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 1svt_1_N 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 0.000 177.578 177.584 -0.011 0.000 1.274 2 A CA 0.000 52.030 52.037 -0.011 0.000 0.836 2 A CB 0.000 18.989 19.000 -0.018 0.000 0.831 3 A N 2.862 125.678 122.820 -0.007 0.000 2.540 3 A HA 0.507 4.827 4.320 -0.000 0.000 0.239 3 A C 0.403 177.980 177.584 -0.012 0.000 1.061 3 A CA 0.445 52.479 52.037 -0.004 0.000 0.758 3 A CB -0.028 18.973 19.000 0.001 0.000 0.991 3 A HN 0.639 nan 8.150 nan 0.000 0.502 4 K N 1.270 121.664 120.400 -0.010 0.000 2.211 4 K HA 0.489 4.809 4.320 -0.000 0.000 0.237 4 K C -1.009 175.587 176.600 -0.007 0.000 1.002 4 K CA -0.699 55.574 56.287 -0.023 0.000 0.885 4 K CB 1.211 33.695 32.500 -0.025 0.000 1.136 4 K HN 0.730 nan 8.250 nan 0.000 0.448 5 D N 0.636 121.030 120.400 -0.010 0.000 2.391 5 D HA 0.338 4.978 4.640 -0.000 0.000 0.245 5 D C -1.359 175.004 176.300 0.105 0.000 1.069 5 D CA -0.611 53.423 54.000 0.057 0.000 0.831 5 D CB 1.356 42.200 40.800 0.073 0.000 1.204 5 D HN 0.046 nan 8.370 nan 0.000 0.503 6 V N 4.179 124.126 119.914 0.054 0.000 2.495 6 V HA 0.465 4.585 4.120 -0.000 0.000 0.298 6 V C 0.163 176.120 176.094 -0.228 0.000 1.031 6 V CA -0.715 61.530 62.300 -0.091 0.000 0.871 6 V CB 1.756 33.458 31.823 -0.201 0.000 0.988 6 V HN 0.434 nan 8.190 nan 0.000 0.432 7 K N 3.132 123.340 120.400 -0.319 0.000 2.328 7 K HA 0.746 5.066 4.320 -0.000 0.000 0.246 7 K C -1.679 174.599 176.600 -0.537 0.000 0.955 7 K CA -0.495 55.527 56.287 -0.442 0.000 0.817 7 K CB 2.029 34.147 32.500 -0.636 0.000 1.208 7 K HN 0.499 nan 8.250 nan 0.000 0.432 8 F N 0.908 120.812 119.950 -0.077 0.000 2.540 8 F HA 0.392 4.918 4.527 -0.000 0.000 0.317 8 F C 1.066 176.835 175.800 -0.052 0.000 1.104 8 F CA 0.168 58.141 58.000 -0.044 0.000 0.913 8 F CB 2.112 41.097 39.000 -0.025 0.000 1.170 8 F HN 0.836 nan 8.300 nan 0.000 0.450 9 G N 2.876 111.794 108.800 0.195 0.000 2.602 9 G HA2 -0.484 3.475 3.960 -0.000 0.000 0.310 9 G HA3 -0.484 3.475 3.960 -0.000 0.000 0.310 9 G C 1.026 175.950 174.900 0.041 0.000 1.183 9 G CA 1.077 46.239 45.100 0.102 0.000 0.979 9 G HN 0.690 nan 8.290 nan 0.000 0.545 10 N N 1.202 119.919 118.700 0.027 0.000 2.025 10 N HA -0.074 4.666 4.740 -0.000 0.000 0.194 10 N C 1.879 177.373 175.510 -0.026 0.000 1.044 10 N CA 2.407 55.457 53.050 0.001 0.000 0.851 10 N CB -0.380 38.107 38.487 -0.001 0.000 1.036 10 N HN 0.565 nan 8.380 nan 0.000 0.422 11 D N 0.227 120.604 120.400 -0.039 0.000 2.116 11 D HA -0.179 4.461 4.640 -0.000 0.000 0.193 11 D C 1.806 178.012 176.300 -0.158 0.000 0.998 11 D CA 1.502 55.443 54.000 -0.098 0.000 0.836 11 D CB -0.897 39.831 40.800 -0.119 0.000 0.951 11 D HN 0.414 nan 8.370 nan 0.000 0.449 12 A N 0.703 123.429 122.820 -0.157 0.000 1.997 12 A HA -0.251 4.068 4.320 -0.000 0.000 0.221 12 A C 2.195 179.725 177.584 -0.090 0.000 1.172 12 A CA 1.698 53.630 52.037 -0.176 0.000 0.645 12 A CB -0.414 18.527 19.000 -0.097 0.000 0.813 12 A HN 0.161 nan 8.150 nan 0.000 0.454 13 R N -1.517 118.953 120.500 -0.049 0.000 2.075 13 R HA 0.072 4.412 4.340 -0.000 0.000 0.220 13 R C 2.076 178.363 176.300 -0.023 0.000 1.118 13 R CA 0.946 57.034 56.100 -0.019 0.000 0.986 13 R CB -0.514 29.783 30.300 -0.004 0.000 0.884 13 R HN 0.333 nan 8.270 nan 0.000 0.439 14 V N 1.982 121.876 119.914 -0.034 0.000 2.317 14 V HA -0.318 3.801 4.120 -0.000 0.000 0.251 14 V C 2.122 178.198 176.094 -0.031 0.000 1.065 14 V CA 1.772 64.053 62.300 -0.030 0.000 1.049 14 V CB -0.340 31.462 31.823 -0.036 0.000 0.651 14 V HN 0.191 nan 8.190 nan 0.000 0.450 15 K N -0.774 119.590 120.400 -0.059 0.000 2.002 15 K HA -0.088 4.232 4.320 -0.000 0.000 0.209 15 K C 2.069 178.681 176.600 0.020 0.000 1.048 15 K CA 1.623 57.892 56.287 -0.030 0.000 0.930 15 K CB -0.742 31.705 32.500 -0.089 0.000 0.714 15 K HN 0.376 nan 8.250 nan 0.000 0.438 16 M N 0.076 119.688 119.600 0.020 0.000 2.144 16 M HA -0.211 4.269 4.480 -0.000 0.000 0.260 16 M C 1.948 178.262 176.300 0.025 0.000 1.067 16 M CA 1.254 56.575 55.300 0.036 0.000 1.095 16 M CB -0.171 32.449 32.600 0.032 0.000 1.365 16 M HN 0.094 nan 8.290 nan 0.000 0.406 17 L N 0.231 121.461 121.223 0.013 0.000 2.044 17 L HA -0.128 4.212 4.340 -0.000 0.000 0.205 17 L C 2.343 179.221 176.870 0.012 0.000 1.075 17 L CA 1.729 56.575 54.840 0.011 0.000 0.747 17 L CB -0.539 41.523 42.059 0.006 0.000 0.903 17 L HN 0.153 nan 8.230 nan 0.000 0.435 18 R N -0.118 120.389 120.500 0.012 0.000 2.091 18 R HA -0.110 4.229 4.340 -0.000 0.000 0.238 18 R C 2.206 178.517 176.300 0.018 0.000 1.136 18 R CA 1.267 57.375 56.100 0.014 0.000 0.959 18 R CB -1.382 28.927 30.300 0.014 0.000 0.856 18 R HN 0.573 nan 8.270 nan 0.000 0.437 19 G N 1.261 110.077 108.800 0.026 0.000 2.459 19 G HA2 -0.290 3.669 3.960 -0.000 0.000 0.217 19 G HA3 -0.290 3.669 3.960 -0.000 0.000 0.217 19 G C 1.480 176.392 174.900 0.019 0.000 1.183 19 G CA 1.013 46.129 45.100 0.028 0.000 0.776 19 G HN 0.293 nan 8.290 nan 0.000 0.552 20 V N 0.947 120.872 119.914 0.019 0.000 2.358 20 V HA -0.164 3.956 4.120 -0.000 0.000 0.246 20 V C 2.252 178.353 176.094 0.011 0.000 1.047 20 V CA 2.684 64.992 62.300 0.014 0.000 1.035 20 V CB -0.798 31.034 31.823 0.015 0.000 0.658 20 V HN 0.508 nan 8.190 nan 0.000 0.452 21 N N -0.349 118.358 118.700 0.011 0.000 2.094 21 N HA -0.197 4.543 4.740 -0.000 0.000 0.191 21 N C 1.781 177.296 175.510 0.008 0.000 1.023 21 N CA 1.826 54.881 53.050 0.009 0.000 0.857 21 N CB -0.267 38.224 38.487 0.008 0.000 1.013 21 N HN 0.452 nan 8.380 nan 0.000 0.426 22 V N 1.744 121.663 119.914 0.009 0.000 2.223 22 V HA -0.222 3.898 4.120 -0.000 0.000 0.244 22 V C 2.260 178.357 176.094 0.005 0.000 1.045 22 V CA 1.361 63.665 62.300 0.007 0.000 1.000 22 V CB -0.678 31.150 31.823 0.009 0.000 0.635 22 V HN 0.404 nan 8.190 nan 0.000 0.445 23 L N 0.241 121.467 121.223 0.005 0.000 1.978 23 L HA -0.282 4.058 4.340 -0.000 0.000 0.218 23 L C 2.520 179.391 176.870 0.002 0.000 1.075 23 L CA 2.834 57.675 54.840 0.002 0.000 0.767 23 L CB -0.890 41.170 42.059 0.002 0.000 0.890 23 L HN 0.411 nan 8.230 nan 0.000 0.434 24 A N -0.775 122.048 122.820 0.004 0.000 1.972 24 A HA -0.227 4.092 4.320 -0.000 0.000 0.219 24 A C 1.773 179.359 177.584 0.003 0.000 1.169 24 A CA 1.804 53.843 52.037 0.004 0.000 0.635 24 A CB -0.534 18.469 19.000 0.006 0.000 0.810 24 A HN 0.542 nan 8.150 nan 0.000 0.446 25 D N -0.200 120.203 120.400 0.004 0.000 2.224 25 D HA 0.071 4.711 4.640 -0.000 0.000 0.205 25 D C 2.112 178.413 176.300 0.002 0.000 0.965 25 D CA 1.222 55.224 54.000 0.003 0.000 0.852 25 D CB -0.186 40.617 40.800 0.004 0.000 0.947 25 D HN 0.434 nan 8.370 nan 0.000 0.494 26 A N 0.279 123.100 122.820 0.002 0.000 1.874 26 A HA -0.052 4.268 4.320 -0.000 0.000 0.214 26 A C 2.297 179.881 177.584 -0.001 0.000 1.189 26 A CA 0.754 52.792 52.037 0.001 0.000 0.615 26 A CB -0.717 18.283 19.000 0.000 0.000 0.830 26 A HN 0.158 nan 8.150 nan 0.000 0.443 27 V N 1.306 121.219 119.914 -0.001 0.000 2.667 27 V HA -0.175 3.945 4.120 -0.000 0.000 0.252 27 V C 2.396 178.489 176.094 -0.001 0.000 1.065 27 V CA 2.348 64.646 62.300 -0.003 0.000 1.083 27 V CB -0.567 31.253 31.823 -0.005 0.000 0.692 27 V HN 0.796 nan 8.190 nan 0.000 0.468 28 K N 0.379 120.779 120.400 0.001 0.000 2.432 28 K HA -0.004 4.316 4.320 -0.000 0.000 0.196 28 K C 1.438 178.040 176.600 0.002 0.000 1.038 28 K CA 1.493 57.781 56.287 0.002 0.000 0.986 28 K CB -0.282 32.220 32.500 0.004 0.000 0.782 28 K HN 0.499 nan 8.250 nan 0.000 0.485 29 V N -0.301 119.614 119.914 0.001 0.000 3.573 29 V HA 0.002 4.122 4.120 -0.000 0.000 0.270 29 V C 1.572 177.667 176.094 0.001 0.000 1.221 29 V CA 1.039 63.340 62.300 0.002 0.000 1.163 29 V CB -0.824 31.000 31.823 0.002 0.000 0.847 29 V HN 0.475 nan 8.190 nan 0.000 0.468 30 T N -3.508 111.045 114.554 -0.000 0.000 3.054 30 T HA 0.221 4.571 4.350 -0.000 0.000 0.255 30 T C 1.381 176.080 174.700 -0.003 0.000 1.035 30 T CA 0.375 62.474 62.100 -0.002 0.000 0.941 30 T CB 0.527 69.393 68.868 -0.004 0.000 1.026 30 T HN 0.298 nan 8.240 nan 0.000 0.533 31 L N 2.863 124.085 121.223 -0.000 0.000 2.005 31 L HA 0.352 4.691 4.340 -0.000 0.000 0.207 31 L C 1.716 178.585 176.870 -0.002 0.000 1.072 31 L CA 1.497 56.336 54.840 -0.000 0.000 0.744 31 L CB -1.413 40.648 42.059 0.004 0.000 0.895 31 L HN 0.412 nan 8.230 nan 0.000 0.433 32 G N -0.437 108.363 108.800 0.001 0.000 2.641 32 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.310 32 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.310 32 G C -1.515 173.377 174.900 -0.013 0.000 1.291 32 G CA 0.324 45.422 45.100 -0.003 0.000 1.133 32 G HN 0.437 nan 8.290 nan 0.000 0.660 33 P HA 0.123 nan 4.420 nan 0.000 0.240 33 P C 0.388 177.674 177.300 -0.022 0.000 1.190 33 P CA 0.861 63.945 63.100 -0.027 0.000 0.781 33 P CB 0.522 32.197 31.700 -0.042 0.000 0.931 34 K N 0.919 121.310 120.400 -0.016 0.000 2.961 34 K HA 0.338 4.658 4.320 -0.000 0.000 0.187 34 K C 0.692 177.289 176.600 -0.004 0.000 1.110 34 K CA -0.349 55.931 56.287 -0.011 0.000 0.968 34 K CB 0.969 33.463 32.500 -0.011 0.000 1.287 34 K HN 0.004 nan 8.250 nan 0.000 0.578 35 G N 1.140 109.937 108.800 -0.005 0.000 2.664 35 G HA2 0.083 4.043 3.960 -0.000 0.000 0.242 35 G HA3 0.083 4.043 3.960 -0.000 0.000 0.242 35 G C 0.186 175.085 174.900 -0.002 0.000 1.225 35 G CA -0.452 44.647 45.100 -0.003 0.000 0.849 35 G HN 0.239 nan 8.290 nan 0.000 0.581 36 R N 0.035 120.534 120.500 -0.000 0.000 2.607 36 R HA 0.323 4.663 4.340 -0.000 0.000 0.261 36 R C -0.093 176.206 176.300 -0.001 0.000 1.051 36 R CA -0.941 55.158 56.100 -0.000 0.000 1.110 36 R CB 0.362 30.662 30.300 0.001 0.000 1.158 36 R HN 0.511 nan 8.270 nan 0.000 0.543 37 N N -0.005 118.695 118.700 -0.001 0.000 2.473 37 N HA 0.273 5.013 4.740 -0.000 0.000 0.291 37 N C -0.800 174.709 175.510 -0.001 0.000 1.083 37 N CA -0.356 52.694 53.050 -0.001 0.000 0.951 37 N CB 1.898 40.385 38.487 -0.001 0.000 1.164 37 N HN 0.087 nan 8.380 nan 0.000 0.480 38 V N 2.030 121.943 119.914 -0.001 0.000 2.495 38 V HA 0.346 4.466 4.120 -0.000 0.000 0.298 38 V C 0.039 176.133 176.094 -0.000 0.000 1.031 38 V CA -0.795 61.505 62.300 -0.001 0.000 0.871 38 V CB 2.052 33.874 31.823 -0.001 0.000 0.988 38 V HN 0.289 nan 8.190 nan 0.000 0.432 39 V N 6.088 126.002 119.914 0.000 0.000 2.427 39 V HA 0.476 4.596 4.120 -0.000 0.000 0.286 39 V C -0.585 175.510 176.094 0.001 0.000 1.034 39 V CA -0.559 61.742 62.300 0.001 0.000 0.893 39 V CB 1.556 33.379 31.823 0.001 0.000 0.982 39 V HN 0.526 nan 8.190 nan 0.000 0.452 40 L N 4.134 125.359 121.223 0.003 0.000 2.345 40 L HA 0.486 4.826 4.340 -0.000 0.000 0.274 40 L C -0.069 176.805 176.870 0.007 0.000 0.999 40 L CA -0.259 54.584 54.840 0.004 0.000 0.849 40 L CB 1.081 43.143 42.059 0.004 0.000 1.220 40 L HN 0.623 nan 8.230 nan 0.000 0.422 41 D N 3.375 123.779 120.400 0.006 0.000 2.406 41 D HA 0.188 4.828 4.640 -0.000 0.000 0.234 41 D C -0.092 176.217 176.300 0.016 0.000 1.196 41 D CA 0.636 54.641 54.000 0.008 0.000 0.881 41 D CB 0.753 41.555 40.800 0.003 0.000 1.205 41 D HN 0.428 nan 8.370 nan 0.000 0.453 42 K N 0.465 120.880 120.400 0.024 0.000 2.551 42 K HA 0.272 4.592 4.320 -0.000 0.000 0.269 42 K C 0.034 176.670 176.600 0.059 0.000 0.949 42 K CA -0.549 55.764 56.287 0.044 0.000 0.849 42 K CB 1.259 33.787 32.500 0.046 0.000 1.411 42 K HN 0.407 nan 8.250 nan 0.000 0.432 43 S N 1.336 117.100 115.700 0.107 0.000 2.359 43 S HA 0.102 4.571 4.470 -0.000 0.000 0.186 43 S C 0.472 175.125 174.600 0.089 0.000 1.163 43 S CA 0.303 58.554 58.200 0.085 0.000 1.479 43 S CB -0.646 62.645 63.200 0.153 0.000 0.880 43 S HN 0.464 nan 8.310 nan 0.000 0.395 44 F N 3.090 123.038 119.950 -0.004 0.000 2.608 44 F HA 0.436 4.963 4.527 -0.000 0.000 0.380 44 F C 1.575 177.373 175.800 -0.003 0.000 1.083 44 F CA 0.683 58.681 58.000 -0.004 0.000 1.266 44 F CB -1.252 37.746 39.000 -0.003 0.000 1.076 44 F HN 0.780 nan 8.300 nan 0.000 0.574 45 G N 0.947 109.831 108.800 0.139 0.000 2.725 45 G HA2 0.243 4.203 3.960 -0.000 0.000 0.220 45 G HA3 0.243 4.203 3.960 -0.000 0.000 0.220 45 G C -0.625 174.303 174.900 0.047 0.000 1.357 45 G CA -0.774 44.375 45.100 0.082 0.000 0.866 45 G HN 1.181 nan 8.290 nan 0.000 0.548 46 A N 1.149 123.990 122.820 0.035 0.000 2.351 46 A HA 0.804 5.124 4.320 -0.000 0.000 0.257 46 A C -0.700 176.896 177.584 0.021 0.000 1.087 46 A CA -0.082 51.968 52.037 0.021 0.000 0.798 46 A CB -0.030 18.980 19.000 0.017 0.000 1.033 46 A HN 0.949 nan 8.150 nan 0.000 0.488 47 P HA 0.205 nan 4.420 nan 0.000 0.272 47 P C -0.374 176.933 177.300 0.012 0.000 1.254 47 P CA 0.049 63.156 63.100 0.012 0.000 0.795 47 P CB 0.334 32.038 31.700 0.006 0.000 1.022 48 T N 0.902 115.462 114.554 0.010 0.000 2.792 48 T HA 0.500 4.850 4.350 -0.000 0.000 0.280 48 T C 0.085 174.788 174.700 0.005 0.000 0.990 48 T CA -0.399 61.706 62.100 0.008 0.000 0.960 48 T CB 0.201 69.074 68.868 0.008 0.000 0.939 48 T HN 0.164 nan 8.240 nan 0.000 0.439 49 I N 2.917 123.489 120.570 0.003 0.000 2.336 49 I HA 0.502 4.672 4.170 -0.000 0.000 0.292 49 I C 0.403 176.521 176.117 0.000 0.000 0.991 49 I CA -0.534 60.767 61.300 0.002 0.000 1.227 49 I CB 1.566 39.567 38.000 0.001 0.000 1.366 49 I HN 0.466 nan 8.210 nan 0.000 0.466 50 T N 4.566 119.120 114.554 -0.001 0.000 2.916 50 T HA 0.315 4.665 4.350 -0.000 0.000 0.305 50 T C -0.119 174.579 174.700 -0.003 0.000 1.119 50 T CA -0.533 61.566 62.100 -0.002 0.000 1.008 50 T CB 1.911 70.778 68.868 -0.002 0.000 1.129 50 T HN 0.677 nan 8.240 nan 0.000 0.480 51 K N 1.870 122.268 120.400 -0.004 0.000 2.514 51 K HA 0.282 4.602 4.320 -0.000 0.000 0.207 51 K C -0.771 175.826 176.600 -0.006 0.000 1.035 51 K CA -0.170 56.114 56.287 -0.005 0.000 1.113 51 K CB 0.365 32.862 32.500 -0.005 0.000 0.846 51 K HN 0.487 nan 8.250 nan 0.000 0.491 52 D N -1.197 119.199 120.400 -0.007 0.000 2.462 52 D HA 0.210 4.850 4.640 -0.000 0.000 0.245 52 D C 1.131 177.425 176.300 -0.010 0.000 1.122 52 D CA -0.540 53.455 54.000 -0.009 0.000 0.864 52 D CB 1.315 42.109 40.800 -0.009 0.000 1.098 52 D HN 0.089 nan 8.370 nan 0.000 0.541 53 G N 2.179 110.973 108.800 -0.011 0.000 2.529 53 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.219 53 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.219 53 G C 1.520 176.411 174.900 -0.015 0.000 1.177 53 G CA 1.133 46.226 45.100 -0.011 0.000 0.773 53 G HN 0.482 nan 8.290 nan 0.000 0.573 54 V N 0.646 120.549 119.914 -0.018 0.000 2.370 54 V HA -0.223 3.897 4.120 -0.000 0.000 0.252 54 V C 3.061 179.144 176.094 -0.018 0.000 1.068 54 V CA 2.339 64.626 62.300 -0.022 0.000 1.061 54 V CB -0.587 31.220 31.823 -0.026 0.000 0.656 54 V HN 0.390 nan 8.190 nan 0.000 0.455 55 S N -0.865 114.826 115.700 -0.014 0.000 2.387 55 S HA -0.099 4.371 4.470 -0.000 0.000 0.226 55 S C 1.961 176.556 174.600 -0.009 0.000 1.026 55 S CA 1.215 59.409 58.200 -0.011 0.000 0.972 55 S CB 0.044 63.239 63.200 -0.008 0.000 0.814 55 S HN 0.367 nan 8.310 nan 0.000 0.477 56 V N 2.060 121.969 119.914 -0.008 0.000 2.261 56 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 56 V C 2.663 178.753 176.094 -0.008 0.000 1.047 56 V CA 1.848 64.144 62.300 -0.007 0.000 1.015 56 V CB -1.212 30.608 31.823 -0.006 0.000 0.642 56 V HN 0.530 nan 8.190 nan 0.000 0.446 57 A N 0.256 123.069 122.820 -0.011 0.000 1.892 57 A HA -0.337 3.983 4.320 -0.000 0.000 0.218 57 A C 2.380 179.955 177.584 -0.014 0.000 1.188 57 A CA 2.512 54.541 52.037 -0.013 0.000 0.631 57 A CB -0.724 18.265 19.000 -0.018 0.000 0.822 57 A HN 0.543 nan 8.150 nan 0.000 0.447 58 R N -0.658 119.833 120.500 -0.016 0.000 2.139 58 R HA -0.209 4.131 4.340 -0.000 0.000 0.243 58 R C 1.681 177.974 176.300 -0.012 0.000 1.145 58 R CA 1.938 58.029 56.100 -0.016 0.000 0.976 58 R CB -0.213 30.077 30.300 -0.016 0.000 0.866 58 R HN 0.430 nan 8.270 nan 0.000 0.449 59 E N 0.038 120.233 120.200 -0.009 0.000 2.358 59 E HA 0.063 4.413 4.350 -0.000 0.000 0.195 59 E C -0.088 176.509 176.600 -0.005 0.000 1.010 59 E CA 0.228 56.624 56.400 -0.005 0.000 0.856 59 E CB 0.183 29.882 29.700 -0.002 0.000 0.795 59 E HN 0.245 nan 8.360 nan 0.000 0.504 60 I N 1.593 122.159 120.570 -0.006 0.000 2.496 60 I HA 0.202 4.372 4.170 -0.000 0.000 0.285 60 I C 0.171 176.285 176.117 -0.006 0.000 1.080 60 I CA 0.272 61.569 61.300 -0.005 0.000 1.404 60 I CB 0.605 38.603 38.000 -0.004 0.000 1.403 60 I HN 0.022 nan 8.210 nan 0.000 0.539 61 E N 6.910 127.108 120.200 -0.005 0.000 2.415 61 E HA 0.373 4.723 4.350 -0.000 0.000 0.302 61 E C -1.675 174.923 176.600 -0.004 0.000 0.907 61 E CA -0.456 55.941 56.400 -0.007 0.000 0.798 61 E CB 1.653 31.348 29.700 -0.009 0.000 1.315 61 E HN 0.457 nan 8.360 nan 0.000 0.396 62 L N 2.730 123.952 121.223 -0.002 0.000 2.431 62 L HA 0.395 4.735 4.340 -0.000 0.000 0.260 62 L C 1.664 178.533 176.870 -0.001 0.000 1.098 62 L CA -0.363 54.479 54.840 0.003 0.000 0.800 62 L CB 0.972 43.038 42.059 0.011 0.000 1.210 62 L HN 0.694 nan 8.230 nan 0.000 0.465 63 E N 0.238 120.440 120.200 0.004 0.000 2.060 63 E HA -0.151 4.199 4.350 -0.000 0.000 0.189 63 E C 0.302 176.903 176.600 0.001 0.000 0.974 63 E CA 0.316 56.717 56.400 0.000 0.000 0.808 63 E CB 0.277 29.980 29.700 0.004 0.000 0.768 63 E HN 0.636 nan 8.360 nan 0.000 0.453 64 D N 1.860 122.272 120.400 0.020 0.000 2.342 64 D HA -0.011 4.628 4.640 -0.000 0.000 0.260 64 D C -0.710 175.609 176.300 0.033 0.000 1.278 64 D CA 0.062 54.088 54.000 0.044 0.000 0.910 64 D CB 0.326 41.172 40.800 0.075 0.000 1.079 64 D HN 0.064 nan 8.370 nan 0.000 0.496 65 K N 2.839 123.214 120.400 -0.041 0.000 2.402 65 K HA 0.088 4.408 4.320 -0.000 0.000 0.265 65 K C 0.534 177.084 176.600 -0.083 0.000 0.978 65 K CA -0.358 55.843 56.287 -0.143 0.000 0.913 65 K CB 0.507 32.836 32.500 -0.286 0.000 0.954 65 K HN 0.345 nan 8.250 nan 0.000 0.511 66 F N -1.623 118.314 119.950 -0.022 0.000 2.522 66 F HA -0.361 4.165 4.527 -0.000 0.000 0.755 66 F C 1.977 177.767 175.800 -0.017 0.000 0.485 66 F CA 1.736 59.722 58.000 -0.024 0.000 0.774 66 F CB -1.511 37.473 39.000 -0.026 0.000 1.618 66 F HN 0.774 nan 8.300 nan 0.000 0.279 67 E N 0.248 120.581 120.200 0.222 0.000 2.108 67 E HA -0.320 4.030 4.350 -0.000 0.000 0.203 67 E C 1.635 178.276 176.600 0.067 0.000 1.022 67 E CA 1.953 58.416 56.400 0.106 0.000 0.823 67 E CB -0.344 29.405 29.700 0.081 0.000 0.744 67 E HN 0.459 nan 8.360 nan 0.000 0.456 68 N N 0.017 118.745 118.700 0.047 0.000 2.025 68 N HA -0.174 4.566 4.740 -0.000 0.000 0.194 68 N C 1.771 177.288 175.510 0.011 0.000 1.044 68 N CA 1.654 54.712 53.050 0.013 0.000 0.851 68 N CB -0.090 38.387 38.487 -0.016 0.000 1.036 68 N HN 0.101 nan 8.380 nan 0.000 0.422 69 M N -0.381 119.226 119.600 0.011 0.000 2.110 69 M HA -0.173 4.307 4.480 -0.000 0.000 0.257 69 M C 2.265 178.581 176.300 0.027 0.000 1.071 69 M CA 2.002 57.310 55.300 0.014 0.000 1.096 69 M CB -1.281 31.336 32.600 0.028 0.000 1.300 69 M HN 0.341 nan 8.290 nan 0.000 0.411 70 G N 0.101 108.929 108.800 0.047 0.000 2.574 70 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.220 70 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.220 70 G C 1.612 176.526 174.900 0.023 0.000 1.173 70 G CA 1.763 46.886 45.100 0.039 0.000 0.772 70 G HN 0.601 nan 8.290 nan 0.000 0.585 71 A N -0.528 122.304 122.820 0.019 0.000 1.873 71 A HA -0.036 4.284 4.320 -0.000 0.000 0.215 71 A C 2.395 179.980 177.584 0.003 0.000 1.186 71 A CA 2.000 54.043 52.037 0.010 0.000 0.616 71 A CB -0.404 18.601 19.000 0.008 0.000 0.823 71 A HN 0.329 nan 8.150 nan 0.000 0.442 72 Q N -0.870 118.930 119.800 0.000 0.000 2.234 72 Q HA -0.127 4.213 4.340 -0.000 0.000 0.206 72 Q C 1.997 177.993 176.000 -0.007 0.000 0.980 72 Q CA 1.451 57.249 55.803 -0.007 0.000 0.869 72 Q CB -0.440 28.291 28.738 -0.011 0.000 0.912 72 Q HN 0.777 nan 8.270 nan 0.000 0.436 73 M N -0.839 118.762 119.600 0.002 0.000 2.098 73 M HA -0.120 4.360 4.480 -0.000 0.000 0.262 73 M C 2.205 178.506 176.300 0.002 0.000 1.072 73 M CA 0.923 56.226 55.300 0.005 0.000 1.133 73 M CB -0.105 32.504 32.600 0.015 0.000 1.344 73 M HN -0.070 nan 8.290 nan 0.000 0.414 74 V N 0.604 120.521 119.914 0.005 0.000 2.392 74 V HA -0.304 3.815 4.120 -0.000 0.000 0.249 74 V C 2.139 178.225 176.094 -0.014 0.000 1.059 74 V CA 1.770 64.071 62.300 0.003 0.000 1.051 74 V CB -0.720 31.107 31.823 0.007 0.000 0.658 74 V HN 0.436 nan 8.190 nan 0.000 0.455 75 K N -0.411 119.979 120.400 -0.017 0.000 2.097 75 K HA -0.227 4.092 4.320 -0.000 0.000 0.206 75 K C 2.265 178.837 176.600 -0.048 0.000 1.049 75 K CA 1.629 57.898 56.287 -0.029 0.000 0.933 75 K CB -0.158 32.327 32.500 -0.025 0.000 0.717 75 K HN 0.524 nan 8.250 nan 0.000 0.442 76 E N 0.520 120.694 120.200 -0.043 0.000 2.047 76 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 76 E C 1.999 178.535 176.600 -0.106 0.000 0.987 76 E CA 0.930 57.294 56.400 -0.060 0.000 0.799 76 E CB 0.185 29.861 29.700 -0.039 0.000 0.752 76 E HN 0.031 nan 8.360 nan 0.000 0.449 77 V N 0.942 120.802 119.914 -0.091 0.000 2.295 77 V HA -0.251 3.868 4.120 -0.000 0.000 0.246 77 V C 2.349 178.290 176.094 -0.255 0.000 1.049 77 V CA 1.923 64.139 62.300 -0.139 0.000 1.024 77 V CB -0.499 31.325 31.823 0.001 0.000 0.648 77 V HN 0.405 nan 8.190 nan 0.000 0.447 78 A N -1.019 121.720 122.820 -0.135 0.000 2.015 78 A HA -0.192 4.127 4.320 -0.000 0.000 0.219 78 A C 2.537 180.029 177.584 -0.154 0.000 1.163 78 A CA 2.003 53.971 52.037 -0.116 0.000 0.646 78 A CB -0.634 18.336 19.000 -0.051 0.000 0.806 78 A HN 0.546 nan 8.150 nan 0.000 0.448 79 S N -0.348 115.261 115.700 -0.152 0.000 2.355 79 S HA -0.196 4.274 4.470 -0.000 0.000 0.222 79 S C 2.028 176.508 174.600 -0.200 0.000 1.031 79 S CA 1.781 59.895 58.200 -0.143 0.000 0.993 79 S CB -0.338 62.800 63.200 -0.103 0.000 0.859 79 S HN 0.554 nan 8.310 nan 0.000 0.453 80 K N 0.706 120.924 120.400 -0.304 0.000 2.127 80 K HA -0.134 4.186 4.320 -0.000 0.000 0.208 80 K C 2.309 178.630 176.600 -0.465 0.000 1.047 80 K CA 1.280 57.315 56.287 -0.421 0.000 0.927 80 K CB -0.542 31.578 32.500 -0.633 0.000 0.716 80 K HN 0.505 nan 8.250 nan 0.000 0.450 81 A N 1.691 124.200 122.820 -0.518 0.000 1.873 81 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 81 A C 1.987 179.533 177.584 -0.064 0.000 1.193 81 A CA 1.931 53.876 52.037 -0.154 0.000 0.629 81 A CB -0.846 18.146 19.000 -0.012 0.000 0.826 81 A HN 0.373 nan 8.150 nan 0.000 0.447 82 N N 0.187 118.827 118.700 -0.100 0.000 2.137 82 N HA -0.188 4.552 4.740 -0.000 0.000 0.190 82 N C 0.876 176.330 175.510 -0.093 0.000 1.017 82 N CA 1.777 54.772 53.050 -0.091 0.000 0.859 82 N CB -0.366 38.063 38.487 -0.097 0.000 1.002 82 N HN 0.437 nan 8.380 nan 0.000 0.428 83 D N 0.070 120.419 120.400 -0.086 0.000 2.263 83 D HA -0.067 4.572 4.640 -0.000 0.000 0.208 83 D C 0.480 176.779 176.300 -0.002 0.000 0.971 83 D CA 0.614 54.585 54.000 -0.049 0.000 0.867 83 D CB -0.082 40.688 40.800 -0.050 0.000 0.929 83 D HN 0.291 nan 8.370 nan 0.000 0.492 84 A N -0.922 121.908 122.820 0.016 0.000 3.201 84 A HA 0.749 5.069 4.320 -0.000 0.000 0.312 84 A C 0.605 178.228 177.584 0.064 0.000 1.011 84 A CA 0.366 52.445 52.037 0.070 0.000 0.987 84 A CB 0.345 19.434 19.000 0.149 0.000 1.060 84 A HN 0.107 nan 8.150 nan 0.000 0.505 85 A N -1.042 121.800 122.820 0.037 0.000 3.539 85 A HA 0.468 4.788 4.320 -0.000 0.000 0.105 85 A C 1.366 178.915 177.584 -0.058 0.000 1.305 85 A CA 1.035 53.083 52.037 0.018 0.000 1.242 85 A CB -1.000 18.010 19.000 0.016 0.000 0.927 85 A HN 2.123 nan 8.150 nan 0.000 0.434 86 G N -0.756 107.938 108.800 -0.177 0.000 2.318 86 G HA2 0.120 4.080 3.960 -0.000 0.000 0.172 86 G HA3 0.120 4.080 3.960 -0.000 0.000 0.172 86 G C -0.289 174.502 174.900 -0.182 0.000 1.002 86 G CA 0.979 45.866 45.100 -0.355 0.000 0.697 86 G HN 0.998 nan 8.290 nan 0.000 0.483 87 D N -1.760 118.583 120.400 -0.096 0.000 2.752 87 D HA 0.534 5.173 4.640 -0.000 0.000 0.313 87 D C 1.065 177.342 176.300 -0.039 0.000 1.225 87 D CA 0.401 54.365 54.000 -0.060 0.000 0.976 87 D CB 1.211 41.989 40.800 -0.037 0.000 1.443 87 D HN 1.098 nan 8.370 nan 0.000 0.515 88 G N -0.441 108.344 108.800 -0.025 0.000 2.218 88 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.216 88 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.216 88 G C 1.115 176.008 174.900 -0.012 0.000 0.994 88 G CA 0.902 45.998 45.100 -0.007 0.000 0.637 88 G HN 0.503 nan 8.290 nan 0.000 0.505 89 T N 1.395 115.931 114.554 -0.030 0.000 2.635 89 T HA -0.272 4.078 4.350 -0.000 0.000 0.265 89 T C 2.485 177.172 174.700 -0.021 0.000 1.058 89 T CA 2.943 65.021 62.100 -0.036 0.000 1.162 89 T CB -0.717 68.125 68.868 -0.044 0.000 0.859 89 T HN 0.601 nan 8.240 nan 0.000 0.449 90 T N 1.453 115.997 114.554 -0.016 0.000 2.777 90 T HA -0.091 4.259 4.350 -0.000 0.000 0.266 90 T C 2.313 177.013 174.700 -0.001 0.000 1.040 90 T CA 1.634 63.729 62.100 -0.009 0.000 1.141 90 T CB -0.784 68.079 68.868 -0.008 0.000 0.868 90 T HN 0.437 nan 8.240 nan 0.000 0.444 91 T N 2.372 116.927 114.554 0.003 0.000 2.652 91 T HA -0.105 4.245 4.350 -0.000 0.000 0.267 91 T C 2.440 177.151 174.700 0.018 0.000 1.039 91 T CA 1.319 63.425 62.100 0.011 0.000 1.153 91 T CB -0.801 68.076 68.868 0.014 0.000 0.863 91 T HN 0.447 nan 8.240 nan 0.000 0.428 92 A N 1.575 124.408 122.820 0.022 0.000 1.881 92 A HA -0.266 4.054 4.320 -0.000 0.000 0.219 92 A C 2.571 180.169 177.584 0.024 0.000 1.215 92 A CA 2.727 54.784 52.037 0.033 0.000 0.648 92 A CB -1.603 17.411 19.000 0.024 0.000 0.832 92 A HN 0.513 nan 8.150 nan 0.000 0.455 93 T N -0.442 114.118 114.554 0.009 0.000 2.684 93 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 93 T C 1.872 176.579 174.700 0.011 0.000 1.036 93 T CA 1.711 63.816 62.100 0.007 0.000 1.148 93 T CB -0.556 68.312 68.868 -0.001 0.000 0.863 93 T HN 0.193 nan 8.240 nan 0.000 0.436 94 V N 1.295 121.215 119.914 0.011 0.000 2.407 94 V HA -0.106 4.014 4.120 -0.000 0.000 0.248 94 V C 2.437 178.540 176.094 0.015 0.000 1.055 94 V CA 1.427 63.733 62.300 0.012 0.000 1.049 94 V CB -0.685 31.145 31.823 0.011 0.000 0.662 94 V HN 0.415 nan 8.190 nan 0.000 0.455 95 L N 0.002 121.236 121.223 0.019 0.000 2.072 95 L HA -0.065 4.275 4.340 -0.000 0.000 0.205 95 L C 2.754 179.638 176.870 0.023 0.000 1.079 95 L CA 1.365 56.218 54.840 0.022 0.000 0.752 95 L CB -0.801 41.274 42.059 0.027 0.000 0.906 95 L HN 0.320 nan 8.230 nan 0.000 0.436 96 A N -0.343 122.493 122.820 0.026 0.000 1.892 96 A HA -0.317 4.003 4.320 -0.000 0.000 0.218 96 A C 2.289 179.886 177.584 0.021 0.000 1.188 96 A CA 2.127 54.181 52.037 0.028 0.000 0.631 96 A CB -0.678 18.340 19.000 0.030 0.000 0.822 96 A HN 0.520 nan 8.150 nan 0.000 0.447 97 Q N -0.663 119.147 119.800 0.017 0.000 2.124 97 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 97 Q C 2.130 178.138 176.000 0.013 0.000 0.977 97 Q CA 1.487 57.298 55.803 0.014 0.000 0.850 97 Q CB -0.309 28.436 28.738 0.011 0.000 0.901 97 Q HN 0.604 nan 8.270 nan 0.000 0.429 98 A N 0.585 123.413 122.820 0.014 0.000 1.929 98 A HA -0.094 4.225 4.320 -0.000 0.000 0.216 98 A C 1.909 179.501 177.584 0.013 0.000 1.176 98 A CA 1.021 53.066 52.037 0.013 0.000 0.628 98 A CB -0.411 18.596 19.000 0.013 0.000 0.816 98 A HN 0.437 nan 8.150 nan 0.000 0.444 99 I N -0.153 120.426 120.570 0.015 0.000 2.141 99 I HA -0.198 3.971 4.170 -0.000 0.000 0.236 99 I C 2.244 178.370 176.117 0.014 0.000 1.071 99 I CA 1.185 62.494 61.300 0.014 0.000 1.345 99 I CB -0.544 37.466 38.000 0.017 0.000 1.066 99 I HN 0.241 nan 8.210 nan 0.000 0.406 100 I N 0.654 121.233 120.570 0.016 0.000 2.147 100 I HA -0.397 3.773 4.170 -0.000 0.000 0.245 100 I C 2.643 178.767 176.117 0.012 0.000 1.059 100 I CA 1.958 63.267 61.300 0.015 0.000 1.320 100 I CB -1.067 36.943 38.000 0.016 0.000 1.021 100 I HN 0.328 nan 8.210 nan 0.000 0.415 101 T N 0.038 114.598 114.554 0.011 0.000 2.720 101 T HA -0.155 4.195 4.350 -0.000 0.000 0.268 101 T C 1.839 176.544 174.700 0.007 0.000 1.037 101 T CA 1.433 63.538 62.100 0.009 0.000 1.144 101 T CB -0.093 68.779 68.868 0.008 0.000 0.864 101 T HN 0.318 nan 8.240 nan 0.000 0.444 102 E N 0.176 120.381 120.200 0.008 0.000 2.086 102 E HA 0.095 4.445 4.350 -0.000 0.000 0.190 102 E C 2.442 179.046 176.600 0.007 0.000 0.975 102 E CA 0.772 57.176 56.400 0.007 0.000 0.813 102 E CB -0.850 28.854 29.700 0.007 0.000 0.768 102 E HN 0.514 nan 8.360 nan 0.000 0.457 103 G N 1.936 110.741 108.800 0.008 0.000 2.587 103 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.217 103 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.217 103 G C 1.508 176.413 174.900 0.008 0.000 1.240 103 G CA 0.712 45.817 45.100 0.009 0.000 0.794 103 G HN 0.175 nan 8.290 nan 0.000 0.580 104 L N 1.032 122.260 121.223 0.008 0.000 2.127 104 L HA -0.016 4.324 4.340 -0.000 0.000 0.211 104 L C 2.672 179.545 176.870 0.005 0.000 1.089 104 L CA 1.974 56.818 54.840 0.007 0.000 0.757 104 L CB -0.676 41.387 42.059 0.007 0.000 0.899 104 L HN 0.359 nan 8.230 nan 0.000 0.434 105 K N -0.943 119.460 120.400 0.005 0.000 2.097 105 K HA -0.113 4.207 4.320 -0.000 0.000 0.205 105 K C 2.056 178.657 176.600 0.003 0.000 1.050 105 K CA 1.073 57.361 56.287 0.003 0.000 0.938 105 K CB 0.003 32.505 32.500 0.003 0.000 0.718 105 K HN 0.259 nan 8.250 nan 0.000 0.442 106 A N 1.005 123.828 122.820 0.004 0.000 1.858 106 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 106 A C 2.257 179.843 177.584 0.004 0.000 1.190 106 A CA 1.915 53.954 52.037 0.004 0.000 0.617 106 A CB -1.055 17.948 19.000 0.005 0.000 0.827 106 A HN 0.315 nan 8.150 nan 0.000 0.443 107 V N -1.636 118.281 119.914 0.005 0.000 2.515 107 V HA 0.039 4.159 4.120 -0.000 0.000 0.250 107 V C 2.327 178.424 176.094 0.004 0.000 1.058 107 V CA 2.116 64.419 62.300 0.005 0.000 1.064 107 V CB -0.872 30.956 31.823 0.007 0.000 0.675 107 V HN 0.571 nan 8.190 nan 0.000 0.461 108 A N -0.224 122.598 122.820 0.003 0.000 2.206 108 A HA 0.466 4.785 4.320 -0.000 0.000 0.211 108 A C 2.269 179.853 177.584 0.000 0.000 1.158 108 A CA 1.301 53.339 52.037 0.001 0.000 0.761 108 A CB -0.606 18.394 19.000 0.000 0.000 0.801 108 A HN 1.011 nan 8.150 nan 0.000 0.473 109 A N -1.716 121.104 122.820 0.001 0.000 2.132 109 A HA 0.439 4.759 4.320 -0.000 0.000 0.213 109 A C 1.602 179.187 177.584 0.000 0.000 1.154 109 A CA 1.156 53.194 52.037 0.001 0.000 0.753 109 A CB -0.386 18.615 19.000 0.001 0.000 0.826 109 A HN 1.737 nan 8.150 nan 0.000 0.469 110 G N -1.358 107.443 108.800 0.001 0.000 2.151 110 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.156 110 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.156 110 G C -0.050 174.850 174.900 0.001 0.000 1.017 110 G CA 0.137 45.237 45.100 0.000 0.000 0.686 110 G HN 0.315 nan 8.290 nan 0.000 0.503 111 M N -0.068 119.533 119.600 0.002 0.000 2.706 111 M HA 0.418 4.898 4.480 -0.000 0.000 0.304 111 M C 0.323 176.624 176.300 0.003 0.000 1.217 111 M CA -0.980 54.321 55.300 0.002 0.000 0.922 111 M CB 1.041 33.643 32.600 0.003 0.000 1.637 111 M HN 0.077 nan 8.290 nan 0.000 0.492 112 N N 1.584 120.286 118.700 0.003 0.000 2.401 112 N HA 0.181 4.921 4.740 -0.000 0.000 0.255 112 N C -2.195 173.318 175.510 0.005 0.000 1.110 112 N CA -1.411 51.641 53.050 0.004 0.000 0.949 112 N CB 1.283 39.772 38.487 0.003 0.000 1.110 112 N HN 0.246 nan 8.380 nan 0.000 0.490 113 P HA -0.090 nan 4.420 nan 0.000 0.218 113 P C 1.217 178.522 177.300 0.008 0.000 1.148 113 P CA 1.096 64.201 63.100 0.009 0.000 0.822 113 P CB 0.293 32.000 31.700 0.011 0.000 0.784 114 M N -1.279 118.326 119.600 0.008 0.000 2.447 114 M HA -0.040 4.440 4.480 -0.000 0.000 0.264 114 M C 1.249 177.553 176.300 0.006 0.000 1.095 114 M CA 1.426 56.731 55.300 0.007 0.000 1.125 114 M CB -0.511 32.093 32.600 0.007 0.000 1.389 114 M HN -0.225 nan 8.290 nan 0.000 0.459 115 D N -0.401 120.002 120.400 0.005 0.000 2.162 115 D HA -0.032 4.607 4.640 -0.000 0.000 0.205 115 D C 1.997 178.300 176.300 0.004 0.000 0.964 115 D CA 1.110 55.112 54.000 0.004 0.000 0.847 115 D CB -0.116 40.686 40.800 0.003 0.000 0.988 115 D HN 0.317 nan 8.370 nan 0.000 0.480 116 L N 0.942 122.168 121.223 0.005 0.000 2.042 116 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 116 L C 2.526 179.400 176.870 0.006 0.000 1.076 116 L CA 1.177 56.021 54.840 0.006 0.000 0.749 116 L CB -0.217 41.846 42.059 0.007 0.000 0.893 116 L HN -0.016 nan 8.230 nan 0.000 0.432 117 K N 0.205 120.609 120.400 0.007 0.000 1.973 117 K HA -0.231 4.089 4.320 -0.000 0.000 0.212 117 K C 2.271 178.874 176.600 0.005 0.000 1.047 117 K CA 1.358 57.649 56.287 0.007 0.000 0.937 117 K CB -0.102 32.403 32.500 0.008 0.000 0.721 117 K HN 0.007 nan 8.250 nan 0.000 0.440 118 R N -0.175 120.327 120.500 0.004 0.000 2.162 118 R HA -0.224 4.115 4.340 -0.000 0.000 0.245 118 R C 2.296 178.597 176.300 0.002 0.000 1.129 118 R CA 2.154 58.255 56.100 0.002 0.000 0.940 118 R CB -1.014 29.288 30.300 0.002 0.000 0.875 118 R HN 0.522 nan 8.270 nan 0.000 0.437 119 G N 0.766 109.568 108.800 0.003 0.000 2.586 119 G HA2 -0.335 3.624 3.960 -0.000 0.000 0.218 119 G HA3 -0.335 3.624 3.960 -0.000 0.000 0.218 119 G C 1.451 176.353 174.900 0.003 0.000 1.216 119 G CA 1.442 46.544 45.100 0.003 0.000 0.786 119 G HN 0.360 nan 8.290 nan 0.000 0.583 120 I N 1.201 121.773 120.570 0.004 0.000 2.143 120 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 120 I C 2.421 178.539 176.117 0.001 0.000 1.068 120 I CA 1.896 63.199 61.300 0.004 0.000 1.326 120 I CB -0.185 37.819 38.000 0.006 0.000 1.028 120 I HN 0.175 nan 8.210 nan 0.000 0.412 121 D N 0.195 120.594 120.400 -0.000 0.000 2.144 121 D HA -0.188 4.452 4.640 -0.000 0.000 0.200 121 D C 2.058 178.355 176.300 -0.005 0.000 0.978 121 D CA 1.038 55.036 54.000 -0.004 0.000 0.833 121 D CB -0.251 40.546 40.800 -0.006 0.000 0.961 121 D HN 0.348 nan 8.370 nan 0.000 0.470 122 K N 0.983 121.381 120.400 -0.003 0.000 2.063 122 K HA -0.125 4.195 4.320 -0.000 0.000 0.208 122 K C 2.077 178.676 176.600 -0.001 0.000 1.048 122 K CA 1.262 57.548 56.287 -0.002 0.000 0.928 122 K CB -0.016 32.484 32.500 -0.001 0.000 0.713 122 K HN 0.004 nan 8.250 nan 0.000 0.442 123 A N 0.537 123.358 122.820 0.000 0.000 1.883 123 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 123 A C 2.237 179.822 177.584 0.000 0.000 1.186 123 A CA 1.910 53.949 52.037 0.002 0.000 0.624 123 A CB -0.777 18.225 19.000 0.004 0.000 0.822 123 A HN 0.176 nan 8.150 nan 0.000 0.444 124 V N -0.374 119.539 119.914 -0.002 0.000 2.343 124 V HA -0.233 3.887 4.120 -0.000 0.000 0.247 124 V C 2.713 178.802 176.094 -0.009 0.000 1.051 124 V CA 2.445 64.742 62.300 -0.006 0.000 1.036 124 V CB -1.391 30.425 31.823 -0.010 0.000 0.654 124 V HN 0.607 nan 8.190 nan 0.000 0.451 125 T N 0.427 114.975 114.554 -0.009 0.000 2.684 125 T HA -0.206 4.144 4.350 -0.000 0.000 0.267 125 T C 2.058 176.754 174.700 -0.006 0.000 1.036 125 T CA 1.860 63.954 62.100 -0.010 0.000 1.148 125 T CB -0.420 68.443 68.868 -0.009 0.000 0.863 125 T HN 0.592 nan 8.240 nan 0.000 0.436 126 A N 1.332 124.150 122.820 -0.003 0.000 1.855 126 A HA 0.217 4.537 4.320 -0.000 0.000 0.215 126 A C 2.662 180.247 177.584 0.002 0.000 1.191 126 A CA 1.808 53.845 52.037 0.000 0.000 0.613 126 A CB -1.198 17.803 19.000 0.002 0.000 0.829 126 A HN 0.499 nan 8.150 nan 0.000 0.442 127 A N -0.484 122.338 122.820 0.002 0.000 1.908 127 A HA -0.040 4.279 4.320 -0.000 0.000 0.218 127 A C 2.209 179.795 177.584 0.004 0.000 1.181 127 A CA 1.868 53.908 52.037 0.005 0.000 0.627 127 A CB -1.046 17.958 19.000 0.006 0.000 0.818 127 A HN 0.432 nan 8.150 nan 0.000 0.445 128 V N 0.213 120.126 119.914 -0.001 0.000 2.392 128 V HA -0.246 3.874 4.120 -0.000 0.000 0.249 128 V C 2.613 178.707 176.094 -0.000 0.000 1.059 128 V CA 2.224 64.522 62.300 -0.003 0.000 1.051 128 V CB -0.767 31.049 31.823 -0.011 0.000 0.658 128 V HN 0.489 nan 8.190 nan 0.000 0.455 129 E N 0.051 120.251 120.200 0.000 0.000 2.023 129 E HA -0.191 4.159 4.350 -0.000 0.000 0.196 129 E C 2.319 178.923 176.600 0.006 0.000 1.003 129 E CA 1.170 57.572 56.400 0.002 0.000 0.809 129 E CB -0.505 29.196 29.700 0.002 0.000 0.755 129 E HN 0.553 nan 8.360 nan 0.000 0.449 130 E N 0.377 120.581 120.200 0.007 0.000 2.147 130 E HA -0.208 4.142 4.350 -0.000 0.000 0.199 130 E C 2.254 178.861 176.600 0.013 0.000 1.005 130 E CA 0.653 57.059 56.400 0.010 0.000 0.810 130 E CB -0.336 29.371 29.700 0.012 0.000 0.736 130 E HN 0.127 nan 8.360 nan 0.000 0.460 131 L N 1.267 122.497 121.223 0.012 0.000 2.017 131 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 131 L C 2.195 179.072 176.870 0.013 0.000 1.073 131 L CA 1.729 56.577 54.840 0.013 0.000 0.745 131 L CB -0.229 41.837 42.059 0.011 0.000 0.894 131 L HN -0.001 nan 8.230 nan 0.000 0.432 132 K N -1.082 119.324 120.400 0.010 0.000 2.280 132 K HA -0.083 4.236 4.320 -0.000 0.000 0.202 132 K C 1.987 178.593 176.600 0.011 0.000 1.047 132 K CA 0.999 57.292 56.287 0.010 0.000 0.942 132 K CB -0.224 32.280 32.500 0.007 0.000 0.739 132 K HN 0.383 nan 8.250 nan 0.000 0.457 133 A N 1.297 124.124 122.820 0.011 0.000 1.874 133 A HA -0.079 4.240 4.320 -0.000 0.000 0.214 133 A C 2.045 179.637 177.584 0.015 0.000 1.189 133 A CA 0.755 52.799 52.037 0.012 0.000 0.615 133 A CB -0.348 18.659 19.000 0.011 0.000 0.830 133 A HN 0.230 nan 8.150 nan 0.000 0.443 134 L N 0.313 121.546 121.223 0.017 0.000 2.217 134 L HA 0.087 4.426 4.340 -0.000 0.000 0.211 134 L C 1.387 178.270 176.870 0.022 0.000 1.107 134 L CA 1.289 56.142 54.840 0.022 0.000 0.783 134 L CB -0.622 41.453 42.059 0.025 0.000 0.919 134 L HN 0.263 nan 8.230 nan 0.000 0.442 135 S N -0.248 115.463 115.700 0.019 0.000 2.575 135 S HA 0.091 4.561 4.470 -0.000 0.000 0.295 135 S C -0.083 174.527 174.600 0.017 0.000 1.267 135 S CA -0.445 57.766 58.200 0.018 0.000 1.074 135 S CB -0.069 63.140 63.200 0.015 0.000 0.829 135 S HN 0.113 nan 8.310 nan 0.000 0.497 136 V N 9.164 129.088 119.914 0.018 0.000 2.364 136 V HA 0.351 4.471 4.120 -0.000 0.000 0.272 136 V C -1.887 174.216 176.094 0.015 0.000 1.036 136 V CA -1.810 60.500 62.300 0.016 0.000 0.880 136 V CB 1.072 32.906 31.823 0.018 0.000 0.991 136 V HN 0.784 nan 8.190 nan 0.000 0.460 137 P HA 0.087 nan 4.420 nan 0.000 0.269 137 P C -0.581 176.726 177.300 0.012 0.000 1.217 137 P CA -0.096 63.011 63.100 0.012 0.000 0.783 137 P CB 0.351 32.057 31.700 0.010 0.000 0.898 138 C N 1.838 121.145 119.300 0.011 0.000 2.919 138 C HA 0.573 5.033 4.460 -0.000 0.000 0.337 138 C C 1.020 176.015 174.990 0.010 0.000 1.039 138 C CA 0.387 59.412 59.018 0.011 0.000 1.373 138 C CB -0.587 27.161 27.740 0.012 0.000 1.843 138 C HN 0.636 nan 8.230 nan 0.000 0.493 139 S N 2.873 118.578 115.700 0.008 0.000 3.056 139 S HA 0.218 4.688 4.470 -0.000 0.000 0.255 139 S C 0.305 174.908 174.600 0.006 0.000 1.079 139 S CA 0.666 58.871 58.200 0.007 0.000 0.810 139 S CB -0.085 63.119 63.200 0.007 0.000 0.810 139 S HN 0.934 nan 8.310 nan 0.000 0.477 140 D N 1.177 121.580 120.400 0.005 0.000 2.354 140 D HA 0.352 4.992 4.640 -0.000 0.000 0.247 140 D C 0.921 177.224 176.300 0.004 0.000 1.138 140 D CA -0.187 53.815 54.000 0.004 0.000 0.958 140 D CB 0.946 41.748 40.800 0.004 0.000 1.144 140 D HN 0.109 nan 8.370 nan 0.000 0.458 141 S N -0.095 115.606 115.700 0.003 0.000 2.374 141 S HA -0.221 4.249 4.470 -0.000 0.000 0.227 141 S C 1.618 176.220 174.600 0.003 0.000 1.037 141 S CA 1.587 59.788 58.200 0.002 0.000 1.024 141 S CB -0.322 62.878 63.200 0.001 0.000 0.861 141 S HN 0.623 nan 8.310 nan 0.000 0.456 142 K N 0.847 121.249 120.400 0.003 0.000 2.074 142 K HA -0.136 4.184 4.320 -0.000 0.000 0.209 142 K C 1.983 178.586 176.600 0.005 0.000 1.048 142 K CA 1.492 57.782 56.287 0.004 0.000 0.926 142 K CB -0.309 32.193 32.500 0.004 0.000 0.713 142 K HN 0.339 nan 8.250 nan 0.000 0.444 143 A N 0.356 123.179 122.820 0.005 0.000 1.975 143 A HA -0.008 4.312 4.320 -0.000 0.000 0.215 143 A C 1.881 179.469 177.584 0.007 0.000 1.170 143 A CA 0.578 52.619 52.037 0.007 0.000 0.656 143 A CB -0.260 18.745 19.000 0.008 0.000 0.821 143 A HN 0.201 nan 8.150 nan 0.000 0.449 144 I N 0.512 121.086 120.570 0.006 0.000 2.099 144 I HA -0.250 3.919 4.170 -0.000 0.000 0.239 144 I C 2.992 179.112 176.117 0.005 0.000 1.066 144 I CA 1.467 62.771 61.300 0.006 0.000 1.324 144 I CB -1.677 36.326 38.000 0.004 0.000 1.037 144 I HN 0.343 nan 8.210 nan 0.000 0.401 145 A N 0.084 122.907 122.820 0.004 0.000 1.892 145 A HA -0.317 4.003 4.320 -0.000 0.000 0.218 145 A C 2.364 179.950 177.584 0.004 0.000 1.188 145 A CA 2.298 54.337 52.037 0.003 0.000 0.631 145 A CB -0.949 18.052 19.000 0.002 0.000 0.822 145 A HN 0.610 nan 8.150 nan 0.000 0.447 146 Q N -0.508 119.294 119.800 0.004 0.000 2.030 146 Q HA -0.162 4.177 4.340 -0.000 0.000 0.204 146 Q C 2.072 178.075 176.000 0.005 0.000 0.986 146 Q CA 2.267 58.072 55.803 0.005 0.000 0.843 146 Q CB -0.279 28.462 28.738 0.005 0.000 0.904 146 Q HN 0.398 nan 8.270 nan 0.000 0.420 147 V N 0.492 120.410 119.914 0.007 0.000 2.343 147 V HA -0.209 3.911 4.120 -0.000 0.000 0.247 147 V C 2.285 178.385 176.094 0.010 0.000 1.051 147 V CA 1.898 64.204 62.300 0.009 0.000 1.036 147 V CB -1.045 30.785 31.823 0.012 0.000 0.654 147 V HN 0.663 nan 8.190 nan 0.000 0.451 148 G N 0.129 108.935 108.800 0.009 0.000 2.514 148 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.217 148 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.217 148 G C 1.809 176.713 174.900 0.007 0.000 1.198 148 G CA 2.077 47.183 45.100 0.009 0.000 0.780 148 G HN 0.567 nan 8.290 nan 0.000 0.565 149 T N -0.168 114.388 114.554 0.004 0.000 2.720 149 T HA -0.096 4.254 4.350 -0.000 0.000 0.268 149 T C 2.417 177.117 174.700 0.001 0.000 1.037 149 T CA 1.441 63.542 62.100 0.002 0.000 1.144 149 T CB -0.351 68.518 68.868 0.001 0.000 0.864 149 T HN 0.186 nan 8.240 nan 0.000 0.444 150 I N 1.120 121.691 120.570 0.001 0.000 2.454 150 I HA -0.108 4.062 4.170 -0.000 0.000 0.254 150 I C 2.939 179.055 176.117 -0.001 0.000 1.156 150 I CA 1.133 62.433 61.300 -0.002 0.000 1.433 150 I CB -0.242 37.757 38.000 -0.001 0.000 1.082 150 I HN 0.314 nan 8.210 nan 0.000 0.432 151 S N -0.172 115.530 115.700 0.004 0.000 2.425 151 S HA 0.114 4.584 4.470 -0.000 0.000 0.225 151 S C 1.908 176.511 174.600 0.006 0.000 1.024 151 S CA 0.803 59.007 58.200 0.006 0.000 0.951 151 S CB -0.018 63.191 63.200 0.014 0.000 0.796 151 S HN 0.438 nan 8.310 nan 0.000 0.498 152 A N 1.803 124.626 122.820 0.006 0.000 2.276 152 A HA 0.259 4.579 4.320 -0.000 0.000 0.212 152 A C 0.474 178.057 177.584 -0.000 0.000 1.230 152 A CA 0.057 52.097 52.037 0.005 0.000 0.844 152 A CB -0.891 18.112 19.000 0.005 0.000 0.860 152 A HN 0.762 nan 8.150 nan 0.000 0.486 153 N N 0.139 118.838 118.700 -0.003 0.000 2.411 153 N HA -0.190 4.550 4.740 -0.000 0.000 0.286 153 N C -0.201 175.305 175.510 -0.007 0.000 1.382 153 N CA 0.426 53.472 53.050 -0.007 0.000 0.630 153 N CB -1.050 37.432 38.487 -0.008 0.000 0.904 153 N HN 0.391 nan 8.380 nan 0.000 0.516 154 S N 1.237 116.933 115.700 -0.008 0.000 3.348 154 S HA -0.213 4.257 4.470 -0.000 0.000 0.366 154 S C -0.275 174.322 174.600 -0.005 0.000 0.953 154 S CA 1.228 59.424 58.200 -0.007 0.000 1.255 154 S CB -0.611 62.583 63.200 -0.010 0.000 0.906 154 S HN 0.680 nan 8.310 nan 0.000 0.495 155 D N 0.376 120.774 120.400 -0.003 0.000 2.460 155 D HA 0.295 4.935 4.640 -0.000 0.000 0.268 155 D C 0.991 177.291 176.300 -0.001 0.000 1.153 155 D CA -0.578 53.420 54.000 -0.002 0.000 0.929 155 D CB 0.417 41.216 40.800 -0.002 0.000 1.015 155 D HN 0.383 nan 8.370 nan 0.000 0.502 156 E N 0.136 120.335 120.200 -0.001 0.000 2.169 156 E HA -0.270 4.080 4.350 -0.000 0.000 0.202 156 E C 1.755 178.355 176.600 -0.001 0.000 1.016 156 E CA 2.025 58.425 56.400 -0.001 0.000 0.817 156 E CB 0.217 29.916 29.700 -0.001 0.000 0.736 156 E HN 0.584 nan 8.360 nan 0.000 0.462 157 T N -1.531 113.023 114.554 -0.001 0.000 2.881 157 T HA -0.107 4.243 4.350 -0.000 0.000 0.270 157 T C 1.912 176.611 174.700 -0.001 0.000 1.068 157 T CA 1.211 63.311 62.100 -0.001 0.000 1.131 157 T CB -0.276 68.591 68.868 -0.001 0.000 0.871 157 T HN -0.026 nan 8.240 nan 0.000 0.479 158 V N 1.835 121.749 119.914 -0.000 0.000 2.239 158 V HA 0.109 4.229 4.120 -0.000 0.000 0.242 158 V C 3.157 179.251 176.094 0.001 0.000 1.038 158 V CA 1.726 64.026 62.300 0.000 0.000 1.002 158 V CB -1.569 30.255 31.823 0.002 0.000 0.641 158 V HN 0.628 nan 8.190 nan 0.000 0.449 159 G N -0.294 108.506 108.800 0.001 0.000 2.574 159 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.220 159 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.220 159 G C 1.627 176.527 174.900 0.001 0.000 1.173 159 G CA 1.540 46.641 45.100 0.002 0.000 0.772 159 G HN 0.450 nan 8.290 nan 0.000 0.585 160 K N -0.692 119.708 120.400 -0.000 0.000 2.049 160 K HA -0.199 4.121 4.320 -0.000 0.000 0.219 160 K C 2.528 179.127 176.600 -0.002 0.000 1.056 160 K CA 1.720 58.006 56.287 -0.001 0.000 0.946 160 K CB -0.302 32.197 32.500 -0.001 0.000 0.723 160 K HN 0.240 nan 8.250 nan 0.000 0.453 161 L N 1.062 122.284 121.223 -0.002 0.000 2.005 161 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 161 L C 2.290 179.157 176.870 -0.005 0.000 1.072 161 L CA 1.444 56.282 54.840 -0.004 0.000 0.744 161 L CB -0.655 41.402 42.059 -0.004 0.000 0.895 161 L HN 0.264 nan 8.230 nan 0.000 0.433 162 I N -0.663 119.905 120.570 -0.004 0.000 2.145 162 I HA -0.391 3.779 4.170 -0.000 0.000 0.244 162 I C 2.476 178.590 176.117 -0.005 0.000 1.075 162 I CA 1.560 62.857 61.300 -0.005 0.000 1.332 162 I CB -0.427 37.572 38.000 -0.002 0.000 1.033 162 I HN 0.275 nan 8.210 nan 0.000 0.410 163 A N -0.363 122.455 122.820 -0.003 0.000 2.015 163 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 163 A C 2.181 179.763 177.584 -0.003 0.000 1.163 163 A CA 1.528 53.564 52.037 -0.002 0.000 0.646 163 A CB -0.472 18.528 19.000 -0.000 0.000 0.806 163 A HN 0.466 nan 8.150 nan 0.000 0.448 164 E N -0.520 119.678 120.200 -0.004 0.000 2.158 164 E HA 0.028 4.378 4.350 -0.000 0.000 0.191 164 E C 2.259 178.856 176.600 -0.005 0.000 0.982 164 E CA 0.663 57.061 56.400 -0.004 0.000 0.823 164 E CB -0.152 29.545 29.700 -0.004 0.000 0.766 164 E HN 0.616 nan 8.360 nan 0.000 0.468 165 A N 1.013 123.829 122.820 -0.007 0.000 1.897 165 A HA -0.147 4.173 4.320 -0.000 0.000 0.215 165 A C 2.122 179.701 177.584 -0.009 0.000 1.181 165 A CA 1.109 53.141 52.037 -0.009 0.000 0.620 165 A CB -0.356 18.636 19.000 -0.012 0.000 0.821 165 A HN 0.136 nan 8.150 nan 0.000 0.443 166 M N -0.883 118.712 119.600 -0.008 0.000 2.374 166 M HA -0.114 4.365 4.480 -0.000 0.000 0.264 166 M C 1.573 177.870 176.300 -0.005 0.000 1.067 166 M CA 1.609 56.904 55.300 -0.007 0.000 1.103 166 M CB -0.624 31.973 32.600 -0.006 0.000 1.402 166 M HN 0.370 nan 8.290 nan 0.000 0.444 167 D N 0.928 121.326 120.400 -0.004 0.000 2.144 167 D HA -0.101 4.539 4.640 -0.000 0.000 0.199 167 D C 2.031 178.329 176.300 -0.004 0.000 0.984 167 D CA 1.153 55.151 54.000 -0.003 0.000 0.834 167 D CB 0.272 41.070 40.800 -0.003 0.000 0.955 167 D HN 0.205 nan 8.370 nan 0.000 0.465 168 K N -0.773 119.624 120.400 -0.005 0.000 2.202 168 K HA 0.104 4.424 4.320 -0.000 0.000 0.201 168 K C 1.220 177.817 176.600 -0.005 0.000 1.051 168 K CA 0.273 56.557 56.287 -0.005 0.000 0.977 168 K CB 0.626 33.122 32.500 -0.006 0.000 0.792 168 K HN 0.016 nan 8.250 nan 0.000 0.469 169 V N 0.523 120.434 119.914 -0.006 0.000 3.427 169 V HA 0.240 4.360 4.120 -0.000 0.000 0.305 169 V C -0.246 175.844 176.094 -0.006 0.000 1.412 169 V CA 0.593 62.889 62.300 -0.006 0.000 1.086 169 V CB 0.137 31.955 31.823 -0.008 0.000 0.964 169 V HN 0.546 nan 8.190 nan 0.000 0.439 170 G N 0.865 109.662 108.800 -0.005 0.000 2.705 170 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.686 170 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.686 170 G C 0.082 174.979 174.900 -0.005 0.000 1.285 170 G CA 0.018 45.115 45.100 -0.004 0.000 0.800 170 G HN 0.353 nan 8.290 nan 0.000 0.611 171 K N 0.211 120.609 120.400 -0.003 0.000 2.280 171 K HA -0.055 4.264 4.320 -0.000 0.000 0.202 171 K C 2.050 178.648 176.600 -0.004 0.000 1.047 171 K CA 1.682 57.967 56.287 -0.003 0.000 0.942 171 K CB 0.053 32.553 32.500 0.000 0.000 0.739 171 K HN 0.415 nan 8.250 nan 0.000 0.457 172 E N 0.667 120.865 120.200 -0.003 0.000 2.112 172 E HA 0.007 4.356 4.350 -0.000 0.000 0.190 172 E C 0.856 177.452 176.600 -0.007 0.000 0.979 172 E CA 0.408 56.806 56.400 -0.003 0.000 0.814 172 E CB -0.360 29.340 29.700 -0.000 0.000 0.762 172 E HN 0.319 nan 8.360 nan 0.000 0.460 173 G N 0.351 109.147 108.800 -0.007 0.000 2.562 173 G HA2 0.125 4.085 3.960 -0.000 0.000 0.233 173 G HA3 0.125 4.085 3.960 -0.000 0.000 0.233 173 G C -0.126 174.766 174.900 -0.015 0.000 1.266 173 G CA -0.373 44.722 45.100 -0.008 0.000 0.852 173 G HN 0.032 nan 8.290 nan 0.000 0.581 174 V N 2.175 122.081 119.914 -0.013 0.000 2.479 174 V HA 0.221 4.341 4.120 -0.000 0.000 0.281 174 V C 0.475 176.554 176.094 -0.026 0.000 1.031 174 V CA 0.281 62.569 62.300 -0.021 0.000 1.038 174 V CB 0.169 31.984 31.823 -0.012 0.000 0.981 174 V HN 0.459 nan 8.190 nan 0.000 0.478 175 I N 5.068 125.615 120.570 -0.039 0.000 2.418 175 I HA 0.524 4.693 4.170 -0.000 0.000 0.287 175 I C 0.381 176.469 176.117 -0.049 0.000 1.008 175 I CA -0.240 61.037 61.300 -0.039 0.000 1.104 175 I CB 2.104 40.081 38.000 -0.039 0.000 1.264 175 I HN 0.741 nan 8.210 nan 0.000 0.438 176 T N 2.461 116.992 114.554 -0.038 0.000 2.927 176 T HA 0.808 5.158 4.350 -0.000 0.000 0.286 176 T C -0.472 174.211 174.700 -0.028 0.000 1.040 176 T CA -0.843 61.234 62.100 -0.038 0.000 1.010 176 T CB 2.131 70.979 68.868 -0.032 0.000 1.177 176 T HN 0.193 nan 8.240 nan 0.000 0.546 177 V N 1.028 120.928 119.914 -0.024 0.000 2.531 177 V HA 0.515 4.634 4.120 -0.000 0.000 0.301 177 V C -0.198 175.890 176.094 -0.011 0.000 1.034 177 V CA -0.787 61.503 62.300 -0.016 0.000 0.865 177 V CB 1.387 33.203 31.823 -0.012 0.000 0.995 177 V HN 0.955 nan 8.190 nan 0.000 0.424 178 E N 1.569 121.763 120.200 -0.010 0.000 2.259 178 E HA 0.415 4.765 4.350 -0.000 0.000 0.257 178 E C -1.304 175.292 176.600 -0.006 0.000 0.998 178 E CA -0.986 55.408 56.400 -0.009 0.000 0.866 178 E CB 1.456 31.150 29.700 -0.010 0.000 1.220 178 E HN 0.652 nan 8.360 nan 0.000 0.415 179 D N 0.687 121.084 120.400 -0.006 0.000 2.343 179 D HA 0.208 4.848 4.640 -0.000 0.000 0.255 179 D C -0.013 176.284 176.300 -0.006 0.000 1.187 179 D CA 0.242 54.239 54.000 -0.005 0.000 0.875 179 D CB 0.904 41.702 40.800 -0.004 0.000 1.136 179 D HN 0.435 nan 8.370 nan 0.000 0.469 180 G N 0.810 109.608 108.800 -0.005 0.000 2.594 180 G HA2 0.295 4.254 3.960 -0.000 0.000 0.243 180 G HA3 0.295 4.254 3.960 -0.000 0.000 0.243 180 G C 0.976 175.873 174.900 -0.005 0.000 1.229 180 G CA -0.261 44.836 45.100 -0.005 0.000 0.843 180 G HN 0.510 nan 8.290 nan 0.000 0.578 181 T N -1.540 113.011 114.554 -0.005 0.000 2.969 181 T HA 0.381 4.731 4.350 -0.000 0.000 0.250 181 T C 1.205 175.903 174.700 -0.004 0.000 1.021 181 T CA 0.653 62.750 62.100 -0.005 0.000 1.003 181 T CB 0.506 69.371 68.868 -0.006 0.000 1.040 181 T HN 0.767 nan 8.240 nan 0.000 0.492 182 G N 1.209 110.007 108.800 -0.004 0.000 3.008 182 G HA2 0.536 4.496 3.960 -0.000 0.000 0.181 182 G HA3 0.536 4.496 3.960 -0.000 0.000 0.181 182 G C 0.322 175.220 174.900 -0.003 0.000 1.309 182 G CA -0.323 44.775 45.100 -0.003 0.000 1.009 182 G HN 0.206 nan 8.290 nan 0.000 0.584 183 L N -0.841 120.380 121.223 -0.003 0.000 2.375 183 L HA 0.311 4.651 4.340 -0.000 0.000 0.215 183 L C 0.916 177.784 176.870 -0.003 0.000 1.108 183 L CA 0.650 55.488 54.840 -0.003 0.000 0.830 183 L CB -0.389 41.669 42.059 -0.002 0.000 0.959 183 L HN 0.269 nan 8.230 nan 0.000 0.457 184 Q N 1.469 121.267 119.800 -0.003 0.000 2.293 184 Q HA 0.184 4.524 4.340 -0.000 0.000 0.251 184 Q C -0.860 175.138 176.000 -0.004 0.000 0.930 184 Q CA -0.183 55.618 55.803 -0.003 0.000 0.893 184 Q CB 0.805 29.541 28.738 -0.003 0.000 1.215 184 Q HN 0.317 nan 8.270 nan 0.000 0.425 185 D N 2.144 122.542 120.400 -0.003 0.000 2.264 185 D HA 0.208 4.848 4.640 -0.000 0.000 0.250 185 D C -0.210 176.087 176.300 -0.004 0.000 1.113 185 D CA -0.012 53.986 54.000 -0.004 0.000 0.871 185 D CB 1.246 42.044 40.800 -0.004 0.000 1.167 185 D HN 0.361 nan 8.370 nan 0.000 0.447 186 E N 0.678 120.875 120.200 -0.005 0.000 2.243 186 E HA 0.617 4.967 4.350 -0.000 0.000 0.260 186 E C -0.596 176.001 176.600 -0.006 0.000 0.985 186 E CA -0.897 55.500 56.400 -0.006 0.000 0.858 186 E CB 2.287 31.983 29.700 -0.006 0.000 1.210 186 E HN 0.193 nan 8.360 nan 0.000 0.411 187 L N 2.239 123.458 121.223 -0.006 0.000 2.529 187 L HA 0.325 4.664 4.340 -0.000 0.000 0.258 187 L C -1.570 175.295 176.870 -0.007 0.000 1.032 187 L CA -0.426 54.410 54.840 -0.007 0.000 0.899 187 L CB 0.620 42.675 42.059 -0.007 0.000 1.174 187 L HN 0.527 nan 8.230 nan 0.000 0.458 188 D N 3.196 123.591 120.400 -0.008 0.000 2.294 188 D HA 0.475 5.114 4.640 -0.000 0.000 0.250 188 D C -0.354 175.941 176.300 -0.008 0.000 1.058 188 D CA -0.279 53.716 54.000 -0.008 0.000 0.950 188 D CB 2.781 43.576 40.800 -0.008 0.000 1.158 188 D HN 0.265 nan 8.370 nan 0.000 0.453 189 V N -1.245 118.664 119.914 -0.007 0.000 2.555 189 V HA 0.726 4.846 4.120 -0.000 0.000 0.302 189 V C -0.168 175.922 176.094 -0.007 0.000 1.038 189 V CA -0.762 61.533 62.300 -0.007 0.000 0.887 189 V CB 1.613 33.433 31.823 -0.006 0.000 0.991 189 V HN 0.331 nan 8.190 nan 0.000 0.434 190 V N 2.099 122.009 119.914 -0.006 0.000 3.049 190 V HA 0.510 4.629 4.120 -0.000 0.000 0.309 190 V C -0.491 175.601 176.094 -0.003 0.000 1.148 190 V CA -0.551 61.745 62.300 -0.006 0.000 0.990 190 V CB 2.460 34.279 31.823 -0.008 0.000 1.039 190 V HN 1.038 nan 8.190 nan 0.000 0.430 191 E N 3.488 123.687 120.200 -0.003 0.000 2.463 191 E HA 0.399 4.748 4.350 -0.000 0.000 0.248 191 E C 0.204 176.807 176.600 0.004 0.000 1.106 191 E CA 0.638 57.038 56.400 -0.000 0.000 0.946 191 E CB 0.529 30.228 29.700 -0.001 0.000 0.971 191 E HN 0.916 nan 8.360 nan 0.000 0.478 192 G N 1.666 110.471 108.800 0.009 0.000 2.682 192 G HA2 0.686 4.646 3.960 -0.000 0.000 0.303 192 G HA3 0.686 4.646 3.960 -0.000 0.000 0.303 192 G C -1.109 173.809 174.900 0.030 0.000 1.341 192 G CA -0.627 44.484 45.100 0.018 0.000 0.784 192 G HN 0.371 nan 8.290 nan 0.000 0.497 193 M N -0.228 119.402 119.600 0.050 0.000 2.694 193 M HA 0.498 4.977 4.480 -0.000 0.000 0.276 193 M C -2.308 174.060 176.300 0.114 0.000 1.167 193 M CA -0.636 54.713 55.300 0.082 0.000 0.849 193 M CB 2.523 35.185 32.600 0.103 0.000 1.705 193 M HN 0.749 nan 8.290 nan 0.000 0.504 194 Q N 3.108 122.988 119.800 0.133 0.000 2.340 194 Q HA 0.681 5.021 4.340 -0.000 0.000 0.276 194 Q C -2.274 173.842 176.000 0.193 0.000 1.048 194 Q CA -0.598 55.262 55.803 0.095 0.000 0.832 194 Q CB 2.458 31.189 28.738 -0.011 0.000 1.373 194 Q HN 0.606 nan 8.270 nan 0.000 0.409 195 F N -0.325 119.620 119.950 -0.009 0.000 2.643 195 F HA 0.506 5.033 4.527 -0.000 0.000 0.314 195 F C -0.646 175.150 175.800 -0.005 0.000 1.096 195 F CA -1.179 56.818 58.000 -0.005 0.000 0.953 195 F CB 1.153 40.152 39.000 -0.002 0.000 1.345 195 F HN 0.349 nan 8.300 nan 0.000 0.468 196 D N 2.828 123.325 120.400 0.162 0.000 2.801 196 D HA 0.139 4.779 4.640 -0.000 0.000 0.232 196 D C -0.294 176.034 176.300 0.047 0.000 1.128 196 D CA 0.273 54.301 54.000 0.048 0.000 1.003 196 D CB -0.005 40.834 40.800 0.066 0.000 1.110 196 D HN 0.258 nan 8.370 nan 0.000 0.477 197 R N 0.105 120.575 120.500 -0.051 0.000 2.628 197 R HA 0.545 4.885 4.340 -0.000 0.000 0.288 197 R C 0.276 176.488 176.300 -0.146 0.000 0.980 197 R CA -0.732 55.354 56.100 -0.022 0.000 0.891 197 R CB 2.287 32.683 30.300 0.160 0.000 1.188 197 R HN 0.130 nan 8.270 nan 0.000 0.450 198 G N 1.181 109.893 108.800 -0.147 0.000 2.491 198 G HA2 0.441 4.401 3.960 -0.000 0.000 0.327 198 G HA3 0.441 4.401 3.960 -0.000 0.000 0.327 198 G C -0.518 174.270 174.900 -0.187 0.000 1.189 198 G CA -0.591 44.337 45.100 -0.286 0.000 0.956 198 G HN 0.453 nan 8.290 nan 0.000 0.491 199 Y N -1.210 119.112 120.300 0.036 0.000 2.812 199 Y HA 0.147 4.697 4.550 -0.000 0.000 0.348 199 Y C 1.147 177.143 175.900 0.160 0.000 1.274 199 Y CA -0.626 57.536 58.100 0.104 0.000 1.489 199 Y CB 0.310 38.899 38.460 0.214 0.000 1.348 199 Y HN 0.194 nan 8.280 nan 0.000 0.646 200 L N 1.105 122.633 121.223 0.507 0.000 2.567 200 L HA 0.176 4.515 4.340 -0.000 0.000 0.225 200 L C 0.488 177.640 176.870 0.471 0.000 1.119 200 L CA 0.747 55.838 54.840 0.418 0.000 0.871 200 L CB -0.020 42.235 42.059 0.327 0.000 1.036 200 L HN 0.812 nan 8.230 nan 0.000 0.459 201 S N -1.071 114.979 115.700 0.584 0.000 2.563 201 S HA 0.339 4.809 4.470 -0.000 0.000 0.279 201 S C -2.525 171.949 174.600 -0.210 0.000 1.155 201 S CA -0.883 57.398 58.200 0.135 0.000 0.928 201 S CB 1.745 64.902 63.200 -0.072 0.000 1.107 201 S HN -0.237 nan 8.310 nan 0.000 0.462 202 P HA 0.041 nan 4.420 nan 0.000 0.249 202 P C -0.061 176.816 177.300 -0.704 0.000 1.227 202 P CA 0.688 63.359 63.100 -0.715 0.000 0.753 202 P CB -0.386 31.041 31.700 -0.454 0.000 0.966 203 Y N -2.706 117.295 120.300 -0.499 0.000 2.503 203 Y HA 0.140 4.690 4.550 -0.000 0.000 0.277 203 Y C 1.790 177.441 175.900 -0.416 0.000 1.102 203 Y CA 0.276 58.102 58.100 -0.457 0.000 1.261 203 Y CB -0.833 37.329 38.460 -0.495 0.000 1.096 203 Y HN -0.099 nan 8.280 nan 0.000 0.546 204 F N 0.232 120.160 119.950 -0.037 0.000 2.451 204 F HA -0.052 4.475 4.527 -0.000 0.000 0.299 204 F C 0.903 176.658 175.800 -0.074 0.000 1.101 204 F CA -0.036 57.943 58.000 -0.034 0.000 1.436 204 F CB -1.061 37.932 39.000 -0.013 0.000 1.074 204 F HN -0.180 nan 8.300 nan 0.000 0.553 205 I N 2.948 123.495 120.570 -0.037 0.000 2.943 205 I HA -0.210 3.960 4.170 -0.000 0.000 0.296 205 I C 0.897 177.012 176.117 -0.003 0.000 1.220 205 I CA 0.353 61.618 61.300 -0.060 0.000 1.409 205 I CB 0.089 37.990 38.000 -0.164 0.000 1.374 205 I HN 0.256 nan 8.210 nan 0.000 0.545 206 N N 5.534 124.248 118.700 0.023 0.000 2.322 206 N HA 0.010 4.750 4.740 -0.000 0.000 0.181 206 N C -0.023 175.493 175.510 0.010 0.000 1.088 206 N CA 0.207 53.270 53.050 0.021 0.000 0.885 206 N CB 0.299 38.805 38.487 0.033 0.000 1.013 206 N HN 0.435 nan 8.380 nan 0.000 0.472 207 K N 1.329 121.736 120.400 0.011 0.000 2.499 207 K HA 0.273 4.593 4.320 -0.000 0.000 0.215 207 K C -2.050 174.553 176.600 0.005 0.000 1.041 207 K CA -1.811 54.481 56.287 0.008 0.000 1.031 207 K CB 1.931 34.440 32.500 0.014 0.000 1.479 207 K HN 0.032 nan 8.250 nan 0.000 0.518 208 P HA -0.162 nan 4.420 nan 0.000 0.226 208 P C 0.370 177.670 177.300 -0.001 0.000 1.146 208 P CA 1.047 64.141 63.100 -0.010 0.000 0.773 208 P CB 0.509 32.199 31.700 -0.017 0.000 0.772 209 E N 0.035 120.237 120.200 0.004 0.000 2.031 209 E HA -0.104 4.245 4.350 -0.000 0.000 0.193 209 E C 1.812 178.420 176.600 0.014 0.000 0.994 209 E CA 1.884 58.288 56.400 0.007 0.000 0.800 209 E CB -1.195 28.509 29.700 0.007 0.000 0.752 209 E HN 0.242 nan 8.360 nan 0.000 0.447 210 T N -0.980 113.588 114.554 0.023 0.000 3.113 210 T HA 0.190 4.540 4.350 -0.000 0.000 0.256 210 T C 1.114 175.842 174.700 0.046 0.000 1.131 210 T CA 0.482 62.605 62.100 0.038 0.000 1.074 210 T CB 0.094 68.989 68.868 0.045 0.000 0.944 210 T HN 0.375 nan 8.240 nan 0.000 0.516 211 G N 1.529 110.350 108.800 0.035 0.000 2.323 211 G HA2 0.028 3.988 3.960 -0.000 0.000 0.292 211 G HA3 0.028 3.988 3.960 -0.000 0.000 0.292 211 G C 0.066 175.022 174.900 0.094 0.000 1.040 211 G CA 0.097 45.222 45.100 0.042 0.000 0.942 211 G HN 0.955 nan 8.290 nan 0.000 0.506 212 A N -1.580 121.286 122.820 0.077 0.000 2.530 212 A HA 0.932 5.251 4.320 -0.000 0.000 0.288 212 A C -0.420 177.212 177.584 0.080 0.000 1.172 212 A CA -0.291 51.817 52.037 0.119 0.000 0.733 212 A CB 1.937 20.995 19.000 0.096 0.000 1.320 212 A HN 1.223 nan 8.150 nan 0.000 0.419 213 V N 0.842 120.819 119.914 0.106 0.000 2.459 213 V HA 0.549 4.669 4.120 -0.000 0.000 0.295 213 V C -0.191 175.934 176.094 0.051 0.000 1.029 213 V CA -0.320 62.028 62.300 0.080 0.000 0.874 213 V CB 1.375 33.264 31.823 0.110 0.000 0.985 213 V HN 0.890 nan 8.190 nan 0.000 0.438 214 E N 4.529 124.751 120.200 0.036 0.000 2.216 214 E HA 0.624 4.974 4.350 -0.000 0.000 0.260 214 E C -1.700 174.909 176.600 0.015 0.000 0.880 214 E CA -0.515 55.897 56.400 0.020 0.000 0.765 214 E CB 1.484 31.193 29.700 0.015 0.000 1.174 214 E HN 0.605 nan 8.360 nan 0.000 0.417 215 L N 3.207 124.433 121.223 0.006 0.000 2.342 215 L HA 0.532 4.871 4.340 -0.000 0.000 0.271 215 L C -0.223 176.639 176.870 -0.012 0.000 1.008 215 L CA -0.879 53.962 54.840 0.002 0.000 0.818 215 L CB 1.941 44.003 42.059 0.004 0.000 1.296 215 L HN 0.453 nan 8.230 nan 0.000 0.427 216 E N 1.158 121.347 120.200 -0.018 0.000 2.176 216 E HA 0.245 4.595 4.350 -0.000 0.000 0.267 216 E C -0.360 176.202 176.600 -0.062 0.000 0.893 216 E CA -0.507 55.873 56.400 -0.034 0.000 0.761 216 E CB 1.807 31.492 29.700 -0.024 0.000 1.133 216 E HN 0.623 nan 8.360 nan 0.000 0.409 217 S N 1.681 117.328 115.700 -0.089 0.000 3.581 217 S HA -0.117 4.353 4.470 -0.000 0.000 0.354 217 S C -2.258 172.189 174.600 -0.255 0.000 1.059 217 S CA 0.275 58.382 58.200 -0.156 0.000 1.060 217 S CB -1.041 62.071 63.200 -0.147 0.000 0.908 217 S HN 0.428 nan 8.310 nan 0.000 0.475 218 P HA 0.499 nan 4.420 nan 0.000 0.279 218 P C -0.016 177.147 177.300 -0.227 0.000 1.252 218 P CA -0.596 62.407 63.100 -0.162 0.000 0.811 218 P CB 0.429 32.108 31.700 -0.035 0.000 1.035 219 F N 0.626 120.578 119.950 0.003 0.000 2.371 219 F HA 0.391 4.918 4.527 -0.000 0.000 0.329 219 F C 0.955 176.757 175.800 0.003 0.000 1.107 219 F CA -0.216 57.786 58.000 0.003 0.000 1.137 219 F CB 0.413 39.415 39.000 0.002 0.000 1.214 219 F HN 0.042 nan 8.300 nan 0.000 0.536 220 I N 3.489 124.176 120.570 0.195 0.000 2.389 220 I HA 0.249 4.418 4.170 -0.000 0.000 0.288 220 I C -1.058 175.114 176.117 0.093 0.000 0.999 220 I CA -0.801 60.566 61.300 0.112 0.000 1.129 220 I CB 1.689 39.735 38.000 0.078 0.000 1.288 220 I HN 0.328 nan 8.210 nan 0.000 0.444 221 L N 8.252 129.514 121.223 0.065 0.000 2.265 221 L HA 0.473 4.813 4.340 -0.000 0.000 0.288 221 L C -1.013 175.873 176.870 0.027 0.000 1.058 221 L CA 0.147 55.010 54.840 0.038 0.000 0.809 221 L CB 0.564 42.638 42.059 0.025 0.000 1.179 221 L HN 0.474 nan 8.230 nan 0.000 0.429 222 L N 6.618 127.852 121.223 0.018 0.000 2.313 222 L HA 0.693 5.033 4.340 -0.000 0.000 0.273 222 L C -0.237 176.633 176.870 -0.001 0.000 1.028 222 L CA -0.368 54.475 54.840 0.005 0.000 0.871 222 L CB 1.090 43.148 42.059 -0.002 0.000 1.242 222 L HN 0.805 nan 8.230 nan 0.000 0.434 223 A N 1.620 124.440 122.820 0.001 0.000 2.319 223 A HA 0.457 4.777 4.320 -0.000 0.000 0.310 223 A C -0.794 176.790 177.584 0.000 0.000 1.152 223 A CA -0.517 51.521 52.037 0.001 0.000 0.783 223 A CB 1.118 20.122 19.000 0.007 0.000 1.184 223 A HN 0.612 nan 8.150 nan 0.000 0.474 224 D N 2.327 122.726 120.400 -0.002 0.000 2.524 224 D HA 0.456 5.096 4.640 -0.000 0.000 0.222 224 D C -0.171 176.133 176.300 0.006 0.000 1.142 224 D CA 0.184 54.183 54.000 -0.001 0.000 0.973 224 D CB -0.367 40.428 40.800 -0.008 0.000 1.025 224 D HN 0.646 nan 8.370 nan 0.000 0.519 225 K N 0.057 120.464 120.400 0.012 0.000 2.870 225 K HA 0.239 4.559 4.320 -0.000 0.000 0.290 225 K C -1.323 175.290 176.600 0.022 0.000 1.070 225 K CA -1.143 55.154 56.287 0.016 0.000 0.843 225 K CB 0.547 33.055 32.500 0.013 0.000 1.475 225 K HN -0.130 nan 8.250 nan 0.000 0.359 226 K N 1.473 121.887 120.400 0.025 0.000 2.322 226 K HA 0.312 4.632 4.320 -0.000 0.000 0.283 226 K C -0.510 176.106 176.600 0.028 0.000 1.042 226 K CA -0.228 56.077 56.287 0.029 0.000 0.958 226 K CB 0.517 33.035 32.500 0.030 0.000 0.984 226 K HN 0.361 nan 8.250 nan 0.000 0.473 227 I N 2.691 123.280 120.570 0.032 0.000 2.330 227 I HA 0.045 4.215 4.170 -0.000 0.000 0.286 227 I C 0.504 176.642 176.117 0.036 0.000 1.025 227 I CA 0.032 61.350 61.300 0.031 0.000 1.197 227 I CB 1.554 39.573 38.000 0.032 0.000 1.358 227 I HN 0.672 nan 8.210 nan 0.000 0.467 228 S N 3.509 119.227 115.700 0.030 0.000 2.748 228 S HA 0.184 4.654 4.470 -0.000 0.000 0.241 228 S C 0.741 175.358 174.600 0.028 0.000 1.064 228 S CA -0.108 58.111 58.200 0.031 0.000 0.892 228 S CB 0.250 63.465 63.200 0.026 0.000 0.810 228 S HN 0.588 nan 8.310 nan 0.000 0.555 229 N N 2.007 120.721 118.700 0.022 0.000 2.514 229 N HA 0.216 4.955 4.740 -0.000 0.000 0.277 229 N C 0.356 175.877 175.510 0.020 0.000 1.126 229 N CA -0.044 53.017 53.050 0.019 0.000 0.978 229 N CB 1.349 39.845 38.487 0.014 0.000 1.106 229 N HN 0.145 nan 8.380 nan 0.000 0.461 230 I N 2.257 122.838 120.570 0.019 0.000 2.876 230 I HA -0.080 4.090 4.170 -0.000 0.000 0.264 230 I C 1.828 177.952 176.117 0.012 0.000 1.204 230 I CA 0.501 61.812 61.300 0.019 0.000 1.485 230 I CB 0.129 38.141 38.000 0.020 0.000 1.103 230 I HN 0.444 nan 8.210 nan 0.000 0.446 231 R N 0.925 121.430 120.500 0.009 0.000 2.154 231 R HA -0.226 4.114 4.340 -0.000 0.000 0.248 231 R C 1.787 178.089 176.300 0.004 0.000 1.155 231 R CA 1.970 58.073 56.100 0.005 0.000 0.979 231 R CB -0.212 30.090 30.300 0.005 0.000 0.869 231 R HN 0.551 nan 8.270 nan 0.000 0.452 232 E N -0.379 119.824 120.200 0.006 0.000 2.274 232 E HA -0.093 4.257 4.350 -0.000 0.000 0.194 232 E C 1.778 178.379 176.600 0.001 0.000 0.996 232 E CA 0.650 57.052 56.400 0.004 0.000 0.840 232 E CB 0.075 29.779 29.700 0.006 0.000 0.772 232 E HN 0.231 nan 8.360 nan 0.000 0.491 233 M N 0.375 119.977 119.600 0.004 0.000 2.287 233 M HA 0.024 4.503 4.480 -0.000 0.000 0.266 233 M C 2.307 178.604 176.300 -0.004 0.000 1.079 233 M CA 0.921 56.222 55.300 0.002 0.000 1.146 233 M CB -0.695 31.912 32.600 0.011 0.000 1.374 233 M HN 0.140 nan 8.290 nan 0.000 0.435 234 L N 0.734 121.956 121.223 -0.002 0.000 2.054 234 L HA -0.257 4.083 4.340 -0.000 0.000 0.220 234 L C -0.295 176.567 176.870 -0.014 0.000 1.081 234 L CA 1.889 56.726 54.840 -0.006 0.000 0.780 234 L CB -2.548 39.509 42.059 -0.003 0.000 0.893 234 L HN 0.199 nan 8.230 nan 0.000 0.438 235 P HA -0.126 nan 4.420 nan 0.000 0.215 235 P C 1.782 179.059 177.300 -0.038 0.000 1.153 235 P CA 1.541 64.626 63.100 -0.025 0.000 0.853 235 P CB 0.040 31.727 31.700 -0.022 0.000 0.788 236 V N 0.161 120.051 119.914 -0.040 0.000 2.379 236 V HA -0.116 4.003 4.120 -0.000 0.000 0.243 236 V C 2.824 178.880 176.094 -0.063 0.000 1.035 236 V CA 1.050 63.314 62.300 -0.061 0.000 1.035 236 V CB -1.345 30.447 31.823 -0.052 0.000 0.673 236 V HN -0.032 nan 8.190 nan 0.000 0.457 237 L N -0.083 121.119 121.223 -0.035 0.000 2.261 237 L HA -0.212 4.128 4.340 -0.000 0.000 0.216 237 L C 2.425 179.281 176.870 -0.024 0.000 1.114 237 L CA 1.633 56.460 54.840 -0.021 0.000 0.777 237 L CB -0.255 41.803 42.059 -0.002 0.000 0.910 237 L HN 0.477 nan 8.230 nan 0.000 0.440 238 E N -1.204 118.977 120.200 -0.032 0.000 2.340 238 E HA 0.031 4.381 4.350 -0.000 0.000 0.198 238 E C 2.181 178.754 176.600 -0.045 0.000 0.961 238 E CA 0.577 56.960 56.400 -0.028 0.000 0.905 238 E CB 0.091 29.778 29.700 -0.021 0.000 0.884 238 E HN 0.413 nan 8.360 nan 0.000 0.491 239 A N 0.920 123.698 122.820 -0.069 0.000 2.019 239 A HA -0.108 4.211 4.320 -0.000 0.000 0.219 239 A C 2.308 179.805 177.584 -0.145 0.000 1.164 239 A CA 0.969 52.945 52.037 -0.102 0.000 0.644 239 A CB -0.300 18.626 19.000 -0.123 0.000 0.805 239 A HN 0.106 nan 8.150 nan 0.000 0.449 240 V N -0.670 119.158 119.914 -0.143 0.000 2.379 240 V HA -0.083 4.037 4.120 -0.000 0.000 0.243 240 V C 2.947 179.034 176.094 -0.011 0.000 1.035 240 V CA 1.476 63.694 62.300 -0.137 0.000 1.035 240 V CB -0.821 30.944 31.823 -0.098 0.000 0.673 240 V HN 0.561 nan 8.190 nan 0.000 0.457 241 A N -0.813 122.005 122.820 -0.002 0.000 2.131 241 A HA -0.229 4.090 4.320 -0.000 0.000 0.220 241 A C 2.269 179.865 177.584 0.019 0.000 1.158 241 A CA 1.785 53.833 52.037 0.019 0.000 0.665 241 A CB -0.368 18.639 19.000 0.012 0.000 0.795 241 A HN 0.488 nan 8.150 nan 0.000 0.460 242 K N -0.730 119.672 120.400 0.002 0.000 2.044 242 K HA 0.100 4.420 4.320 -0.000 0.000 0.204 242 K C 1.988 178.606 176.600 0.029 0.000 1.045 242 K CA 0.840 57.130 56.287 0.006 0.000 0.951 242 K CB -0.186 32.306 32.500 -0.014 0.000 0.738 242 K HN 0.380 nan 8.250 nan 0.000 0.443 243 A N 0.619 123.464 122.820 0.040 0.000 2.248 243 A HA 0.044 4.364 4.320 -0.000 0.000 0.210 243 A C 1.204 178.878 177.584 0.150 0.000 1.174 243 A CA 1.109 53.216 52.037 0.117 0.000 0.750 243 A CB -0.857 18.261 19.000 0.196 0.000 0.780 243 A HN 0.535 nan 8.150 nan 0.000 0.478 244 G N -0.831 108.031 108.800 0.105 0.000 2.203 244 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.263 244 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.263 244 G C 0.186 175.146 174.900 0.101 0.000 1.012 244 G CA 1.064 46.215 45.100 0.085 0.000 0.749 244 G HN 0.646 nan 8.290 nan 0.000 0.512 245 K N 0.377 120.879 120.400 0.170 0.000 2.221 245 K HA 0.582 4.902 4.320 -0.000 0.000 0.243 245 K C -2.144 174.554 176.600 0.163 0.000 0.968 245 K CA -2.020 54.358 56.287 0.152 0.000 0.846 245 K CB 2.272 34.861 32.500 0.148 0.000 1.141 245 K HN 0.032 nan 8.250 nan 0.000 0.434 246 P HA 0.202 nan 4.420 nan 0.000 0.275 246 P C -1.257 176.132 177.300 0.149 0.000 1.266 246 P CA -0.516 62.642 63.100 0.098 0.000 0.793 246 P CB 0.582 32.313 31.700 0.052 0.000 1.074 247 L N 0.033 121.321 121.223 0.109 0.000 2.493 247 L HA 0.556 4.896 4.340 -0.000 0.000 0.265 247 L C -1.764 175.134 176.870 0.047 0.000 0.954 247 L CA -0.894 54.017 54.840 0.119 0.000 0.844 247 L CB 1.691 43.822 42.059 0.119 0.000 1.302 247 L HN 0.197 nan 8.230 nan 0.000 0.405 248 L N 5.490 126.741 121.223 0.047 0.000 2.307 248 L HA 0.687 5.027 4.340 -0.000 0.000 0.284 248 L C -1.123 175.754 176.870 0.012 0.000 1.023 248 L CA -0.278 54.566 54.840 0.006 0.000 0.810 248 L CB 1.284 43.356 42.059 0.021 0.000 1.231 248 L HN 0.522 nan 8.230 nan 0.000 0.423 249 I N 7.020 127.575 120.570 -0.025 0.000 2.307 249 I HA 0.301 4.471 4.170 -0.000 0.000 0.289 249 I C -0.271 175.855 176.117 0.015 0.000 1.021 249 I CA -0.211 61.085 61.300 -0.006 0.000 1.224 249 I CB 0.807 38.794 38.000 -0.022 0.000 1.376 249 I HN 0.553 nan 8.210 nan 0.000 0.470 250 I N 5.909 126.501 120.570 0.036 0.000 2.371 250 I HA 0.609 4.779 4.170 -0.000 0.000 0.282 250 I C 0.333 176.465 176.117 0.025 0.000 1.031 250 I CA -0.229 61.100 61.300 0.049 0.000 1.180 250 I CB 1.295 39.329 38.000 0.058 0.000 1.336 250 I HN 0.656 nan 8.210 nan 0.000 0.467 251 A N 4.531 127.369 122.820 0.030 0.000 2.486 251 A HA 0.456 4.776 4.320 -0.000 0.000 0.289 251 A C 0.803 178.405 177.584 0.030 0.000 1.176 251 A CA -0.542 51.509 52.037 0.023 0.000 0.757 251 A CB 1.446 20.461 19.000 0.025 0.000 1.337 251 A HN 0.701 nan 8.150 nan 0.000 0.423 252 E N -0.743 119.473 120.200 0.028 0.000 2.110 252 E HA -0.132 4.217 4.350 -0.000 0.000 0.193 252 E C -0.349 176.279 176.600 0.047 0.000 0.988 252 E CA 1.567 57.989 56.400 0.036 0.000 0.804 252 E CB 0.160 29.880 29.700 0.033 0.000 0.745 252 E HN 0.587 nan 8.360 nan 0.000 0.458 253 D N -2.254 118.174 120.400 0.046 0.000 2.710 253 D HA 0.216 4.856 4.640 -0.000 0.000 0.276 253 D C -1.911 174.421 176.300 0.054 0.000 1.267 253 D CA -0.507 53.526 54.000 0.054 0.000 0.772 253 D CB 1.993 42.825 40.800 0.053 0.000 1.299 253 D HN -0.156 nan 8.370 nan 0.000 0.421 254 V N 1.651 121.606 119.914 0.067 0.000 2.569 254 V HA 0.475 4.594 4.120 -0.000 0.000 0.301 254 V C -0.451 175.693 176.094 0.083 0.000 1.044 254 V CA -0.631 61.713 62.300 0.073 0.000 0.874 254 V CB 1.782 33.653 31.823 0.081 0.000 1.002 254 V HN 0.416 nan 8.190 nan 0.000 0.424 255 E N 2.232 122.473 120.200 0.068 0.000 2.227 255 E HA 0.602 4.952 4.350 -0.000 0.000 0.268 255 E C 1.058 177.694 176.600 0.059 0.000 0.907 255 E CA 0.051 56.489 56.400 0.062 0.000 0.786 255 E CB 2.214 31.942 29.700 0.048 0.000 1.191 255 E HN 0.820 nan 8.360 nan 0.000 0.411 256 G N 2.816 111.650 108.800 0.057 0.000 2.812 256 G HA2 -0.481 3.479 3.960 -0.000 0.000 0.366 256 G HA3 -0.481 3.479 3.960 -0.000 0.000 0.366 256 G C 1.229 176.155 174.900 0.043 0.000 1.183 256 G CA 1.241 46.369 45.100 0.046 0.000 1.076 256 G HN 0.663 nan 8.290 nan 0.000 0.750 257 E N 1.174 121.395 120.200 0.036 0.000 2.007 257 E HA -0.158 4.192 4.350 -0.000 0.000 0.203 257 E C 3.121 179.745 176.600 0.039 0.000 1.020 257 E CA 2.100 58.519 56.400 0.030 0.000 0.845 257 E CB -0.804 28.910 29.700 0.025 0.000 0.779 257 E HN 0.726 nan 8.360 nan 0.000 0.466 258 A N 1.240 124.087 122.820 0.045 0.000 1.917 258 A HA -0.219 4.100 4.320 -0.000 0.000 0.219 258 A C 2.311 179.943 177.584 0.081 0.000 1.182 258 A CA 1.833 53.903 52.037 0.054 0.000 0.633 258 A CB -0.853 18.177 19.000 0.051 0.000 0.819 258 A HN 0.356 nan 8.150 nan 0.000 0.448 259 L N -0.194 121.088 121.223 0.098 0.000 1.955 259 L HA -0.108 4.232 4.340 -0.000 0.000 0.213 259 L C 2.698 179.638 176.870 0.115 0.000 1.072 259 L CA 2.583 57.512 54.840 0.149 0.000 0.755 259 L CB -0.854 41.295 42.059 0.150 0.000 0.888 259 L HN 0.335 nan 8.230 nan 0.000 0.432 260 A N -1.781 121.076 122.820 0.062 0.000 2.076 260 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 260 A C 2.153 179.737 177.584 -0.000 0.000 1.160 260 A CA 2.222 54.267 52.037 0.012 0.000 0.653 260 A CB -1.183 17.818 19.000 0.003 0.000 0.801 260 A HN 0.632 nan 8.150 nan 0.000 0.455 261 T N 0.358 114.929 114.554 0.029 0.000 2.732 261 T HA -0.036 4.314 4.350 -0.000 0.000 0.261 261 T C 1.828 176.553 174.700 0.042 0.000 1.040 261 T CA 1.358 63.473 62.100 0.024 0.000 1.145 261 T CB -0.410 68.477 68.868 0.031 0.000 0.866 261 T HN 0.380 nan 8.240 nan 0.000 0.427 262 L N 0.983 122.264 121.223 0.096 0.000 2.042 262 L HA -0.106 4.234 4.340 -0.000 0.000 0.210 262 L C 2.730 179.692 176.870 0.153 0.000 1.076 262 L CA 0.856 55.790 54.840 0.158 0.000 0.749 262 L CB -0.932 41.279 42.059 0.253 0.000 0.893 262 L HN 0.116 nan 8.230 nan 0.000 0.432 263 V N -0.475 119.483 119.914 0.073 0.000 2.282 263 V HA -0.277 3.842 4.120 -0.000 0.000 0.249 263 V C 2.373 178.368 176.094 -0.165 0.000 1.057 263 V CA 1.838 64.046 62.300 -0.153 0.000 1.032 263 V CB -0.365 31.305 31.823 -0.255 0.000 0.645 263 V HN 0.237 nan 8.190 nan 0.000 0.447 264 V N 0.151 119.990 119.914 -0.125 0.000 2.759 264 V HA -0.197 3.923 4.120 -0.000 0.000 0.256 264 V C 1.932 177.988 176.094 -0.064 0.000 1.080 264 V CA 1.893 64.121 62.300 -0.121 0.000 1.101 264 V CB -0.966 30.798 31.823 -0.097 0.000 0.698 264 V HN 0.620 nan 8.190 nan 0.000 0.477 265 N N 0.016 118.705 118.700 -0.018 0.000 2.415 265 N HA -0.086 4.654 4.740 -0.000 0.000 0.176 265 N C 1.865 177.390 175.510 0.025 0.000 1.042 265 N CA 1.319 54.374 53.050 0.009 0.000 0.902 265 N CB 0.203 38.709 38.487 0.031 0.000 0.986 265 N HN 0.628 nan 8.380 nan 0.000 0.447 266 T N -1.926 112.653 114.554 0.042 0.000 3.060 266 T HA 0.124 4.474 4.350 -0.000 0.000 0.249 266 T C 1.652 176.358 174.700 0.010 0.000 1.079 266 T CA 0.004 62.140 62.100 0.060 0.000 1.013 266 T CB 0.173 69.134 68.868 0.155 0.000 0.975 266 T HN -0.091 nan 8.240 nan 0.000 0.518 267 M N 1.528 121.103 119.600 -0.041 0.000 2.193 267 M HA 0.307 4.787 4.480 -0.000 0.000 0.265 267 M C 2.039 178.310 176.300 -0.048 0.000 1.071 267 M CA 1.318 56.575 55.300 -0.072 0.000 1.140 267 M CB -0.110 32.404 32.600 -0.143 0.000 1.369 267 M HN 0.076 nan 8.290 nan 0.000 0.423 268 R N -0.288 120.189 120.500 -0.040 0.000 2.335 268 R HA 0.271 4.610 4.340 -0.000 0.000 0.223 268 R C 0.784 177.077 176.300 -0.012 0.000 0.940 268 R CA 0.505 56.588 56.100 -0.028 0.000 1.086 268 R CB -0.534 29.750 30.300 -0.028 0.000 1.073 268 R HN 0.579 nan 8.270 nan 0.000 0.504 269 G N 1.775 110.573 108.800 -0.004 0.000 2.361 269 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.294 269 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.294 269 G C 0.760 175.668 174.900 0.012 0.000 1.004 269 G CA 0.389 45.495 45.100 0.009 0.000 0.870 269 G HN 0.391 nan 8.290 nan 0.000 0.510 270 I N -1.449 119.128 120.570 0.012 0.000 2.202 270 I HA -0.037 4.133 4.170 -0.000 0.000 0.242 270 I C 0.874 177.005 176.117 0.023 0.000 1.091 270 I CA 1.315 62.623 61.300 0.013 0.000 1.368 270 I CB -0.054 37.951 38.000 0.009 0.000 1.058 270 I HN 0.115 nan 8.210 nan 0.000 0.410 271 V N 1.016 120.950 119.914 0.033 0.000 2.567 271 V HA 0.201 4.321 4.120 -0.000 0.000 0.298 271 V C -0.610 175.520 176.094 0.060 0.000 1.047 271 V CA -1.110 61.216 62.300 0.044 0.000 0.880 271 V CB 1.632 33.480 31.823 0.042 0.000 1.009 271 V HN 0.070 nan 8.190 nan 0.000 0.429 272 K N 3.125 123.562 120.400 0.061 0.000 2.395 272 K HA 0.463 4.783 4.320 -0.000 0.000 0.283 272 K C -0.572 176.075 176.600 0.078 0.000 1.068 272 K CA 0.395 56.726 56.287 0.074 0.000 1.039 272 K CB 0.568 33.104 32.500 0.060 0.000 0.924 272 K HN 0.496 nan 8.250 nan 0.000 0.468 273 V N 1.553 121.528 119.914 0.102 0.000 2.971 273 V HA 0.832 4.951 4.120 -0.000 0.000 0.309 273 V C -0.974 175.105 176.094 -0.025 0.000 1.130 273 V CA -0.998 61.334 62.300 0.053 0.000 0.964 273 V CB 2.144 34.006 31.823 0.065 0.000 1.029 273 V HN 0.789 nan 8.190 nan 0.000 0.427 274 A N 2.218 124.879 122.820 -0.265 0.000 2.572 274 A HA 1.044 5.364 4.320 -0.000 0.000 0.295 274 A C -0.895 176.335 177.584 -0.590 0.000 1.072 274 A CA -0.123 51.436 52.037 -0.798 0.000 0.691 274 A CB 2.044 20.771 19.000 -0.454 0.000 1.291 274 A HN 1.856 nan 8.150 nan 0.000 0.404 275 A N 0.216 122.582 122.820 -0.757 0.000 2.475 275 A HA 0.868 5.187 4.320 -0.000 0.000 0.301 275 A C -0.722 176.788 177.584 -0.124 0.000 1.059 275 A CA -0.117 51.750 52.037 -0.284 0.000 0.710 275 A CB 1.510 20.409 19.000 -0.167 0.000 1.288 275 A HN 2.269 nan 8.150 nan 0.000 0.408 276 V N -0.949 118.961 119.914 -0.008 0.000 2.888 276 V HA 0.551 4.670 4.120 -0.000 0.000 0.309 276 V C -0.469 175.690 176.094 0.107 0.000 1.114 276 V CA -1.303 61.035 62.300 0.064 0.000 0.940 276 V CB 1.486 33.358 31.823 0.081 0.000 1.021 276 V HN 0.858 nan 8.190 nan 0.000 0.426 277 K N 2.397 122.864 120.400 0.112 0.000 2.489 277 K HA 0.461 4.781 4.320 -0.000 0.000 0.278 277 K C 0.686 177.373 176.600 0.146 0.000 1.000 277 K CA 0.537 56.890 56.287 0.110 0.000 1.012 277 K CB 0.934 33.493 32.500 0.098 0.000 0.903 277 K HN 1.111 nan 8.250 nan 0.000 0.485 278 A N 5.421 128.288 122.820 0.078 0.000 2.466 278 A HA 0.177 4.497 4.320 -0.000 0.000 0.238 278 A C -1.979 175.609 177.584 0.006 0.000 1.074 278 A CA -0.952 51.084 52.037 -0.002 0.000 0.774 278 A CB -0.351 18.622 19.000 -0.045 0.000 1.015 278 A HN 0.470 nan 8.150 nan 0.000 0.498 279 P HA 0.436 nan 4.420 nan 0.000 0.276 279 P C 0.706 178.014 177.300 0.013 0.000 1.244 279 P CA 1.260 64.348 63.100 -0.020 0.000 0.801 279 P CB 0.625 32.191 31.700 -0.223 0.000 1.006 280 G N 1.297 110.154 108.800 0.095 0.000 2.641 280 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.254 280 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.254 280 G C -0.801 174.236 174.900 0.227 0.000 1.315 280 G CA 0.196 45.378 45.100 0.137 0.000 0.907 280 G HN 0.772 nan 8.290 nan 0.000 0.572 281 F N -2.339 117.624 119.950 0.022 0.000 2.662 281 F HA 0.757 5.284 4.527 -0.000 0.000 0.312 281 F C 1.085 176.897 175.800 0.020 0.000 1.113 281 F CA 0.378 58.390 58.000 0.021 0.000 0.951 281 F CB 1.055 40.071 39.000 0.027 0.000 1.344 281 F HN 2.414 nan 8.300 nan 0.000 0.462 282 G N 1.594 110.432 108.800 0.063 0.000 2.602 282 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.310 282 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.310 282 G C 0.469 175.306 174.900 -0.104 0.000 1.183 282 G CA 0.840 45.913 45.100 -0.045 0.000 0.979 282 G HN 0.830 nan 8.290 nan 0.000 0.545 283 D N 1.238 121.540 120.400 -0.162 0.000 2.110 283 D HA -0.024 4.616 4.640 -0.000 0.000 0.202 283 D C 2.514 178.742 176.300 -0.120 0.000 0.975 283 D CA 1.497 55.431 54.000 -0.111 0.000 0.839 283 D CB -0.298 40.446 40.800 -0.093 0.000 0.996 283 D HN 0.673 nan 8.370 nan 0.000 0.464 284 R N 1.313 121.713 120.500 -0.166 0.000 2.341 284 R HA -0.021 4.319 4.340 -0.000 0.000 0.213 284 R C 2.042 178.268 176.300 -0.123 0.000 1.082 284 R CA 0.718 56.734 56.100 -0.141 0.000 1.017 284 R CB -0.385 29.824 30.300 -0.151 0.000 0.860 284 R HN 0.071 nan 8.270 nan 0.000 0.473 285 R N 1.811 122.240 120.500 -0.118 0.000 2.057 285 R HA -0.071 4.269 4.340 -0.000 0.000 0.229 285 R C 1.361 177.618 176.300 -0.072 0.000 1.136 285 R CA 1.653 57.707 56.100 -0.076 0.000 0.952 285 R CB -0.035 30.247 30.300 -0.030 0.000 0.848 285 R HN 0.246 nan 8.270 nan 0.000 0.430 286 K N -0.020 120.344 120.400 -0.061 0.000 2.148 286 K HA -0.036 4.284 4.320 -0.000 0.000 0.204 286 K C 1.967 178.533 176.600 -0.056 0.000 1.050 286 K CA 1.275 57.532 56.287 -0.050 0.000 0.942 286 K CB -0.023 32.454 32.500 -0.037 0.000 0.724 286 K HN 0.245 nan 8.250 nan 0.000 0.446 287 A N 0.679 123.461 122.820 -0.064 0.000 1.970 287 A HA -0.052 4.268 4.320 -0.000 0.000 0.216 287 A C 2.029 179.568 177.584 -0.075 0.000 1.170 287 A CA 1.043 53.042 52.037 -0.063 0.000 0.645 287 A CB -0.253 18.709 19.000 -0.062 0.000 0.816 287 A HN 0.151 nan 8.150 nan 0.000 0.447 288 M N -1.007 118.538 119.600 -0.092 0.000 2.288 288 M HA 0.041 4.521 4.480 -0.000 0.000 0.266 288 M C 2.133 178.347 176.300 -0.143 0.000 1.072 288 M CA 0.942 56.172 55.300 -0.117 0.000 1.132 288 M CB -0.232 32.287 32.600 -0.134 0.000 1.386 288 M HN 0.468 nan 8.290 nan 0.000 0.432 289 L N 0.102 121.248 121.223 -0.129 0.000 2.083 289 L HA -0.263 4.076 4.340 -0.000 0.000 0.209 289 L C 2.568 179.385 176.870 -0.089 0.000 1.083 289 L CA 1.355 56.121 54.840 -0.124 0.000 0.752 289 L CB -0.227 41.779 42.059 -0.089 0.000 0.899 289 L HN 0.286 nan 8.230 nan 0.000 0.433 290 Q N 0.307 120.065 119.800 -0.070 0.000 2.061 290 Q HA -0.250 4.090 4.340 -0.000 0.000 0.204 290 Q C 1.688 177.657 176.000 -0.052 0.000 0.984 290 Q CA 2.235 58.007 55.803 -0.052 0.000 0.846 290 Q CB -0.311 28.401 28.738 -0.043 0.000 0.902 290 Q HN 0.453 nan 8.270 nan 0.000 0.421 291 D N -0.075 120.287 120.400 -0.063 0.000 2.126 291 D HA -0.209 4.431 4.640 -0.000 0.000 0.190 291 D C 1.952 178.220 176.300 -0.053 0.000 1.001 291 D CA 1.713 55.679 54.000 -0.057 0.000 0.841 291 D CB -0.425 40.335 40.800 -0.067 0.000 0.949 291 D HN 0.377 nan 8.370 nan 0.000 0.446 292 I N 1.110 121.633 120.570 -0.079 0.000 2.151 292 I HA -0.324 3.846 4.170 -0.000 0.000 0.243 292 I C 2.528 178.628 176.117 -0.029 0.000 1.080 292 I CA 1.249 62.513 61.300 -0.061 0.000 1.339 292 I CB -0.425 37.508 38.000 -0.111 0.000 1.039 292 I HN -0.046 nan 8.210 nan 0.000 0.409 293 A N 1.019 123.819 122.820 -0.032 0.000 1.859 293 A HA -0.257 4.062 4.320 -0.000 0.000 0.217 293 A C 2.413 179.992 177.584 -0.008 0.000 1.198 293 A CA 2.903 54.931 52.037 -0.014 0.000 0.629 293 A CB -1.366 17.624 19.000 -0.017 0.000 0.830 293 A HN 0.444 nan 8.150 nan 0.000 0.446 294 T N 0.586 115.131 114.554 -0.015 0.000 2.653 294 T HA -0.204 4.146 4.350 -0.000 0.000 0.268 294 T C 1.818 176.514 174.700 -0.006 0.000 1.035 294 T CA 1.441 63.535 62.100 -0.011 0.000 1.154 294 T CB -0.473 68.386 68.868 -0.016 0.000 0.862 294 T HN 0.301 nan 8.240 nan 0.000 0.441 295 L N 1.611 122.830 121.223 -0.007 0.000 2.079 295 L HA -0.101 4.239 4.340 -0.000 0.000 0.210 295 L C 2.354 179.227 176.870 0.004 0.000 1.081 295 L CA 2.368 57.207 54.840 -0.001 0.000 0.752 295 L CB -1.123 40.938 42.059 0.003 0.000 0.896 295 L HN 0.530 nan 8.230 nan 0.000 0.433 296 T N -4.363 110.196 114.554 0.008 0.000 3.054 296 T HA 0.269 4.619 4.350 -0.000 0.000 0.255 296 T C 1.138 175.849 174.700 0.018 0.000 1.035 296 T CA 0.329 62.438 62.100 0.013 0.000 0.941 296 T CB 0.107 68.989 68.868 0.022 0.000 1.026 296 T HN 0.497 nan 8.240 nan 0.000 0.533 297 G N 0.562 109.370 108.800 0.014 0.000 2.314 297 G HA2 0.085 4.044 3.960 -0.000 0.000 0.292 297 G HA3 0.085 4.044 3.960 -0.000 0.000 0.292 297 G C 0.298 175.214 174.900 0.027 0.000 1.059 297 G CA -0.169 44.941 45.100 0.018 0.000 0.982 297 G HN 1.034 nan 8.290 nan 0.000 0.505 298 G N -1.432 107.381 108.800 0.023 0.000 2.932 298 G HA2 0.869 4.829 3.960 -0.000 0.000 0.283 298 G HA3 0.869 4.829 3.960 -0.000 0.000 0.283 298 G C -0.356 174.552 174.900 0.014 0.000 1.336 298 G CA 0.147 45.263 45.100 0.028 0.000 1.056 298 G HN 0.725 nan 8.290 nan 0.000 0.522 299 T N -0.102 114.459 114.554 0.012 0.000 2.841 299 T HA 0.469 4.819 4.350 -0.000 0.000 0.283 299 T C -0.219 174.481 174.700 -0.001 0.000 1.000 299 T CA -0.380 61.722 62.100 0.003 0.000 0.977 299 T CB 1.846 70.715 68.868 0.002 0.000 0.979 299 T HN 0.374 nan 8.240 nan 0.000 0.446 300 V N 3.880 123.789 119.914 -0.007 0.000 2.427 300 V HA 0.267 4.387 4.120 -0.000 0.000 0.268 300 V C 0.295 176.384 176.094 -0.008 0.000 1.046 300 V CA -0.570 61.724 62.300 -0.010 0.000 0.970 300 V CB -0.170 31.642 31.823 -0.018 0.000 1.001 300 V HN 0.762 nan 8.190 nan 0.000 0.476 301 I N 5.225 125.792 120.570 -0.006 0.000 2.294 301 I HA 0.242 4.412 4.170 -0.000 0.000 0.295 301 I C 0.457 176.571 176.117 -0.004 0.000 1.098 301 I CA 0.423 61.720 61.300 -0.005 0.000 1.277 301 I CB 0.312 38.310 38.000 -0.003 0.000 1.434 301 I HN 0.661 nan 8.210 nan 0.000 0.498 302 S N 3.716 119.413 115.700 -0.005 0.000 2.454 302 S HA 0.342 4.811 4.470 -0.000 0.000 0.306 302 S C 0.569 175.167 174.600 -0.002 0.000 1.100 302 S CA -0.926 57.272 58.200 -0.004 0.000 1.087 302 S CB 2.001 65.197 63.200 -0.007 0.000 1.019 302 S HN 0.583 nan 8.310 nan 0.000 0.480 303 E N 1.345 121.545 120.200 0.000 0.000 2.401 303 E HA -0.150 4.200 4.350 -0.000 0.000 0.199 303 E C 0.936 177.536 176.600 0.001 0.000 1.023 303 E CA 0.864 57.265 56.400 0.001 0.000 0.859 303 E CB -0.029 29.674 29.700 0.004 0.000 0.780 303 E HN 0.764 nan 8.360 nan 0.000 0.523 304 E N -0.000 120.199 120.200 -0.001 0.000 2.358 304 E HA -0.068 4.282 4.350 -0.000 0.000 0.195 304 E C 1.314 177.913 176.600 -0.002 0.000 1.010 304 E CA 0.590 56.990 56.400 -0.001 0.000 0.856 304 E CB 0.184 29.882 29.700 -0.002 0.000 0.795 304 E HN 0.323 nan 8.360 nan 0.000 0.504 305 I N -0.766 119.802 120.570 -0.003 0.000 4.082 305 I HA 0.267 4.437 4.170 -0.000 0.000 0.337 305 I C 1.010 177.126 176.117 -0.003 0.000 1.352 305 I CA 0.015 61.313 61.300 -0.003 0.000 1.097 305 I CB 0.898 38.896 38.000 -0.005 0.000 1.048 305 I HN 0.123 nan 8.210 nan 0.000 0.393 306 G N 1.744 110.543 108.800 -0.002 0.000 2.130 306 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 306 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 306 G C 0.096 174.994 174.900 -0.002 0.000 0.999 306 G CA -0.347 44.752 45.100 -0.002 0.000 0.686 306 G HN 0.280 nan 8.290 nan 0.000 0.515 307 M N 0.531 120.129 119.600 -0.003 0.000 2.233 307 M HA 0.588 5.068 4.480 -0.000 0.000 0.355 307 M C 0.324 176.623 176.300 -0.003 0.000 1.191 307 M CA -0.212 55.086 55.300 -0.003 0.000 1.101 307 M CB 1.169 33.766 32.600 -0.004 0.000 1.592 307 M HN 0.201 nan 8.290 nan 0.000 0.461 308 E N 1.669 121.867 120.200 -0.003 0.000 2.232 308 E HA 0.341 4.691 4.350 -0.000 0.000 0.265 308 E C 0.228 176.826 176.600 -0.005 0.000 1.001 308 E CA -0.648 55.751 56.400 -0.003 0.000 0.870 308 E CB 1.888 31.587 29.700 -0.003 0.000 1.175 308 E HN 0.677 nan 8.360 nan 0.000 0.407 309 L N 1.188 122.409 121.223 -0.003 0.000 2.395 309 L HA -0.095 4.244 4.340 -0.000 0.000 0.218 309 L C 1.563 178.427 176.870 -0.009 0.000 1.130 309 L CA 0.839 55.676 54.840 -0.005 0.000 0.826 309 L CB -0.110 41.948 42.059 -0.002 0.000 0.941 309 L HN 0.545 nan 8.230 nan 0.000 0.451 310 E N 0.358 120.553 120.200 -0.008 0.000 2.107 310 E HA -0.103 4.247 4.350 -0.000 0.000 0.191 310 E C 0.720 177.312 176.600 -0.014 0.000 0.982 310 E CA 0.843 57.237 56.400 -0.010 0.000 0.809 310 E CB 0.109 29.804 29.700 -0.007 0.000 0.756 310 E HN 0.216 nan 8.360 nan 0.000 0.459 311 K N 0.690 121.083 120.400 -0.012 0.000 2.758 311 K HA 0.446 4.766 4.320 -0.000 0.000 0.250 311 K C -0.998 175.593 176.600 -0.016 0.000 1.268 311 K CA -0.235 56.044 56.287 -0.013 0.000 1.228 311 K CB 0.866 33.360 32.500 -0.010 0.000 1.715 311 K HN -0.033 nan 8.250 nan 0.000 0.334 312 A N 1.291 124.097 122.820 -0.022 0.000 2.446 312 A HA 0.300 4.620 4.320 -0.000 0.000 0.282 312 A C 0.032 177.590 177.584 -0.042 0.000 1.102 312 A CA -0.771 51.249 52.037 -0.027 0.000 0.737 312 A CB 0.638 19.624 19.000 -0.024 0.000 1.212 312 A HN 0.355 nan 8.150 nan 0.000 0.434 313 T N 0.126 114.653 114.554 -0.044 0.000 2.824 313 T HA 0.505 4.855 4.350 -0.000 0.000 0.277 313 T C 1.412 176.057 174.700 -0.091 0.000 0.975 313 T CA -0.585 61.478 62.100 -0.062 0.000 0.966 313 T CB 0.361 69.201 68.868 -0.047 0.000 1.054 313 T HN 0.392 nan 8.240 nan 0.000 0.533 314 L N 0.233 121.375 121.223 -0.136 0.000 2.051 314 L HA -0.161 4.179 4.340 -0.000 0.000 0.214 314 L C 3.050 179.855 176.870 -0.108 0.000 1.076 314 L CA 2.204 56.910 54.840 -0.224 0.000 0.758 314 L CB -0.649 41.252 42.059 -0.263 0.000 0.890 314 L HN 0.920 nan 8.230 nan 0.000 0.433 315 E N 0.076 120.248 120.200 -0.046 0.000 2.204 315 E HA -0.250 4.099 4.350 -0.000 0.000 0.195 315 E C 1.363 177.971 176.600 0.013 0.000 0.990 315 E CA 1.350 57.752 56.400 0.003 0.000 0.821 315 E CB 0.041 29.742 29.700 0.001 0.000 0.750 315 E HN 0.527 nan 8.360 nan 0.000 0.477 316 D N 0.267 120.664 120.400 -0.004 0.000 2.183 316 D HA -0.063 4.576 4.640 -0.000 0.000 0.203 316 D C 0.508 176.822 176.300 0.022 0.000 0.969 316 D CA 0.317 54.320 54.000 0.004 0.000 0.842 316 D CB 0.038 40.833 40.800 -0.008 0.000 0.957 316 D HN 0.149 nan 8.370 nan 0.000 0.484 317 L N 0.842 122.083 121.223 0.030 0.000 2.467 317 L HA 0.256 4.596 4.340 -0.000 0.000 0.270 317 L C 1.407 178.353 176.870 0.126 0.000 1.205 317 L CA 0.199 55.084 54.840 0.075 0.000 0.828 317 L CB 0.707 42.815 42.059 0.082 0.000 1.101 317 L HN -0.138 nan 8.230 nan 0.000 0.479 318 G N 1.151 110.020 108.800 0.115 0.000 2.557 318 G HA2 0.521 4.481 3.960 -0.000 0.000 0.292 318 G HA3 0.521 4.481 3.960 -0.000 0.000 0.292 318 G C -1.045 173.924 174.900 0.115 0.000 1.237 318 G CA -0.224 44.932 45.100 0.094 0.000 0.978 318 G HN 0.544 nan 8.290 nan 0.000 0.498 319 Q N -1.777 118.049 119.800 0.044 0.000 2.438 319 Q HA 0.542 4.882 4.340 -0.000 0.000 0.272 319 Q C -1.164 174.807 176.000 -0.048 0.000 0.994 319 Q CA -0.689 55.093 55.803 -0.034 0.000 0.887 319 Q CB 2.192 30.881 28.738 -0.081 0.000 1.432 319 Q HN 0.955 nan 8.270 nan 0.000 0.392 320 A N 1.776 124.549 122.820 -0.079 0.000 2.552 320 A HA 0.534 4.853 4.320 -0.000 0.000 0.288 320 A C -0.647 176.889 177.584 -0.081 0.000 1.193 320 A CA -0.536 51.467 52.037 -0.057 0.000 0.713 320 A CB 1.562 20.547 19.000 -0.025 0.000 1.305 320 A HN 0.730 nan 8.150 nan 0.000 0.424 321 K N -0.860 119.506 120.400 -0.057 0.000 2.361 321 K HA 0.201 4.521 4.320 -0.000 0.000 0.196 321 K C 0.294 176.866 176.600 -0.048 0.000 1.039 321 K CA 0.749 57.001 56.287 -0.058 0.000 1.001 321 K CB 0.258 32.732 32.500 -0.043 0.000 0.795 321 K HN 0.506 nan 8.250 nan 0.000 0.495 322 R N -0.256 120.222 120.500 -0.037 0.000 2.664 322 R HA 0.184 4.524 4.340 -0.000 0.000 0.260 322 R C -1.908 174.381 176.300 -0.019 0.000 1.062 322 R CA -0.566 55.518 56.100 -0.028 0.000 0.902 322 R CB 1.971 32.257 30.300 -0.022 0.000 1.258 322 R HN -0.054 nan 8.270 nan 0.000 0.465 323 V N -0.441 119.464 119.914 -0.016 0.000 3.007 323 V HA 0.878 4.998 4.120 -0.000 0.000 0.311 323 V C -1.387 174.698 176.094 -0.015 0.000 1.120 323 V CA -0.670 61.622 62.300 -0.014 0.000 0.980 323 V CB 2.391 34.211 31.823 -0.006 0.000 1.033 323 V HN 0.408 nan 8.190 nan 0.000 0.429 324 V N 5.185 125.083 119.914 -0.027 0.000 2.567 324 V HA 0.534 4.653 4.120 -0.000 0.000 0.298 324 V C -0.331 175.742 176.094 -0.035 0.000 1.047 324 V CA -0.272 62.017 62.300 -0.019 0.000 0.880 324 V CB 1.466 33.277 31.823 -0.020 0.000 1.009 324 V HN 1.042 nan 8.190 nan 0.000 0.429 325 I N 1.256 121.828 120.570 0.003 0.000 2.433 325 I HA 0.710 4.880 4.170 -0.000 0.000 0.292 325 I C -0.480 175.686 176.117 0.082 0.000 1.001 325 I CA -0.418 60.883 61.300 0.001 0.000 1.119 325 I CB 2.031 40.035 38.000 0.007 0.000 1.289 325 I HN 0.393 nan 8.210 nan 0.000 0.438 326 N N 4.509 123.197 118.700 -0.019 0.000 2.538 326 N HA 0.205 4.945 4.740 -0.000 0.000 0.292 326 N C 0.773 176.110 175.510 -0.287 0.000 1.262 326 N CA -0.623 52.413 53.050 -0.023 0.000 0.976 326 N CB 1.118 39.565 38.487 -0.067 0.000 1.161 326 N HN 0.684 nan 8.380 nan 0.000 0.598 327 K N 0.097 120.325 120.400 -0.288 0.000 2.127 327 K HA -0.204 4.116 4.320 -0.000 0.000 0.208 327 K C -0.403 175.908 176.600 -0.482 0.000 1.047 327 K CA 2.264 58.217 56.287 -0.557 0.000 0.927 327 K CB 0.026 32.427 32.500 -0.165 0.000 0.716 327 K HN 0.606 nan 8.250 nan 0.000 0.450 328 D N -2.127 118.110 120.400 -0.271 0.000 2.563 328 D HA 0.095 4.735 4.640 -0.000 0.000 0.256 328 D C -0.671 175.535 176.300 -0.157 0.000 1.400 328 D CA -0.382 53.505 54.000 -0.187 0.000 0.800 328 D CB 0.817 41.551 40.800 -0.111 0.000 1.145 328 D HN -0.149 nan 8.370 nan 0.000 0.501 329 T N 0.075 114.517 114.554 -0.186 0.000 2.881 329 T HA 0.606 4.956 4.350 -0.000 0.000 0.290 329 T C -0.993 173.529 174.700 -0.297 0.000 1.000 329 T CA -0.321 61.652 62.100 -0.212 0.000 0.978 329 T CB 2.111 70.893 68.868 -0.142 0.000 0.997 329 T HN -0.141 nan 8.240 nan 0.000 0.443 330 T N 2.339 116.574 114.554 -0.533 0.000 2.807 330 T HA 0.662 5.012 4.350 -0.000 0.000 0.279 330 T C -0.423 173.956 174.700 -0.535 0.000 0.993 330 T CA -0.547 61.186 62.100 -0.611 0.000 0.970 330 T CB 1.507 69.746 68.868 -1.048 0.000 0.950 330 T HN 0.623 nan 8.240 nan 0.000 0.441 331 T N 3.374 117.775 114.554 -0.256 0.000 2.881 331 T HA 0.642 4.992 4.350 -0.000 0.000 0.291 331 T C -0.803 173.870 174.700 -0.045 0.000 0.990 331 T CA -0.664 61.360 62.100 -0.127 0.000 0.976 331 T CB 0.177 68.988 68.868 -0.095 0.000 0.970 331 T HN 0.468 nan 8.240 nan 0.000 0.438 332 I N 5.777 126.358 120.570 0.018 0.000 2.336 332 I HA 0.474 4.644 4.170 -0.000 0.000 0.292 332 I C -0.246 175.883 176.117 0.019 0.000 0.991 332 I CA -0.883 60.439 61.300 0.037 0.000 1.227 332 I CB 1.405 39.457 38.000 0.088 0.000 1.366 332 I HN 0.580 nan 8.210 nan 0.000 0.466 333 I N 5.809 126.381 120.570 0.003 0.000 2.378 333 I HA 0.259 4.429 4.170 -0.000 0.000 0.291 333 I C -0.583 175.529 176.117 -0.008 0.000 0.992 333 I CA -0.450 60.848 61.300 -0.004 0.000 1.154 333 I CB 1.390 39.383 38.000 -0.012 0.000 1.315 333 I HN 0.591 nan 8.210 nan 0.000 0.448 334 D N 4.907 125.303 120.400 -0.006 0.000 3.437 334 D HA -0.111 4.529 4.640 -0.000 0.000 0.243 334 D C -0.021 176.271 176.300 -0.013 0.000 1.104 334 D CA 0.875 54.868 54.000 -0.011 0.000 1.009 334 D CB -0.292 40.498 40.800 -0.017 0.000 0.937 334 D HN 0.812 nan 8.370 nan 0.000 0.417 335 G N 0.793 109.589 108.800 -0.006 0.000 2.395 335 G HA2 0.429 4.389 3.960 -0.000 0.000 0.283 335 G HA3 0.429 4.389 3.960 -0.000 0.000 0.283 335 G C 1.400 176.295 174.900 -0.009 0.000 1.178 335 G CA -0.338 44.759 45.100 -0.006 0.000 0.837 335 G HN 0.361 nan 8.290 nan 0.000 0.518 336 V N 2.307 122.214 119.914 -0.012 0.000 2.913 336 V HA -0.019 4.100 4.120 -0.000 0.000 0.260 336 V C 2.192 178.285 176.094 -0.002 0.000 1.098 336 V CA 1.050 63.344 62.300 -0.010 0.000 1.121 336 V CB -1.190 30.627 31.823 -0.010 0.000 0.714 336 V HN 0.826 nan 8.190 nan 0.000 0.487 337 G N 1.221 110.021 108.800 0.001 0.000 2.178 337 G HA2 0.024 3.983 3.960 -0.000 0.000 0.244 337 G HA3 0.024 3.983 3.960 -0.000 0.000 0.244 337 G C -0.114 174.786 174.900 -0.000 0.000 1.213 337 G CA -0.117 44.984 45.100 0.002 0.000 0.912 337 G HN 0.582 nan 8.290 nan 0.000 0.474 338 E N 1.944 122.144 120.200 0.000 0.000 2.301 338 E HA 0.107 4.457 4.350 -0.000 0.000 0.275 338 E C 0.713 177.312 176.600 -0.002 0.000 1.030 338 E CA -0.316 56.083 56.400 -0.001 0.000 0.852 338 E CB 1.665 31.365 29.700 0.000 0.000 1.060 338 E HN 0.668 nan 8.360 nan 0.000 0.401 339 E N 1.672 121.870 120.200 -0.003 0.000 2.401 339 E HA -0.218 4.132 4.350 -0.000 0.000 0.199 339 E C 1.639 178.237 176.600 -0.004 0.000 1.023 339 E CA 0.642 57.040 56.400 -0.004 0.000 0.859 339 E CB -0.036 29.662 29.700 -0.004 0.000 0.780 339 E HN 0.601 nan 8.360 nan 0.000 0.523 340 A N 1.910 124.728 122.820 -0.003 0.000 1.849 340 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 340 A C 2.454 180.036 177.584 -0.004 0.000 1.202 340 A CA 2.028 54.063 52.037 -0.003 0.000 0.629 340 A CB -0.939 18.060 19.000 -0.002 0.000 0.834 340 A HN 0.330 nan 8.150 nan 0.000 0.447 341 A N -0.403 122.415 122.820 -0.004 0.000 1.902 341 A HA -0.069 4.250 4.320 -0.000 0.000 0.217 341 A C 2.158 179.738 177.584 -0.007 0.000 1.181 341 A CA 1.641 53.675 52.037 -0.005 0.000 0.623 341 A CB -0.698 18.299 19.000 -0.004 0.000 0.818 341 A HN 0.539 nan 8.150 nan 0.000 0.443 342 I N -1.146 119.420 120.570 -0.006 0.000 2.202 342 I HA -0.240 3.930 4.170 -0.000 0.000 0.242 342 I C 2.740 178.852 176.117 -0.009 0.000 1.091 342 I CA 1.483 62.778 61.300 -0.008 0.000 1.368 342 I CB -0.417 37.580 38.000 -0.006 0.000 1.058 342 I HN 0.271 nan 8.210 nan 0.000 0.410 343 Q N 1.468 121.264 119.800 -0.007 0.000 2.061 343 Q HA -0.141 4.199 4.340 -0.000 0.000 0.204 343 Q C 2.232 178.227 176.000 -0.009 0.000 0.984 343 Q CA 2.179 57.978 55.803 -0.008 0.000 0.846 343 Q CB -1.082 27.652 28.738 -0.006 0.000 0.902 343 Q HN 0.506 nan 8.270 nan 0.000 0.421 344 G N -0.004 108.791 108.800 -0.008 0.000 2.469 344 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.219 344 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.219 344 G C 1.612 176.505 174.900 -0.011 0.000 1.150 344 G CA 1.105 46.199 45.100 -0.009 0.000 0.763 344 G HN 0.395 nan 8.290 nan 0.000 0.561 345 R N -0.168 120.324 120.500 -0.012 0.000 2.148 345 R HA 0.076 4.416 4.340 -0.000 0.000 0.227 345 R C 2.465 178.755 176.300 -0.017 0.000 1.103 345 R CA 0.936 57.027 56.100 -0.016 0.000 0.983 345 R CB -0.386 29.903 30.300 -0.017 0.000 0.874 345 R HN 0.227 nan 8.270 nan 0.000 0.451 346 V N 0.546 120.451 119.914 -0.015 0.000 2.427 346 V HA -0.155 3.965 4.120 -0.000 0.000 0.248 346 V C 2.279 178.363 176.094 -0.015 0.000 1.051 346 V CA 1.805 64.096 62.300 -0.016 0.000 1.048 346 V CB -0.590 31.225 31.823 -0.013 0.000 0.666 346 V HN 0.541 nan 8.190 nan 0.000 0.456 347 A N -0.892 121.920 122.820 -0.013 0.000 1.969 347 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 347 A C 2.168 179.744 177.584 -0.014 0.000 1.169 347 A CA 1.746 53.776 52.037 -0.012 0.000 0.635 347 A CB -0.381 18.613 19.000 -0.010 0.000 0.810 347 A HN 0.622 nan 8.150 nan 0.000 0.445 348 Q N -0.492 119.299 119.800 -0.015 0.000 2.046 348 Q HA -0.079 4.261 4.340 -0.000 0.000 0.200 348 Q C 1.985 177.973 176.000 -0.020 0.000 0.975 348 Q CA 1.647 57.440 55.803 -0.017 0.000 0.836 348 Q CB -0.286 28.441 28.738 -0.018 0.000 0.896 348 Q HN 0.754 nan 8.270 nan 0.000 0.428 349 I N -0.052 120.505 120.570 -0.022 0.000 2.439 349 I HA -0.202 3.968 4.170 -0.000 0.000 0.251 349 I C 2.385 178.488 176.117 -0.025 0.000 1.139 349 I CA 0.552 61.836 61.300 -0.027 0.000 1.438 349 I CB -0.167 37.815 38.000 -0.031 0.000 1.085 349 I HN 0.085 nan 8.210 nan 0.000 0.427 350 R N 1.079 121.567 120.500 -0.021 0.000 2.112 350 R HA -0.251 4.089 4.340 -0.000 0.000 0.242 350 R C 2.334 178.623 176.300 -0.017 0.000 1.137 350 R CA 1.965 58.054 56.100 -0.018 0.000 0.944 350 R CB -0.300 29.991 30.300 -0.015 0.000 0.857 350 R HN 0.385 nan 8.270 nan 0.000 0.435 351 Q N -0.628 119.163 119.800 -0.016 0.000 2.167 351 Q HA -0.149 4.190 4.340 -0.000 0.000 0.202 351 Q C 2.050 178.040 176.000 -0.016 0.000 0.970 351 Q CA 1.286 57.080 55.803 -0.015 0.000 0.855 351 Q CB 0.150 28.880 28.738 -0.013 0.000 0.911 351 Q HN 0.518 nan 8.270 nan 0.000 0.438 352 Q N 0.127 119.915 119.800 -0.020 0.000 2.226 352 Q HA -0.149 4.191 4.340 -0.000 0.000 0.204 352 Q C 1.954 177.940 176.000 -0.023 0.000 0.975 352 Q CA 0.939 56.729 55.803 -0.022 0.000 0.866 352 Q CB -0.140 28.582 28.738 -0.028 0.000 0.915 352 Q HN 0.501 nan 8.270 nan 0.000 0.440 353 I N 1.012 121.568 120.570 -0.024 0.000 2.614 353 I HA -0.203 3.967 4.170 -0.000 0.000 0.258 353 I C 1.900 178.007 176.117 -0.016 0.000 1.189 353 I CA 0.630 61.917 61.300 -0.023 0.000 1.462 353 I CB -0.218 37.768 38.000 -0.024 0.000 1.092 353 I HN 0.056 nan 8.210 nan 0.000 0.442 354 E N 1.499 121.691 120.200 -0.014 0.000 2.047 354 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 354 E C 1.748 178.344 176.600 -0.008 0.000 0.987 354 E CA 1.313 57.708 56.400 -0.010 0.000 0.799 354 E CB -0.337 29.357 29.700 -0.009 0.000 0.752 354 E HN 0.593 nan 8.360 nan 0.000 0.449 355 E N 0.717 120.911 120.200 -0.009 0.000 2.489 355 E HA 0.244 4.593 4.350 -0.000 0.000 0.193 355 E C 0.141 176.737 176.600 -0.006 0.000 1.057 355 E CA 0.145 56.541 56.400 -0.007 0.000 0.866 355 E CB 0.348 30.044 29.700 -0.007 0.000 0.916 355 E HN 0.074 nan 8.360 nan 0.000 0.500 356 A N 1.690 124.505 122.820 -0.008 0.000 2.515 356 A HA 0.062 4.382 4.320 -0.000 0.000 0.263 356 A C 1.379 178.964 177.584 0.002 0.000 1.096 356 A CA 0.222 52.255 52.037 -0.006 0.000 0.769 356 A CB -0.148 18.844 19.000 -0.013 0.000 1.040 356 A HN 0.282 nan 8.150 nan 0.000 0.505 357 T N -0.012 114.547 114.554 0.008 0.000 3.051 357 T HA 0.196 4.546 4.350 -0.000 0.000 0.255 357 T C 0.916 175.628 174.700 0.020 0.000 1.085 357 T CA 0.760 62.867 62.100 0.012 0.000 1.109 357 T CB -0.069 68.805 68.868 0.011 0.000 0.921 357 T HN 0.738 nan 8.240 nan 0.000 0.488 358 S N -0.365 115.353 115.700 0.029 0.000 2.607 358 S HA 0.370 4.839 4.470 -0.000 0.000 0.303 358 S C 0.258 174.888 174.600 0.049 0.000 1.086 358 S CA -0.708 57.520 58.200 0.047 0.000 0.995 358 S CB 1.676 64.917 63.200 0.070 0.000 1.084 358 S HN 0.101 nan 8.310 nan 0.000 0.507 359 D N 1.114 121.551 120.400 0.062 0.000 2.123 359 D HA -0.079 4.561 4.640 -0.000 0.000 0.200 359 D C 1.362 177.702 176.300 0.067 0.000 0.976 359 D CA 1.186 55.217 54.000 0.053 0.000 0.831 359 D CB -0.228 40.605 40.800 0.054 0.000 0.974 359 D HN 0.730 nan 8.370 nan 0.000 0.469 360 Y N 2.269 122.569 120.300 0.000 0.000 2.151 360 Y HA -0.224 4.326 4.550 -0.000 0.000 0.284 360 Y C 1.794 177.689 175.900 -0.008 0.000 1.166 360 Y CA 1.720 59.820 58.100 -0.000 0.000 1.163 360 Y CB -0.094 38.368 38.460 0.004 0.000 0.974 360 Y HN -0.067 nan 8.280 nan 0.000 0.511 361 D N -0.594 119.814 120.400 0.013 0.000 2.264 361 D HA -0.136 4.504 4.640 -0.000 0.000 0.208 361 D C 2.134 178.373 176.300 -0.100 0.000 0.966 361 D CA 0.799 54.764 54.000 -0.058 0.000 0.864 361 D CB -0.112 40.698 40.800 0.017 0.000 0.933 361 D HN 0.408 nan 8.370 nan 0.000 0.499 362 R N 0.943 121.397 120.500 -0.075 0.000 2.064 362 R HA -0.115 4.224 4.340 -0.000 0.000 0.228 362 R C 2.289 178.526 176.300 -0.105 0.000 1.144 362 R CA 1.185 57.243 56.100 -0.069 0.000 0.932 362 R CB 0.121 30.399 30.300 -0.036 0.000 0.833 362 R HN 0.066 nan 8.270 nan 0.000 0.429 363 E N 1.033 121.154 120.200 -0.130 0.000 2.065 363 E HA -0.260 4.090 4.350 -0.000 0.000 0.201 363 E C 1.748 178.243 176.600 -0.174 0.000 1.016 363 E CA 1.189 57.505 56.400 -0.139 0.000 0.818 363 E CB -0.324 29.289 29.700 -0.145 0.000 0.749 363 E HN 0.219 nan 8.360 nan 0.000 0.453 364 K N 0.657 120.887 120.400 -0.284 0.000 2.211 364 K HA -0.057 4.263 4.320 -0.000 0.000 0.204 364 K C 2.331 178.838 176.600 -0.155 0.000 1.047 364 K CA 0.721 56.851 56.287 -0.262 0.000 0.935 364 K CB -0.290 31.988 32.500 -0.370 0.000 0.728 364 K HN 0.279 nan 8.250 nan 0.000 0.452 365 L N -0.140 121.006 121.223 -0.128 0.000 2.168 365 L HA -0.035 4.304 4.340 -0.000 0.000 0.203 365 L C 2.275 179.105 176.870 -0.067 0.000 1.078 365 L CA 0.569 55.358 54.840 -0.086 0.000 0.780 365 L CB -0.360 41.656 42.059 -0.071 0.000 0.939 365 L HN 0.069 nan 8.230 nan 0.000 0.451 366 Q N 0.182 119.942 119.800 -0.066 0.000 2.364 366 Q HA -0.196 4.144 4.340 -0.000 0.000 0.209 366 Q C 1.851 177.826 176.000 -0.043 0.000 0.977 366 Q CA 1.128 56.902 55.803 -0.048 0.000 0.885 366 Q CB 0.083 28.795 28.738 -0.043 0.000 0.941 366 Q HN 0.489 nan 8.270 nan 0.000 0.464 367 E N -0.136 120.031 120.200 -0.055 0.000 2.170 367 E HA -0.057 4.292 4.350 -0.000 0.000 0.191 367 E C 1.855 178.434 176.600 -0.034 0.000 0.981 367 E CA 0.314 56.688 56.400 -0.042 0.000 0.830 367 E CB 0.247 29.915 29.700 -0.052 0.000 0.775 367 E HN 0.227 nan 8.360 nan 0.000 0.470 368 R N 0.438 120.911 120.500 -0.045 0.000 2.093 368 R HA -0.076 4.263 4.340 -0.000 0.000 0.224 368 R C 2.658 178.940 176.300 -0.030 0.000 1.101 368 R CA 1.243 57.318 56.100 -0.041 0.000 0.979 368 R CB -0.351 29.917 30.300 -0.053 0.000 0.877 368 R HN 0.166 nan 8.270 nan 0.000 0.441 369 V N -1.186 118.710 119.914 -0.030 0.000 2.295 369 V HA -0.118 4.001 4.120 -0.000 0.000 0.246 369 V C 2.330 178.414 176.094 -0.016 0.000 1.049 369 V CA 1.811 64.098 62.300 -0.023 0.000 1.024 369 V CB -1.036 30.773 31.823 -0.023 0.000 0.648 369 V HN 0.210 nan 8.190 nan 0.000 0.447 370 A N 0.530 123.340 122.820 -0.016 0.000 1.883 370 A HA -0.219 4.100 4.320 -0.000 0.000 0.217 370 A C 2.342 179.924 177.584 -0.002 0.000 1.186 370 A CA 2.381 54.412 52.037 -0.009 0.000 0.624 370 A CB -0.689 18.306 19.000 -0.009 0.000 0.822 370 A HN 0.627 nan 8.150 nan 0.000 0.444 371 K N -1.236 119.164 120.400 0.000 0.000 2.026 371 K HA -0.114 4.205 4.320 -0.000 0.000 0.208 371 K C 1.932 178.537 176.600 0.009 0.000 1.048 371 K CA 1.463 57.758 56.287 0.013 0.000 0.929 371 K CB -0.281 32.231 32.500 0.021 0.000 0.713 371 K HN 0.360 nan 8.250 nan 0.000 0.439 372 L N 0.233 121.455 121.223 -0.002 0.000 2.049 372 L HA 0.013 4.353 4.340 -0.000 0.000 0.203 372 L C 1.987 178.855 176.870 -0.003 0.000 1.074 372 L CA 1.802 56.639 54.840 -0.004 0.000 0.749 372 L CB -0.628 41.423 42.059 -0.013 0.000 0.907 372 L HN 0.104 nan 8.230 nan 0.000 0.439 373 A N -1.418 121.398 122.820 -0.006 0.000 2.132 373 A HA 0.224 4.544 4.320 -0.000 0.000 0.213 373 A C 2.140 179.722 177.584 -0.004 0.000 1.154 373 A CA 0.741 52.774 52.037 -0.006 0.000 0.753 373 A CB -0.927 18.068 19.000 -0.008 0.000 0.826 373 A HN 0.468 nan 8.150 nan 0.000 0.469 374 G N -0.477 108.321 108.800 -0.003 0.000 2.464 374 G HA2 0.365 4.325 3.960 -0.000 0.000 0.217 374 G HA3 0.365 4.325 3.960 -0.000 0.000 0.217 374 G C 1.123 176.023 174.900 -0.001 0.000 1.138 374 G CA 0.669 45.768 45.100 -0.002 0.000 0.793 374 G HN 1.556 nan 8.290 nan 0.000 0.539 375 G N -1.525 107.277 108.800 0.002 0.000 2.806 375 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.236 375 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.236 375 G C -0.594 174.307 174.900 0.002 0.000 1.387 375 G CA -0.211 44.891 45.100 0.003 0.000 0.884 375 G HN 0.975 nan 8.290 nan 0.000 0.560 376 V N 0.270 120.183 119.914 -0.001 0.000 2.656 376 V HA 0.741 4.861 4.120 -0.000 0.000 0.307 376 V C 0.690 176.779 176.094 -0.008 0.000 1.051 376 V CA -0.069 62.228 62.300 -0.005 0.000 0.893 376 V CB 1.661 33.481 31.823 -0.004 0.000 0.999 376 V HN 2.043 nan 8.190 nan 0.000 0.426 377 A N 4.317 127.130 122.820 -0.011 0.000 2.252 377 A HA 0.727 5.047 4.320 -0.000 0.000 0.309 377 A C -0.235 177.340 177.584 -0.015 0.000 1.285 377 A CA -0.376 51.654 52.037 -0.012 0.000 0.900 377 A CB 0.904 19.896 19.000 -0.013 0.000 1.157 377 A HN 1.364 nan 8.150 nan 0.000 0.536 378 V N 1.790 121.696 119.914 -0.013 0.000 2.617 378 V HA 0.757 4.877 4.120 -0.000 0.000 0.298 378 V C -0.354 175.732 176.094 -0.013 0.000 1.048 378 V CA -0.650 61.642 62.300 -0.014 0.000 0.964 378 V CB 1.177 32.992 31.823 -0.013 0.000 1.004 378 V HN 0.616 nan 8.190 nan 0.000 0.466 379 I N 4.600 125.162 120.570 -0.014 0.000 2.464 379 I HA 0.394 4.563 4.170 -0.000 0.000 0.277 379 I C 0.156 176.267 176.117 -0.010 0.000 1.040 379 I CA -0.560 60.734 61.300 -0.011 0.000 1.153 379 I CB 1.255 39.248 38.000 -0.012 0.000 1.274 379 I HN 0.654 nan 8.210 nan 0.000 0.469 380 K N 4.945 125.340 120.400 -0.009 0.000 2.412 380 K HA 0.281 4.601 4.320 -0.000 0.000 0.284 380 K C -0.456 176.141 176.600 -0.006 0.000 1.046 380 K CA -0.253 56.029 56.287 -0.007 0.000 0.999 380 K CB 1.361 33.857 32.500 -0.007 0.000 0.941 380 K HN 0.286 nan 8.250 nan 0.000 0.474 381 V N 2.902 122.813 119.914 -0.005 0.000 2.407 381 V HA 0.272 4.391 4.120 -0.000 0.000 0.278 381 V C 0.734 176.826 176.094 -0.003 0.000 1.037 381 V CA -0.573 61.725 62.300 -0.004 0.000 0.900 381 V CB 1.374 33.196 31.823 -0.002 0.000 0.983 381 V HN 0.919 nan 8.190 nan 0.000 0.459 382 G N 3.001 111.799 108.800 -0.003 0.000 2.410 382 G HA2 0.845 4.805 3.960 -0.000 0.000 0.330 382 G HA3 0.845 4.805 3.960 -0.000 0.000 0.330 382 G C -0.512 174.387 174.900 -0.002 0.000 1.142 382 G CA 0.149 45.248 45.100 -0.003 0.000 0.902 382 G HN 1.190 nan 8.290 nan 0.000 0.491 383 A N -0.494 122.324 122.820 -0.002 0.000 2.493 383 A HA 0.798 5.117 4.320 -0.000 0.000 0.300 383 A C 0.682 178.265 177.584 -0.002 0.000 1.152 383 A CA 0.426 52.462 52.037 -0.002 0.000 0.643 383 A CB 0.379 19.378 19.000 -0.002 0.000 1.316 383 A HN 1.789 nan 8.150 nan 0.000 0.469 384 A N -0.989 121.830 122.820 -0.002 0.000 2.044 384 A HA 0.519 4.839 4.320 -0.000 0.000 0.213 384 A C 1.114 178.697 177.584 -0.002 0.000 1.169 384 A CA 2.012 54.048 52.037 -0.002 0.000 0.724 384 A CB -0.250 18.749 19.000 -0.002 0.000 0.840 384 A HN 2.128 nan 8.150 nan 0.000 0.463 385 T N -2.568 111.985 114.554 -0.002 0.000 2.916 385 T HA 0.353 4.702 4.350 -0.000 0.000 0.305 385 T C 0.480 175.179 174.700 -0.001 0.000 1.119 385 T CA 0.096 62.195 62.100 -0.002 0.000 1.008 385 T CB 1.647 70.514 68.868 -0.001 0.000 1.129 385 T HN 0.277 nan 8.240 nan 0.000 0.480 386 E N 1.762 121.961 120.200 -0.001 0.000 2.070 386 E HA -0.155 4.195 4.350 -0.000 0.000 0.197 386 E C 1.886 178.485 176.600 -0.001 0.000 1.004 386 E CA 2.169 58.568 56.400 -0.001 0.000 0.805 386 E CB -0.227 29.472 29.700 -0.002 0.000 0.744 386 E HN 0.613 nan 8.360 nan 0.000 0.451 387 V N 0.993 120.906 119.914 -0.001 0.000 2.380 387 V HA -0.271 3.849 4.120 -0.000 0.000 0.251 387 V C 2.357 178.450 176.094 -0.001 0.000 1.063 387 V CA 2.345 64.644 62.300 -0.001 0.000 1.055 387 V CB -0.660 31.163 31.823 -0.001 0.000 0.657 387 V HN 0.344 nan 8.190 nan 0.000 0.455 388 E N -0.806 119.394 120.200 -0.001 0.000 2.170 388 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 388 E C 2.153 178.752 176.600 -0.001 0.000 0.981 388 E CA 0.797 57.197 56.400 -0.001 0.000 0.830 388 E CB 0.007 29.706 29.700 -0.001 0.000 0.775 388 E HN 0.551 nan 8.360 nan 0.000 0.470 389 M N 0.470 120.070 119.600 -0.001 0.000 2.276 389 M HA -0.056 4.424 4.480 -0.000 0.000 0.262 389 M C 1.965 178.265 176.300 -0.000 0.000 1.098 389 M CA 1.250 56.550 55.300 -0.001 0.000 1.167 389 M CB -0.101 32.498 32.600 -0.001 0.000 1.337 389 M HN -0.142 nan 8.290 nan 0.000 0.446 390 K N 0.321 120.721 120.400 -0.000 0.000 2.360 390 K HA -0.188 4.132 4.320 -0.000 0.000 0.201 390 K C 1.887 178.488 176.600 0.002 0.000 1.046 390 K CA 1.007 57.294 56.287 0.001 0.000 0.940 390 K CB 0.019 32.519 32.500 0.001 0.000 0.748 390 K HN 0.379 nan 8.250 nan 0.000 0.465 391 E N 1.379 121.579 120.200 0.001 0.000 2.011 391 E HA -0.176 4.173 4.350 -0.000 0.000 0.191 391 E C 1.782 178.384 176.600 0.003 0.000 0.980 391 E CA 1.193 57.594 56.400 0.002 0.000 0.814 391 E CB -0.048 29.652 29.700 0.001 0.000 0.775 391 E HN 0.103 nan 8.360 nan 0.000 0.454 392 K N 1.162 121.563 120.400 0.002 0.000 2.107 392 K HA -0.253 4.066 4.320 -0.000 0.000 0.211 392 K C 2.337 178.939 176.600 0.004 0.000 1.049 392 K CA 2.121 58.409 56.287 0.002 0.000 0.927 392 K CB -0.202 32.298 32.500 0.001 0.000 0.714 392 K HN -0.018 nan 8.250 nan 0.000 0.452 393 K N 0.095 120.497 120.400 0.003 0.000 2.015 393 K HA -0.244 4.076 4.320 -0.000 0.000 0.216 393 K C 1.997 178.603 176.600 0.009 0.000 1.052 393 K CA 1.858 58.147 56.287 0.005 0.000 0.937 393 K CB -0.380 32.122 32.500 0.003 0.000 0.719 393 K HN 0.273 nan 8.250 nan 0.000 0.446 394 A N 1.302 124.128 122.820 0.011 0.000 1.908 394 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 394 A C 2.208 179.804 177.584 0.020 0.000 1.181 394 A CA 1.813 53.860 52.037 0.017 0.000 0.627 394 A CB -0.621 18.387 19.000 0.013 0.000 0.818 394 A HN 0.449 nan 8.150 nan 0.000 0.445 395 R N -0.722 119.786 120.500 0.014 0.000 2.096 395 R HA -0.087 4.252 4.340 -0.000 0.000 0.235 395 R C 2.037 178.348 176.300 0.018 0.000 1.127 395 R CA 1.542 57.650 56.100 0.014 0.000 0.968 395 R CB -0.383 29.922 30.300 0.007 0.000 0.861 395 R HN 0.365 nan 8.270 nan 0.000 0.440 396 V N 1.025 120.948 119.914 0.014 0.000 2.261 396 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 396 V C 1.944 178.052 176.094 0.022 0.000 1.047 396 V CA 1.996 64.304 62.300 0.013 0.000 1.015 396 V CB -0.442 31.384 31.823 0.005 0.000 0.642 396 V HN 0.415 nan 8.190 nan 0.000 0.446 397 E N -0.346 119.870 120.200 0.027 0.000 2.187 397 E HA -0.277 4.073 4.350 -0.000 0.000 0.199 397 E C 1.943 178.607 176.600 0.107 0.000 1.004 397 E CA 1.554 57.982 56.400 0.047 0.000 0.813 397 E CB -0.165 29.566 29.700 0.053 0.000 0.736 397 E HN 0.633 nan 8.360 nan 0.000 0.468 398 D N -0.044 120.407 120.400 0.084 0.000 2.084 398 D HA -0.122 4.518 4.640 -0.000 0.000 0.196 398 D C 1.946 178.301 176.300 0.092 0.000 0.985 398 D CA 1.331 55.383 54.000 0.086 0.000 0.826 398 D CB -0.193 40.630 40.800 0.038 0.000 0.978 398 D HN 0.163 nan 8.370 nan 0.000 0.456 399 A N 1.055 123.909 122.820 0.056 0.000 1.902 399 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 399 A C 2.324 179.939 177.584 0.052 0.000 1.181 399 A CA 0.928 52.992 52.037 0.045 0.000 0.623 399 A CB -0.882 18.132 19.000 0.024 0.000 0.818 399 A HN 0.245 nan 8.150 nan 0.000 0.443 400 L N -1.245 120.001 121.223 0.039 0.000 1.990 400 L HA -0.259 4.081 4.340 -0.000 0.000 0.213 400 L C 2.623 179.498 176.870 0.009 0.000 1.072 400 L CA 2.147 56.989 54.840 0.003 0.000 0.755 400 L CB -0.476 41.562 42.059 -0.035 0.000 0.889 400 L HN 0.509 nan 8.230 nan 0.000 0.432 401 H N -0.212 118.857 119.070 -0.001 0.000 2.252 401 H HA -0.220 4.336 4.556 -0.000 0.000 0.292 401 H C 2.107 177.437 175.328 0.002 0.000 1.082 401 H CA 1.984 58.032 56.048 0.000 0.000 1.229 401 H CB -0.439 29.323 29.762 -0.001 0.000 1.353 401 H HN 0.546 nan 8.280 nan 0.000 0.488 402 A N -0.182 122.735 122.820 0.160 0.000 2.070 402 A HA -0.125 4.194 4.320 -0.000 0.000 0.220 402 A C 2.619 180.239 177.584 0.059 0.000 1.159 402 A CA 1.817 53.904 52.037 0.083 0.000 0.656 402 A CB -0.631 18.399 19.000 0.050 0.000 0.800 402 A HN 0.466 nan 8.150 nan 0.000 0.453 403 T N -0.611 113.973 114.554 0.051 0.000 2.737 403 T HA -0.104 4.246 4.350 -0.000 0.000 0.265 403 T C 2.075 176.792 174.700 0.028 0.000 1.038 403 T CA 1.419 63.537 62.100 0.030 0.000 1.144 403 T CB -0.186 68.693 68.868 0.018 0.000 0.866 403 T HN 0.511 nan 8.240 nan 0.000 0.434 404 R N 0.765 121.284 120.500 0.031 0.000 2.105 404 R HA 0.017 4.356 4.340 -0.000 0.000 0.239 404 R C 2.479 178.800 176.300 0.035 0.000 1.135 404 R CA 1.282 57.395 56.100 0.022 0.000 0.967 404 R CB -0.275 30.031 30.300 0.009 0.000 0.861 404 R HN 0.335 nan 8.270 nan 0.000 0.442 405 A N -0.137 122.715 122.820 0.053 0.000 2.169 405 A HA 0.146 4.466 4.320 -0.000 0.000 0.212 405 A C 1.950 179.555 177.584 0.035 0.000 1.153 405 A CA 1.031 53.098 52.037 0.050 0.000 0.756 405 A CB -0.051 18.986 19.000 0.062 0.000 0.813 405 A HN 0.381 nan 8.150 nan 0.000 0.471 406 A N -0.577 122.262 122.820 0.030 0.000 1.887 406 A HA 0.163 4.483 4.320 -0.000 0.000 0.212 406 A C 2.007 179.602 177.584 0.019 0.000 1.198 406 A CA 1.157 53.208 52.037 0.023 0.000 0.628 406 A CB -0.769 18.244 19.000 0.021 0.000 0.847 406 A HN 0.302 nan 8.150 nan 0.000 0.449 407 V N 0.661 120.586 119.914 0.018 0.000 2.439 407 V HA -0.341 3.779 4.120 -0.000 0.000 0.253 407 V C 2.380 178.483 176.094 0.015 0.000 1.074 407 V CA 2.535 64.843 62.300 0.014 0.000 1.076 407 V CB -0.849 30.981 31.823 0.011 0.000 0.664 407 V HN 0.632 nan 8.190 nan 0.000 0.461 408 E N -0.561 119.650 120.200 0.019 0.000 2.051 408 E HA -0.090 4.259 4.350 -0.000 0.000 0.189 408 E C 1.553 178.163 176.600 0.017 0.000 0.979 408 E CA 1.107 57.518 56.400 0.019 0.000 0.803 408 E CB 0.066 29.780 29.700 0.023 0.000 0.761 408 E HN 0.653 nan 8.360 nan 0.000 0.451 409 E N -0.584 119.628 120.200 0.019 0.000 2.810 409 E HA 0.233 4.583 4.350 -0.000 0.000 0.214 409 E C 0.000 176.610 176.600 0.016 0.000 0.980 409 E CA 0.050 56.459 56.400 0.017 0.000 1.159 409 E CB 1.630 31.341 29.700 0.017 0.000 1.047 409 E HN 0.253 nan 8.360 nan 0.000 0.484 410 G N 1.159 109.969 108.800 0.017 0.000 2.725 410 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.220 410 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.220 410 G C -0.281 174.630 174.900 0.017 0.000 1.357 410 G CA -0.410 44.699 45.100 0.016 0.000 0.866 410 G HN 0.539 nan 8.290 nan 0.000 0.548 411 V N -2.558 117.366 119.914 0.017 0.000 3.102 411 V HA 1.003 5.122 4.120 -0.000 0.000 0.312 411 V C 0.445 176.551 176.094 0.019 0.000 1.135 411 V CA 0.283 62.594 62.300 0.018 0.000 1.022 411 V CB 1.556 33.388 31.823 0.016 0.000 1.056 411 V HN 2.540 nan 8.190 nan 0.000 0.436 412 V N -1.072 118.853 119.914 0.019 0.000 3.206 412 V HA 0.962 5.082 4.120 -0.000 0.000 0.305 412 V C 0.471 176.578 176.094 0.021 0.000 1.257 412 V CA -0.860 61.454 62.300 0.022 0.000 1.057 412 V CB 1.121 32.958 31.823 0.023 0.000 1.075 412 V HN 2.416 nan 8.190 nan 0.000 0.443 413 A N 1.004 123.840 122.820 0.027 0.000 2.547 413 A HA 0.324 4.644 4.320 -0.000 0.000 0.269 413 A C 1.598 179.192 177.584 0.016 0.000 1.041 413 A CA 0.801 52.853 52.037 0.025 0.000 0.855 413 A CB -0.832 18.191 19.000 0.038 0.000 0.934 413 A HN 2.171 nan 8.150 nan 0.000 0.521 414 G N 2.439 111.242 108.800 0.006 0.000 2.625 414 G HA2 0.115 4.075 3.960 -0.000 0.000 0.214 414 G HA3 0.115 4.075 3.960 -0.000 0.000 0.214 414 G C 0.987 175.886 174.900 -0.001 0.000 1.132 414 G CA 0.786 45.886 45.100 0.000 0.000 0.782 414 G HN 1.213 nan 8.290 nan 0.000 0.538 415 G N -0.386 108.415 108.800 0.002 0.000 3.440 415 G HA2 0.404 4.364 3.960 -0.000 0.000 0.263 415 G HA3 0.404 4.364 3.960 -0.000 0.000 0.263 415 G C 1.214 176.127 174.900 0.022 0.000 1.236 415 G CA 0.275 45.377 45.100 0.004 0.000 0.927 415 G HN 1.107 nan 8.290 nan 0.000 0.530 416 G N -0.684 108.128 108.800 0.020 0.000 2.180 416 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.263 416 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.263 416 G C 1.281 176.201 174.900 0.033 0.000 0.989 416 G CA 0.700 45.815 45.100 0.025 0.000 0.692 416 G HN 0.569 nan 8.290 nan 0.000 0.526 417 V N 0.541 120.476 119.914 0.035 0.000 2.261 417 V HA -0.069 4.051 4.120 -0.000 0.000 0.246 417 V C 3.299 179.420 176.094 0.045 0.000 1.047 417 V CA 2.866 65.193 62.300 0.045 0.000 1.015 417 V CB -1.468 30.381 31.823 0.042 0.000 0.642 417 V HN 1.046 nan 8.190 nan 0.000 0.446 418 A N 0.354 123.197 122.820 0.037 0.000 1.894 418 A HA -0.276 4.044 4.320 -0.000 0.000 0.220 418 A C 2.234 179.838 177.584 0.033 0.000 1.237 418 A CA 2.438 54.496 52.037 0.035 0.000 0.660 418 A CB -0.853 18.164 19.000 0.028 0.000 0.835 418 A HN 0.391 nan 8.150 nan 0.000 0.461 419 L N -0.420 120.821 121.223 0.030 0.000 2.012 419 L HA -0.154 4.185 4.340 -0.000 0.000 0.210 419 L C 2.506 179.394 176.870 0.029 0.000 1.073 419 L CA 1.618 56.475 54.840 0.027 0.000 0.748 419 L CB -1.034 41.040 42.059 0.025 0.000 0.891 419 L HN 0.413 nan 8.230 nan 0.000 0.431 420 I N -0.814 119.777 120.570 0.034 0.000 2.394 420 I HA -0.293 3.877 4.170 -0.000 0.000 0.251 420 I C 2.653 178.794 176.117 0.039 0.000 1.136 420 I CA 0.820 62.142 61.300 0.036 0.000 1.425 420 I CB -0.405 37.621 38.000 0.044 0.000 1.079 420 I HN 0.317 nan 8.210 nan 0.000 0.425 421 R N 1.245 121.771 120.500 0.044 0.000 2.070 421 R HA -0.154 4.185 4.340 -0.000 0.000 0.233 421 R C 2.322 178.643 176.300 0.034 0.000 1.137 421 R CA 2.198 58.326 56.100 0.046 0.000 0.945 421 R CB -0.553 29.778 30.300 0.053 0.000 0.845 421 R HN 0.320 nan 8.270 nan 0.000 0.430 422 V N -1.507 118.424 119.914 0.029 0.000 2.427 422 V HA 0.010 4.130 4.120 -0.000 0.000 0.248 422 V C 2.161 178.267 176.094 0.020 0.000 1.051 422 V CA 1.659 63.973 62.300 0.023 0.000 1.048 422 V CB -1.100 30.735 31.823 0.019 0.000 0.666 422 V HN 0.363 nan 8.190 nan 0.000 0.456 423 A N 1.530 124.362 122.820 0.021 0.000 1.969 423 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 423 A C 2.581 180.176 177.584 0.017 0.000 1.169 423 A CA 2.300 54.347 52.037 0.018 0.000 0.635 423 A CB -0.908 18.103 19.000 0.018 0.000 0.810 423 A HN 0.954 nan 8.150 nan 0.000 0.445 424 S N -0.348 115.365 115.700 0.021 0.000 2.428 424 S HA -0.086 4.383 4.470 -0.000 0.000 0.230 424 S C 1.813 176.423 174.600 0.016 0.000 1.014 424 S CA 1.144 59.356 58.200 0.019 0.000 0.957 424 S CB -0.255 62.960 63.200 0.025 0.000 0.784 424 S HN 0.586 nan 8.310 nan 0.000 0.499 425 K N 1.143 121.553 120.400 0.017 0.000 1.985 425 K HA 0.004 4.323 4.320 -0.000 0.000 0.210 425 K C 0.867 177.474 176.600 0.011 0.000 1.047 425 K CA 1.421 57.716 56.287 0.014 0.000 0.932 425 K CB -0.602 31.907 32.500 0.015 0.000 0.716 425 K HN 0.493 nan 8.250 nan 0.000 0.439 426 L N -0.631 120.598 121.223 0.011 0.000 2.955 426 L HA 0.316 4.655 4.340 -0.000 0.000 0.238 426 L C 1.015 177.889 176.870 0.007 0.000 1.359 426 L CA -0.049 54.796 54.840 0.008 0.000 1.214 426 L CB 0.132 42.195 42.059 0.007 0.000 1.600 426 L HN -0.082 nan 8.230 nan 0.000 0.442 427 A N -1.200 121.624 122.820 0.007 0.000 2.208 427 A HA 0.021 4.341 4.320 -0.000 0.000 0.209 427 A C 1.624 179.211 177.584 0.005 0.000 1.161 427 A CA 0.534 52.575 52.037 0.006 0.000 0.782 427 A CB -0.165 18.840 19.000 0.007 0.000 0.816 427 A HN 0.455 nan 8.150 nan 0.000 0.477 428 D N -0.813 119.590 120.400 0.004 0.000 2.305 428 D HA 0.050 4.690 4.640 -0.000 0.000 0.206 428 D C 0.571 176.872 176.300 0.003 0.000 0.974 428 D CA -0.051 53.951 54.000 0.003 0.000 0.871 428 D CB -0.228 40.574 40.800 0.003 0.000 0.947 428 D HN 0.322 nan 8.370 nan 0.000 0.516 429 L N 2.358 123.583 121.223 0.003 0.000 2.737 429 L HA -0.114 4.225 4.340 -0.000 0.000 0.279 429 L C 0.287 177.159 176.870 0.003 0.000 1.200 429 L CA 0.732 55.574 54.840 0.003 0.000 0.952 429 L CB 0.005 42.066 42.059 0.004 0.000 1.240 429 L HN -0.198 nan 8.230 nan 0.000 0.486 430 R N 3.294 123.795 120.500 0.002 0.000 2.856 430 R HA 0.814 5.154 4.340 -0.000 0.000 0.258 430 R C 0.189 176.490 176.300 0.002 0.000 1.066 430 R CA -0.248 55.853 56.100 0.002 0.000 1.045 430 R CB 1.265 31.566 30.300 0.002 0.000 1.178 430 R HN 0.785 nan 8.270 nan 0.000 0.499 431 G N -0.293 108.508 108.800 0.002 0.000 3.257 431 G HA2 0.335 4.295 3.960 -0.000 0.000 0.205 431 G HA3 0.335 4.295 3.960 -0.000 0.000 0.205 431 G C -0.311 174.590 174.900 0.001 0.000 1.234 431 G CA -0.110 44.991 45.100 0.001 0.000 0.918 431 G HN 0.335 nan 8.290 nan 0.000 0.602 432 Q N -0.439 119.362 119.800 0.001 0.000 2.514 432 Q HA 0.187 4.526 4.340 -0.000 0.000 0.208 432 Q C 1.115 177.116 176.000 0.001 0.000 0.938 432 Q CA -0.030 55.773 55.803 0.001 0.000 0.892 432 Q CB -0.222 28.516 28.738 0.001 0.000 1.050 432 Q HN 0.543 nan 8.270 nan 0.000 0.595 433 N N 1.254 119.955 118.700 0.001 0.000 2.407 433 N HA -0.077 4.663 4.740 -0.000 0.000 0.250 433 N C 0.429 175.940 175.510 0.001 0.000 1.236 433 N CA 0.027 53.078 53.050 0.001 0.000 0.879 433 N CB 0.583 39.071 38.487 0.001 0.000 1.088 433 N HN 0.268 nan 8.380 nan 0.000 0.450 434 E N 1.304 121.504 120.200 0.001 0.000 2.338 434 E HA -0.191 4.158 4.350 -0.000 0.000 0.197 434 E C 0.300 176.901 176.600 0.002 0.000 1.007 434 E CA 0.951 57.352 56.400 0.001 0.000 0.849 434 E CB 0.107 29.807 29.700 0.001 0.000 0.774 434 E HN 0.551 nan 8.360 nan 0.000 0.506 435 D N 1.187 121.588 120.400 0.002 0.000 2.144 435 D HA -0.165 4.475 4.640 -0.000 0.000 0.199 435 D C 1.853 178.155 176.300 0.003 0.000 0.984 435 D CA 1.056 55.057 54.000 0.002 0.000 0.834 435 D CB -0.120 40.681 40.800 0.002 0.000 0.955 435 D HN 0.329 nan 8.370 nan 0.000 0.465 436 Q N -0.056 119.745 119.800 0.002 0.000 2.230 436 Q HA -0.072 4.268 4.340 -0.000 0.000 0.202 436 Q C 1.692 177.694 176.000 0.003 0.000 0.963 436 Q CA 0.558 56.362 55.803 0.003 0.000 0.866 436 Q CB 0.242 28.981 28.738 0.002 0.000 0.931 436 Q HN 0.140 nan 8.270 nan 0.000 0.452 437 N N -0.314 118.388 118.700 0.002 0.000 2.058 437 N HA -0.149 4.591 4.740 -0.000 0.000 0.191 437 N C 1.770 177.282 175.510 0.003 0.000 1.037 437 N CA 1.228 54.279 53.050 0.003 0.000 0.848 437 N CB -0.507 37.981 38.487 0.002 0.000 1.021 437 N HN 0.051 nan 8.380 nan 0.000 0.422 438 V N 1.103 121.019 119.914 0.003 0.000 2.370 438 V HA -0.240 3.879 4.120 -0.000 0.000 0.252 438 V C 2.362 178.459 176.094 0.004 0.000 1.068 438 V CA 2.127 64.429 62.300 0.003 0.000 1.061 438 V CB -1.282 30.543 31.823 0.003 0.000 0.656 438 V HN 0.409 nan 8.190 nan 0.000 0.455 439 G N -0.278 108.525 108.800 0.004 0.000 2.422 439 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.218 439 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.218 439 G C 1.503 176.406 174.900 0.005 0.000 1.146 439 G CA 1.085 46.188 45.100 0.005 0.000 0.769 439 G HN 0.535 nan 8.290 nan 0.000 0.547 440 I N 0.153 120.726 120.570 0.004 0.000 2.163 440 I HA -0.077 4.093 4.170 -0.000 0.000 0.240 440 I C 2.697 178.817 176.117 0.005 0.000 1.081 440 I CA 1.070 62.373 61.300 0.005 0.000 1.353 440 I CB -0.198 37.804 38.000 0.004 0.000 1.054 440 I HN -0.059 nan 8.210 nan 0.000 0.407 441 K N 0.914 121.317 120.400 0.005 0.000 2.074 441 K HA -0.133 4.187 4.320 -0.000 0.000 0.209 441 K C 2.020 178.624 176.600 0.006 0.000 1.048 441 K CA 1.118 57.408 56.287 0.005 0.000 0.926 441 K CB -0.830 31.673 32.500 0.005 0.000 0.713 441 K HN 0.119 nan 8.250 nan 0.000 0.444 442 V N 0.568 120.485 119.914 0.006 0.000 2.252 442 V HA -0.313 3.806 4.120 -0.000 0.000 0.249 442 V C 2.182 178.281 176.094 0.008 0.000 1.056 442 V CA 2.228 64.532 62.300 0.007 0.000 1.022 442 V CB -0.776 31.051 31.823 0.007 0.000 0.641 442 V HN 0.418 nan 8.190 nan 0.000 0.445 443 A N -1.104 121.720 122.820 0.008 0.000 2.015 443 A HA -0.062 4.257 4.320 -0.000 0.000 0.219 443 A C 2.195 179.785 177.584 0.010 0.000 1.163 443 A CA 1.362 53.404 52.037 0.009 0.000 0.646 443 A CB -0.376 18.629 19.000 0.008 0.000 0.806 443 A HN 0.503 nan 8.150 nan 0.000 0.448 444 L N -1.340 119.889 121.223 0.009 0.000 2.044 444 L HA -0.096 4.244 4.340 -0.000 0.000 0.205 444 L C 2.768 179.645 176.870 0.011 0.000 1.075 444 L CA 1.543 56.389 54.840 0.010 0.000 0.747 444 L CB -0.405 41.659 42.059 0.009 0.000 0.903 444 L HN 0.418 nan 8.230 nan 0.000 0.435 445 R N 0.232 120.738 120.500 0.010 0.000 2.152 445 R HA -0.144 4.196 4.340 -0.000 0.000 0.232 445 R C 2.125 178.431 176.300 0.011 0.000 1.117 445 R CA 1.165 57.270 56.100 0.010 0.000 0.981 445 R CB -0.108 30.197 30.300 0.008 0.000 0.870 445 R HN 0.347 nan 8.270 nan 0.000 0.451 446 A N 0.145 122.972 122.820 0.011 0.000 2.119 446 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 446 A C 1.887 179.480 177.584 0.015 0.000 1.153 446 A CA 0.894 52.939 52.037 0.013 0.000 0.692 446 A CB -0.214 18.794 19.000 0.014 0.000 0.799 446 A HN 0.330 nan 8.150 nan 0.000 0.458 447 M N -0.451 119.158 119.600 0.015 0.000 2.558 447 M HA -0.017 4.463 4.480 -0.000 0.000 0.255 447 M C 0.968 177.280 176.300 0.019 0.000 1.113 447 M CA 0.668 55.979 55.300 0.017 0.000 1.097 447 M CB -0.051 32.559 32.600 0.017 0.000 1.426 447 M HN 0.429 nan 8.290 nan 0.000 0.488 448 E N 0.481 120.691 120.200 0.017 0.000 2.489 448 E HA 0.089 4.438 4.350 -0.000 0.000 0.193 448 E C 1.870 178.480 176.600 0.017 0.000 1.057 448 E CA 0.247 56.658 56.400 0.018 0.000 0.866 448 E CB 0.100 29.809 29.700 0.015 0.000 0.916 448 E HN 0.449 nan 8.360 nan 0.000 0.500 449 A N 2.774 125.603 122.820 0.016 0.000 1.851 449 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 449 A C -0.227 177.367 177.584 0.016 0.000 1.195 449 A CA 1.256 53.302 52.037 0.014 0.000 0.622 449 A CB -1.417 17.591 19.000 0.014 0.000 0.831 449 A HN 0.133 nan 8.150 nan 0.000 0.444 450 P HA -0.142 nan 4.420 nan 0.000 0.213 450 P C 1.804 179.118 177.300 0.023 0.000 1.170 450 P CA 0.994 64.105 63.100 0.019 0.000 0.898 450 P CB -0.134 31.577 31.700 0.019 0.000 0.787 451 L N -0.504 120.735 121.223 0.028 0.000 1.971 451 L HA -0.232 4.107 4.340 -0.000 0.000 0.215 451 L C 2.466 179.352 176.870 0.028 0.000 1.072 451 L CA 2.039 56.900 54.840 0.036 0.000 0.758 451 L CB -0.652 41.433 42.059 0.043 0.000 0.889 451 L HN -0.259 nan 8.230 nan 0.000 0.433 452 R N -1.079 119.431 120.500 0.018 0.000 2.117 452 R HA -0.242 4.098 4.340 -0.000 0.000 0.243 452 R C 2.318 178.625 176.300 0.011 0.000 1.143 452 R CA 1.745 57.850 56.100 0.008 0.000 0.968 452 R CB -0.369 29.934 30.300 0.004 0.000 0.863 452 R HN 0.458 nan 8.270 nan 0.000 0.444 453 Q N 0.488 120.297 119.800 0.015 0.000 2.049 453 Q HA -0.048 4.291 4.340 -0.000 0.000 0.198 453 Q C 1.807 177.818 176.000 0.019 0.000 0.971 453 Q CA 1.471 57.282 55.803 0.014 0.000 0.833 453 Q CB -0.049 28.696 28.738 0.012 0.000 0.896 453 Q HN 0.257 nan 8.270 nan 0.000 0.434 454 I N -0.138 120.447 120.570 0.026 0.000 2.087 454 I HA -0.323 3.847 4.170 -0.000 0.000 0.240 454 I C 2.153 178.300 176.117 0.051 0.000 1.054 454 I CA 1.437 62.758 61.300 0.035 0.000 1.311 454 I CB -1.282 36.744 38.000 0.044 0.000 1.024 454 I HN 0.098 nan 8.210 nan 0.000 0.402 455 V N 0.813 120.765 119.914 0.064 0.000 2.380 455 V HA -0.280 3.840 4.120 -0.000 0.000 0.251 455 V C 2.525 178.637 176.094 0.029 0.000 1.063 455 V CA 1.856 64.192 62.300 0.060 0.000 1.055 455 V CB -0.603 31.215 31.823 -0.008 0.000 0.657 455 V HN 0.331 nan 8.190 nan 0.000 0.455 456 L N 0.358 121.590 121.223 0.016 0.000 2.044 456 L HA -0.079 4.261 4.340 -0.000 0.000 0.205 456 L C 2.228 179.105 176.870 0.013 0.000 1.075 456 L CA 1.724 56.569 54.840 0.010 0.000 0.747 456 L CB -0.739 41.324 42.059 0.005 0.000 0.903 456 L HN 0.296 nan 8.230 nan 0.000 0.435 457 N N -0.779 117.930 118.700 0.014 0.000 2.322 457 N HA -0.223 4.517 4.740 -0.000 0.000 0.189 457 N C 1.544 177.063 175.510 0.015 0.000 1.012 457 N CA 1.697 54.755 53.050 0.013 0.000 0.880 457 N CB -0.733 37.760 38.487 0.011 0.000 0.967 457 N HN 0.466 nan 8.380 nan 0.000 0.439 458 C N -1.442 117.873 119.300 0.025 0.000 2.799 458 C HA 0.404 4.864 4.460 -0.000 0.000 0.267 458 C C 1.628 176.633 174.990 0.026 0.000 1.257 458 C CA -0.060 58.975 59.018 0.029 0.000 1.702 458 C CB -0.685 27.087 27.740 0.053 0.000 1.934 458 C HN 0.562 nan 8.230 nan 0.000 0.594 459 G N 1.524 110.335 108.800 0.019 0.000 2.147 459 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.244 459 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.244 459 G C -0.297 174.610 174.900 0.013 0.000 1.005 459 G CA 0.102 45.210 45.100 0.013 0.000 0.713 459 G HN 0.526 nan 8.290 nan 0.000 0.515 460 E N 0.472 120.680 120.200 0.013 0.000 2.250 460 E HA 0.356 4.706 4.350 -0.000 0.000 0.269 460 E C 0.337 176.922 176.600 -0.026 0.000 1.018 460 E CA -0.786 55.612 56.400 -0.004 0.000 0.873 460 E CB 0.664 30.363 29.700 -0.002 0.000 1.134 460 E HN 0.302 nan 8.360 nan 0.000 0.403 461 E N 2.532 122.709 120.200 -0.037 0.000 2.491 461 E HA -0.010 4.340 4.350 -0.000 0.000 0.250 461 E C -1.660 174.906 176.600 -0.058 0.000 1.061 461 E CA -1.161 55.216 56.400 -0.039 0.000 0.942 461 E CB 0.399 30.076 29.700 -0.038 0.000 0.957 461 E HN 0.213 nan 8.360 nan 0.000 0.480 462 P HA -0.151 nan 4.420 nan 0.000 0.213 462 P C 1.456 178.728 177.300 -0.047 0.000 1.170 462 P CA 1.225 64.297 63.100 -0.046 0.000 0.889 462 P CB 0.041 31.728 31.700 -0.022 0.000 0.782 463 S N -0.235 115.448 115.700 -0.029 0.000 2.408 463 S HA -0.224 4.246 4.470 -0.000 0.000 0.241 463 S C 2.095 176.677 174.600 -0.029 0.000 1.080 463 S CA 2.068 60.255 58.200 -0.022 0.000 1.109 463 S CB -2.031 61.159 63.200 -0.017 0.000 0.966 463 S HN -0.030 nan 8.310 nan 0.000 0.449 464 V N 1.005 120.896 119.914 -0.040 0.000 2.379 464 V HA -0.062 4.058 4.120 -0.000 0.000 0.245 464 V C 2.574 178.635 176.094 -0.056 0.000 1.044 464 V CA 1.427 63.702 62.300 -0.041 0.000 1.036 464 V CB -0.442 31.358 31.823 -0.038 0.000 0.664 464 V HN 0.464 nan 8.190 nan 0.000 0.453 465 V N 0.061 119.910 119.914 -0.109 0.000 2.427 465 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 465 V C 2.620 178.684 176.094 -0.050 0.000 1.051 465 V CA 1.866 64.073 62.300 -0.155 0.000 1.048 465 V CB -0.776 30.776 31.823 -0.452 0.000 0.666 465 V HN 0.560 nan 8.190 nan 0.000 0.456 466 A N 0.785 123.581 122.820 -0.040 0.000 1.858 466 A HA -0.305 4.014 4.320 -0.000 0.000 0.216 466 A C 2.052 179.643 177.584 0.012 0.000 1.190 466 A CA 2.313 54.350 52.037 -0.001 0.000 0.617 466 A CB -0.991 18.009 19.000 -0.001 0.000 0.827 466 A HN 0.698 nan 8.150 nan 0.000 0.443 467 N N -0.497 118.202 118.700 -0.003 0.000 2.137 467 N HA -0.205 4.535 4.740 -0.000 0.000 0.190 467 N C 1.739 177.250 175.510 0.000 0.000 1.017 467 N CA 2.870 55.919 53.050 -0.001 0.000 0.859 467 N CB -0.433 38.048 38.487 -0.011 0.000 1.002 467 N HN 0.503 nan 8.380 nan 0.000 0.428 468 T N -1.756 112.789 114.554 -0.015 0.000 2.812 468 T HA -0.033 4.317 4.350 -0.000 0.000 0.264 468 T C 1.918 176.639 174.700 0.036 0.000 1.042 468 T CA 1.384 63.454 62.100 -0.049 0.000 1.140 468 T CB -0.780 67.962 68.868 -0.210 0.000 0.870 468 T HN 0.028 nan 8.240 nan 0.000 0.445 469 V N 2.189 122.162 119.914 0.099 0.000 2.278 469 V HA -0.242 3.878 4.120 -0.000 0.000 0.251 469 V C 2.893 179.078 176.094 0.151 0.000 1.062 469 V CA 2.294 64.683 62.300 0.148 0.000 1.038 469 V CB -0.716 31.182 31.823 0.126 0.000 0.646 469 V HN 0.548 nan 8.190 nan 0.000 0.447 470 K N 0.196 120.650 120.400 0.090 0.000 2.032 470 K HA -0.156 4.164 4.320 -0.000 0.000 0.209 470 K C 2.137 178.775 176.600 0.063 0.000 1.048 470 K CA 1.632 57.959 56.287 0.067 0.000 0.927 470 K CB -0.726 31.797 32.500 0.038 0.000 0.712 470 K HN 0.592 nan 8.250 nan 0.000 0.441 471 G N 0.791 109.623 108.800 0.054 0.000 2.708 471 G HA2 -0.058 3.901 3.960 -0.000 0.000 0.210 471 G HA3 -0.058 3.901 3.960 -0.000 0.000 0.210 471 G C 0.690 175.606 174.900 0.028 0.000 1.141 471 G CA 0.575 45.693 45.100 0.030 0.000 0.788 471 G HN 0.346 nan 8.290 nan 0.000 0.531 472 G N -0.991 107.868 108.800 0.098 0.000 2.543 472 G HA2 0.505 4.464 3.960 -0.000 0.000 0.267 472 G HA3 0.505 4.464 3.960 -0.000 0.000 0.267 472 G C -1.021 173.900 174.900 0.036 0.000 1.406 472 G CA -0.481 44.642 45.100 0.037 0.000 1.048 472 G HN 0.116 nan 8.290 nan 0.000 0.548 473 D N -1.742 118.667 120.400 0.014 0.000 2.581 473 D HA 0.504 5.144 4.640 -0.000 0.000 0.232 473 D C 0.865 177.206 176.300 0.069 0.000 1.143 473 D CA 0.676 54.694 54.000 0.029 0.000 0.881 473 D CB 2.004 42.794 40.800 -0.016 0.000 1.500 473 D HN 0.818 nan 8.370 nan 0.000 0.458 474 G N 1.840 110.674 108.800 0.058 0.000 2.634 474 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.309 474 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.309 474 G C 0.421 175.377 174.900 0.094 0.000 1.265 474 G CA 0.021 45.159 45.100 0.063 0.000 0.998 474 G HN 0.579 nan 8.290 nan 0.000 0.551 475 N N 0.584 119.343 118.700 0.098 0.000 2.466 475 N HA 0.186 4.926 4.740 -0.000 0.000 0.251 475 N C -0.222 175.388 175.510 0.168 0.000 1.164 475 N CA 0.120 53.236 53.050 0.109 0.000 0.888 475 N CB 0.030 38.562 38.487 0.075 0.000 1.177 475 N HN 0.443 nan 8.380 nan 0.000 0.498 476 Y N 0.706 121.038 120.300 0.052 0.000 2.319 476 Y HA 0.520 5.070 4.550 -0.000 0.000 0.328 476 Y C 0.704 176.666 175.900 0.105 0.000 1.133 476 Y CA -0.255 57.890 58.100 0.076 0.000 1.265 476 Y CB 0.727 39.228 38.460 0.070 0.000 1.218 476 Y HN 0.140 nan 8.280 nan 0.000 0.508 477 G N 3.610 112.276 108.800 -0.224 0.000 2.550 477 G HA2 0.267 4.227 3.960 -0.000 0.000 0.293 477 G HA3 0.267 4.227 3.960 -0.000 0.000 0.293 477 G C -2.558 172.255 174.900 -0.144 0.000 1.402 477 G CA -0.950 44.068 45.100 -0.136 0.000 0.784 477 G HN 0.582 nan 8.290 nan 0.000 0.482 478 Y N 1.408 121.596 120.300 -0.188 0.000 2.330 478 Y HA 0.638 5.188 4.550 -0.000 0.000 0.336 478 Y C -0.183 175.560 175.900 -0.261 0.000 1.036 478 Y CA -1.337 56.542 58.100 -0.368 0.000 1.125 478 Y CB 1.667 39.910 38.460 -0.362 0.000 1.194 478 Y HN 0.474 nan 8.280 nan 0.000 0.469 479 N N 4.840 123.058 118.700 -0.803 0.000 2.527 479 N HA 0.248 4.988 4.740 -0.000 0.000 0.236 479 N C 0.284 175.224 175.510 -0.950 0.000 0.999 479 N CA 0.270 52.961 53.050 -0.600 0.000 0.935 479 N CB 1.226 39.487 38.487 -0.377 0.000 1.132 479 N HN 0.843 nan 8.380 nan 0.000 0.511 480 A N 3.452 125.835 122.820 -0.728 0.000 2.131 480 A HA -0.045 4.275 4.320 -0.000 0.000 0.220 480 A C 1.988 179.410 177.584 -0.270 0.000 1.158 480 A CA 1.657 53.416 52.037 -0.463 0.000 0.665 480 A CB -0.596 18.360 19.000 -0.073 0.000 0.795 480 A HN 0.738 nan 8.150 nan 0.000 0.460 481 A N -0.604 122.075 122.820 -0.235 0.000 1.969 481 A HA -0.010 4.310 4.320 -0.000 0.000 0.218 481 A C 2.190 179.684 177.584 -0.151 0.000 1.169 481 A CA 2.159 54.106 52.037 -0.150 0.000 0.635 481 A CB -0.658 18.273 19.000 -0.116 0.000 0.810 481 A HN 0.854 nan 8.150 nan 0.000 0.445 482 T N -3.324 111.103 114.554 -0.213 0.000 3.040 482 T HA 0.220 4.570 4.350 -0.000 0.000 0.266 482 T C 0.167 174.749 174.700 -0.197 0.000 1.005 482 T CA 0.651 62.650 62.100 -0.168 0.000 0.906 482 T CB -0.333 68.448 68.868 -0.145 0.000 1.082 482 T HN 0.594 nan 8.240 nan 0.000 0.531 483 E N 0.215 120.223 120.200 -0.319 0.000 2.539 483 E HA -0.222 4.128 4.350 -0.000 0.000 0.253 483 E C -0.508 175.930 176.600 -0.269 0.000 1.145 483 E CA 0.712 56.933 56.400 -0.298 0.000 0.738 483 E CB -2.212 27.487 29.700 -0.002 0.000 1.308 483 E HN 0.724 nan 8.360 nan 0.000 0.409 484 E N -0.497 119.458 120.200 -0.408 0.000 2.227 484 E HA 0.491 4.841 4.350 -0.000 0.000 0.268 484 E C -0.868 175.520 176.600 -0.354 0.000 0.907 484 E CA -0.732 55.515 56.400 -0.255 0.000 0.786 484 E CB 1.047 30.683 29.700 -0.107 0.000 1.191 484 E HN 0.101 nan 8.360 nan 0.000 0.411 485 Y N 0.504 120.794 120.300 -0.017 0.000 2.320 485 Y HA 0.689 5.239 4.550 -0.000 0.000 0.324 485 Y C 0.961 176.810 175.900 -0.084 0.000 1.190 485 Y CA 0.152 58.179 58.100 -0.121 0.000 1.215 485 Y CB 1.888 40.267 38.460 -0.135 0.000 1.221 485 Y HN 0.621 nan 8.280 nan 0.000 0.486 486 G N 1.011 109.795 108.800 -0.026 0.000 2.428 486 G HA2 0.034 3.994 3.960 -0.000 0.000 0.305 486 G HA3 0.034 3.994 3.960 -0.000 0.000 0.305 486 G C -1.878 173.112 174.900 0.150 0.000 1.260 486 G CA -1.101 44.081 45.100 0.137 0.000 0.853 486 G HN 0.519 nan 8.290 nan 0.000 0.480 487 N N 1.005 119.805 118.700 0.166 0.000 2.414 487 N HA 0.144 4.884 4.740 -0.000 0.000 0.256 487 N C 1.555 177.104 175.510 0.064 0.000 1.029 487 N CA -0.575 52.564 53.050 0.149 0.000 0.948 487 N CB 0.979 39.541 38.487 0.126 0.000 1.102 487 N HN 0.374 nan 8.380 nan 0.000 0.496 488 M N 3.505 123.131 119.600 0.042 0.000 2.202 488 M HA -0.148 4.332 4.480 -0.000 0.000 0.262 488 M C 1.632 177.936 176.300 0.007 0.000 1.063 488 M CA 1.215 56.517 55.300 0.003 0.000 1.097 488 M CB -0.480 32.120 32.600 0.000 0.000 1.382 488 M HN 0.587 nan 8.290 nan 0.000 0.413 489 I N 0.366 120.949 120.570 0.023 0.000 2.406 489 I HA -0.239 3.930 4.170 -0.000 0.000 0.249 489 I C 1.855 177.980 176.117 0.014 0.000 1.122 489 I CA 1.040 62.350 61.300 0.017 0.000 1.431 489 I CB -0.332 37.682 38.000 0.023 0.000 1.087 489 I HN 0.185 nan 8.210 nan 0.000 0.424 490 D N 0.652 121.065 120.400 0.022 0.000 2.178 490 D HA -0.126 4.513 4.640 -0.000 0.000 0.202 490 D C 2.057 178.361 176.300 0.006 0.000 0.974 490 D CA 1.306 55.316 54.000 0.018 0.000 0.841 490 D CB -0.207 40.610 40.800 0.029 0.000 0.953 490 D HN 0.347 nan 8.370 nan 0.000 0.478 491 M N -0.420 119.180 119.600 -0.001 0.000 2.659 491 M HA 0.150 4.629 4.480 -0.000 0.000 0.243 491 M C 1.090 177.374 176.300 -0.025 0.000 1.111 491 M CA 0.586 55.874 55.300 -0.020 0.000 1.070 491 M CB 0.089 32.663 32.600 -0.042 0.000 1.525 491 M HN 0.012 nan 8.290 nan 0.000 0.517 492 G N 1.835 110.627 108.800 -0.014 0.000 2.198 492 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.260 492 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.260 492 G C -0.120 174.767 174.900 -0.021 0.000 1.025 492 G CA -0.236 44.856 45.100 -0.014 0.000 0.769 492 G HN 0.431 nan 8.290 nan 0.000 0.507 493 I N 1.055 121.610 120.570 -0.025 0.000 2.479 493 I HA 0.473 4.643 4.170 -0.000 0.000 0.279 493 I C 0.235 176.343 176.117 -0.015 0.000 1.102 493 I CA -1.191 60.091 61.300 -0.029 0.000 1.196 493 I CB 0.007 37.977 38.000 -0.051 0.000 1.427 493 I HN 0.251 nan 8.210 nan 0.000 0.503 494 L N 2.058 123.277 121.223 -0.007 0.000 2.370 494 L HA 0.783 5.123 4.340 -0.000 0.000 0.266 494 L C -0.587 176.285 176.870 0.004 0.000 1.002 494 L CA -0.573 54.268 54.840 0.002 0.000 0.818 494 L CB 1.700 43.763 42.059 0.007 0.000 1.325 494 L HN -0.012 nan 8.230 nan 0.000 0.418 495 D N 1.293 121.698 120.400 0.008 0.000 2.181 495 D HA 0.508 5.147 4.640 -0.000 0.000 0.248 495 D C -2.501 173.808 176.300 0.015 0.000 1.020 495 D CA -1.399 52.607 54.000 0.010 0.000 0.891 495 D CB 1.820 42.627 40.800 0.011 0.000 1.187 495 D HN 0.397 nan 8.370 nan 0.000 0.443 496 P HA 0.089 nan 4.420 nan 0.000 0.270 496 P C 0.683 177.995 177.300 0.021 0.000 1.223 496 P CA -0.036 63.077 63.100 0.021 0.000 0.785 496 P CB 0.698 32.414 31.700 0.026 0.000 0.923 497 T N 0.643 115.210 114.554 0.021 0.000 2.851 497 T HA -0.117 4.233 4.350 -0.000 0.000 0.262 497 T C 1.651 176.364 174.700 0.022 0.000 1.043 497 T CA 1.075 63.187 62.100 0.020 0.000 1.140 497 T CB -0.371 68.508 68.868 0.018 0.000 0.872 497 T HN 0.441 nan 8.240 nan 0.000 0.446 498 K N 1.105 121.520 120.400 0.025 0.000 2.049 498 K HA -0.210 4.110 4.320 -0.000 0.000 0.219 498 K C 2.314 178.935 176.600 0.036 0.000 1.056 498 K CA 2.126 58.431 56.287 0.030 0.000 0.946 498 K CB -0.728 31.793 32.500 0.036 0.000 0.723 498 K HN 0.268 nan 8.250 nan 0.000 0.453 499 V N -0.252 119.682 119.914 0.034 0.000 2.295 499 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 499 V C 1.783 177.899 176.094 0.037 0.000 1.049 499 V CA 2.576 64.897 62.300 0.036 0.000 1.024 499 V CB -0.900 30.935 31.823 0.020 0.000 0.648 499 V HN 0.489 nan 8.190 nan 0.000 0.447 500 T N 0.606 115.176 114.554 0.028 0.000 2.759 500 T HA -0.211 4.139 4.350 -0.000 0.000 0.269 500 T C 1.909 176.626 174.700 0.029 0.000 1.042 500 T CA 2.292 64.408 62.100 0.027 0.000 1.140 500 T CB -0.388 68.493 68.868 0.022 0.000 0.864 500 T HN 0.712 nan 8.240 nan 0.000 0.455 501 R N 0.998 121.513 120.500 0.024 0.000 2.064 501 R HA -0.078 4.262 4.340 -0.000 0.000 0.228 501 R C 2.574 178.884 176.300 0.016 0.000 1.144 501 R CA 1.839 57.946 56.100 0.013 0.000 0.932 501 R CB -0.627 29.675 30.300 0.004 0.000 0.833 501 R HN 0.207 nan 8.270 nan 0.000 0.429 502 S N 1.079 116.800 115.700 0.036 0.000 2.390 502 S HA -0.319 4.151 4.470 -0.000 0.000 0.234 502 S C 2.124 176.828 174.600 0.173 0.000 1.063 502 S CA 1.793 60.052 58.200 0.098 0.000 1.108 502 S CB -0.709 62.600 63.200 0.182 0.000 0.975 502 S HN 0.638 nan 8.310 nan 0.000 0.442 503 A N 1.135 124.031 122.820 0.126 0.000 1.892 503 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 503 A C 2.169 179.812 177.584 0.097 0.000 1.188 503 A CA 1.634 53.739 52.037 0.114 0.000 0.631 503 A CB -0.808 18.230 19.000 0.063 0.000 0.822 503 A HN 0.477 nan 8.150 nan 0.000 0.447 504 L N -1.090 120.166 121.223 0.055 0.000 2.056 504 L HA -0.223 4.117 4.340 -0.000 0.000 0.207 504 L C 2.835 179.716 176.870 0.019 0.000 1.078 504 L CA 1.799 56.658 54.840 0.032 0.000 0.749 504 L CB -0.418 41.649 42.059 0.015 0.000 0.901 504 L HN 0.543 nan 8.230 nan 0.000 0.433 505 Q N -1.480 118.309 119.800 -0.019 0.000 2.083 505 Q HA -0.216 4.124 4.340 -0.000 0.000 0.198 505 Q C 2.003 177.947 176.000 -0.093 0.000 0.969 505 Q CA 1.590 57.332 55.803 -0.102 0.000 0.838 505 Q CB -0.061 28.552 28.738 -0.208 0.000 0.900 505 Q HN 0.456 nan 8.270 nan 0.000 0.436 506 Y N 0.004 120.305 120.300 0.003 0.000 2.263 506 Y HA -0.117 4.433 4.550 -0.000 0.000 0.292 506 Y C 2.301 178.203 175.900 0.003 0.000 1.130 506 Y CA 0.898 58.999 58.100 0.002 0.000 1.179 506 Y CB -0.549 37.911 38.460 -0.000 0.000 0.998 506 Y HN 0.123 nan 8.280 nan 0.000 0.532 507 A N 0.009 122.927 122.820 0.164 0.000 1.908 507 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 507 A C 2.465 180.089 177.584 0.068 0.000 1.181 507 A CA 1.996 54.088 52.037 0.092 0.000 0.627 507 A CB -1.239 17.798 19.000 0.062 0.000 0.818 507 A HN 0.390 nan 8.150 nan 0.000 0.445 508 A N -0.507 122.342 122.820 0.048 0.000 1.902 508 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 508 A C 2.482 180.083 177.584 0.027 0.000 1.181 508 A CA 2.238 54.291 52.037 0.026 0.000 0.623 508 A CB -1.044 17.959 19.000 0.006 0.000 0.818 508 A HN 0.747 nan 8.150 nan 0.000 0.443 509 S N -0.541 115.179 115.700 0.033 0.000 2.365 509 S HA -0.190 4.280 4.470 -0.000 0.000 0.221 509 S C 1.981 176.612 174.600 0.051 0.000 1.037 509 S CA 2.136 60.359 58.200 0.038 0.000 1.060 509 S CB -0.931 62.303 63.200 0.055 0.000 0.974 509 S HN 0.687 nan 8.310 nan 0.000 0.427 510 V N 2.018 121.976 119.914 0.072 0.000 2.332 510 V HA -0.085 4.035 4.120 -0.000 0.000 0.248 510 V C 2.773 178.891 176.094 0.041 0.000 1.055 510 V CA 2.311 64.645 62.300 0.057 0.000 1.038 510 V CB -1.390 30.468 31.823 0.057 0.000 0.651 510 V HN 0.680 nan 8.190 nan 0.000 0.450 511 A N 0.005 122.847 122.820 0.037 0.000 1.865 511 A HA -0.063 4.257 4.320 -0.000 0.000 0.217 511 A C 2.412 180.010 177.584 0.024 0.000 1.191 511 A CA 2.128 54.182 52.037 0.028 0.000 0.623 511 A CB -1.685 17.331 19.000 0.026 0.000 0.826 511 A HN 0.704 nan 8.150 nan 0.000 0.444 512 G N 0.192 109.005 108.800 0.022 0.000 2.764 512 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.219 512 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.219 512 G C 1.350 176.263 174.900 0.022 0.000 1.259 512 G CA 1.593 46.704 45.100 0.019 0.000 0.793 512 G HN 0.365 nan 8.290 nan 0.000 0.633 513 L N 0.379 121.617 121.223 0.026 0.000 2.054 513 L HA -0.209 4.131 4.340 -0.000 0.000 0.220 513 L C 3.103 179.989 176.870 0.027 0.000 1.081 513 L CA 1.982 56.839 54.840 0.027 0.000 0.780 513 L CB -0.737 41.341 42.059 0.032 0.000 0.893 513 L HN 0.366 nan 8.230 nan 0.000 0.438 514 M N -2.100 117.515 119.600 0.026 0.000 2.254 514 M HA -0.145 4.335 4.480 -0.000 0.000 0.265 514 M C 2.209 178.522 176.300 0.022 0.000 1.066 514 M CA 1.378 56.693 55.300 0.025 0.000 1.123 514 M CB -0.342 32.272 32.600 0.024 0.000 1.388 514 M HN 0.165 nan 8.290 nan 0.000 0.425 515 I N 0.207 120.789 120.570 0.020 0.000 2.614 515 I HA -0.159 4.011 4.170 -0.000 0.000 0.258 515 I C 1.502 177.631 176.117 0.019 0.000 1.189 515 I CA 1.092 62.402 61.300 0.017 0.000 1.462 515 I CB -0.227 37.782 38.000 0.015 0.000 1.092 515 I HN 0.308 nan 8.210 nan 0.000 0.442 516 T N -3.128 111.438 114.554 0.021 0.000 3.275 516 T HA 0.252 4.602 4.350 -0.000 0.000 0.265 516 T C 0.365 175.083 174.700 0.029 0.000 0.978 516 T CA -0.378 61.736 62.100 0.023 0.000 0.923 516 T CB -0.386 68.494 68.868 0.021 0.000 1.126 516 T HN -0.111 nan 8.240 nan 0.000 0.538 517 T N 1.887 116.460 114.554 0.031 0.000 2.829 517 T HA 0.392 4.742 4.350 -0.000 0.000 0.282 517 T C 0.465 175.194 174.700 0.048 0.000 0.990 517 T CA -0.555 61.567 62.100 0.038 0.000 1.028 517 T CB 1.713 70.602 68.868 0.034 0.000 0.951 517 T HN 0.114 nan 8.240 nan 0.000 0.460 518 E N 0.462 120.702 120.200 0.067 0.000 2.541 518 E HA 0.195 4.545 4.350 -0.000 0.000 0.219 518 E C -0.100 176.591 176.600 0.152 0.000 0.922 518 E CA 0.102 56.563 56.400 0.101 0.000 1.095 518 E CB 0.840 30.602 29.700 0.104 0.000 1.112 518 E HN 0.563 nan 8.360 nan 0.000 0.516 519 C N 0.709 120.067 119.300 0.095 0.000 2.891 519 C HA 0.660 5.120 4.460 -0.000 0.000 0.342 519 C C -1.458 173.518 174.990 -0.025 0.000 1.126 519 C CA -0.595 58.440 59.018 0.029 0.000 1.322 519 C CB 0.332 28.139 27.740 0.112 0.000 1.763 519 C HN 0.112 nan 8.230 nan 0.000 0.491 520 M N 5.166 124.721 119.600 -0.076 0.000 2.326 520 M HA 0.628 5.108 4.480 -0.000 0.000 0.306 520 M C -1.095 175.261 176.300 0.093 0.000 1.054 520 M CA -0.591 54.745 55.300 0.060 0.000 0.922 520 M CB 2.147 34.866 32.600 0.199 0.000 1.632 520 M HN 0.419 nan 8.290 nan 0.000 0.436 521 V N 1.597 121.537 119.914 0.043 0.000 2.531 521 V HA 0.795 4.915 4.120 -0.000 0.000 0.301 521 V C -0.400 175.647 176.094 -0.078 0.000 1.034 521 V CA -0.300 61.992 62.300 -0.013 0.000 0.865 521 V CB 2.150 33.956 31.823 -0.028 0.000 0.995 521 V HN 0.965 nan 8.190 nan 0.000 0.424 522 T N 2.359 116.822 114.554 -0.151 0.000 2.769 522 T HA 0.370 4.720 4.350 -0.000 0.000 0.306 522 T C -1.336 173.246 174.700 -0.197 0.000 1.400 522 T CA -0.579 61.379 62.100 -0.236 0.000 1.007 522 T CB 1.772 70.350 68.868 -0.482 0.000 1.392 522 T HN 0.640 nan 8.240 nan 0.000 0.500 523 D N 1.443 121.741 120.400 -0.171 0.000 2.400 523 D HA 0.286 4.926 4.640 -0.000 0.000 0.238 523 D C 0.235 176.464 176.300 -0.120 0.000 1.157 523 D CA 0.160 54.088 54.000 -0.119 0.000 0.889 523 D CB 0.370 41.117 40.800 -0.089 0.000 1.199 523 D HN 0.381 nan 8.370 nan 0.000 0.436 524 L N 3.628 124.811 121.223 -0.067 0.000 2.499 524 L HA 0.134 4.474 4.340 -0.000 0.000 0.273 524 L C -1.217 175.626 176.870 -0.043 0.000 1.195 524 L CA -1.489 53.326 54.840 -0.042 0.000 0.882 524 L CB -0.082 41.964 42.059 -0.021 0.000 1.133 524 L HN 0.411 nan 8.230 nan 0.000 0.483 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.086 63.100 -0.024 0.000 0.800 525 P CB 0.000 31.700 31.700 -0.000 0.000 0.726