0.000 0.000 0.257 416 G C 1.664 176.586 174.900 0.036 0.000 1.010 416 G CA 1.660 46.779 45.100 0.032 0.000 0.736 416 G HN 2.013 nan 8.290 nan 0.000 0.513 417 V N 0.043 119.981 119.914 0.040 0.000 2.270 417 V HA 0.159 4.279 4.120 0.000 0.000 0.245 417 V C 3.005 179.123 176.094 0.041 0.000 1.043 417 V CA 2.716 65.043 62.300 0.046 0.000 1.014 417 V CB -0.728 31.126 31.823 0.052 0.000 0.645 417 V HN 1.505 nan 8.190 nan 0.000 0.447 418 A N 0.187 123.028 122.820 0.035 0.000 1.909 418 A HA -0.292 4.028 4.320 0.000 0.000 0.221 418 A C 2.183 179.781 177.584 0.025 0.000 1.223 418 A CA 2.735 54.789 52.037 0.029 0.000 0.658 418 A CB -1.091 17.923 19.000 0.023 0.000 0.831 418 A HN 0.566 nan 8.150 nan 0.000 0.462 419 L N -1.083 120.153 121.223 0.023 0.000 2.017 419 L HA -0.106 4.234 4.340 0.000 0.000 0.208 419 L C 2.404 179.287 176.870 0.021 0.000 1.073 419 L CA 1.840 56.691 54.840 0.019 0.000 0.745 419 L CB -0.701 41.368 42.059 0.017 0.000 0.894 419 L HN 0.485 nan 8.230 nan 0.000 0.432 420 I N -1.420 119.167 120.570 0.027 0.000 2.361 420 I HA -0.300 3.870 4.170 0.000 0.000 0.251 420 I C 2.487 178.622 176.117 0.030 0.000 1.133 420 I CA 0.845 62.162 61.300 0.029 0.000 1.413 420 I CB -0.100 37.922 38.000 0.037 0.000 1.073 420 I HN 0.181 nan 8.210 nan 0.000 0.424 421 R N -0.055 120.465 120.500 0.033 0.000 2.057 421 R HA -0.081 4.259 4.340 0.000 0.000 0.229 421 R C 2.321 178.634 176.300 0.023 0.000 1.136 421 R CA 1.752 57.872 56.100 0.033 0.000 0.952 421 R CB -1.346 28.976 30.300 0.037 0.000 0.848 421 R HN 0.437 nan 8.270 nan 0.000 0.430 422 V N -0.232 119.693 119.914 0.018 0.000 2.626 422 V HA -0.029 4.091 4.120 0.000 0.000 0.252 422 V C 1.932 178.032 176.094 0.011 0.000 1.067 422 V CA 1.886 64.194 62.300 0.013 0.000 1.081 422 V CB -0.652 31.176 31.823 0.009 0.000 0.686 422 V HN 0.220 nan 8.190 nan 0.000 0.468 423 A N 1.375 124.202 122.820 0.012 0.000 1.972 423 A HA -0.139 4.181 4.320 0.000 0.000 0.219 423 A C 2.562 180.152 177.584 0.010 0.000 1.169 423 A CA 2.348 54.392 52.037 0.011 0.000 0.635 423 A CB -0.924 18.083 19.000 0.012 0.000 0.810 423 A HN 1.024 nan 8.150 nan 0.000 0.446 424 S N -0.737 114.971 115.700 0.013 0.000 2.461 424 S HA -0.015 4.455 4.470 0.000 0.000 0.228 424 S C 1.695 176.300 174.600 0.008 0.000 1.005 424 S CA 1.138 59.344 58.200 0.011 0.000 0.942 424 S CB -0.158 63.050 63.200 0.013 0.000 0.776 424 S HN 0.518 nan 8.310 nan 0.000 0.514 425 K N 0.925 121.331 120.400 0.009 0.000 2.211 425 K HA 0.226 4.546 4.320 0.000 0.000 0.203 425 K C 1.105 177.707 176.600 0.005 0.000 1.050 425 K CA 0.857 57.148 56.287 0.007 0.000 0.945 425 K CB -0.220 32.284 32.500 0.007 0.000 0.732 425 K HN 0.424 nan 8.250 nan 0.000 0.451 426 L N -0.474 120.752 121.223 0.005 0.000 2.741 426 L HA 0.263 4.603 4.340 0.000 0.000 0.237 426 L C 1.564 178.436 176.870 0.003 0.000 1.178 426 L CA -0.295 54.547 54.840 0.003 0.000 0.973 426 L CB 0.216 42.277 42.059 0.003 0.000 1.255 426 L HN 0.039 nan 8.230 nan 0.000 0.498 427 A N 0.021 122.843 122.820 0.003 0.000 2.076 427 A HA -0.193 4.127 4.320 0.000 0.000 0.220 427 A C 1.473 179.058 177.584 0.002 0.000 1.160 427 A CA 1.704 53.743 52.037 0.003 0.000 0.653 427 A CB -0.216 18.785 19.000 0.003 0.000 0.801 427 A HN 0.356 nan 8.150 nan 0.000 0.455 428 D N -1.397 119.004 120.400 0.002 0.000 2.395 428 D HA 0.210 4.850 4.640 0.000 0.000 0.213 428 D C -0.127 176.174 176.300 0.001 0.000 1.110 428 D CA -0.278 53.723 54.000 0.001 0.000 0.835 428 D CB 0.087 40.887 40.800 0.001 0.000 0.965 428 D HN 0.286 nan 8.370 nan 0.000 0.505 429 L N 1.711 122.935 121.223 0.001 0.000 2.416 429 L HA 0.206 4.546 4.340 0.000 0.000 0.272 429 L C 0.231 177.101 176.870 0.001 0.000 1.161 429 L CA 0.452 55.293 54.840 0.001 0.000 0.845 429 L CB 0.182 42.242 42.059 0.001 0.000 1.119 429 L HN -0.185 nan 8.230 nan 0.000 0.464 430 R N 2.859 123.360 120.500 0.001 0.000 2.836 430 R HA 0.719 5.059 4.340 0.000 0.000 0.269 430 R C -0.356 175.944 176.300 0.001 0.000 1.010 430 R CA -0.559 55.542 56.100 0.001 0.000 0.930 430 R CB 1.586 31.887 30.300 0.001 0.000 1.218 430 R HN 0.790 nan 8.270 nan 0.000 0.473 431 G N -0.338 108.463 108.800 0.002 0.000 3.107 431 G HA2 0.189 4.149 3.960 0.000 0.000 0.232 431 G HA3 0.189 4.149 3.960 0.000 0.000 0.232 431 G C 0.140 175.041 174.900 0.002 0.000 1.339 431 G CA -0.347 44.754 45.100 0.002 0.000 1.033 431 G HN 0.454 nan 8.290 nan 0.000 0.567 432 Q N -0.167 119.634 119.800 0.002 0.000 2.291 432 Q HA 0.013 4.353 4.340 0.000 0.000 0.205 432 Q C 0.455 176.457 176.000 0.002 0.000 0.970 432 Q CA 1.082 56.886 55.803 0.002 0.000 0.876 432 Q CB -0.040 28.699 28.738 0.003 0.000 0.935 432 Q HN 0.588 nan 8.270 nan 0.000 0.455 433 N N -1.878 116.823 118.700 0.002 0.000 2.961 433 N HA -0.037 4.703 4.740 0.000 0.000 0.245 433 N C -0.091 175.420 175.510 0.002 0.000 1.404 433 N CA -0.263 52.789 53.050 0.002 0.000 0.880 433 N CB 1.122 39.611 38.487 0.003 0.000 1.461 433 N HN -0.207 nan 8.380 nan 0.000 0.510 434 E N 0.560 120.761 120.200 0.002 0.000 2.085 434 E HA -0.170 4.180 4.350 0.000 0.000 0.194 434 E C 0.530 177.131 176.600 0.003 0.000 0.994 434 E CA 1.996 58.397 56.400 0.002 0.000 0.801 434 E CB -0.223 29.478 29.700 0.002 0.000 0.743 434 E HN 0.571 nan 8.360 nan 0.000 0.453 435 D N 0.161 120.563 120.400 0.003 0.000 2.116 435 D HA -0.188 4.452 4.640 0.000 0.000 0.193 435 D C 1.931 178.233 176.300 0.004 0.000 0.998 435 D CA 1.209 55.211 54.000 0.004 0.000 0.836 435 D CB -0.352 40.451 40.800 0.005 0.000 0.951 435 D HN 0.368 nan 8.370 nan 0.000 0.449 436 Q N -0.089 119.713 119.800 0.004 0.000 2.181 436 Q HA -0.141 4.199 4.340 0.000 0.000 0.205 436 Q C 1.719 177.722 176.000 0.004 0.000 0.980 436 Q CA 0.855 56.661 55.803 0.004 0.000 0.862 436 Q CB 0.012 28.752 28.738 0.004 0.000 0.905 436 Q HN 0.261 nan 8.270 nan 0.000 0.429 437 N N -0.339 118.363 118.700 0.003 0.000 2.142 437 N HA -0.108 4.632 4.740 0.000 0.000 0.186 437 N C 1.786 177.298 175.510 0.003 0.000 1.023 437 N CA 0.902 53.954 53.050 0.003 0.000 0.852 437 N CB -0.307 38.181 38.487 0.002 0.000 0.998 437 N HN 0.033 nan 8.380 nan 0.000 0.424 438 V N 0.864 120.780 119.914 0.003 0.000 2.407 438 V HA -0.141 3.979 4.120 0.000 0.000 0.248 438 V C 2.387 178.484 176.094 0.004 0.000 1.055 438 V CA 1.966 64.268 62.300 0.004 0.000 1.049 438 V CB -1.240 30.585 31.823 0.004 0.000 0.662 438 V HN 0.340 nan 8.190 nan 0.000 0.455 439 G N 0.075 108.877 108.800 0.005 0.000 2.459 439 G HA2 -0.251 3.709 3.960 0.000 0.000 0.217 439 G HA3 -0.251 3.709 3.960 0.000 0.000 0.217 439 G C 1.581 176.484 174.900 0.005 0.000 1.183 439 G CA 1.198 46.301 45.100 0.006 0.000 0.776 439 G HN 0.471 nan 8.290 nan 0.000 0.552 440 I N 0.291 120.863 120.570 0.004 0.000 2.118 440 I HA -0.212 3.958 4.170 0.000 0.000 0.241 440 I C 2.804 178.923 176.117 0.004 0.000 1.070 440 I CA 1.527 62.828 61.300 0.003 0.000 1.327 440 I CB -0.127 37.874 38.000 0.003 0.000 1.034 440 I HN 0.033 nan 8.210 nan 0.000 0.405 441 K N 0.389 120.791 120.400 0.004 0.000 2.103 441 K HA -0.116 4.204 4.320 0.000 0.000 0.207 441 K C 1.923 178.526 176.600 0.005 0.000 1.048 441 K CA 0.935 57.224 56.287 0.004 0.000 0.930 441 K CB -0.571 31.931 32.500 0.004 0.000 0.716 441 K HN 0.111 nan 8.250 nan 0.000 0.444 442 V N 0.487 120.404 119.914 0.005 0.000 2.282 442 V HA -0.325 3.795 4.120 0.000 0.000 0.249 442 V C 2.148 178.246 176.094 0.007 0.000 1.057 442 V CA 2.203 64.506 62.300 0.006 0.000 1.032 442 V CB -0.659 31.168 31.823 0.007 0.000 0.645 442 V HN 0.432 nan 8.190 nan 0.000 0.447 443 A N -0.667 122.157 122.820 0.006 0.000 1.897 443 A HA -0.085 4.235 4.320 0.000 0.000 0.215 443 A C 2.148 179.736 177.584 0.006 0.000 1.181 443 A CA 1.479 53.520 52.037 0.006 0.000 0.620 443 A CB -0.451 18.552 19.000 0.004 0.000 0.821 443 A HN 0.510 nan 8.150 nan 0.000 0.443 444 L N -1.161 120.065 121.223 0.006 0.000 2.042 444 L HA -0.204 4.136 4.340 0.000 0.000 0.210 444 L C 2.825 179.700 176.870 0.007 0.000 1.076 444 L CA 1.720 56.564 54.840 0.006 0.000 0.749 444 L CB -0.577 41.486 42.059 0.006 0.000 0.893 444 L HN 0.371 nan 8.230 nan 0.000 0.432 445 R N -0.078 120.426 120.500 0.007 0.000 2.096 445 R HA -0.123 4.217 4.340 0.000 0.000 0.235 445 R C 2.434 178.739 176.300 0.008 0.000 1.127 445 R CA 1.270 57.374 56.100 0.007 0.000 0.968 445 R CB -0.272 30.032 30.300 0.006 0.000 0.861 445 R HN 0.374 nan 8.270 nan 0.000 0.440 446 A N 0.523 123.348 122.820 0.009 0.000 1.933 446 A HA -0.183 4.137 4.320 0.000 0.000 0.218 446 A C 2.059 179.650 177.584 0.011 0.000 1.175 446 A CA 1.241 53.284 52.037 0.010 0.000 0.628 446 A CB -0.384 18.622 19.000 0.011 0.000 0.814 446 A HN 0.264 nan 8.150 nan 0.000 0.444 447 M N -0.422 119.185 119.600 0.011 0.000 2.426 447 M HA -0.189 4.291 4.480 0.000 0.000 0.261 447 M C 1.472 177.781 176.300 0.015 0.000 1.068 447 M CA 1.323 56.630 55.300 0.012 0.000 1.066 447 M CB -0.238 32.368 32.600 0.011 0.000 1.399 447 M HN 0.478 nan 8.290 nan 0.000 0.449 448 E N -0.584 119.625 120.200 0.014 0.000 2.481 448 E HA -0.023 4.327 4.350 0.000 0.000 0.195 448 E C 1.882 178.490 176.600 0.014 0.000 1.047 448 E CA 0.413 56.821 56.400 0.015 0.000 0.867 448 E CB 0.061 29.768 29.700 0.012 0.000 0.858 448 E HN 0.525 nan 8.360 nan 0.000 0.513 449 A N 2.215 125.043 122.820 0.014 0.000 1.858 449 A HA -0.092 4.228 4.320 0.000 0.000 0.216 449 A C -0.314 177.279 177.584 0.015 0.000 1.190 449 A CA 0.998 53.042 52.037 0.013 0.000 0.617 449 A CB -1.362 17.645 19.000 0.013 0.000 0.827 449 A HN 0.112 nan 8.150 nan 0.000 0.443 450 P HA -0.182 nan 4.420 nan 0.000 0.215 450 P C 1.795 179.110 177.300 0.024 0.000 1.157 450 P CA 1.059 64.172 63.100 0.021 0.000 0.874 450 P CB -0.116 31.597 31.700 0.022 0.000 0.790 451 L N -1.044 120.195 121.223 0.026 0.000 2.046 451 L HA -0.173 4.167 4.340 0.000 0.000 0.208 451 L C 2.473 179.356 176.870 0.021 0.000 1.077 451 L CA 1.691 56.550 54.840 0.033 0.000 0.747 451 L CB -0.246 41.834 42.059 0.036 0.000 0.896 451 L HN -0.212 nan 8.230 nan 0.000 0.432 452 R N -0.851 119.656 120.500 0.012 0.000 2.096 452 R HA -0.167 4.173 4.340 0.000 0.000 0.235 452 R C 2.399 178.701 176.300 0.004 0.000 1.127 452 R CA 1.436 57.537 56.100 0.001 0.000 0.968 452 R CB -0.192 30.109 30.300 0.001 0.000 0.861 452 R HN 0.408 nan 8.270 nan 0.000 0.440 453 Q N 0.251 120.057 119.800 0.010 0.000 2.123 453 Q HA -0.044 4.296 4.340 0.000 0.000 0.199 453 Q C 2.156 178.166 176.000 0.017 0.000 0.966 453 Q CA 1.199 57.009 55.803 0.012 0.000 0.845 453 Q CB -0.003 28.742 28.738 0.013 0.000 0.907 453 Q HN 0.398 nan 8.270 nan 0.000 0.439 454 I N -0.158 120.427 120.570 0.026 0.000 2.208 454 I HA -0.288 3.882 4.170 0.000 0.000 0.245 454 I C 2.210 178.356 176.117 0.048 0.000 1.097 454 I CA 0.949 62.272 61.300 0.038 0.000 1.363 454 I CB -0.170 37.861 38.000 0.051 0.000 1.051 454 I HN -0.012 nan 8.210 nan 0.000 0.413 455 V N 0.127 120.063 119.914 0.037 0.000 2.379 455 V HA -0.236 3.884 4.120 0.000 0.000 0.245 455 V C 2.286 178.384 176.094 0.006 0.000 1.044 455 V CA 1.142 63.453 62.300 0.018 0.000 1.036 455 V CB -0.392 31.395 31.823 -0.060 0.000 0.664 455 V HN 0.304 nan 8.190 nan 0.000 0.453 456 L N 0.794 122.018 121.223 0.001 0.000 2.079 456 L HA -0.178 4.162 4.340 0.000 0.000 0.210 456 L C 2.031 178.906 176.870 0.008 0.000 1.081 456 L CA 1.919 56.759 54.840 0.001 0.000 0.752 456 L CB -1.409 40.650 42.059 0.000 0.000 0.896 456 L HN 0.436 nan 8.230 nan 0.000 0.433 457 N N -2.195 116.513 118.700 0.013 0.000 2.520 457 N HA -0.159 4.581 4.740 0.000 0.000 0.185 457 N C 1.481 177.001 175.510 0.017 0.000 1.068 457 N CA 0.946 54.004 53.050 0.014 0.000 0.911 457 N CB -0.077 38.418 38.487 0.014 0.000 0.961 457 N HN 0.374 nan 8.380 nan 0.000 0.446 458 C N -0.337 118.979 119.300 0.026 0.000 2.696 458 C HA 0.245 4.705 4.460 0.000 0.000 0.264 458 C C 1.713 176.717 174.990 0.023 0.000 1.288 458 C CA 0.103 59.140 59.018 0.033 0.000 1.717 458 C CB -0.846 26.935 27.740 0.069 0.000 1.893 458 C HN 0.638 nan 8.230 nan 0.000 0.577 459 G N 1.474 110.282 108.800 0.014 0.000 2.143 459 G HA2 -0.207 3.753 3.960 0.000 0.000 0.248 459 G HA3 -0.207 3.753 3.960 0.000 0.000 0.248 459 G C -0.281 174.622 174.900 0.005 0.000 0.991 459 G CA 0.318 45.423 45.100 0.008 0.000 0.689 459 G HN 0.611 nan 8.290 nan 0.000 0.522 460 E N 0.016 120.216 120.200 0.000 0.000 2.281 460 E HA 0.488 4.838 4.350 0.000 0.000 0.257 460 E C -0.071 176.508 176.600 -0.036 0.000 0.971 460 E CA -0.902 55.487 56.400 -0.018 0.000 0.839 460 E CB 0.857 30.539 29.700 -0.030 0.000 1.238 460 E HN 0.402 nan 8.360 nan 0.000 0.412 461 E N 1.702 121.875 120.200 -0.046 0.000 2.166 461 E HA 0.066 4.416 4.350 0.000 0.000 0.279 461 E C -2.061 174.502 176.600 -0.061 0.000 1.095 461 E CA -1.534 54.842 56.400 -0.041 0.000 0.888 461 E CB 0.713 30.396 29.700 -0.028 0.000 1.041 461 E HN 0.241 nan 8.360 nan 0.000 0.414 462 P HA -0.134 nan 4.420 nan 0.000 0.219 462 P C 1.241 178.515 177.300 -0.042 0.000 1.150 462 P CA 0.992 64.063 63.100 -0.049 0.000 0.814 462 P CB 0.243 31.928 31.700 -0.026 0.000 0.787 463 S N -1.983 113.699 115.700 -0.030 0.000 2.528 463 S HA 0.030 4.500 4.470 0.000 0.000 0.219 463 S C 1.810 176.397 174.600 -0.022 0.000 0.985 463 S CA 0.220 58.408 58.200 -0.021 0.000 0.914 463 S CB -1.149 62.044 63.200 -0.013 0.000 0.776 463 S HN -0.060 nan 8.310 nan 0.000 0.526 464 V N 1.175 121.070 119.914 -0.031 0.000 2.426 464 V HA -0.016 4.104 4.120 0.000 0.000 0.242 464 V C 2.470 178.549 176.094 -0.026 0.000 1.036 464 V CA 1.011 63.297 62.300 -0.023 0.000 1.044 464 V CB -0.229 31.584 31.823 -0.017 0.000 0.688 464 V HN 0.398 nan 8.190 nan 0.000 0.462 465 V N 0.478 120.348 119.914 -0.074 0.000 2.261 465 V HA -0.261 3.859 4.120 0.000 0.000 0.246 465 V C 2.760 178.842 176.094 -0.020 0.000 1.047 465 V CA 2.178 64.424 62.300 -0.090 0.000 1.015 465 V CB -1.129 30.472 31.823 -0.370 0.000 0.642 465 V HN 0.552 nan 8.190 nan 0.000 0.446 466 A N 0.191 122.994 122.820 -0.029 0.000 1.917 466 A HA -0.322 3.998 4.320 0.000 0.000 0.219 466 A C 2.030 179.617 177.584 0.005 0.000 1.182 466 A CA 2.510 54.546 52.037 -0.001 0.000 0.633 466 A CB -0.890 18.108 19.000 -0.004 0.000 0.819 466 A HN 0.604 nan 8.150 nan 0.000 0.448 467 N N -0.422 118.274 118.700 -0.007 0.000 2.069 467 N HA -0.147 4.593 4.740 0.000 0.000 0.191 467 N C 2.034 177.535 175.510 -0.015 0.000 1.031 467 N CA 2.476 55.521 53.050 -0.009 0.000 0.852 467 N CB -0.664 37.814 38.487 -0.014 0.000 1.018 467 N HN 0.720 nan 8.380 nan 0.000 0.423 468 T N -2.267 112.261 114.554 -0.043 0.000 2.904 468 T HA 0.018 4.368 4.350 0.000 0.000 0.267 468 T C 2.005 176.709 174.700 0.007 0.000 1.059 468 T CA 0.867 62.910 62.100 -0.095 0.000 1.137 468 T CB -0.628 68.057 68.868 -0.305 0.000 0.879 468 T HN -0.075 nan 8.240 nan 0.000 0.467 469 V N 1.730 121.660 119.914 0.026 0.000 2.358 469 V HA -0.087 4.033 4.120 0.000 0.000 0.246 469 V C 2.801 178.980 176.094 0.141 0.000 1.047 469 V CA 1.708 64.071 62.300 0.105 0.000 1.035 469 V CB -0.552 31.320 31.823 0.081 0.000 0.658 469 V HN 0.504 nan 8.190 nan 0.000 0.452 470 K N 0.240 120.683 120.400 0.072 0.000 2.211 470 K HA -0.070 4.250 4.320 0.000 0.000 0.203 470 K C 2.075 178.702 176.600 0.045 0.000 1.050 470 K CA 1.183 57.502 56.287 0.054 0.000 0.945 470 K CB -0.444 32.073 32.500 0.028 0.000 0.732 470 K HN 0.564 nan 8.250 nan 0.000 0.451 471 G N 0.808 109.630 108.800 0.037 0.000 2.679 471 G HA2 -0.054 3.906 3.960 0.000 0.000 0.212 471 G HA3 -0.054 3.906 3.960 0.000 0.000 0.212 471 G C 0.669 175.546 174.900 -0.037 0.000 1.137 471 G CA 0.514 45.612 45.100 -0.004 0.000 0.787 471 G HN 0.339 nan 8.290 nan 0.000 0.534 472 G N -0.938 107.874 108.800 0.021 0.000 2.736 472 G HA2 0.538 4.498 3.960 0.000 0.000 0.229 472 G HA3 0.538 4.498 3.960 0.000 0.000 0.229 472 G C -1.207 173.687 174.900 -0.010 0.000 1.380 472 G CA -0.495 44.544 45.100 -0.103 0.000 1.040 472 G HN 0.099 nan 8.290 nan 0.000 0.568 473 D N -1.903 118.492 120.400 -0.008 0.000 2.552 473 D HA 0.500 5.140 4.640 0.000 0.000 0.239 473 D C 0.971 177.313 176.300 0.071 0.000 1.139 473 D CA 0.526 54.539 54.000 0.021 0.000 0.914 473 D CB 1.672 42.460 40.800 -0.020 0.000 1.461 473 D HN 0.819 nan 8.370 nan 0.000 0.462 474 G N 1.686 110.519 108.800 0.055 0.000 2.692 474 G HA2 -0.392 3.568 3.960 0.000 0.000 0.339 474 G HA3 -0.392 3.568 3.960 0.000 0.000 0.339 474 G C 0.384 175.337 174.900 0.088 0.000 1.226 474 G CA 0.796 45.931 45.100 0.059 0.000 0.979 474 G HN 0.659 nan 8.290 nan 0.000 0.549 475 N N -0.179 118.581 118.700 0.100 0.000 2.279 475 N HA 0.289 5.029 4.740 0.000 0.000 0.226 475 N C -0.151 175.456 175.510 0.162 0.000 1.126 475 N CA -0.329 52.783 53.050 0.105 0.000 0.846 475 N CB 0.393 38.924 38.487 0.073 0.000 1.050 475 N HN 0.426 nan 8.380 nan 0.000 0.502 476 Y N 1.756 122.083 120.300 0.045 0.000 2.526 476 Y HA 0.330 4.880 4.550 0.000 0.000 0.330 476 Y C 0.670 176.629 175.900 0.099 0.000 1.156 476 Y CA 0.256 58.395 58.100 0.066 0.000 1.419 476 Y CB 0.287 38.774 38.460 0.045 0.000 1.250 476 Y HN 0.056 nan 8.280 nan 0.000 0.540 477 G N 4.050 112.706 108.800 -0.239 0.000 2.608 477 G HA2 0.266 4.226 3.960 0.000 0.000 0.291 477 G HA3 0.266 4.226 3.960 0.000 0.000 0.291 477 G C -2.480 172.379 174.900 -0.067 0.000 1.425 477 G CA -0.969 44.058 45.100 -0.123 0.000 0.787 477 G HN 0.502 nan 8.290 nan 0.000 0.484 478 Y N 1.538 121.782 120.300 -0.092 0.000 2.327 478 Y HA 0.523 5.073 4.550 0.000 0.000 0.336 478 Y C 0.233 176.036 175.900 -0.160 0.000 1.035 478 Y CA -1.264 56.735 58.100 -0.168 0.000 1.165 478 Y CB 1.351 39.731 38.460 -0.133 0.000 1.181 478 Y HN 0.415 nan 8.280 nan 0.000 0.494 479 N N 4.895 123.172 118.700 -0.704 0.000 2.521 479 N HA 0.181 4.921 4.740 0.000 0.000 0.236 479 N C 0.494 175.480 175.510 -0.875 0.000 1.067 479 N CA 0.510 53.218 53.050 -0.570 0.000 0.939 479 N CB 1.090 39.350 38.487 -0.379 0.000 1.201 479 N HN 0.901 nan 8.380 nan 0.000 0.511 480 A N 3.664 126.152 122.820 -0.553 0.000 1.978 480 A HA -0.125 4.195 4.320 0.000 0.000 0.220 480 A C 2.026 179.461 177.584 -0.248 0.000 1.170 480 A CA 1.923 53.767 52.037 -0.320 0.000 0.636 480 A CB -0.511 18.480 19.000 -0.016 0.000 0.810 480 A HN 0.683 nan 8.150 nan 0.000 0.448 481 A N -0.766 121.924 122.820 -0.215 0.000 1.929 481 A HA 0.017 4.337 4.320 0.000 0.000 0.216 481 A C 2.174 179.665 177.584 -0.155 0.000 1.176 481 A CA 2.107 54.060 52.037 -0.140 0.000 0.628 481 A CB -0.776 18.162 19.000 -0.103 0.000 0.816 481 A HN 0.829 nan 8.150 nan 0.000 0.444 482 T N -2.631 111.790 114.554 -0.222 0.000 3.092 482 T HA 0.232 4.582 4.350 0.000 0.000 0.258 482 T C 0.128 174.689 174.700 -0.231 0.000 1.031 482 T CA 0.535 62.525 62.100 -0.185 0.000 0.925 482 T CB -0.444 68.330 68.868 -0.156 0.000 1.036 482 T HN 0.601 nan 8.240 nan 0.000 0.544 483 E N 1.691 121.684 120.200 -0.345 0.000 2.365 483 E HA -0.236 4.114 4.350 0.000 0.000 0.237 483 E C -0.374 176.005 176.600 -0.368 0.000 1.238 483 E CA 0.964 57.151 56.400 -0.356 0.000 0.718 483 E CB -2.076 27.581 29.700 -0.072 0.000 1.218 483 E HN 0.948 nan 8.360 nan 0.000 0.387 484 E N -0.442 119.450 120.200 -0.513 0.000 2.367 484 E HA 0.522 4.872 4.350 0.000 0.000 0.273 484 E C -0.706 175.639 176.600 -0.425 0.000 0.903 484 E CA -1.013 55.168 56.400 -0.364 0.000 0.764 484 E CB 0.939 30.565 29.700 -0.124 0.000 1.252 484 E HN 0.075 nan 8.360 nan 0.000 0.446 485 Y N 0.174 120.459 120.300 -0.025 0.000 2.300 485 Y HA 0.608 5.158 4.550 0.000 0.000 0.328 485 Y C 1.130 176.984 175.900 -0.078 0.000 1.270 485 Y CA 0.740 58.769 58.100 -0.119 0.000 1.352 485 Y CB 1.615 39.988 38.460 -0.145 0.000 1.286 485 Y HN 0.841 nan 8.280 nan 0.000 0.536 486 G N 0.501 109.318 108.800 0.028 0.000 2.325 486 G HA2 0.006 3.966 3.960 0.000 0.000 0.295 486 G HA3 0.006 3.966 3.960 0.000 0.000 0.295 486 G C -1.961 173.009 174.900 0.117 0.000 1.274 486 G CA -1.175 44.001 45.100 0.126 0.000 0.857 486 G HN 0.538 nan 8.290 nan 0.000 0.499 487 N N 1.024 119.795 118.700 0.119 0.000 2.408 487 N HA 0.135 4.875 4.740 0.000 0.000 0.257 487 N C 1.645 177.184 175.510 0.048 0.000 1.064 487 N CA -0.514 52.597 53.050 0.102 0.000 0.952 487 N CB 0.888 39.430 38.487 0.090 0.000 1.093 487 N HN 0.375 nan 8.380 nan 0.000 0.490 488 M N 3.425 123.048 119.600 0.038 0.000 2.159 488 M HA -0.141 4.339 4.480 0.000 0.000 0.263 488 M C 1.543 177.851 176.300 0.013 0.000 1.063 488 M CA 1.004 56.312 55.300 0.013 0.000 1.110 488 M CB -0.525 32.084 32.600 0.015 0.000 1.374 488 M HN 0.540 nan 8.290 nan 0.000 0.411 489 I N 0.423 121.007 120.570 0.024 0.000 2.252 489 I HA -0.227 3.943 4.170 0.000 0.000 0.245 489 I C 1.861 177.987 176.117 0.015 0.000 1.102 489 I CA 1.276 62.587 61.300 0.019 0.000 1.385 489 I CB -1.499 36.515 38.000 0.023 0.000 1.064 489 I HN 0.224 nan 8.210 nan 0.000 0.414 490 D N 0.774 121.186 120.400 0.019 0.000 2.144 490 D HA -0.134 4.506 4.640 0.000 0.000 0.199 490 D C 2.247 178.551 176.300 0.006 0.000 0.984 490 D CA 1.129 55.138 54.000 0.015 0.000 0.834 490 D CB -0.118 40.696 40.800 0.023 0.000 0.955 490 D HN 0.321 nan 8.370 nan 0.000 0.465 491 M N -0.664 118.936 119.600 0.000 0.000 2.659 491 M HA 0.114 4.594 4.480 0.000 0.000 0.243 491 M C 1.097 177.387 176.300 -0.016 0.000 1.111 491 M CA 0.699 55.990 55.300 -0.014 0.000 1.070 491 M CB 0.245 32.827 32.600 -0.030 0.000 1.525 491 M HN 0.062 nan 8.290 nan 0.000 0.517 492 G N 2.218 111.014 108.800 -0.008 0.000 2.176 492 G HA2 -0.241 3.719 3.960 0.000 0.000 0.252 492 G HA3 -0.241 3.719 3.960 0.000 0.000 0.252 492 G C 0.060 174.954 174.900 -0.009 0.000 1.024 492 G CA -0.222 44.874 45.100 -0.006 0.000 0.755 492 G HN 0.558 nan 8.290 nan 0.000 0.507 493 I N 1.325 121.888 120.570 -0.011 0.000 2.243 493 I HA 0.338 4.508 4.170 0.000 0.000 0.289 493 I C 0.507 176.623 176.117 -0.000 0.000 1.140 493 I CA -0.281 61.012 61.300 -0.012 0.000 1.289 493 I CB 0.137 38.123 38.000 -0.024 0.000 1.498 493 I HN 0.007 nan 8.210 nan 0.000 0.561 494 L N 3.990 125.215 121.223 0.004 0.000 2.296 494 L HA 0.528 4.868 4.340 0.000 0.000 0.286 494 L C -0.575 176.302 176.870 0.012 0.000 1.023 494 L CA -0.797 54.049 54.840 0.010 0.000 0.812 494 L CB 1.398 43.463 42.059 0.010 0.000 1.223 494 L HN 0.300 nan 8.230 nan 0.000 0.421 495 D N 3.738 124.147 120.400 0.015 0.000 2.175 495 D HA 0.366 5.006 4.640 0.000 0.000 0.248 495 D C -2.445 173.867 176.300 0.020 0.000 1.047 495 D CA -1.515 52.496 54.000 0.018 0.000 0.883 495 D CB 1.750 42.561 40.800 0.019 0.000 1.180 495 D HN 0.207 nan 8.370 nan 0.000 0.438 496 P HA 0.139 nan 4.420 nan 0.000 0.281 496 P C 0.683 177.997 177.300 0.023 0.000 1.252 496 P CA -0.253 62.861 63.100 0.025 0.000 0.778 496 P CB 0.813 32.533 31.700 0.033 0.000 0.895 497 T N 2.531 117.096 114.554 0.019 0.000 2.652 497 T HA -0.222 4.128 4.350 0.000 0.000 0.267 497 T C 1.622 176.330 174.700 0.013 0.000 1.039 497 T CA 1.477 63.585 62.100 0.014 0.000 1.153 497 T CB -0.501 68.374 68.868 0.011 0.000 0.863 497 T HN 0.503 nan 8.240 nan 0.000 0.428 498 K N 0.792 121.203 120.400 0.017 0.000 2.189 498 K HA -0.184 4.136 4.320 0.000 0.000 0.207 498 K C 2.272 178.889 176.600 0.028 0.000 1.046 498 K CA 1.700 57.999 56.287 0.021 0.000 0.928 498 K CB -0.347 32.173 32.500 0.033 0.000 0.720 498 K HN 0.370 nan 8.250 nan 0.000 0.458 499 V N -0.968 118.966 119.914 0.033 0.000 2.446 499 V HA -0.110 4.010 4.120 0.000 0.000 0.244 499 V C 1.722 177.834 176.094 0.031 0.000 1.039 499 V CA 2.055 64.379 62.300 0.041 0.000 1.045 499 V CB -0.431 31.419 31.823 0.043 0.000 0.681 499 V HN 0.312 nan 8.190 nan 0.000 0.459 500 T N 0.863 115.429 114.554 0.021 0.000 2.720 500 T HA -0.174 4.176 4.350 0.000 0.000 0.268 500 T C 2.065 176.765 174.700 0.000 0.000 1.037 500 T CA 2.073 64.182 62.100 0.014 0.000 1.144 500 T CB -0.435 68.441 68.868 0.013 0.000 0.864 500 T HN 0.498 nan 8.240 nan 0.000 0.444 501 R N 0.938 121.432 120.500 -0.011 0.000 2.075 501 R HA -0.009 4.331 4.340 0.000 0.000 0.232 501 R C 2.494 178.744 176.300 -0.083 0.000 1.126 501 R CA 1.530 57.606 56.100 -0.040 0.000 0.963 501 R CB -0.627 29.649 30.300 -0.039 0.000 0.858 501 R HN 0.284 nan 8.270 nan 0.000 0.435 502 S N 0.813 116.473 115.700 -0.067 0.000 2.355 502 S HA -0.074 4.396 4.470 0.000 0.000 0.222 502 S C 2.057 176.635 174.600 -0.037 0.000 1.031 502 S CA 1.127 59.247 58.200 -0.133 0.000 0.993 502 S CB -0.272 62.974 63.200 0.076 0.000 0.859 502 S HN 0.548 nan 8.310 nan 0.000 0.453 503 A N 1.791 124.642 122.820 0.052 0.000 1.903 503 A HA -0.138 4.182 4.320 0.000 0.000 0.219 503 A C 2.117 179.723 177.584 0.036 0.000 1.191 503 A CA 1.466 53.548 52.037 0.075 0.000 0.638 503 A CB -0.910 18.121 19.000 0.052 0.000 0.823 503 A HN 0.466 nan 8.150 nan 0.000 0.451 504 L N -0.888 120.330 121.223 -0.009 0.000 2.017 504 L HA -0.246 4.094 4.340 0.000 0.000 0.208 504 L C 2.821 179.661 176.870 -0.050 0.000 1.073 504 L CA 2.195 57.023 54.840 -0.021 0.000 0.745 504 L CB -0.702 41.340 42.059 -0.027 0.000 0.894 504 L HN 0.562 nan 8.230 nan 0.000 0.432 505 Q N -1.072 118.645 119.800 -0.138 0.000 2.002 505 Q HA -0.261 4.079 4.340 0.000 0.000 0.204 505 Q C 2.065 177.970 176.000 -0.158 0.000 0.988 505 Q CA 2.223 57.894 55.803 -0.219 0.000 0.843 505 Q CB -0.282 28.212 28.738 -0.407 0.000 0.908 505 Q HN 0.474 nan 8.270 nan 0.000 0.420 506 Y N -0.108 120.196 120.300 0.006 0.000 2.200 506 Y HA -0.138 4.412 4.550 0.000 0.000 0.290 506 Y C 2.333 178.236 175.900 0.005 0.000 1.137 506 Y CA 0.791 58.894 58.100 0.005 0.000 1.163 506 Y CB -0.906 37.556 38.460 0.003 0.000 0.988 506 Y HN 0.147 nan 8.280 nan 0.000 0.518 507 A N 0.237 123.147 122.820 0.150 0.000 1.865 507 A HA -0.166 4.154 4.320 0.000 0.000 0.217 507 A C 2.498 180.118 177.584 0.061 0.000 1.191 507 A CA 2.241 54.331 52.037 0.088 0.000 0.623 507 A CB -1.295 17.741 19.000 0.060 0.000 0.826 507 A HN 0.390 nan 8.150 nan 0.000 0.444 508 A N -1.095 121.748 122.820 0.039 0.000 1.930 508 A HA -0.066 4.254 4.320 0.000 0.000 0.217 508 A C 2.455 180.059 177.584 0.033 0.000 1.175 508 A CA 2.072 54.124 52.037 0.025 0.000 0.627 508 A CB -0.934 18.070 19.000 0.006 0.000 0.815 508 A HN 0.559 nan 8.150 nan 0.000 0.443 509 S N -0.714 115.014 115.700 0.047 0.000 2.370 509 S HA -0.160 4.310 4.470 0.000 0.000 0.226 509 S C 2.030 176.665 174.600 0.057 0.000 1.033 509 S CA 2.102 60.337 58.200 0.057 0.000 1.011 509 S CB -0.550 62.707 63.200 0.096 0.000 0.852 509 S HN 0.962 nan 8.310 nan 0.000 0.457 510 V N 0.758 120.711 119.914 0.065 0.000 2.500 510 V HA 0.277 4.397 4.120 0.000 0.000 0.243 510 V C 2.398 178.514 176.094 0.036 0.000 1.039 510 V CA 1.510 63.838 62.300 0.047 0.000 1.053 510 V CB -1.184 30.665 31.823 0.043 0.000 0.695 510 V HN 0.476 nan 8.190 nan 0.000 0.463 511 A N 1.197 124.039 122.820 0.036 0.000 1.892 511 A HA -0.094 4.226 4.320 0.000 0.000 0.218 511 A C 2.460 180.059 177.584 0.025 0.000 1.188 511 A CA 2.510 54.564 52.037 0.028 0.000 0.631 511 A CB -1.796 17.220 19.000 0.027 0.000 0.822 511 A HN 0.865 nan 8.150 nan 0.000 0.447 512 G N -0.310 108.504 108.800 0.025 0.000 2.529 512 G HA2 -0.283 3.677 3.960 0.000 0.000 0.219 512 G HA3 -0.283 3.677 3.960 0.000 0.000 0.219 512 G C 1.601 176.514 174.900 0.021 0.000 1.177 512 G CA 1.249 46.362 45.100 0.021 0.000 0.773 512 G HN 0.450 nan 8.290 nan 0.000 0.573 513 L N -0.293 120.944 121.223 0.024 0.000 2.017 513 L HA -0.045 4.295 4.340 0.000 0.000 0.208 513 L C 3.182 180.066 176.870 0.023 0.000 1.073 513 L CA 1.082 55.936 54.840 0.023 0.000 0.745 513 L CB -0.259 41.814 42.059 0.024 0.000 0.894 513 L HN 0.252 nan 8.230 nan 0.000 0.432 514 M N -0.179 119.435 119.600 0.023 0.000 2.144 514 M HA -0.240 4.240 4.480 0.000 0.000 0.260 514 M C 2.178 178.491 176.300 0.022 0.000 1.067 514 M CA 1.856 57.169 55.300 0.023 0.000 1.095 514 M CB -0.496 32.118 32.600 0.023 0.000 1.365 514 M HN 0.370 nan 8.290 nan 0.000 0.406 515 I N -1.944 118.638 120.570 0.020 0.000 3.444 515 I HA -0.048 4.122 4.170 0.000 0.000 0.287 515 I C 1.495 177.623 176.117 0.020 0.000 1.302 515 I CA 1.153 62.464 61.300 0.019 0.000 1.368 515 I CB -0.592 37.418 38.000 0.016 0.000 1.048 515 I HN 0.175 nan 8.210 nan 0.000 0.487 516 T N -2.436 112.130 114.554 0.021 0.000 3.176 516 T HA 0.218 4.568 4.350 0.000 0.000 0.263 516 T C 0.595 175.312 174.700 0.027 0.000 1.021 516 T CA -0.306 61.808 62.100 0.023 0.000 0.905 516 T CB -0.733 68.148 68.868 0.022 0.000 1.057 516 T HN 0.214 nan 8.240 nan 0.000 0.558 517 T N 2.581 117.151 114.554 0.027 0.000 2.870 517 T HA 0.267 4.617 4.350 0.000 0.000 0.300 517 T C 0.747 175.470 174.700 0.037 0.000 0.989 517 T CA -0.083 62.034 62.100 0.030 0.000 1.139 517 T CB 1.445 70.329 68.868 0.026 0.000 0.920 517 T HN 0.388 nan 8.240 nan 0.000 0.537 518 E N 0.772 121.003 120.200 0.051 0.000 2.500 518 E HA 0.202 4.552 4.350 0.000 0.000 0.217 518 E C -0.035 176.633 176.600 0.112 0.000 0.848 518 E CA -0.116 56.334 56.400 0.084 0.000 1.217 518 E CB 0.602 30.361 29.700 0.098 0.000 1.217 518 E HN 0.635 nan 8.360 nan 0.000 0.573 519 C N 0.321 119.648 119.300 0.043 0.000 2.994 519 C HA 0.798 5.258 4.460 0.000 0.000 0.305 519 C C -1.559 173.373 174.990 -0.096 0.000 1.251 519 C CA -0.643 58.315 59.018 -0.100 0.000 1.478 519 C CB 0.719 28.395 27.740 -0.106 0.000 1.922 519 C HN 0.336 nan 8.230 nan 0.000 0.472 520 M N 4.381 123.898 119.600 -0.137 0.000 2.324 520 M HA 0.536 5.016 4.480 0.000 0.000 0.288 520 M C -1.316 175.030 176.300 0.077 0.000 1.097 520 M CA -0.442 54.878 55.300 0.033 0.000 0.928 520 M CB 2.178 34.891 32.600 0.188 0.000 1.648 520 M HN 0.430 nan 8.290 nan 0.000 0.460 521 V N 1.573 121.502 119.914 0.025 0.000 2.487 521 V HA 0.837 4.957 4.120 0.000 0.000 0.298 521 V C -0.267 175.777 176.094 -0.084 0.000 1.028 521 V CA -0.328 61.962 62.300 -0.016 0.000 0.860 521 V CB 1.989 33.788 31.823 -0.039 0.000 0.991 521 V HN 0.957 nan 8.190 nan 0.000 0.427 522 T N 2.126 116.583 114.554 -0.162 0.000 2.686 522 T HA 0.387 4.737 4.350 0.000 0.000 0.302 522 T C -1.551 173.025 174.700 -0.207 0.000 1.355 522 T CA -0.505 61.440 62.100 -0.259 0.000 1.003 522 T CB 1.934 70.491 68.868 -0.519 0.000 1.530 522 T HN 0.606 nan 8.240 nan 0.000 0.496 523 D N 1.081 121.366 120.400 -0.192 0.000 2.344 523 D HA 0.425 5.065 4.640 0.000 0.000 0.244 523 D C 0.092 176.318 176.300 -0.122 0.000 1.134 523 D CA -0.086 53.839 54.000 -0.124 0.000 0.930 523 D CB 0.456 41.197 40.800 -0.098 0.000 1.175 523 D HN 0.398 nan 8.370 nan 0.000 0.437 524 L N 2.527 123.712 121.223 -0.064 0.000 2.439 524 L HA 0.230 4.570 4.340 0.000 0.000 0.269 524 L C -1.423 175.425 176.870 -0.038 0.000 1.179 524 L CA -1.422 53.397 54.840 -0.034 0.000 0.828 524 L CB 0.277 42.329 42.059 -0.011 0.000 1.106 524 L HN 0.344 nan 8.230 nan 0.000 0.467 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.090 63.100 -0.016 0.000 0.800 525 P CB 0.000 31.703 31.700 0.005 0.000 0.726