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 3fbh_1_C 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 QNKDQNVGIK 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 0.000 177.583 177.584 -0.002 0.000 1.274 2 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 2 A CB 0.000 18.993 19.000 -0.011 0.000 0.831 3 A N 2.282 125.103 122.820 0.002 0.000 2.540 3 A HA 0.527 4.847 4.320 -0.000 0.000 0.239 3 A C 0.129 177.716 177.584 0.005 0.000 1.061 3 A CA 0.411 52.453 52.037 0.008 0.000 0.758 3 A CB -0.013 18.994 19.000 0.012 0.000 0.991 3 A HN 0.569 nan 8.150 nan 0.000 0.502 4 K N 2.067 122.476 120.400 0.014 0.000 2.270 4 K HA 0.302 4.622 4.320 -0.000 0.000 0.255 4 K C -1.306 175.320 176.600 0.043 0.000 0.936 4 K CA -0.658 55.636 56.287 0.012 0.000 0.809 4 K CB 1.979 34.484 32.500 0.009 0.000 1.131 4 K HN 0.749 nan 8.250 nan 0.000 0.427 5 D N 2.291 122.725 120.400 0.056 0.000 2.313 5 D HA 0.206 4.846 4.640 -0.000 0.000 0.239 5 D C -0.860 175.590 176.300 0.249 0.000 1.142 5 D CA -0.451 53.641 54.000 0.153 0.000 0.847 5 D CB 0.820 41.748 40.800 0.214 0.000 1.082 5 D HN 0.068 nan 8.370 nan 0.000 0.480 6 V N 4.671 124.686 119.914 0.168 0.000 2.435 6 V HA 0.439 4.559 4.120 -0.000 0.000 0.290 6 V C 0.352 176.387 176.094 -0.098 0.000 1.030 6 V CA -0.740 61.585 62.300 0.041 0.000 0.881 6 V CB 1.529 33.332 31.823 -0.033 0.000 0.983 6 V HN 0.395 nan 8.190 nan 0.000 0.445 7 K N 3.622 123.841 120.400 -0.302 0.000 2.316 7 K HA 0.730 5.050 4.320 -0.000 0.000 0.251 7 K C -1.541 174.749 176.600 -0.518 0.000 0.934 7 K CA -0.451 55.595 56.287 -0.402 0.000 0.802 7 K CB 2.336 34.433 32.500 -0.673 0.000 1.171 7 K HN 0.462 nan 8.250 nan 0.000 0.426 8 F N 0.044 119.951 119.950 -0.071 0.000 2.579 8 F HA 0.450 4.977 4.527 -0.000 0.000 0.324 8 F C 1.281 177.056 175.800 -0.041 0.000 1.058 8 F CA 0.073 58.053 58.000 -0.034 0.000 0.944 8 F CB 1.701 40.690 39.000 -0.020 0.000 1.245 8 F HN 0.816 nan 8.300 nan 0.000 0.477 9 G N 1.781 110.682 108.800 0.168 0.000 2.634 9 G HA2 -0.433 3.527 3.960 -0.000 0.000 0.309 9 G HA3 -0.433 3.527 3.960 -0.000 0.000 0.309 9 G C 1.215 176.135 174.900 0.035 0.000 1.265 9 G CA 0.797 45.950 45.100 0.088 0.000 0.998 9 G HN 0.772 nan 8.290 nan 0.000 0.551 10 N N 0.528 119.242 118.700 0.023 0.000 2.043 10 N HA -0.173 4.567 4.740 -0.000 0.000 0.193 10 N C 1.901 177.401 175.510 -0.017 0.000 1.037 10 N CA 2.279 55.331 53.050 0.004 0.000 0.851 10 N CB -0.408 38.081 38.487 0.003 0.000 1.027 10 N HN 0.569 nan 8.380 nan 0.000 0.422 11 D N 0.357 120.742 120.400 -0.025 0.000 2.192 11 D HA -0.184 4.456 4.640 -0.000 0.000 0.189 11 D C 1.732 177.960 176.300 -0.120 0.000 1.007 11 D CA 1.949 55.909 54.000 -0.067 0.000 0.859 11 D CB -0.410 40.348 40.800 -0.069 0.000 0.936 11 D HN 0.427 nan 8.370 nan 0.000 0.447 12 A N 0.063 122.808 122.820 -0.125 0.000 1.897 12 A HA -0.118 4.202 4.320 -0.000 0.000 0.215 12 A C 2.301 179.851 177.584 -0.057 0.000 1.181 12 A CA 1.380 53.326 52.037 -0.152 0.000 0.620 12 A CB -0.377 18.544 19.000 -0.130 0.000 0.821 12 A HN 0.216 nan 8.150 nan 0.000 0.443 13 R N -0.126 120.358 120.500 -0.028 0.000 2.070 13 R HA -0.138 4.202 4.340 -0.000 0.000 0.233 13 R C 2.117 178.414 176.300 -0.005 0.000 1.137 13 R CA 1.802 57.899 56.100 -0.005 0.000 0.945 13 R CB -1.014 29.288 30.300 0.003 0.000 0.845 13 R HN 0.582 nan 8.270 nan 0.000 0.430 14 V N -0.098 119.806 119.914 -0.016 0.000 2.660 14 V HA -0.206 3.914 4.120 -0.000 0.000 0.257 14 V C 1.807 177.896 176.094 -0.008 0.000 1.088 14 V CA 1.624 63.916 62.300 -0.013 0.000 1.106 14 V CB -0.427 31.384 31.823 -0.019 0.000 0.686 14 V HN 0.131 nan 8.190 nan 0.000 0.481 15 K N -0.383 120.010 120.400 -0.012 0.000 2.186 15 K HA 0.218 4.538 4.320 -0.000 0.000 0.202 15 K C 2.109 178.739 176.600 0.050 0.000 1.052 15 K CA 1.396 57.695 56.287 0.021 0.000 0.965 15 K CB -0.239 32.276 32.500 0.025 0.000 0.746 15 K HN 0.519 nan 8.250 nan 0.000 0.457 16 M N 0.303 119.930 119.600 0.045 0.000 2.099 16 M HA -0.149 4.331 4.480 -0.000 0.000 0.262 16 M C 2.160 178.477 176.300 0.028 0.000 1.067 16 M CA 1.095 56.422 55.300 0.045 0.000 1.124 16 M CB -0.279 32.345 32.600 0.040 0.000 1.353 16 M HN -0.002 nan 8.290 nan 0.000 0.410 17 L N 0.479 121.714 121.223 0.020 0.000 2.042 17 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 17 L C 2.423 179.301 176.870 0.014 0.000 1.076 17 L CA 1.881 56.730 54.840 0.015 0.000 0.749 17 L CB -0.654 41.411 42.059 0.010 0.000 0.893 17 L HN 0.147 nan 8.230 nan 0.000 0.432 18 R N -0.273 120.236 120.500 0.016 0.000 2.091 18 R HA -0.110 4.230 4.340 -0.000 0.000 0.238 18 R C 2.181 178.492 176.300 0.018 0.000 1.136 18 R CA 1.681 57.791 56.100 0.016 0.000 0.959 18 R CB -1.206 29.105 30.300 0.018 0.000 0.856 18 R HN 0.490 nan 8.270 nan 0.000 0.437 19 G N -0.251 108.564 108.800 0.024 0.000 2.453 19 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.215 19 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.215 19 G C 1.443 176.351 174.900 0.012 0.000 1.201 19 G CA 1.304 46.416 45.100 0.020 0.000 0.784 19 G HN 0.369 nan 8.290 nan 0.000 0.545 20 V N -0.339 119.583 119.914 0.013 0.000 2.594 20 V HA -0.143 3.977 4.120 -0.000 0.000 0.253 20 V C 2.184 178.283 176.094 0.007 0.000 1.069 20 V CA 2.248 64.554 62.300 0.009 0.000 1.082 20 V CB -0.591 31.238 31.823 0.011 0.000 0.680 20 V HN 0.214 nan 8.190 nan 0.000 0.469 21 N N 0.781 119.486 118.700 0.008 0.000 2.331 21 N HA -0.028 4.712 4.740 -0.000 0.000 0.180 21 N C 1.712 177.224 175.510 0.004 0.000 1.019 21 N CA 1.626 54.680 53.050 0.006 0.000 0.881 21 N CB -0.129 38.362 38.487 0.007 0.000 0.972 21 N HN 0.556 nan 8.380 nan 0.000 0.435 22 V N 1.438 121.354 119.914 0.004 0.000 2.239 22 V HA -0.151 3.969 4.120 -0.000 0.000 0.242 22 V C 2.397 178.491 176.094 0.000 0.000 1.038 22 V CA 0.883 63.184 62.300 0.002 0.000 1.002 22 V CB -0.860 30.965 31.823 0.003 0.000 0.641 22 V HN 0.142 nan 8.190 nan 0.000 0.449 23 L N 1.336 122.558 121.223 -0.000 0.000 1.987 23 L HA -0.291 4.049 4.340 -0.000 0.000 0.230 23 L C 2.491 179.359 176.870 -0.002 0.000 1.089 23 L CA 2.878 57.716 54.840 -0.003 0.000 0.802 23 L CB -1.376 40.681 42.059 -0.003 0.000 0.905 23 L HN 0.279 nan 8.230 nan 0.000 0.441 24 A N -0.870 121.951 122.820 0.000 0.000 1.869 24 A HA -0.310 4.010 4.320 -0.000 0.000 0.218 24 A C 1.978 179.563 177.584 0.001 0.000 1.203 24 A CA 2.387 54.425 52.037 0.002 0.000 0.638 24 A CB -1.276 17.727 19.000 0.004 0.000 0.831 24 A HN 0.679 nan 8.150 nan 0.000 0.450 25 D N -0.350 120.051 120.400 0.001 0.000 2.264 25 D HA 0.083 4.723 4.640 -0.000 0.000 0.208 25 D C 2.047 178.346 176.300 -0.000 0.000 0.966 25 D CA 1.193 55.194 54.000 0.001 0.000 0.864 25 D CB -0.363 40.438 40.800 0.002 0.000 0.933 25 D HN 0.473 nan 8.370 nan 0.000 0.499 26 A N 0.121 122.940 122.820 -0.002 0.000 1.969 26 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 26 A C 2.218 179.799 177.584 -0.004 0.000 1.169 26 A CA 1.023 53.058 52.037 -0.003 0.000 0.635 26 A CB -0.123 18.874 19.000 -0.005 0.000 0.810 26 A HN 0.186 nan 8.150 nan 0.000 0.445 27 V N 0.089 120.000 119.914 -0.004 0.000 3.523 27 V HA -0.056 4.064 4.120 -0.000 0.000 0.255 27 V C 2.113 178.205 176.094 -0.003 0.000 1.226 27 V CA 1.353 63.650 62.300 -0.005 0.000 1.092 27 V CB -0.113 31.707 31.823 -0.006 0.000 0.817 27 V HN 0.794 nan 8.190 nan 0.000 0.458 28 K N 1.561 121.960 120.400 -0.001 0.000 2.432 28 K HA -0.005 4.315 4.320 -0.000 0.000 0.196 28 K C 1.647 178.248 176.600 0.001 0.000 1.038 28 K CA 1.386 57.674 56.287 0.001 0.000 0.986 28 K CB -0.214 32.287 32.500 0.003 0.000 0.782 28 K HN 0.443 nan 8.250 nan 0.000 0.485 29 V N -0.465 119.449 119.914 -0.000 0.000 3.041 29 V HA -0.103 4.017 4.120 -0.000 0.000 0.260 29 V C 2.166 178.260 176.094 -0.001 0.000 1.105 29 V CA 1.460 63.760 62.300 -0.000 0.000 1.125 29 V CB -0.789 31.033 31.823 -0.001 0.000 0.730 29 V HN 0.507 nan 8.190 nan 0.000 0.479 30 T N -2.243 112.309 114.554 -0.003 0.000 3.065 30 T HA 0.233 4.583 4.350 -0.000 0.000 0.252 30 T C 0.614 175.312 174.700 -0.004 0.000 1.099 30 T CA -0.042 62.056 62.100 -0.004 0.000 1.063 30 T CB -0.174 68.690 68.868 -0.006 0.000 0.948 30 T HN 0.327 nan 8.240 nan 0.000 0.506 31 L N 2.449 123.670 121.223 -0.002 0.000 2.416 31 L HA 0.546 4.886 4.340 -0.000 0.000 0.272 31 L C 0.796 177.665 176.870 -0.002 0.000 1.161 31 L CA 1.642 56.481 54.840 -0.002 0.000 0.845 31 L CB -0.238 41.821 42.059 0.001 0.000 1.119 31 L HN 0.722 nan 8.230 nan 0.000 0.464 32 G N 3.897 112.694 108.800 -0.006 0.000 2.663 32 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.686 32 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.686 32 G C -2.194 172.697 174.900 -0.015 0.000 1.288 32 G CA -0.404 44.691 45.100 -0.009 0.000 0.836 32 G HN 0.498 nan 8.290 nan 0.000 0.584 33 P HA 0.111 nan 4.420 nan 0.000 0.223 33 P C 0.920 178.208 177.300 -0.021 0.000 1.151 33 P CA 1.030 64.113 63.100 -0.029 0.000 0.787 33 P CB 0.203 31.875 31.700 -0.046 0.000 0.788 34 K N 0.349 120.740 120.400 -0.014 0.000 2.965 34 K HA 0.307 4.627 4.320 -0.000 0.000 0.216 34 K C 0.825 177.423 176.600 -0.003 0.000 1.164 34 K CA -0.168 56.114 56.287 -0.007 0.000 1.153 34 K CB 0.405 32.904 32.500 -0.001 0.000 1.045 34 K HN 0.047 nan 8.250 nan 0.000 0.460 35 G N 1.002 109.799 108.800 -0.006 0.000 2.667 35 G HA2 0.126 4.086 3.960 -0.000 0.000 0.250 35 G HA3 0.126 4.086 3.960 -0.000 0.000 0.250 35 G C -0.063 174.835 174.900 -0.003 0.000 1.212 35 G CA -0.424 44.673 45.100 -0.004 0.000 0.874 35 G HN 0.153 nan 8.290 nan 0.000 0.561 36 R N 0.085 120.583 120.500 -0.003 0.000 2.637 36 R HA 0.219 4.559 4.340 -0.000 0.000 0.291 36 R C -0.291 176.007 176.300 -0.003 0.000 0.963 36 R CA -0.879 55.220 56.100 -0.002 0.000 0.901 36 R CB 1.246 31.545 30.300 -0.001 0.000 1.160 36 R HN 0.643 nan 8.270 nan 0.000 0.457 37 N N 0.085 118.783 118.700 -0.003 0.000 2.492 37 N HA 0.117 4.857 4.740 -0.000 0.000 0.262 37 N C -0.639 174.869 175.510 -0.004 0.000 1.202 37 N CA 0.147 53.195 53.050 -0.004 0.000 0.926 37 N CB 0.812 39.297 38.487 -0.003 0.000 1.078 37 N HN 0.133 nan 8.380 nan 0.000 0.454 38 V N 2.599 122.510 119.914 -0.004 0.000 2.495 38 V HA 0.292 4.412 4.120 -0.000 0.000 0.298 38 V C -0.236 175.855 176.094 -0.005 0.000 1.031 38 V CA -0.833 61.464 62.300 -0.005 0.000 0.871 38 V CB 1.813 33.633 31.823 -0.006 0.000 0.988 38 V HN 0.316 nan 8.190 nan 0.000 0.432 39 V N 6.612 126.523 119.914 -0.005 0.000 2.348 39 V HA 0.392 4.512 4.120 -0.000 0.000 0.270 39 V C -0.112 175.978 176.094 -0.006 0.000 1.037 39 V CA -0.315 61.982 62.300 -0.005 0.000 0.872 39 V CB 1.039 32.859 31.823 -0.004 0.000 1.002 39 V HN 0.610 nan 8.190 nan 0.000 0.464 40 L N 4.037 125.257 121.223 -0.005 0.000 2.262 40 L HA 0.467 4.807 4.340 -0.000 0.000 0.288 40 L C -0.021 176.845 176.870 -0.006 0.000 1.035 40 L CA -0.506 54.330 54.840 -0.007 0.000 0.820 40 L CB 1.260 43.315 42.059 -0.006 0.000 1.204 40 L HN 0.498 nan 8.230 nan 0.000 0.424 41 D N 3.791 124.184 120.400 -0.011 0.000 2.383 41 D HA 0.126 4.766 4.640 -0.000 0.000 0.252 41 D C -0.378 175.913 176.300 -0.016 0.000 1.166 41 D CA 0.174 54.165 54.000 -0.015 0.000 0.879 41 D CB 0.786 41.571 40.800 -0.025 0.000 1.164 41 D HN 0.303 nan 8.370 nan 0.000 0.462 42 K N 1.556 121.952 120.400 -0.007 0.000 2.185 42 K HA 0.180 4.500 4.320 -0.000 0.000 0.269 42 K C 1.269 177.844 176.600 -0.041 0.000 0.987 42 K CA -0.479 55.810 56.287 0.003 0.000 0.865 42 K CB 1.439 33.967 32.500 0.047 0.000 1.090 42 K HN 0.401 nan 8.250 nan 0.000 0.450 43 S N 2.226 117.857 115.700 -0.115 0.000 2.440 43 S HA -0.115 4.355 4.470 -0.000 0.000 0.238 43 S C 0.343 174.671 174.600 -0.452 0.000 1.010 43 S CA 0.851 58.855 58.200 -0.327 0.000 0.972 43 S CB -0.283 62.621 63.200 -0.493 0.000 0.774 43 S HN 0.406 nan 8.310 nan 0.000 0.501 44 F N 1.764 121.711 119.950 -0.005 0.000 2.482 44 F HA 0.669 5.196 4.527 -0.000 0.000 0.331 44 F C 1.263 177.061 175.800 -0.004 0.000 1.115 44 F CA -0.075 57.923 58.000 -0.004 0.000 0.955 44 F CB 1.405 40.403 39.000 -0.004 0.000 1.136 44 F HN 0.375 nan 8.300 nan 0.000 0.452 45 G N 1.497 110.399 108.800 0.171 0.000 2.547 45 G HA2 0.042 4.002 3.960 -0.000 0.000 0.271 45 G HA3 0.042 4.002 3.960 -0.000 0.000 0.271 45 G C -0.343 174.590 174.900 0.055 0.000 1.209 45 G CA -0.425 44.734 45.100 0.097 0.000 0.959 45 G HN 1.159 nan 8.290 nan 0.000 0.563 46 A N 1.195 124.041 122.820 0.042 0.000 2.322 46 A HA 0.763 5.083 4.320 -0.000 0.000 0.269 46 A C -1.869 175.729 177.584 0.023 0.000 1.094 46 A CA -0.279 51.773 52.037 0.025 0.000 0.807 46 A CB 0.417 19.428 19.000 0.019 0.000 1.047 46 A HN 0.694 nan 8.150 nan 0.000 0.487 47 P HA 0.371 nan 4.420 nan 0.000 0.284 47 P C -0.540 176.764 177.300 0.008 0.000 1.253 47 P CA -0.187 62.918 63.100 0.008 0.000 0.800 47 P CB 0.968 32.668 31.700 0.000 0.000 0.961 48 T N 2.994 117.553 114.554 0.007 0.000 2.884 48 T HA 0.374 4.724 4.350 -0.000 0.000 0.298 48 T C 0.525 175.226 174.700 0.001 0.000 0.998 48 T CA -0.084 62.019 62.100 0.005 0.000 1.124 48 T CB -0.105 68.766 68.868 0.005 0.000 0.931 48 T HN 0.184 nan 8.240 nan 0.000 0.531 49 I N 2.504 123.074 120.570 0.000 0.000 2.336 49 I HA 0.497 4.667 4.170 -0.000 0.000 0.292 49 I C 0.578 176.693 176.117 -0.003 0.000 0.991 49 I CA -0.384 60.916 61.300 -0.001 0.000 1.227 49 I CB 1.659 39.658 38.000 -0.001 0.000 1.366 49 I HN 0.527 nan 8.210 nan 0.000 0.466 50 T N 4.331 118.882 114.554 -0.004 0.000 2.900 50 T HA 0.424 4.774 4.350 -0.000 0.000 0.303 50 T C -0.108 174.588 174.700 -0.006 0.000 1.142 50 T CA -0.655 61.441 62.100 -0.006 0.000 1.007 50 T CB 1.433 70.297 68.868 -0.007 0.000 1.156 50 T HN 0.665 nan 8.240 nan 0.000 0.490 51 K N 1.684 122.080 120.400 -0.007 0.000 2.506 51 K HA 0.221 4.541 4.320 -0.000 0.000 0.204 51 K C -0.731 175.863 176.600 -0.009 0.000 1.045 51 K CA -0.367 55.915 56.287 -0.008 0.000 1.074 51 K CB 0.553 33.048 32.500 -0.008 0.000 0.842 51 K HN 0.422 nan 8.250 nan 0.000 0.514 52 D N -0.003 120.391 120.400 -0.011 0.000 2.274 52 D HA 0.125 4.765 4.640 -0.000 0.000 0.239 52 D C 1.171 177.463 176.300 -0.014 0.000 1.104 52 D CA -0.235 53.757 54.000 -0.013 0.000 0.840 52 D CB 1.451 42.242 40.800 -0.015 0.000 1.100 52 D HN 0.168 nan 8.370 nan 0.000 0.477 53 G N 2.387 111.179 108.800 -0.014 0.000 2.470 53 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.220 53 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.220 53 G C 1.299 176.188 174.900 -0.018 0.000 1.121 53 G CA 0.740 45.832 45.100 -0.014 0.000 0.766 53 G HN 0.473 nan 8.290 nan 0.000 0.553 54 V N 0.786 120.687 119.914 -0.022 0.000 2.446 54 V HA -0.106 4.014 4.120 -0.000 0.000 0.244 54 V C 2.978 179.058 176.094 -0.025 0.000 1.039 54 V CA 1.871 64.154 62.300 -0.027 0.000 1.045 54 V CB -0.463 31.340 31.823 -0.034 0.000 0.681 54 V HN 0.325 nan 8.190 nan 0.000 0.459 55 S N 0.683 116.370 115.700 -0.021 0.000 2.359 55 S HA -0.183 4.287 4.470 -0.000 0.000 0.224 55 S C 2.052 176.642 174.600 -0.017 0.000 1.035 55 S CA 1.702 59.891 58.200 -0.018 0.000 1.018 55 S CB -0.346 62.845 63.200 -0.015 0.000 0.876 55 S HN 0.392 nan 8.310 nan 0.000 0.448 56 V N 1.944 121.849 119.914 -0.015 0.000 2.358 56 V HA -0.128 3.992 4.120 -0.000 0.000 0.246 56 V C 2.595 178.680 176.094 -0.015 0.000 1.047 56 V CA 1.615 63.907 62.300 -0.013 0.000 1.035 56 V CB -1.201 30.615 31.823 -0.011 0.000 0.658 56 V HN 0.551 nan 8.190 nan 0.000 0.452 57 A N -0.604 122.205 122.820 -0.018 0.000 2.119 57 A HA -0.140 4.179 4.320 -0.000 0.000 0.217 57 A C 2.387 179.957 177.584 -0.023 0.000 1.153 57 A CA 1.295 53.321 52.037 -0.020 0.000 0.692 57 A CB -0.482 18.505 19.000 -0.022 0.000 0.799 57 A HN 0.453 nan 8.150 nan 0.000 0.458 58 R N -0.259 120.227 120.500 -0.024 0.000 2.057 58 R HA -0.066 4.274 4.340 -0.000 0.000 0.229 58 R C 1.402 177.688 176.300 -0.023 0.000 1.136 58 R CA 1.260 57.344 56.100 -0.026 0.000 0.952 58 R CB -0.127 30.157 30.300 -0.027 0.000 0.848 58 R HN 0.412 nan 8.270 nan 0.000 0.430 59 E N 0.539 120.728 120.200 -0.020 0.000 2.472 59 E HA -0.065 4.285 4.350 -0.000 0.000 0.200 59 E C 0.231 176.821 176.600 -0.017 0.000 1.046 59 E CA 0.306 56.696 56.400 -0.017 0.000 0.871 59 E CB 0.097 29.788 29.700 -0.015 0.000 0.806 59 E HN 0.271 nan 8.360 nan 0.000 0.533 60 I N 1.978 122.538 120.570 -0.017 0.000 2.517 60 I HA 0.079 4.249 4.170 -0.000 0.000 0.285 60 I C 0.404 176.511 176.117 -0.016 0.000 1.106 60 I CA 0.466 61.757 61.300 -0.015 0.000 1.402 60 I CB 0.145 38.137 38.000 -0.013 0.000 1.399 60 I HN -0.025 nan 8.210 nan 0.000 0.535 61 E N 6.871 127.062 120.200 -0.015 0.000 2.347 61 E HA 0.463 4.813 4.350 -0.000 0.000 0.285 61 E C -1.824 174.768 176.600 -0.014 0.000 0.925 61 E CA -0.594 55.796 56.400 -0.016 0.000 0.779 61 E CB 1.899 31.588 29.700 -0.018 0.000 1.233 61 E HN 0.445 nan 8.360 nan 0.000 0.414 62 L N 3.304 124.520 121.223 -0.012 0.000 2.358 62 L HA 0.395 4.735 4.340 -0.000 0.000 0.268 62 L C 1.462 178.326 176.870 -0.010 0.000 1.032 62 L CA -0.335 54.501 54.840 -0.007 0.000 0.805 62 L CB 1.481 43.541 42.059 0.001 0.000 1.253 62 L HN 0.762 nan 8.230 nan 0.000 0.452 63 E N 0.282 120.479 120.200 -0.005 0.000 2.042 63 E HA -0.129 4.221 4.350 -0.000 0.000 0.189 63 E C 0.374 176.974 176.600 -0.000 0.000 0.974 63 E CA 0.162 56.558 56.400 -0.005 0.000 0.806 63 E CB 0.246 29.945 29.700 -0.001 0.000 0.769 63 E HN 0.624 nan 8.360 nan 0.000 0.451 64 D N 1.033 121.444 120.400 0.017 0.000 2.472 64 D HA -0.086 4.554 4.640 -0.000 0.000 0.248 64 D C 0.782 177.096 176.300 0.024 0.000 1.174 64 D CA 0.075 54.101 54.000 0.044 0.000 0.883 64 D CB 0.885 41.727 40.800 0.070 0.000 1.149 64 D HN 0.027 nan 8.370 nan 0.000 0.488 65 K N 3.669 124.058 120.400 -0.018 0.000 2.032 65 K HA -0.161 4.159 4.320 -0.000 0.000 0.209 65 K C 1.947 178.431 176.600 -0.193 0.000 1.048 65 K CA 1.191 57.383 56.287 -0.158 0.000 0.927 65 K CB -0.416 31.897 32.500 -0.311 0.000 0.712 65 K HN 0.510 nan 8.250 nan 0.000 0.441 66 F N 1.708 121.643 119.950 -0.024 0.000 2.146 66 F HA -0.089 4.438 4.527 -0.000 0.000 0.298 66 F C 2.342 178.129 175.800 -0.022 0.000 1.096 66 F CA 1.105 59.088 58.000 -0.028 0.000 1.275 66 F CB -0.370 38.611 39.000 -0.032 0.000 1.008 66 F HN 0.137 nan 8.300 nan 0.000 0.480 67 E N 0.041 120.339 120.200 0.164 0.000 2.051 67 E HA -0.244 4.106 4.350 -0.000 0.000 0.192 67 E C 1.822 178.446 176.600 0.040 0.000 0.991 67 E CA 1.326 57.775 56.400 0.082 0.000 0.799 67 E CB -0.397 29.340 29.700 0.060 0.000 0.748 67 E HN 0.291 nan 8.360 nan 0.000 0.449 68 N N 0.880 119.590 118.700 0.016 0.000 2.011 68 N HA -0.219 4.521 4.740 -0.000 0.000 0.199 68 N C 1.779 177.280 175.510 -0.016 0.000 1.047 68 N CA 1.762 54.805 53.050 -0.011 0.000 0.863 68 N CB -0.123 38.343 38.487 -0.035 0.000 1.056 68 N HN 0.067 nan 8.380 nan 0.000 0.427 69 M N -0.587 118.996 119.600 -0.030 0.000 2.089 69 M HA -0.159 4.321 4.480 -0.000 0.000 0.257 69 M C 2.223 178.524 176.300 0.001 0.000 1.071 69 M CA 1.990 57.274 55.300 -0.028 0.000 1.096 69 M CB -0.874 31.698 32.600 -0.047 0.000 1.330 69 M HN 0.367 nan 8.290 nan 0.000 0.403 70 G N -0.295 108.520 108.800 0.025 0.000 2.476 70 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.218 70 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.218 70 G C 1.576 176.483 174.900 0.012 0.000 1.164 70 G CA 1.181 46.297 45.100 0.026 0.000 0.768 70 G HN 0.586 nan 8.290 nan 0.000 0.560 71 A N -0.709 122.116 122.820 0.007 0.000 2.016 71 A HA 0.104 4.424 4.320 -0.000 0.000 0.217 71 A C 2.342 179.921 177.584 -0.008 0.000 1.162 71 A CA 1.419 53.456 52.037 0.000 0.000 0.662 71 A CB -0.118 18.882 19.000 -0.000 0.000 0.812 71 A HN 0.306 nan 8.150 nan 0.000 0.450 72 Q N -0.780 119.012 119.800 -0.012 0.000 2.331 72 Q HA 0.078 4.418 4.340 -0.000 0.000 0.203 72 Q C 1.967 177.955 176.000 -0.020 0.000 0.944 72 Q CA 0.728 56.519 55.803 -0.019 0.000 0.892 72 Q CB -0.307 28.417 28.738 -0.024 0.000 0.983 72 Q HN 0.744 nan 8.270 nan 0.000 0.482 73 M N 0.217 119.810 119.600 -0.013 0.000 2.059 73 M HA -0.168 4.312 4.480 -0.000 0.000 0.259 73 M C 2.290 178.582 176.300 -0.012 0.000 1.072 73 M CA 1.806 57.100 55.300 -0.010 0.000 1.117 73 M CB -0.448 32.152 32.600 0.000 0.000 1.320 73 M HN 0.155 nan 8.290 nan 0.000 0.408 74 V N -1.458 118.452 119.914 -0.007 0.000 2.515 74 V HA -0.216 3.904 4.120 -0.000 0.000 0.250 74 V C 2.093 178.173 176.094 -0.024 0.000 1.058 74 V CA 1.980 64.274 62.300 -0.009 0.000 1.064 74 V CB -1.102 30.721 31.823 0.000 0.000 0.675 74 V HN 0.486 nan 8.190 nan 0.000 0.461 75 K N 0.363 120.748 120.400 -0.025 0.000 2.147 75 K HA -0.225 4.095 4.320 -0.000 0.000 0.205 75 K C 2.303 178.873 176.600 -0.049 0.000 1.049 75 K CA 1.822 58.089 56.287 -0.033 0.000 0.936 75 K CB -0.132 32.352 32.500 -0.028 0.000 0.722 75 K HN 0.732 nan 8.250 nan 0.000 0.446 76 E N 0.148 120.318 120.200 -0.050 0.000 2.076 76 E HA -0.096 4.254 4.350 -0.000 0.000 0.190 76 E C 1.713 178.249 176.600 -0.107 0.000 0.979 76 E CA 0.836 57.197 56.400 -0.066 0.000 0.807 76 E CB 0.296 29.966 29.700 -0.050 0.000 0.761 76 E HN 0.137 nan 8.360 nan 0.000 0.454 77 V N 0.964 120.817 119.914 -0.101 0.000 2.970 77 V HA -0.078 4.042 4.120 -0.000 0.000 0.260 77 V C 2.038 177.989 176.094 -0.238 0.000 1.100 77 V CA 1.383 63.583 62.300 -0.167 0.000 1.122 77 V CB -0.081 31.706 31.823 -0.061 0.000 0.721 77 V HN 0.313 nan 8.190 nan 0.000 0.483 78 A N 0.250 122.988 122.820 -0.137 0.000 2.275 78 A HA 0.078 4.398 4.320 -0.000 0.000 0.212 78 A C 2.219 179.732 177.584 -0.119 0.000 1.201 78 A CA 0.886 52.858 52.037 -0.108 0.000 0.843 78 A CB -0.184 18.789 19.000 -0.045 0.000 0.873 78 A HN 0.597 nan 8.150 nan 0.000 0.492 79 S N -0.491 115.123 115.700 -0.143 0.000 2.524 79 S HA 0.067 4.537 4.470 -0.000 0.000 0.216 79 S C 1.438 175.937 174.600 -0.169 0.000 0.987 79 S CA 0.468 58.593 58.200 -0.124 0.000 0.909 79 S CB -0.143 63.001 63.200 -0.093 0.000 0.781 79 S HN 0.515 nan 8.310 nan 0.000 0.521 80 K N 1.119 121.337 120.400 -0.304 0.000 2.366 80 K HA 0.281 4.601 4.320 -0.000 0.000 0.198 80 K C 2.013 178.420 176.600 -0.321 0.000 1.044 80 K CA 0.772 56.810 56.287 -0.414 0.000 0.973 80 K CB -0.145 31.848 32.500 -0.846 0.000 0.767 80 K HN 0.504 nan 8.250 nan 0.000 0.475 81 A N 0.817 123.499 122.820 -0.230 0.000 2.044 81 A HA -0.029 4.291 4.320 -0.000 0.000 0.213 81 A C 1.696 179.293 177.584 0.021 0.000 1.169 81 A CA 0.874 52.931 52.037 0.033 0.000 0.724 81 A CB -0.233 18.830 19.000 0.104 0.000 0.840 81 A HN 0.231 nan 8.150 nan 0.000 0.463 82 N N -0.297 118.380 118.700 -0.037 0.000 2.376 82 N HA -0.083 4.657 4.740 -0.000 0.000 0.177 82 N C 1.001 176.474 175.510 -0.061 0.000 1.024 82 N CA 0.897 53.919 53.050 -0.047 0.000 0.893 82 N CB 0.070 38.519 38.487 -0.064 0.000 0.980 82 N HN 0.284 nan 8.380 nan 0.000 0.439 83 D N 0.096 120.466 120.400 -0.050 0.000 2.097 83 D HA -0.077 4.563 4.640 -0.000 0.000 0.197 83 D C 1.586 177.908 176.300 0.036 0.000 0.984 83 D CA 1.219 55.200 54.000 -0.032 0.000 0.826 83 D CB -0.293 40.483 40.800 -0.041 0.000 0.973 83 D HN 0.360 nan 8.370 nan 0.000 0.460 84 A N -0.135 122.725 122.820 0.066 0.000 2.072 84 A HA 0.366 4.686 4.320 -0.000 0.000 0.216 84 A C 1.923 179.582 177.584 0.125 0.000 1.156 84 A CA 1.440 53.541 52.037 0.108 0.000 0.701 84 A CB 0.153 19.235 19.000 0.136 0.000 0.816 84 A HN 0.230 nan 8.150 nan 0.000 0.458 85 A N -2.882 120.003 122.820 0.109 0.000 1.997 85 A HA 0.490 4.810 4.320 -0.000 0.000 0.198 85 A C 1.769 179.422 177.584 0.116 0.000 1.449 85 A CA 1.183 53.287 52.037 0.111 0.000 0.908 85 A CB -0.101 18.949 19.000 0.083 0.000 0.984 85 A HN 1.662 nan 8.150 nan 0.000 0.487 86 G N -1.172 107.633 108.800 0.009 0.000 2.307 86 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.210 86 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.210 86 G C -0.251 174.602 174.900 -0.077 0.000 1.005 86 G CA 0.443 45.472 45.100 -0.119 0.000 0.634 86 G HN 0.871 nan 8.290 nan 0.000 0.496 87 D N -1.241 119.147 120.400 -0.019 0.000 2.947 87 D HA 0.609 5.249 4.640 -0.000 0.000 0.224 87 D C 0.538 176.841 176.300 0.004 0.000 1.230 87 D CA 0.745 54.736 54.000 -0.014 0.000 0.871 87 D CB 1.060 41.856 40.800 -0.006 0.000 1.671 87 D HN 1.203 nan 8.370 nan 0.000 0.507 88 G N 1.451 110.251 108.800 0.001 0.000 3.268 88 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.220 88 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.220 88 G C 0.920 175.826 174.900 0.010 0.000 0.942 88 G CA 0.368 45.477 45.100 0.015 0.000 0.918 88 G HN 0.491 nan 8.290 nan 0.000 0.658 89 T N 1.000 115.549 114.554 -0.008 0.000 2.770 89 T HA -0.043 4.307 4.350 -0.000 0.000 0.263 89 T C 2.591 177.286 174.700 -0.008 0.000 1.039 89 T CA 2.122 64.213 62.100 -0.016 0.000 1.142 89 T CB -0.336 68.514 68.868 -0.029 0.000 0.868 89 T HN 0.289 nan 8.240 nan 0.000 0.435 90 T N 2.001 116.551 114.554 -0.007 0.000 2.803 90 T HA -0.107 4.243 4.350 -0.000 0.000 0.269 90 T C 2.144 176.846 174.700 0.003 0.000 1.052 90 T CA 1.573 63.671 62.100 -0.004 0.000 1.136 90 T CB -0.550 68.315 68.868 -0.005 0.000 0.864 90 T HN 0.424 nan 8.240 nan 0.000 0.467 91 T N 1.555 116.114 114.554 0.008 0.000 2.937 91 T HA 0.232 4.582 4.350 -0.000 0.000 0.260 91 T C 2.450 177.163 174.700 0.022 0.000 1.051 91 T CA 0.733 62.842 62.100 0.015 0.000 1.141 91 T CB -0.343 68.536 68.868 0.018 0.000 0.879 91 T HN 0.410 nan 8.240 nan 0.000 0.459 92 A N 1.540 124.376 122.820 0.026 0.000 2.066 92 A HA -0.027 4.293 4.320 -0.000 0.000 0.218 92 A C 2.421 180.022 177.584 0.028 0.000 1.157 92 A CA 1.512 53.572 52.037 0.039 0.000 0.670 92 A CB -0.960 18.071 19.000 0.051 0.000 0.804 92 A HN 0.466 nan 8.150 nan 0.000 0.453 93 T N 0.037 114.600 114.554 0.015 0.000 2.770 93 T HA -0.101 4.249 4.350 -0.000 0.000 0.263 93 T C 2.001 176.709 174.700 0.013 0.000 1.039 93 T CA 1.738 63.844 62.100 0.010 0.000 1.142 93 T CB -0.851 68.018 68.868 0.002 0.000 0.868 93 T HN 0.637 nan 8.240 nan 0.000 0.435 94 V N 0.562 120.484 119.914 0.012 0.000 2.594 94 V HA -0.023 4.097 4.120 -0.000 0.000 0.253 94 V C 2.186 178.289 176.094 0.015 0.000 1.069 94 V CA 1.384 63.692 62.300 0.012 0.000 1.082 94 V CB -1.207 30.623 31.823 0.011 0.000 0.680 94 V HN 0.407 nan 8.190 nan 0.000 0.469 95 L N 0.565 121.800 121.223 0.020 0.000 2.095 95 L HA 0.119 4.459 4.340 -0.000 0.000 0.204 95 L C 3.023 179.907 176.870 0.023 0.000 1.080 95 L CA 1.410 56.263 54.840 0.022 0.000 0.759 95 L CB -0.869 41.207 42.059 0.028 0.000 0.914 95 L HN 0.375 nan 8.230 nan 0.000 0.439 96 A N -0.427 122.408 122.820 0.025 0.000 1.877 96 A HA -0.276 4.044 4.320 -0.000 0.000 0.216 96 A C 2.260 179.856 177.584 0.019 0.000 1.186 96 A CA 1.770 53.822 52.037 0.025 0.000 0.620 96 A CB -0.666 18.350 19.000 0.027 0.000 0.822 96 A HN 0.456 nan 8.150 nan 0.000 0.443 97 Q N -0.461 119.349 119.800 0.016 0.000 2.062 97 Q HA -0.258 4.082 4.340 -0.000 0.000 0.209 97 Q C 2.235 178.243 176.000 0.013 0.000 0.996 97 Q CA 2.238 58.049 55.803 0.013 0.000 0.859 97 Q CB -0.402 28.342 28.738 0.011 0.000 0.920 97 Q HN 0.608 nan 8.270 nan 0.000 0.415 98 A N 0.479 123.307 122.820 0.013 0.000 1.908 98 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 98 A C 1.968 179.560 177.584 0.013 0.000 1.181 98 A CA 1.712 53.756 52.037 0.012 0.000 0.627 98 A CB -0.675 18.333 19.000 0.013 0.000 0.818 98 A HN 0.509 nan 8.150 nan 0.000 0.445 99 I N -0.707 119.872 120.570 0.015 0.000 2.233 99 I HA -0.184 3.986 4.170 -0.000 0.000 0.243 99 I C 2.275 178.401 176.117 0.014 0.000 1.093 99 I CA 1.129 62.438 61.300 0.015 0.000 1.380 99 I CB -0.388 37.623 38.000 0.018 0.000 1.067 99 I HN 0.246 nan 8.210 nan 0.000 0.413 100 I N 0.690 121.269 120.570 0.015 0.000 2.208 100 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 100 I C 2.557 178.682 176.117 0.012 0.000 1.097 100 I CA 1.665 62.973 61.300 0.015 0.000 1.363 100 I CB -0.648 37.362 38.000 0.016 0.000 1.051 100 I HN 0.261 nan 8.210 nan 0.000 0.413 101 T N -0.019 114.542 114.554 0.011 0.000 2.708 101 T HA -0.132 4.218 4.350 -0.000 0.000 0.266 101 T C 1.780 176.485 174.700 0.008 0.000 1.037 101 T CA 1.158 63.264 62.100 0.009 0.000 1.146 101 T CB -0.165 68.708 68.868 0.008 0.000 0.865 101 T HN 0.309 nan 8.240 nan 0.000 0.435 102 E N 0.689 120.895 120.200 0.009 0.000 2.216 102 E HA 0.040 4.390 4.350 -0.000 0.000 0.192 102 E C 2.518 179.123 176.600 0.009 0.000 0.988 102 E CA 0.700 57.105 56.400 0.008 0.000 0.834 102 E CB -0.503 29.202 29.700 0.008 0.000 0.772 102 E HN 0.569 nan 8.360 nan 0.000 0.479 103 G N 1.387 110.193 108.800 0.010 0.000 2.404 103 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.215 103 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.215 103 G C 1.716 176.622 174.900 0.010 0.000 1.174 103 G CA 0.194 45.300 45.100 0.010 0.000 0.780 103 G HN 0.139 nan 8.290 nan 0.000 0.537 104 L N 0.002 121.231 121.223 0.010 0.000 2.141 104 L HA -0.035 4.305 4.340 -0.000 0.000 0.209 104 L C 2.908 179.783 176.870 0.008 0.000 1.094 104 L CA 0.999 55.845 54.840 0.009 0.000 0.763 104 L CB -0.312 41.752 42.059 0.009 0.000 0.908 104 L HN 0.200 nan 8.230 nan 0.000 0.437 105 K N 0.115 120.519 120.400 0.007 0.000 2.160 105 K HA -0.193 4.127 4.320 -0.000 0.000 0.206 105 K C 2.143 178.746 176.600 0.006 0.000 1.047 105 K CA 1.487 57.777 56.287 0.006 0.000 0.930 105 K CB -0.169 32.334 32.500 0.005 0.000 0.720 105 K HN 0.322 nan 8.250 nan 0.000 0.450 106 A N 0.600 123.424 122.820 0.007 0.000 1.935 106 A HA -0.042 4.278 4.320 -0.000 0.000 0.214 106 A C 2.295 179.883 177.584 0.007 0.000 1.178 106 A CA 0.801 52.842 52.037 0.007 0.000 0.640 106 A CB -0.245 18.759 19.000 0.007 0.000 0.825 106 A HN 0.045 nan 8.150 nan 0.000 0.447 107 V N 0.003 119.922 119.914 0.009 0.000 2.307 107 V HA -0.181 3.939 4.120 -0.000 0.000 0.245 107 V C 2.999 179.099 176.094 0.009 0.000 1.045 107 V CA 1.823 64.129 62.300 0.010 0.000 1.024 107 V CB -1.199 30.631 31.823 0.012 0.000 0.651 107 V HN 0.556 nan 8.190 nan 0.000 0.449 108 A N 0.001 122.825 122.820 0.008 0.000 2.015 108 A HA 0.008 4.328 4.320 -0.000 0.000 0.219 108 A C 2.319 179.906 177.584 0.005 0.000 1.163 108 A CA 1.726 53.767 52.037 0.006 0.000 0.646 108 A CB -0.564 18.439 19.000 0.005 0.000 0.806 108 A HN 0.559 nan 8.150 nan 0.000 0.448 109 A N -2.007 120.815 122.820 0.005 0.000 2.066 109 A HA 0.380 4.700 4.320 -0.000 0.000 0.218 109 A C 1.764 179.350 177.584 0.004 0.000 1.157 109 A CA 1.658 53.697 52.037 0.004 0.000 0.670 109 A CB -0.474 18.528 19.000 0.004 0.000 0.804 109 A HN 1.684 nan 8.150 nan 0.000 0.453 110 G N -2.705 106.098 108.800 0.005 0.000 2.370 110 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.174 110 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.174 110 G C 0.123 175.026 174.900 0.005 0.000 1.002 110 G CA -0.038 45.065 45.100 0.004 0.000 0.730 110 G HN 0.247 nan 8.290 nan 0.000 0.497 111 M N 1.359 120.963 119.600 0.006 0.000 2.250 111 M HA 0.277 4.757 4.480 -0.000 0.000 0.344 111 M C 0.480 176.784 176.300 0.008 0.000 1.150 111 M CA -0.432 54.872 55.300 0.006 0.000 1.147 111 M CB 0.580 33.183 32.600 0.006 0.000 1.498 111 M HN 0.146 nan 8.290 nan 0.000 0.461 112 N N 3.013 121.718 118.700 0.008 0.000 2.475 112 N HA 0.086 4.826 4.740 -0.000 0.000 0.267 112 N C -2.113 173.403 175.510 0.010 0.000 1.169 112 N CA -1.082 51.973 53.050 0.009 0.000 0.947 112 N CB 1.243 39.734 38.487 0.008 0.000 1.061 112 N HN 0.307 nan 8.380 nan 0.000 0.466 113 P HA -0.075 nan 4.420 nan 0.000 0.215 113 P C 1.723 179.030 177.300 0.012 0.000 1.157 113 P CA 1.208 64.316 63.100 0.013 0.000 0.863 113 P CB 0.228 31.938 31.700 0.016 0.000 0.787 114 M N -0.650 118.957 119.600 0.012 0.000 2.149 114 M HA -0.144 4.336 4.480 -0.000 0.000 0.261 114 M C 1.363 177.669 176.300 0.009 0.000 1.064 114 M CA 1.678 56.984 55.300 0.011 0.000 1.102 114 M CB -1.532 31.075 32.600 0.011 0.000 1.369 114 M HN 0.007 nan 8.290 nan 0.000 0.408 115 D N 0.398 120.802 120.400 0.008 0.000 2.123 115 D HA -0.035 4.605 4.640 -0.000 0.000 0.200 115 D C 2.298 178.602 176.300 0.007 0.000 0.976 115 D CA 0.930 54.934 54.000 0.007 0.000 0.831 115 D CB -0.215 40.588 40.800 0.006 0.000 0.974 115 D HN 0.315 nan 8.370 nan 0.000 0.469 116 L N 0.950 122.178 121.223 0.008 0.000 2.012 116 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 116 L C 2.553 179.428 176.870 0.008 0.000 1.073 116 L CA 1.304 56.148 54.840 0.008 0.000 0.748 116 L CB -0.335 41.729 42.059 0.009 0.000 0.891 116 L HN -0.000 nan 8.230 nan 0.000 0.431 117 K N 0.333 120.739 120.400 0.009 0.000 2.002 117 K HA -0.240 4.080 4.320 -0.000 0.000 0.209 117 K C 2.349 178.953 176.600 0.007 0.000 1.048 117 K CA 1.487 57.779 56.287 0.009 0.000 0.930 117 K CB -0.101 32.406 32.500 0.011 0.000 0.714 117 K HN 0.066 nan 8.250 nan 0.000 0.438 118 R N -0.174 120.330 120.500 0.006 0.000 2.105 118 R HA -0.116 4.224 4.340 -0.000 0.000 0.239 118 R C 2.336 178.638 176.300 0.003 0.000 1.135 118 R CA 1.749 57.851 56.100 0.004 0.000 0.967 118 R CB -0.588 29.714 30.300 0.004 0.000 0.861 118 R HN 0.467 nan 8.270 nan 0.000 0.442 119 G N 0.463 109.266 108.800 0.004 0.000 2.422 119 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 119 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 119 G C 1.379 176.281 174.900 0.004 0.000 1.146 119 G CA 0.847 45.950 45.100 0.004 0.000 0.769 119 G HN 0.283 nan 8.290 nan 0.000 0.547 120 I N 0.671 121.244 120.570 0.005 0.000 2.406 120 I HA -0.044 4.126 4.170 -0.000 0.000 0.249 120 I C 2.106 178.225 176.117 0.002 0.000 1.122 120 I CA 0.753 62.056 61.300 0.005 0.000 1.431 120 I CB -0.138 37.867 38.000 0.008 0.000 1.087 120 I HN -0.011 nan 8.210 nan 0.000 0.424 121 D N 1.224 121.625 120.400 0.001 0.000 2.117 121 D HA -0.208 4.432 4.640 -0.000 0.000 0.197 121 D C 2.083 178.380 176.300 -0.005 0.000 0.987 121 D CA 1.246 55.243 54.000 -0.004 0.000 0.829 121 D CB -0.161 40.637 40.800 -0.003 0.000 0.961 121 D HN 0.251 nan 8.370 nan 0.000 0.460 122 K N 0.514 120.913 120.400 -0.003 0.000 2.148 122 K HA -0.036 4.284 4.320 -0.000 0.000 0.204 122 K C 1.907 178.505 176.600 -0.002 0.000 1.050 122 K CA 1.015 57.300 56.287 -0.003 0.000 0.942 122 K CB 0.058 32.557 32.500 -0.001 0.000 0.724 122 K HN 0.008 nan 8.250 nan 0.000 0.446 123 A N 0.340 123.160 122.820 -0.000 0.000 1.968 123 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 123 A C 2.070 179.654 177.584 -0.001 0.000 1.169 123 A CA 1.189 53.227 52.037 0.001 0.000 0.638 123 A CB -0.203 18.800 19.000 0.004 0.000 0.812 123 A HN 0.156 nan 8.150 nan 0.000 0.446 124 V N -0.662 119.250 119.914 -0.004 0.000 2.446 124 V HA -0.147 3.973 4.120 -0.000 0.000 0.244 124 V C 2.659 178.745 176.094 -0.013 0.000 1.039 124 V CA 2.190 64.485 62.300 -0.009 0.000 1.045 124 V CB -1.200 30.614 31.823 -0.014 0.000 0.681 124 V HN 0.552 nan 8.190 nan 0.000 0.459 125 T N 1.071 115.617 114.554 -0.014 0.000 2.665 125 T HA -0.228 4.122 4.350 -0.000 0.000 0.268 125 T C 2.035 176.728 174.700 -0.010 0.000 1.035 125 T CA 1.900 63.991 62.100 -0.015 0.000 1.151 125 T CB -0.451 68.408 68.868 -0.014 0.000 0.862 125 T HN 0.555 nan 8.240 nan 0.000 0.438 126 A N 1.101 123.918 122.820 -0.006 0.000 1.969 126 A HA 0.304 4.624 4.320 -0.000 0.000 0.218 126 A C 2.603 180.186 177.584 -0.001 0.000 1.169 126 A CA 1.571 53.607 52.037 -0.002 0.000 0.635 126 A CB -0.920 18.080 19.000 -0.000 0.000 0.810 126 A HN 0.506 nan 8.150 nan 0.000 0.445 127 A N -0.252 122.567 122.820 -0.001 0.000 1.855 127 A HA -0.006 4.314 4.320 -0.000 0.000 0.215 127 A C 2.193 179.777 177.584 -0.000 0.000 1.191 127 A CA 1.752 53.790 52.037 0.002 0.000 0.613 127 A CB -1.102 17.899 19.000 0.002 0.000 0.829 127 A HN 0.400 nan 8.150 nan 0.000 0.442 128 V N 0.099 120.009 119.914 -0.006 0.000 2.250 128 V HA -0.329 3.791 4.120 -0.000 0.000 0.250 128 V C 2.590 178.681 176.094 -0.005 0.000 1.060 128 V CA 2.623 64.917 62.300 -0.009 0.000 1.030 128 V CB -0.977 30.835 31.823 -0.020 0.000 0.643 128 V HN 0.580 nan 8.190 nan 0.000 0.445 129 E N -0.036 120.162 120.200 -0.004 0.000 2.038 129 E HA -0.238 4.112 4.350 -0.000 0.000 0.195 129 E C 2.211 178.813 176.600 0.003 0.000 1.000 129 E CA 1.582 57.981 56.400 -0.001 0.000 0.803 129 E CB -0.403 29.296 29.700 -0.001 0.000 0.750 129 E HN 0.590 nan 8.360 nan 0.000 0.448 130 E N -0.283 119.920 120.200 0.005 0.000 2.160 130 E HA -0.147 4.203 4.350 -0.000 0.000 0.195 130 E C 1.785 178.392 176.600 0.011 0.000 0.991 130 E CA 0.467 56.872 56.400 0.009 0.000 0.810 130 E CB -0.229 29.477 29.700 0.011 0.000 0.742 130 E HN 0.169 nan 8.360 nan 0.000 0.466 131 L N 0.477 121.706 121.223 0.009 0.000 2.156 131 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 131 L C 1.810 178.685 176.870 0.009 0.000 1.095 131 L CA 1.586 56.432 54.840 0.010 0.000 0.770 131 L CB -0.147 41.917 42.059 0.008 0.000 0.914 131 L HN -0.014 nan 8.230 nan 0.000 0.439 132 K N -0.731 119.673 120.400 0.006 0.000 2.057 132 K HA -0.131 4.189 4.320 -0.000 0.000 0.207 132 K C 2.039 178.644 176.600 0.008 0.000 1.049 132 K CA 1.367 57.657 56.287 0.005 0.000 0.931 132 K CB -0.362 32.140 32.500 0.003 0.000 0.714 132 K HN 0.421 nan 8.250 nan 0.000 0.440 133 A N 1.163 123.988 122.820 0.009 0.000 1.969 133 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 133 A C 1.976 179.568 177.584 0.014 0.000 1.169 133 A CA 0.999 53.042 52.037 0.010 0.000 0.635 133 A CB -0.333 18.674 19.000 0.010 0.000 0.810 133 A HN 0.251 nan 8.150 nan 0.000 0.445 134 L N -0.785 120.447 121.223 0.016 0.000 2.509 134 L HA 0.109 4.449 4.340 -0.000 0.000 0.222 134 L C 0.982 177.863 176.870 0.019 0.000 1.123 134 L CA 0.031 54.883 54.840 0.020 0.000 0.856 134 L CB 0.046 42.118 42.059 0.023 0.000 0.985 134 L HN 0.292 nan 8.230 nan 0.000 0.456 135 S N 0.033 115.742 115.700 0.015 0.000 2.515 135 S HA 0.118 4.588 4.470 -0.000 0.000 0.285 135 S C -0.161 174.447 174.600 0.013 0.000 1.265 135 S CA -0.383 57.825 58.200 0.013 0.000 1.079 135 S CB 0.416 63.622 63.200 0.010 0.000 0.877 135 S HN 0.039 nan 8.310 nan 0.000 0.493 136 V N 9.473 129.395 119.914 0.013 0.000 2.333 136 V HA 0.322 4.442 4.120 -0.000 0.000 0.274 136 V C -1.925 174.175 176.094 0.010 0.000 1.028 136 V CA -1.800 60.507 62.300 0.012 0.000 0.851 136 V CB 0.928 32.759 31.823 0.014 0.000 1.000 136 V HN 0.721 nan 8.190 nan 0.000 0.456 137 P HA 0.138 nan 4.420 nan 0.000 0.271 137 P C -0.502 176.801 177.300 0.006 0.000 1.233 137 P CA -0.252 62.852 63.100 0.006 0.000 0.789 137 P CB 0.464 32.168 31.700 0.006 0.000 0.951 138 C N 1.773 121.076 119.300 0.004 0.000 3.287 138 C HA 0.427 4.887 4.460 -0.000 0.000 0.260 138 C C 1.149 176.140 174.990 0.001 0.000 1.133 138 C CA 0.128 59.148 59.018 0.003 0.000 1.402 138 C CB -1.242 26.500 27.740 0.004 0.000 1.832 138 C HN 0.550 nan 8.230 nan 0.000 0.509 139 S N 1.365 117.066 115.700 0.001 0.000 2.691 139 S HA 0.107 4.577 4.470 -0.000 0.000 0.241 139 S C 0.459 175.059 174.600 -0.001 0.000 1.077 139 S CA 0.192 58.392 58.200 -0.000 0.000 0.900 139 S CB 0.016 63.217 63.200 0.001 0.000 0.805 139 S HN 0.943 nan 8.310 nan 0.000 0.529 140 D N 1.834 122.235 120.400 0.000 0.000 2.368 140 D HA 0.052 4.692 4.640 -0.000 0.000 0.240 140 D C 0.840 177.140 176.300 -0.001 0.000 1.169 140 D CA 0.255 54.255 54.000 -0.000 0.000 0.906 140 D CB 0.602 41.403 40.800 0.000 0.000 1.187 140 D HN 0.242 nan 8.370 nan 0.000 0.435 141 S N -0.533 115.167 115.700 -0.001 0.000 2.607 141 S HA -0.117 4.353 4.470 -0.000 0.000 0.224 141 S C 1.445 176.044 174.600 -0.001 0.000 0.969 141 S CA 0.344 58.542 58.200 -0.002 0.000 0.927 141 S CB -0.205 62.993 63.200 -0.003 0.000 0.772 141 S HN 0.614 nan 8.310 nan 0.000 0.533 142 K N 1.511 121.910 120.400 -0.001 0.000 2.076 142 K HA 0.190 4.510 4.320 -0.000 0.000 0.204 142 K C 2.115 178.715 176.600 0.000 0.000 1.051 142 K CA 0.948 57.235 56.287 -0.000 0.000 0.949 142 K CB -0.454 32.046 32.500 0.001 0.000 0.726 142 K HN 0.397 nan 8.250 nan 0.000 0.443 143 A N 0.835 123.655 122.820 0.001 0.000 2.072 143 A HA 0.079 4.399 4.320 -0.000 0.000 0.216 143 A C 1.888 179.472 177.584 0.001 0.000 1.156 143 A CA 0.481 52.519 52.037 0.001 0.000 0.701 143 A CB -0.288 18.713 19.000 0.002 0.000 0.816 143 A HN 0.304 nan 8.150 nan 0.000 0.458 144 I N -0.471 120.099 120.570 -0.000 0.000 2.439 144 I HA -0.187 3.983 4.170 -0.000 0.000 0.251 144 I C 2.742 178.859 176.117 -0.001 0.000 1.139 144 I CA 0.956 62.255 61.300 -0.001 0.000 1.438 144 I CB -0.090 37.908 38.000 -0.003 0.000 1.085 144 I HN 0.346 nan 8.210 nan 0.000 0.427 145 A N -0.070 122.750 122.820 -0.001 0.000 1.975 145 A HA -0.124 4.196 4.320 -0.000 0.000 0.215 145 A C 2.224 179.807 177.584 -0.001 0.000 1.170 145 A CA 0.804 52.841 52.037 -0.001 0.000 0.656 145 A CB -0.266 18.734 19.000 -0.001 0.000 0.821 145 A HN 0.379 nan 8.150 nan 0.000 0.449 146 Q N -0.344 119.455 119.800 -0.000 0.000 2.016 146 Q HA -0.108 4.232 4.340 -0.000 0.000 0.200 146 Q C 2.149 178.149 176.000 -0.001 0.000 0.978 146 Q CA 1.706 57.509 55.803 -0.001 0.000 0.833 146 Q CB -0.343 28.395 28.738 -0.000 0.000 0.895 146 Q HN 0.457 nan 8.270 nan 0.000 0.427 147 V N 0.598 120.512 119.914 0.001 0.000 2.287 147 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 147 V C 2.238 178.334 176.094 0.003 0.000 1.053 147 V CA 2.052 64.353 62.300 0.002 0.000 1.027 147 V CB -1.215 30.610 31.823 0.003 0.000 0.646 147 V HN 0.569 nan 8.190 nan 0.000 0.447 148 G N -0.875 107.926 108.800 0.002 0.000 2.470 148 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.220 148 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.220 148 G C 1.627 176.528 174.900 0.002 0.000 1.121 148 G CA 1.442 46.544 45.100 0.003 0.000 0.766 148 G HN 0.504 nan 8.290 nan 0.000 0.553 149 T N 1.184 115.738 114.554 0.000 0.000 2.809 149 T HA 0.026 4.376 4.350 -0.000 0.000 0.260 149 T C 2.400 177.099 174.700 -0.003 0.000 1.039 149 T CA 0.742 62.841 62.100 -0.002 0.000 1.141 149 T CB -0.110 68.757 68.868 -0.003 0.000 0.869 149 T HN 0.239 nan 8.240 nan 0.000 0.437 150 I N 1.480 122.048 120.570 -0.004 0.000 2.179 150 I HA -0.180 3.990 4.170 -0.000 0.000 0.242 150 I C 2.638 178.752 176.117 -0.004 0.000 1.088 150 I CA 1.042 62.338 61.300 -0.006 0.000 1.357 150 I CB -0.429 37.567 38.000 -0.007 0.000 1.051 150 I HN 0.171 nan 8.210 nan 0.000 0.409 151 S N 0.630 116.330 115.700 0.000 0.000 2.419 151 S HA -0.090 4.380 4.470 -0.000 0.000 0.235 151 S C 1.687 176.289 174.600 0.003 0.000 1.019 151 S CA 1.254 59.456 58.200 0.004 0.000 0.982 151 S CB -0.252 62.955 63.200 0.012 0.000 0.789 151 S HN 0.545 nan 8.310 nan 0.000 0.490 152 A N 0.990 123.811 122.820 0.002 0.000 2.577 152 A HA 0.443 4.763 4.320 -0.000 0.000 0.280 152 A C 0.467 178.049 177.584 -0.003 0.000 1.331 152 A CA -0.463 51.574 52.037 0.001 0.000 0.935 152 A CB -0.498 18.503 19.000 0.002 0.000 1.082 152 A HN 0.341 nan 8.150 nan 0.000 0.525 153 N N -0.208 118.489 118.700 -0.005 0.000 2.681 153 N HA -0.205 4.535 4.740 -0.000 0.000 0.259 153 N C 0.454 175.959 175.510 -0.008 0.000 1.066 153 N CA 1.028 54.073 53.050 -0.009 0.000 0.717 153 N CB -1.702 36.780 38.487 -0.008 0.000 0.885 153 N HN 0.443 nan 8.380 nan 0.000 0.547 154 S N -1.459 114.235 115.700 -0.009 0.000 3.017 154 S HA -0.284 4.186 4.470 -0.000 0.000 0.283 154 S C -0.103 174.493 174.600 -0.006 0.000 1.304 154 S CA 1.327 59.521 58.200 -0.009 0.000 1.224 154 S CB -0.843 62.350 63.200 -0.011 0.000 1.480 154 S HN 0.843 nan 8.310 nan 0.000 0.698 155 D N 1.018 121.415 120.400 -0.005 0.000 2.317 155 D HA 0.309 4.949 4.640 -0.000 0.000 0.252 155 D C 1.003 177.301 176.300 -0.003 0.000 1.174 155 D CA 0.054 54.052 54.000 -0.004 0.000 0.866 155 D CB 0.685 41.483 40.800 -0.003 0.000 1.127 155 D HN 0.411 nan 8.370 nan 0.000 0.467 156 E N 1.223 121.421 120.200 -0.003 0.000 2.230 156 E HA -0.080 4.270 4.350 -0.000 0.000 0.192 156 E C 1.586 178.184 176.600 -0.002 0.000 0.987 156 E CA 0.632 57.030 56.400 -0.002 0.000 0.841 156 E CB 0.189 29.887 29.700 -0.003 0.000 0.783 156 E HN 0.546 nan 8.360 nan 0.000 0.481 157 T N 1.173 115.726 114.554 -0.002 0.000 2.620 157 T HA -0.207 4.143 4.350 -0.000 0.000 0.267 157 T C 2.088 176.787 174.700 -0.001 0.000 1.044 157 T CA 1.620 63.719 62.100 -0.001 0.000 1.161 157 T CB -0.428 68.439 68.868 -0.001 0.000 0.862 157 T HN 0.020 nan 8.240 nan 0.000 0.438 158 V N 1.229 121.143 119.914 -0.000 0.000 2.809 158 V HA 0.042 4.162 4.120 -0.000 0.000 0.256 158 V C 2.830 178.924 176.094 0.001 0.000 1.080 158 V CA 1.503 63.803 62.300 0.001 0.000 1.102 158 V CB -1.243 30.581 31.823 0.002 0.000 0.705 158 V HN 0.632 nan 8.190 nan 0.000 0.475 159 G N -0.371 108.428 108.800 -0.000 0.000 2.421 159 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.217 159 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.217 159 G C 1.631 176.531 174.900 -0.001 0.000 1.143 159 G CA 0.725 45.825 45.100 -0.001 0.000 0.784 159 G HN 0.469 nan 8.290 nan 0.000 0.541 160 K N -0.217 120.182 120.400 -0.001 0.000 2.007 160 K HA 0.154 4.474 4.320 -0.000 0.000 0.206 160 K C 2.478 179.077 176.600 -0.002 0.000 1.047 160 K CA 0.357 56.643 56.287 -0.002 0.000 0.937 160 K CB -0.268 32.231 32.500 -0.002 0.000 0.718 160 K HN 0.245 nan 8.250 nan 0.000 0.438 161 L N 1.149 122.371 121.223 -0.002 0.000 1.976 161 L HA -0.318 4.022 4.340 -0.000 0.000 0.223 161 L C 2.360 179.228 176.870 -0.003 0.000 1.081 161 L CA 1.842 56.681 54.840 -0.002 0.000 0.784 161 L CB -0.597 41.461 42.059 -0.001 0.000 0.896 161 L HN 0.274 nan 8.230 nan 0.000 0.438 162 I N -0.553 120.015 120.570 -0.003 0.000 2.208 162 I HA -0.304 3.866 4.170 -0.000 0.000 0.245 162 I C 2.677 178.790 176.117 -0.006 0.000 1.097 162 I CA 1.259 62.556 61.300 -0.005 0.000 1.363 162 I CB -0.640 37.358 38.000 -0.003 0.000 1.051 162 I HN 0.271 nan 8.210 nan 0.000 0.413 163 A N 0.215 123.033 122.820 -0.004 0.000 2.067 163 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 163 A C 2.202 179.783 177.584 -0.005 0.000 1.158 163 A CA 1.448 53.483 52.037 -0.004 0.000 0.661 163 A CB -0.416 18.582 19.000 -0.003 0.000 0.801 163 A HN 0.495 nan 8.150 nan 0.000 0.452 164 E N -0.584 119.613 120.200 -0.005 0.000 2.075 164 E HA 0.086 4.436 4.350 -0.000 0.000 0.190 164 E C 2.324 178.920 176.600 -0.006 0.000 0.969 164 E CA 0.615 57.012 56.400 -0.005 0.000 0.815 164 E CB -0.182 29.516 29.700 -0.004 0.000 0.776 164 E HN 0.554 nan 8.360 nan 0.000 0.457 165 A N 1.211 124.027 122.820 -0.007 0.000 1.972 165 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 165 A C 2.123 179.700 177.584 -0.011 0.000 1.169 165 A CA 1.188 53.220 52.037 -0.009 0.000 0.635 165 A CB -0.363 18.631 19.000 -0.010 0.000 0.810 165 A HN 0.135 nan 8.150 nan 0.000 0.446 166 M N -1.257 118.336 119.600 -0.011 0.000 2.349 166 M HA -0.092 4.388 4.480 -0.000 0.000 0.266 166 M C 1.657 177.951 176.300 -0.010 0.000 1.076 166 M CA 1.590 56.883 55.300 -0.012 0.000 1.126 166 M CB -0.384 32.209 32.600 -0.013 0.000 1.392 166 M HN 0.433 nan 8.290 nan 0.000 0.440 167 D N 0.516 120.911 120.400 -0.008 0.000 2.224 167 D HA -0.100 4.540 4.640 -0.000 0.000 0.205 167 D C 2.001 178.297 176.300 -0.006 0.000 0.965 167 D CA 0.990 54.987 54.000 -0.006 0.000 0.852 167 D CB 0.333 41.130 40.800 -0.005 0.000 0.947 167 D HN 0.022 nan 8.370 nan 0.000 0.494 168 K N -0.230 120.166 120.400 -0.007 0.000 2.044 168 K HA -0.021 4.299 4.320 -0.000 0.000 0.204 168 K C 2.038 178.634 176.600 -0.007 0.000 1.049 168 K CA 1.285 57.568 56.287 -0.006 0.000 0.945 168 K CB -0.143 32.353 32.500 -0.006 0.000 0.724 168 K HN 0.247 nan 8.250 nan 0.000 0.440 169 V N -3.304 116.605 119.914 -0.008 0.000 3.431 169 V HA 0.371 4.491 4.120 -0.000 0.000 0.253 169 V C 0.891 176.979 176.094 -0.009 0.000 1.184 169 V CA 0.391 62.686 62.300 -0.009 0.000 1.104 169 V CB 0.068 31.885 31.823 -0.010 0.000 0.799 169 V HN 0.362 nan 8.190 nan 0.000 0.462 170 G N 0.424 109.218 108.800 -0.010 0.000 2.353 170 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.615 170 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.615 170 G C -0.119 174.773 174.900 -0.013 0.000 1.280 170 G CA -0.101 44.994 45.100 -0.010 0.000 1.000 170 G HN 0.084 nan 8.290 nan 0.000 0.516 171 K N -0.196 120.198 120.400 -0.012 0.000 2.217 171 K HA 0.023 4.343 4.320 -0.000 0.000 0.202 171 K C 1.592 178.181 176.600 -0.018 0.000 1.051 171 K CA 1.434 57.712 56.287 -0.014 0.000 0.952 171 K CB 0.062 32.556 32.500 -0.010 0.000 0.736 171 K HN 0.422 nan 8.250 nan 0.000 0.453 172 E N 0.203 120.394 120.200 -0.016 0.000 2.481 172 E HA 0.050 4.400 4.350 -0.000 0.000 0.198 172 E C 0.708 177.296 176.600 -0.020 0.000 1.027 172 E CA -0.004 56.385 56.400 -0.017 0.000 0.900 172 E CB 0.496 30.190 29.700 -0.010 0.000 0.993 172 E HN 0.205 nan 8.360 nan 0.000 0.482 173 G N 1.283 110.072 108.800 -0.019 0.000 2.491 173 G HA2 0.163 4.123 3.960 -0.000 0.000 0.238 173 G HA3 0.163 4.123 3.960 -0.000 0.000 0.238 173 G C 0.242 175.127 174.900 -0.026 0.000 1.277 173 G CA -0.397 44.692 45.100 -0.018 0.000 0.851 173 G HN -0.037 nan 8.290 nan 0.000 0.573 174 V N 3.163 123.064 119.914 -0.022 0.000 2.387 174 V HA 0.216 4.336 4.120 -0.000 0.000 0.260 174 V C 0.350 176.429 176.094 -0.026 0.000 1.054 174 V CA 0.195 62.478 62.300 -0.027 0.000 0.967 174 V CB -0.248 31.564 31.823 -0.018 0.000 1.036 174 V HN 0.452 nan 8.190 nan 0.000 0.481 175 I N 4.444 124.994 120.570 -0.034 0.000 2.433 175 I HA 0.591 4.761 4.170 -0.000 0.000 0.292 175 I C 0.161 176.262 176.117 -0.026 0.000 1.001 175 I CA -0.158 61.125 61.300 -0.027 0.000 1.119 175 I CB 2.213 40.197 38.000 -0.027 0.000 1.289 175 I HN 0.454 nan 8.210 nan 0.000 0.438 176 T N 4.651 119.195 114.554 -0.016 0.000 2.907 176 T HA 0.583 4.933 4.350 -0.000 0.000 0.292 176 T C -0.940 173.758 174.700 -0.004 0.000 1.043 176 T CA -0.692 61.402 62.100 -0.009 0.000 1.003 176 T CB 2.566 71.429 68.868 -0.010 0.000 1.084 176 T HN 0.392 nan 8.240 nan 0.000 0.483 177 V N 2.461 122.376 119.914 0.003 0.000 2.588 177 V HA 0.780 4.900 4.120 -0.000 0.000 0.304 177 V C -1.006 175.091 176.094 0.005 0.000 1.042 177 V CA -0.530 61.773 62.300 0.004 0.000 0.877 177 V CB 1.343 33.172 31.823 0.009 0.000 0.996 177 V HN 1.067 nan 8.190 nan 0.000 0.425 178 E N 3.670 123.871 120.200 0.003 0.000 2.446 178 E HA 0.534 4.884 4.350 -0.000 0.000 0.267 178 E C -1.427 175.174 176.600 0.002 0.000 0.955 178 E CA -1.144 55.258 56.400 0.003 0.000 0.842 178 E CB 1.052 30.752 29.700 0.000 0.000 1.504 178 E HN 0.506 nan 8.360 nan 0.000 0.438 179 D N 0.483 120.884 120.400 0.001 0.000 2.488 179 D HA 0.193 4.833 4.640 -0.000 0.000 0.238 179 D C 0.107 176.406 176.300 -0.001 0.000 1.138 179 D CA 0.580 54.580 54.000 0.001 0.000 0.873 179 D CB 1.061 41.861 40.800 0.000 0.000 1.183 179 D HN 0.543 nan 8.370 nan 0.000 0.458 180 G N -0.010 108.790 108.800 -0.001 0.000 2.502 180 G HA2 0.337 4.297 3.960 -0.000 0.000 0.305 180 G HA3 0.337 4.297 3.960 -0.000 0.000 0.305 180 G C 0.994 175.893 174.900 -0.002 0.000 1.190 180 G CA -0.294 44.805 45.100 -0.001 0.000 0.933 180 G HN 0.433 nan 8.290 nan 0.000 0.503 181 T N -3.060 111.493 114.554 -0.002 0.000 3.037 181 T HA 0.482 4.832 4.350 -0.000 0.000 0.252 181 T C 0.950 175.649 174.700 -0.002 0.000 1.073 181 T CA 0.689 62.788 62.100 -0.002 0.000 1.091 181 T CB 0.356 69.222 68.868 -0.003 0.000 0.935 181 T HN 1.508 nan 8.240 nan 0.000 0.488 182 G N 0.806 109.605 108.800 -0.002 0.000 2.411 182 G HA2 0.429 4.389 3.960 -0.000 0.000 0.295 182 G HA3 0.429 4.389 3.960 -0.000 0.000 0.295 182 G C -1.387 173.512 174.900 -0.002 0.000 1.542 182 G CA -1.019 44.080 45.100 -0.002 0.000 0.814 182 G HN 0.313 nan 8.290 nan 0.000 0.557 183 L N 1.153 122.375 121.223 -0.002 0.000 2.841 183 L HA 0.199 4.539 4.340 -0.000 0.000 0.282 183 L C -0.224 176.645 176.870 -0.002 0.000 1.130 183 L CA 1.627 56.466 54.840 -0.001 0.000 0.996 183 L CB -0.781 41.277 42.059 -0.001 0.000 1.364 183 L HN 0.872 nan 8.230 nan 0.000 0.466 184 Q N 3.177 122.976 119.800 -0.002 0.000 3.449 184 Q HA 0.049 4.388 4.340 -0.000 0.000 0.138 184 Q C -1.675 174.324 176.000 -0.002 0.000 0.988 184 Q CA -0.487 55.315 55.803 -0.002 0.000 1.222 184 Q CB 0.513 29.250 28.738 -0.002 0.000 1.798 184 Q HN 0.657 nan 8.270 nan 0.000 0.590 185 D N 3.079 123.478 120.400 -0.002 0.000 2.225 185 D HA 0.255 4.895 4.640 -0.000 0.000 0.248 185 D C -0.427 175.872 176.300 -0.002 0.000 1.096 185 D CA 0.056 54.054 54.000 -0.002 0.000 0.863 185 D CB 1.223 42.022 40.800 -0.002 0.000 1.156 185 D HN 0.301 nan 8.370 nan 0.000 0.450 186 E N 0.653 120.852 120.200 -0.002 0.000 2.221 186 E HA 0.580 4.930 4.350 -0.000 0.000 0.268 186 E C -0.954 175.644 176.600 -0.003 0.000 0.933 186 E CA -0.998 55.401 56.400 -0.003 0.000 0.809 186 E CB 2.337 32.035 29.700 -0.003 0.000 1.190 186 E HN 0.077 nan 8.360 nan 0.000 0.406 187 L N 2.211 123.432 121.223 -0.004 0.000 2.439 187 L HA 0.446 4.786 4.340 -0.000 0.000 0.270 187 L C -1.848 175.019 176.870 -0.005 0.000 0.972 187 L CA -0.264 54.574 54.840 -0.004 0.000 0.836 187 L CB 1.648 43.704 42.059 -0.004 0.000 1.255 187 L HN 0.441 nan 8.230 nan 0.000 0.404 188 D N 3.833 124.230 120.400 -0.005 0.000 2.934 188 D HA 0.459 5.099 4.640 -0.000 0.000 0.230 188 D C -1.162 175.135 176.300 -0.006 0.000 1.204 188 D CA -0.172 53.824 54.000 -0.005 0.000 0.873 188 D CB 3.013 43.809 40.800 -0.006 0.000 1.645 188 D HN 0.200 nan 8.370 nan 0.000 0.502 189 V N 1.978 121.889 119.914 -0.005 0.000 2.347 189 V HA 0.403 4.523 4.120 -0.000 0.000 0.280 189 V C 0.629 176.720 176.094 -0.005 0.000 1.021 189 V CA -0.645 61.652 62.300 -0.005 0.000 0.847 189 V CB 1.214 33.034 31.823 -0.005 0.000 0.990 189 V HN 0.429 nan 8.190 nan 0.000 0.444 190 V N 1.786 121.697 119.914 -0.005 0.000 3.177 190 V HA 0.669 4.789 4.120 -0.000 0.000 0.319 190 V C -0.044 176.049 176.094 -0.002 0.000 1.125 190 V CA -1.025 61.273 62.300 -0.004 0.000 1.029 190 V CB 1.925 33.745 31.823 -0.006 0.000 1.119 190 V HN 0.676 nan 8.190 nan 0.000 0.452 191 E N 1.653 121.852 120.200 -0.002 0.000 2.104 191 E HA 0.543 4.893 4.350 -0.000 0.000 0.278 191 E C 0.127 176.730 176.600 0.005 0.000 1.127 191 E CA 0.496 56.896 56.400 0.001 0.000 0.897 191 E CB 0.734 30.433 29.700 -0.001 0.000 1.043 191 E HN 1.058 nan 8.360 nan 0.000 0.410 192 G N 1.798 110.604 108.800 0.010 0.000 2.695 192 G HA2 0.692 4.652 3.960 -0.000 0.000 0.290 192 G HA3 0.692 4.652 3.960 -0.000 0.000 0.290 192 G C -1.084 173.834 174.900 0.031 0.000 1.410 192 G CA -0.601 44.510 45.100 0.019 0.000 0.844 192 G HN 0.367 nan 8.290 nan 0.000 0.478 193 M N -0.151 119.480 119.600 0.052 0.000 2.578 193 M HA 0.569 5.049 4.480 -0.000 0.000 0.276 193 M C -2.016 174.344 176.300 0.100 0.000 1.245 193 M CA -0.713 54.634 55.300 0.079 0.000 0.871 193 M CB 2.750 35.413 32.600 0.103 0.000 1.722 193 M HN 0.648 nan 8.290 nan 0.000 0.473 194 Q N 2.848 122.711 119.800 0.105 0.000 2.289 194 Q HA 0.627 4.967 4.340 -0.000 0.000 0.270 194 Q C -2.132 173.947 176.000 0.131 0.000 1.038 194 Q CA -0.665 55.163 55.803 0.042 0.000 0.812 194 Q CB 2.085 30.798 28.738 -0.042 0.000 1.300 194 Q HN 0.583 nan 8.270 nan 0.000 0.427 195 F N -0.086 119.861 119.950 -0.006 0.000 2.618 195 F HA 0.575 5.102 4.527 -0.000 0.000 0.332 195 F C -0.286 175.510 175.800 -0.006 0.000 1.061 195 F CA -1.231 56.767 58.000 -0.003 0.000 0.974 195 F CB 0.971 39.971 39.000 0.001 0.000 1.310 195 F HN 0.317 nan 8.300 nan 0.000 0.491 196 D N 2.043 122.546 120.400 0.171 0.000 3.134 196 D HA 0.193 4.833 4.640 -0.000 0.000 0.248 196 D C -0.283 176.064 176.300 0.079 0.000 1.273 196 D CA 0.247 54.285 54.000 0.063 0.000 0.904 196 D CB -0.130 40.713 40.800 0.070 0.000 1.089 196 D HN 0.256 nan 8.370 nan 0.000 0.478 197 R N 0.002 120.528 120.500 0.044 0.000 2.564 197 R HA 0.556 4.896 4.340 -0.000 0.000 0.284 197 R C 0.284 176.532 176.300 -0.088 0.000 1.031 197 R CA -0.674 55.467 56.100 0.069 0.000 0.904 197 R CB 2.209 32.695 30.300 0.310 0.000 1.199 197 R HN 0.162 nan 8.270 nan 0.000 0.443 198 G N 0.999 109.724 108.800 -0.125 0.000 2.642 198 G HA2 0.426 4.386 3.960 -0.000 0.000 0.291 198 G HA3 0.426 4.386 3.960 -0.000 0.000 0.291 198 G C -0.689 174.124 174.900 -0.146 0.000 1.345 198 G CA -0.551 44.388 45.100 -0.268 0.000 1.043 198 G HN 0.450 nan 8.290 nan 0.000 0.528 199 Y N -1.046 119.283 120.300 0.048 0.000 2.702 199 Y HA 0.286 4.836 4.550 -0.000 0.000 0.336 199 Y C 1.273 177.262 175.900 0.148 0.000 1.235 199 Y CA -0.900 57.263 58.100 0.105 0.000 1.492 199 Y CB 0.358 38.925 38.460 0.178 0.000 1.308 199 Y HN 0.196 nan 8.280 nan 0.000 0.589 200 L N 1.502 122.970 121.223 0.408 0.000 2.313 200 L HA 0.035 4.375 4.340 -0.000 0.000 0.214 200 L C 0.747 177.840 176.870 0.372 0.000 1.119 200 L CA 1.247 56.282 54.840 0.325 0.000 0.809 200 L CB 0.011 42.230 42.059 0.268 0.000 0.933 200 L HN 0.806 nan 8.230 nan 0.000 0.449 201 S N -2.228 113.771 115.700 0.498 0.000 2.543 201 S HA 0.399 4.869 4.470 -0.000 0.000 0.273 201 S C -2.500 172.119 174.600 0.032 0.000 1.152 201 S CA -1.233 57.119 58.200 0.253 0.000 0.910 201 S CB 1.479 64.771 63.200 0.152 0.000 1.105 201 S HN -0.270 nan 8.310 nan 0.000 0.465 202 P HA 0.200 nan 4.420 nan 0.000 0.313 202 P C 0.018 176.988 177.300 -0.550 0.000 1.332 202 P CA 0.582 63.289 63.100 -0.655 0.000 0.777 202 P CB -0.022 31.188 31.700 -0.816 0.000 1.599 203 Y N -5.435 114.648 120.300 -0.362 0.000 4.118 203 Y HA -0.284 4.266 4.550 -0.000 0.000 0.350 203 Y C 1.738 177.462 175.900 -0.294 0.000 1.090 203 Y CA 1.149 59.052 58.100 -0.329 0.000 2.216 203 Y CB -3.150 35.082 38.460 -0.379 0.000 0.986 203 Y HN 0.111 nan 8.280 nan 0.000 0.484 204 F N 0.176 120.098 119.950 -0.047 0.000 2.325 204 F HA 0.055 4.582 4.527 -0.000 0.000 0.299 204 F C 1.437 177.185 175.800 -0.087 0.000 1.090 204 F CA 0.228 58.198 58.000 -0.050 0.000 1.392 204 F CB -0.414 38.562 39.000 -0.040 0.000 1.053 204 F HN -0.062 nan 8.300 nan 0.000 0.521 205 I N 2.446 122.989 120.570 -0.045 0.000 2.671 205 I HA -0.106 4.064 4.170 -0.000 0.000 0.285 205 I C 0.649 176.753 176.117 -0.022 0.000 1.148 205 I CA 0.207 61.461 61.300 -0.077 0.000 1.386 205 I CB 0.002 37.877 38.000 -0.208 0.000 1.406 205 I HN 0.159 nan 8.210 nan 0.000 0.540 206 N N 4.877 123.586 118.700 0.015 0.000 2.205 206 N HA 0.039 4.779 4.740 -0.000 0.000 0.201 206 N C -0.100 175.416 175.510 0.010 0.000 1.128 206 N CA -0.002 53.059 53.050 0.017 0.000 0.867 206 N CB 0.465 38.972 38.487 0.034 0.000 0.996 206 N HN 0.295 nan 8.380 nan 0.000 0.503 207 K N 1.257 121.663 120.400 0.009 0.000 2.530 207 K HA 0.278 4.598 4.320 -0.000 0.000 0.230 207 K C -2.200 174.400 176.600 -0.001 0.000 1.002 207 K CA -1.494 54.797 56.287 0.007 0.000 1.014 207 K CB 2.430 34.940 32.500 0.016 0.000 1.286 207 K HN 0.022 nan 8.250 nan 0.000 0.480 208 P HA -0.002 nan 4.420 nan 0.000 0.240 208 P C 0.463 177.754 177.300 -0.015 0.000 1.190 208 P CA 0.581 63.668 63.100 -0.022 0.000 0.781 208 P CB 0.612 32.297 31.700 -0.026 0.000 0.931 209 E N 0.399 120.594 120.200 -0.009 0.000 2.023 209 E HA -0.171 4.179 4.350 -0.000 0.000 0.196 209 E C 2.033 178.626 176.600 -0.012 0.000 1.003 209 E CA 2.581 58.975 56.400 -0.009 0.000 0.809 209 E CB -1.362 28.335 29.700 -0.005 0.000 0.755 209 E HN 0.360 nan 8.360 nan 0.000 0.449 210 T N -3.787 110.763 114.554 -0.005 0.000 3.035 210 T HA 0.261 4.611 4.350 -0.000 0.000 0.259 210 T C 1.523 176.226 174.700 0.005 0.000 1.078 210 T CA 0.365 62.461 62.100 -0.007 0.000 1.132 210 T CB 0.340 69.209 68.868 0.002 0.000 0.900 210 T HN 0.379 nan 8.240 nan 0.000 0.480 211 G N 0.977 109.789 108.800 0.020 0.000 2.167 211 G HA2 0.252 4.212 3.960 -0.000 0.000 0.194 211 G HA3 0.252 4.212 3.960 -0.000 0.000 0.194 211 G C -0.048 174.928 174.900 0.127 0.000 1.027 211 G CA -0.303 44.826 45.100 0.048 0.000 0.717 211 G HN 1.187 nan 8.290 nan 0.000 0.501 212 A N -0.477 122.400 122.820 0.096 0.000 2.393 212 A HA 0.856 5.176 4.320 -0.000 0.000 0.306 212 A C 0.016 177.662 177.584 0.103 0.000 1.050 212 A CA -0.367 51.752 52.037 0.136 0.000 0.724 212 A CB 1.985 21.036 19.000 0.085 0.000 1.248 212 A HN 1.344 nan 8.150 nan 0.000 0.424 213 V N 1.913 121.917 119.914 0.150 0.000 2.508 213 V HA 0.336 4.456 4.120 -0.000 0.000 0.281 213 V C 0.393 176.530 176.094 0.072 0.000 1.041 213 V CA 0.022 62.388 62.300 0.108 0.000 1.016 213 V CB 0.755 32.666 31.823 0.148 0.000 0.984 213 V HN 0.904 nan 8.190 nan 0.000 0.478 214 E N 5.190 125.420 120.200 0.051 0.000 2.216 214 E HA 0.617 4.967 4.350 -0.000 0.000 0.260 214 E C -1.671 174.946 176.600 0.029 0.000 0.880 214 E CA -0.631 55.788 56.400 0.033 0.000 0.765 214 E CB 1.472 31.188 29.700 0.026 0.000 1.174 214 E HN 0.674 nan 8.360 nan 0.000 0.417 215 L N 3.591 124.827 121.223 0.022 0.000 2.385 215 L HA 0.496 4.836 4.340 -0.000 0.000 0.273 215 L C -0.423 176.451 176.870 0.006 0.000 0.990 215 L CA -0.795 54.056 54.840 0.019 0.000 0.821 215 L CB 2.074 44.147 42.059 0.023 0.000 1.279 215 L HN 0.483 nan 8.230 nan 0.000 0.412 216 E N 1.611 121.813 120.200 0.003 0.000 2.151 216 E HA 0.366 4.716 4.350 -0.000 0.000 0.275 216 E C -0.372 176.211 176.600 -0.028 0.000 0.936 216 E CA -0.516 55.877 56.400 -0.011 0.000 0.777 216 E CB 1.569 31.265 29.700 -0.006 0.000 1.108 216 E HN 0.632 nan 8.360 nan 0.000 0.401 217 S N 1.378 117.046 115.700 -0.053 0.000 3.783 217 S HA -0.111 4.359 4.470 -0.000 0.000 0.360 217 S C -2.479 172.022 174.600 -0.165 0.000 1.006 217 S CA 0.024 58.161 58.200 -0.104 0.000 1.115 217 S CB -1.395 61.748 63.200 -0.096 0.000 0.893 217 S HN 0.448 nan 8.310 nan 0.000 0.475 218 P HA 0.593 nan 4.420 nan 0.000 0.284 218 P C 0.146 177.340 177.300 -0.175 0.000 1.258 218 P CA -0.613 62.438 63.100 -0.083 0.000 0.824 218 P CB 0.434 32.131 31.700 -0.005 0.000 1.038 219 F N 0.980 120.933 119.950 0.005 0.000 2.378 219 F HA 0.419 4.946 4.527 -0.000 0.000 0.319 219 F C 0.890 176.692 175.800 0.004 0.000 1.155 219 F CA 0.043 58.046 58.000 0.004 0.000 1.157 219 F CB 0.415 39.416 39.000 0.002 0.000 1.252 219 F HN 0.030 nan 8.300 nan 0.000 0.550 220 I N 2.992 123.680 120.570 0.196 0.000 2.503 220 I HA 0.173 4.343 4.170 -0.000 0.000 0.282 220 I C -1.215 174.953 176.117 0.085 0.000 1.059 220 I CA -0.682 60.682 61.300 0.106 0.000 1.081 220 I CB 1.649 39.689 38.000 0.067 0.000 1.210 220 I HN 0.307 nan 8.210 nan 0.000 0.450 221 L N 7.703 128.963 121.223 0.062 0.000 2.418 221 L HA 0.338 4.678 4.340 -0.000 0.000 0.274 221 L C -0.919 175.962 176.870 0.018 0.000 1.135 221 L CA 0.576 55.436 54.840 0.033 0.000 0.870 221 L CB 0.331 42.401 42.059 0.019 0.000 1.154 221 L HN 0.461 nan 8.230 nan 0.000 0.462 222 L N 6.430 127.659 121.223 0.009 0.000 2.319 222 L HA 0.808 5.148 4.340 -0.000 0.000 0.281 222 L C -0.363 176.501 176.870 -0.010 0.000 1.005 222 L CA -0.261 54.575 54.840 -0.007 0.000 0.828 222 L CB 1.435 43.487 42.059 -0.012 0.000 1.227 222 L HN 0.801 nan 8.230 nan 0.000 0.415 223 A N 1.577 124.389 122.820 -0.014 0.000 2.488 223 A HA 0.465 4.785 4.320 -0.000 0.000 0.298 223 A C -0.947 176.629 177.584 -0.013 0.000 1.044 223 A CA -0.514 51.517 52.037 -0.010 0.000 0.693 223 A CB 1.522 20.520 19.000 -0.003 0.000 1.272 223 A HN 0.601 nan 8.150 nan 0.000 0.402 224 D N 1.652 122.044 120.400 -0.013 0.000 3.168 224 D HA 0.290 4.930 4.640 -0.000 0.000 0.255 224 D C 0.022 176.319 176.300 -0.004 0.000 1.314 224 D CA 0.263 54.255 54.000 -0.013 0.000 0.900 224 D CB -0.457 40.332 40.800 -0.018 0.000 1.072 224 D HN 0.604 nan 8.370 nan 0.000 0.487 225 K N -1.275 119.126 120.400 0.001 0.000 2.555 225 K HA 0.409 4.729 4.320 -0.000 0.000 0.279 225 K C -0.876 175.733 176.600 0.015 0.000 0.986 225 K CA -1.112 55.180 56.287 0.008 0.000 0.880 225 K CB 1.151 33.655 32.500 0.007 0.000 1.474 225 K HN -0.276 nan 8.250 nan 0.000 0.433 226 K N 2.046 122.458 120.400 0.019 0.000 2.292 226 K HA 0.239 4.559 4.320 -0.000 0.000 0.290 226 K C -0.500 176.115 176.600 0.024 0.000 1.083 226 K CA -0.134 56.169 56.287 0.026 0.000 0.918 226 K CB 0.120 32.637 32.500 0.028 0.000 1.089 226 K HN 0.412 nan 8.250 nan 0.000 0.473 227 I N 2.870 123.456 120.570 0.027 0.000 2.269 227 I HA 0.003 4.173 4.170 -0.000 0.000 0.293 227 I C 0.627 176.764 176.117 0.033 0.000 1.106 227 I CA 0.070 61.386 61.300 0.027 0.000 1.248 227 I CB 0.891 38.906 38.000 0.025 0.000 1.444 227 I HN 0.582 nan 8.210 nan 0.000 0.497 228 S N 3.510 119.227 115.700 0.028 0.000 2.511 228 S HA 0.181 4.651 4.470 -0.000 0.000 0.214 228 S C 0.472 175.087 174.600 0.026 0.000 0.997 228 S CA -0.075 58.143 58.200 0.030 0.000 0.908 228 S CB 0.046 63.261 63.200 0.026 0.000 0.803 228 S HN 0.580 nan 8.310 nan 0.000 0.504 229 N N 1.124 119.838 118.700 0.022 0.000 2.399 229 N HA 0.391 5.131 4.740 -0.000 0.000 0.280 229 N C -0.375 175.146 175.510 0.019 0.000 1.008 229 N CA -0.279 52.782 53.050 0.018 0.000 0.894 229 N CB 1.542 40.037 38.487 0.013 0.000 1.273 229 N HN 0.055 nan 8.380 nan 0.000 0.486 230 I N 1.656 122.238 120.570 0.020 0.000 3.605 230 I HA 0.003 4.173 4.170 -0.000 0.000 0.301 230 I C 2.044 178.169 176.117 0.012 0.000 1.267 230 I CA 0.392 61.704 61.300 0.020 0.000 1.236 230 I CB 0.072 38.087 38.000 0.025 0.000 1.010 230 I HN 0.401 nan 8.210 nan 0.000 0.491 231 R N 0.660 121.166 120.500 0.009 0.000 2.100 231 R HA -0.106 4.234 4.340 -0.000 0.000 0.220 231 R C 1.743 178.044 176.300 0.002 0.000 1.091 231 R CA 1.256 57.359 56.100 0.005 0.000 0.986 231 R CB 0.095 30.398 30.300 0.005 0.000 0.888 231 R HN 0.438 nan 8.270 nan 0.000 0.444 232 E N 0.038 120.241 120.200 0.004 0.000 2.158 232 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 232 E C 1.884 178.483 176.600 -0.002 0.000 0.982 232 E CA 0.734 57.135 56.400 0.001 0.000 0.823 232 E CB 0.049 29.751 29.700 0.003 0.000 0.766 232 E HN 0.245 nan 8.360 nan 0.000 0.468 233 M N 0.660 120.261 119.600 0.002 0.000 2.374 233 M HA -0.063 4.417 4.480 -0.000 0.000 0.264 233 M C 2.164 178.459 176.300 -0.008 0.000 1.067 233 M CA 0.997 56.297 55.300 -0.001 0.000 1.103 233 M CB -0.690 31.915 32.600 0.008 0.000 1.402 233 M HN 0.194 nan 8.290 nan 0.000 0.444 234 L N 0.711 121.930 121.223 -0.006 0.000 1.997 234 L HA -0.227 4.113 4.340 -0.000 0.000 0.216 234 L C -0.306 176.553 176.870 -0.019 0.000 1.074 234 L CA 1.871 56.706 54.840 -0.009 0.000 0.763 234 L CB -2.270 39.785 42.059 -0.007 0.000 0.890 234 L HN 0.209 nan 8.230 nan 0.000 0.434 235 P HA -0.047 nan 4.420 nan 0.000 0.233 235 P C 1.504 178.777 177.300 -0.044 0.000 1.167 235 P CA 0.958 64.040 63.100 -0.029 0.000 0.770 235 P CB 0.292 31.978 31.700 -0.024 0.000 0.837 236 V N 0.126 120.014 119.914 -0.043 0.000 2.403 236 V HA -0.065 4.055 4.120 -0.000 0.000 0.239 236 V C 2.709 178.758 176.094 -0.075 0.000 1.041 236 V CA 0.888 63.151 62.300 -0.062 0.000 1.051 236 V CB -1.260 30.537 31.823 -0.043 0.000 0.704 236 V HN -0.063 nan 8.190 nan 0.000 0.472 237 L N 0.118 121.313 121.223 -0.046 0.000 2.261 237 L HA -0.176 4.164 4.340 -0.000 0.000 0.216 237 L C 2.350 179.193 176.870 -0.045 0.000 1.114 237 L CA 1.546 56.364 54.840 -0.037 0.000 0.777 237 L CB -0.442 41.610 42.059 -0.011 0.000 0.910 237 L HN 0.438 nan 8.230 nan 0.000 0.440 238 E N -0.698 119.473 120.200 -0.048 0.000 2.442 238 E HA 0.011 4.361 4.350 -0.000 0.000 0.195 238 E C 2.062 178.621 176.600 -0.068 0.000 1.030 238 E CA 0.537 56.909 56.400 -0.046 0.000 0.869 238 E CB 0.202 29.882 29.700 -0.033 0.000 0.857 238 E HN 0.468 nan 8.360 nan 0.000 0.505 239 A N 0.434 123.192 122.820 -0.103 0.000 2.030 239 A HA -0.000 4.320 4.320 -0.000 0.000 0.215 239 A C 2.194 179.641 177.584 -0.228 0.000 1.164 239 A CA 0.360 52.305 52.037 -0.152 0.000 0.697 239 A CB 0.131 19.026 19.000 -0.175 0.000 0.827 239 A HN 0.084 nan 8.150 nan 0.000 0.457 240 V N -0.308 119.477 119.914 -0.215 0.000 2.649 240 V HA -0.058 4.062 4.120 -0.000 0.000 0.248 240 V C 2.868 178.921 176.094 -0.069 0.000 1.054 240 V CA 1.362 63.533 62.300 -0.216 0.000 1.073 240 V CB -0.830 30.906 31.823 -0.145 0.000 0.699 240 V HN 0.526 nan 8.190 nan 0.000 0.463 241 A N -0.205 122.588 122.820 -0.046 0.000 2.019 241 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 241 A C 1.345 178.925 177.584 -0.005 0.000 1.164 241 A CA 0.973 53.003 52.037 -0.011 0.000 0.644 241 A CB -0.285 18.709 19.000 -0.010 0.000 0.805 241 A HN 0.532 nan 8.150 nan 0.000 0.449 242 K N -1.357 119.026 120.400 -0.027 0.000 2.270 242 K HA 0.450 4.770 4.320 -0.000 0.000 0.276 242 K C 0.727 177.334 176.600 0.012 0.000 1.023 242 K CA 0.390 56.669 56.287 -0.014 0.000 0.955 242 K CB 0.702 33.183 32.500 -0.032 0.000 0.975 242 K HN 0.667 nan 8.250 nan 0.000 0.471 243 A N 2.266 125.111 122.820 0.042 0.000 3.708 243 A HA -0.135 4.185 4.320 -0.000 0.000 0.244 243 A C 0.983 178.626 177.584 0.099 0.000 0.973 243 A CA 0.880 52.969 52.037 0.088 0.000 1.599 243 A CB -2.257 16.836 19.000 0.156 0.000 0.936 243 A HN 1.432 nan 8.150 nan 0.000 0.804 244 G N -0.755 108.095 108.800 0.083 0.000 2.324 244 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.292 244 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.292 244 G C -0.304 174.653 174.900 0.096 0.000 1.079 244 G CA 1.274 46.417 45.100 0.073 0.000 1.026 244 G HN 1.289 nan 8.290 nan 0.000 0.506 245 K N -0.166 120.323 120.400 0.148 0.000 2.469 245 K HA 0.515 4.835 4.320 -0.000 0.000 0.254 245 K C -2.617 174.094 176.600 0.186 0.000 0.939 245 K CA -2.185 54.207 56.287 0.176 0.000 0.812 245 K CB 2.668 35.337 32.500 0.282 0.000 1.301 245 K HN 0.003 nan 8.250 nan 0.000 0.433 246 P HA 0.096 nan 4.420 nan 0.000 0.272 246 P C -1.222 176.170 177.300 0.154 0.000 1.254 246 P CA -0.503 62.662 63.100 0.108 0.000 0.795 246 P CB 0.419 32.156 31.700 0.062 0.000 1.022 247 L N 0.526 121.809 121.223 0.099 0.000 2.455 247 L HA 0.593 4.933 4.340 -0.000 0.000 0.264 247 L C -1.846 175.049 176.870 0.041 0.000 0.968 247 L CA -0.799 54.101 54.840 0.099 0.000 0.827 247 L CB 1.848 43.951 42.059 0.073 0.000 1.317 247 L HN 0.090 nan 8.230 nan 0.000 0.407 248 L N 5.885 127.139 121.223 0.051 0.000 2.325 248 L HA 0.638 4.978 4.340 -0.000 0.000 0.281 248 L C -1.207 175.674 176.870 0.020 0.000 1.004 248 L CA -0.299 54.553 54.840 0.020 0.000 0.823 248 L CB 1.318 43.403 42.059 0.043 0.000 1.236 248 L HN 0.419 nan 8.230 nan 0.000 0.415 249 I N 7.027 127.588 120.570 -0.015 0.000 2.304 249 I HA 0.318 4.488 4.170 -0.000 0.000 0.291 249 I C -0.120 176.004 176.117 0.011 0.000 1.018 249 I CA -0.288 61.008 61.300 -0.007 0.000 1.260 249 I CB 0.793 38.776 38.000 -0.028 0.000 1.390 249 I HN 0.515 nan 8.210 nan 0.000 0.475 250 I N 5.987 126.567 120.570 0.016 0.000 2.464 250 I HA 0.573 4.743 4.170 -0.000 0.000 0.277 250 I C 0.329 176.441 176.117 -0.008 0.000 1.040 250 I CA -0.230 61.075 61.300 0.010 0.000 1.153 250 I CB 1.196 39.182 38.000 -0.023 0.000 1.274 250 I HN 0.649 nan 8.210 nan 0.000 0.469 251 A N 4.206 127.030 122.820 0.006 0.000 2.414 251 A HA 0.494 4.814 4.320 -0.000 0.000 0.278 251 A C 0.968 178.558 177.584 0.011 0.000 1.228 251 A CA -0.471 51.570 52.037 0.006 0.000 0.857 251 A CB 1.311 20.320 19.000 0.016 0.000 1.389 251 A HN 0.671 nan 8.150 nan 0.000 0.452 252 E N -0.795 119.414 120.200 0.014 0.000 2.051 252 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 252 E C -0.477 176.147 176.600 0.040 0.000 0.991 252 E CA 1.390 57.805 56.400 0.025 0.000 0.799 252 E CB 0.151 29.865 29.700 0.024 0.000 0.748 252 E HN 0.579 nan 8.360 nan 0.000 0.449 253 D N -1.477 118.947 120.400 0.041 0.000 2.655 253 D HA 0.248 4.888 4.640 -0.000 0.000 0.229 253 D C -1.770 174.562 176.300 0.052 0.000 1.229 253 D CA -0.532 53.499 54.000 0.052 0.000 0.807 253 D CB 2.476 43.307 40.800 0.051 0.000 1.514 253 D HN -0.124 nan 8.370 nan 0.000 0.444 254 V N 2.514 122.468 119.914 0.066 0.000 2.376 254 V HA 0.447 4.567 4.120 -0.000 0.000 0.287 254 V C 0.043 176.186 176.094 0.081 0.000 1.015 254 V CA -0.589 61.754 62.300 0.070 0.000 0.834 254 V CB 1.528 33.399 31.823 0.080 0.000 1.001 254 V HN 0.406 nan 8.190 nan 0.000 0.428 255 E N 2.215 122.454 120.200 0.065 0.000 2.334 255 E HA 0.672 5.022 4.350 -0.000 0.000 0.256 255 E C 1.173 177.805 176.600 0.053 0.000 0.958 255 E CA -0.282 56.154 56.400 0.060 0.000 0.821 255 E CB 1.737 31.465 29.700 0.048 0.000 1.269 255 E HN 0.697 nan 8.360 nan 0.000 0.413 256 G N 1.421 110.247 108.800 0.044 0.000 2.850 256 G HA2 -0.471 3.489 3.960 -0.000 0.000 0.353 256 G HA3 -0.471 3.489 3.960 -0.000 0.000 0.353 256 G C 1.167 176.087 174.900 0.032 0.000 0.983 256 G CA 1.319 46.438 45.100 0.033 0.000 0.832 256 G HN 0.652 nan 8.290 nan 0.000 0.889 257 E N 1.563 121.779 120.200 0.027 0.000 2.153 257 E HA -0.007 4.343 4.350 -0.000 0.000 0.194 257 E C 2.880 179.499 176.600 0.031 0.000 0.988 257 E CA 1.757 58.170 56.400 0.022 0.000 0.811 257 E CB -0.507 29.203 29.700 0.016 0.000 0.746 257 E HN 0.574 nan 8.360 nan 0.000 0.466 258 A N 0.912 123.758 122.820 0.043 0.000 1.874 258 A HA -0.084 4.236 4.320 -0.000 0.000 0.214 258 A C 2.201 179.838 177.584 0.087 0.000 1.189 258 A CA 0.976 53.046 52.037 0.055 0.000 0.615 258 A CB -0.591 18.439 19.000 0.051 0.000 0.830 258 A HN 0.311 nan 8.150 nan 0.000 0.443 259 L N -0.176 121.109 121.223 0.104 0.000 2.083 259 L HA -0.022 4.318 4.340 -0.000 0.000 0.209 259 L C 2.565 179.505 176.870 0.116 0.000 1.083 259 L CA 2.079 57.017 54.840 0.163 0.000 0.752 259 L CB -0.508 41.647 42.059 0.160 0.000 0.899 259 L HN 0.323 nan 8.230 nan 0.000 0.433 260 A N -1.914 120.936 122.820 0.051 0.000 2.014 260 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 260 A C 2.168 179.747 177.584 -0.007 0.000 1.163 260 A CA 1.838 53.873 52.037 -0.003 0.000 0.652 260 A CB -0.875 18.117 19.000 -0.014 0.000 0.808 260 A HN 0.500 nan 8.150 nan 0.000 0.449 261 T N -0.013 114.556 114.554 0.025 0.000 3.014 261 T HA 0.098 4.448 4.350 -0.000 0.000 0.263 261 T C 1.722 176.455 174.700 0.054 0.000 1.078 261 T CA 0.914 63.029 62.100 0.025 0.000 1.135 261 T CB -0.167 68.718 68.868 0.028 0.000 0.895 261 T HN 0.334 nan 8.240 nan 0.000 0.480 262 L N 0.542 121.831 121.223 0.111 0.000 2.095 262 L HA 0.043 4.383 4.340 -0.000 0.000 0.204 262 L C 2.552 179.570 176.870 0.247 0.000 1.080 262 L CA 0.629 55.592 54.840 0.204 0.000 0.759 262 L CB -0.421 41.805 42.059 0.278 0.000 0.914 262 L HN 0.094 nan 8.230 nan 0.000 0.439 263 V N -0.684 119.284 119.914 0.091 0.000 2.759 263 V HA -0.196 3.924 4.120 -0.000 0.000 0.256 263 V C 2.205 178.186 176.094 -0.188 0.000 1.080 263 V CA 1.110 63.250 62.300 -0.267 0.000 1.101 263 V CB 0.167 31.735 31.823 -0.425 0.000 0.698 263 V HN 0.193 nan 8.190 nan 0.000 0.477 264 V N -0.230 119.623 119.914 -0.101 0.000 2.374 264 V HA -0.124 3.996 4.120 -0.000 0.000 0.241 264 V C 2.030 178.105 176.094 -0.031 0.000 1.034 264 V CA 1.786 64.031 62.300 -0.092 0.000 1.037 264 V CB -0.647 31.128 31.823 -0.080 0.000 0.682 264 V HN 0.553 nan 8.190 nan 0.000 0.463 265 N N 0.359 119.065 118.700 0.010 0.000 2.289 265 N HA -0.152 4.588 4.740 -0.000 0.000 0.184 265 N C 1.834 177.374 175.510 0.049 0.000 1.016 265 N CA 1.803 54.870 53.050 0.029 0.000 0.872 265 N CB 0.048 38.559 38.487 0.039 0.000 0.973 265 N HN 0.665 nan 8.380 nan 0.000 0.433 266 T N -1.860 112.744 114.554 0.084 0.000 3.051 266 T HA 0.090 4.440 4.350 -0.000 0.000 0.255 266 T C 1.705 176.452 174.700 0.078 0.000 1.085 266 T CA -0.012 62.155 62.100 0.112 0.000 1.109 266 T CB 0.128 69.130 68.868 0.224 0.000 0.921 266 T HN 0.040 nan 8.240 nan 0.000 0.488 267 M N 0.226 119.848 119.600 0.036 0.000 2.447 267 M HA 0.253 4.733 4.480 -0.000 0.000 0.264 267 M C 2.013 178.316 176.300 0.004 0.000 1.095 267 M CA 0.768 56.075 55.300 0.012 0.000 1.125 267 M CB 0.036 32.618 32.600 -0.030 0.000 1.389 267 M HN 0.101 nan 8.290 nan 0.000 0.459 268 R N -0.475 120.026 120.500 0.002 0.000 2.317 268 R HA 0.142 4.482 4.340 -0.000 0.000 0.208 268 R C 1.139 177.444 176.300 0.009 0.000 0.914 268 R CA 0.586 56.686 56.100 -0.000 0.000 1.060 268 R CB 0.188 30.483 30.300 -0.007 0.000 1.015 268 R HN 0.653 nan 8.270 nan 0.000 0.498 269 G N 1.376 110.188 108.800 0.021 0.000 2.253 269 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.251 269 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.251 269 G C 0.377 175.294 174.900 0.028 0.000 0.998 269 G CA -0.087 45.027 45.100 0.024 0.000 0.621 269 G HN 0.293 nan 8.290 nan 0.000 0.524 270 I N 2.312 122.897 120.570 0.026 0.000 2.624 270 I HA 0.336 4.506 4.170 -0.000 0.000 0.307 270 I C 0.830 176.969 176.117 0.036 0.000 1.191 270 I CA 0.026 61.341 61.300 0.025 0.000 1.708 270 I CB -0.373 37.638 38.000 0.018 0.000 1.521 270 I HN 0.232 nan 8.210 nan 0.000 0.805 271 V N 3.914 123.851 119.914 0.038 0.000 3.548 271 V HA -0.232 3.888 4.120 -0.000 0.000 0.496 271 V C 0.301 176.432 176.094 0.063 0.000 0.682 271 V CA 0.320 62.647 62.300 0.046 0.000 2.033 271 V CB -1.094 30.751 31.823 0.036 0.000 2.463 271 V HN 0.716 nan 8.190 nan 0.000 0.506 272 K N 4.111 124.551 120.400 0.067 0.000 2.338 272 K HA 0.578 4.898 4.320 -0.000 0.000 0.290 272 K C -0.397 176.246 176.600 0.072 0.000 1.069 272 K CA 0.012 56.348 56.287 0.081 0.000 0.941 272 K CB 1.135 33.678 32.500 0.072 0.000 1.023 272 K HN 0.564 nan 8.250 nan 0.000 0.477 273 V N 2.248 122.210 119.914 0.080 0.000 2.588 273 V HA 0.715 4.835 4.120 -0.000 0.000 0.304 273 V C -0.633 175.374 176.094 -0.146 0.000 1.042 273 V CA -1.178 61.126 62.300 0.008 0.000 0.877 273 V CB 1.858 33.697 31.823 0.027 0.000 0.996 273 V HN 0.754 nan 8.190 nan 0.000 0.425 274 A N 3.360 126.012 122.820 -0.280 0.000 2.342 274 A HA 0.954 5.274 4.320 -0.000 0.000 0.323 274 A C -0.140 177.122 177.584 -0.538 0.000 1.125 274 A CA -0.384 51.266 52.037 -0.644 0.000 0.785 274 A CB 1.539 20.366 19.000 -0.289 0.000 1.221 274 A HN 1.416 nan 8.150 nan 0.000 0.463 275 A N 1.840 124.193 122.820 -0.778 0.000 2.287 275 A HA 0.674 4.994 4.320 -0.000 0.000 0.317 275 A C -0.226 177.313 177.584 -0.075 0.000 1.220 275 A CA -0.318 51.550 52.037 -0.280 0.000 0.835 275 A CB 0.490 19.401 19.000 -0.149 0.000 1.180 275 A HN 2.051 nan 8.150 nan 0.000 0.500 276 V N 0.434 120.360 119.914 0.019 0.000 2.735 276 V HA 0.579 4.699 4.120 -0.000 0.000 0.310 276 V C -0.129 176.039 176.094 0.123 0.000 1.061 276 V CA -1.206 61.157 62.300 0.106 0.000 0.913 276 V CB 1.245 33.173 31.823 0.175 0.000 1.005 276 V HN 0.847 nan 8.190 nan 0.000 0.428 277 K N 2.052 122.531 120.400 0.131 0.000 2.286 277 K HA 0.554 4.874 4.320 -0.000 0.000 0.256 277 K C 0.464 177.123 176.600 0.098 0.000 0.999 277 K CA 0.426 56.777 56.287 0.107 0.000 0.908 277 K CB 0.633 33.192 32.500 0.099 0.000 0.981 277 K HN 1.106 nan 8.250 nan 0.000 0.500 278 A N 2.903 125.739 122.820 0.027 0.000 2.354 278 A HA 0.347 4.667 4.320 -0.000 0.000 0.269 278 A C -2.303 175.269 177.584 -0.020 0.000 1.109 278 A CA -1.462 50.537 52.037 -0.063 0.000 0.800 278 A CB 0.078 19.044 19.000 -0.057 0.000 1.045 278 A HN 0.363 nan 8.150 nan 0.000 0.489 279 P HA 0.449 nan 4.420 nan 0.000 0.275 279 P C 0.920 178.252 177.300 0.053 0.000 1.227 279 P CA 1.472 64.582 63.100 0.018 0.000 0.781 279 P CB 0.962 32.630 31.700 -0.053 0.000 0.906 280 G N 1.874 110.750 108.800 0.128 0.000 2.528 280 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.262 280 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.262 280 G C -0.760 174.340 174.900 0.334 0.000 1.200 280 G CA 0.271 45.502 45.100 0.219 0.000 0.951 280 G HN 0.724 nan 8.290 nan 0.000 0.566 281 F N -2.802 117.160 119.950 0.020 0.000 2.807 281 F HA 0.685 5.212 4.527 -0.000 0.000 0.316 281 F C 1.122 176.933 175.800 0.019 0.000 1.162 281 F CA 0.601 58.613 58.000 0.020 0.000 0.910 281 F CB 0.625 39.643 39.000 0.030 0.000 1.314 281 F HN 2.465 nan 8.300 nan 0.000 0.454 282 G N 1.547 110.244 108.800 -0.171 0.000 2.665 282 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.326 282 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.326 282 G C 0.551 175.305 174.900 -0.243 0.000 1.231 282 G CA 1.129 46.065 45.100 -0.273 0.000 0.992 282 G HN 0.921 nan 8.290 nan 0.000 0.549 283 D N 0.781 121.002 120.400 -0.298 0.000 2.103 283 D HA -0.023 4.617 4.640 -0.000 0.000 0.199 283 D C 2.585 178.787 176.300 -0.164 0.000 0.978 283 D CA 1.671 55.560 54.000 -0.185 0.000 0.829 283 D CB -0.302 40.403 40.800 -0.159 0.000 0.981 283 D HN 0.675 nan 8.370 nan 0.000 0.464 284 R N 0.942 121.318 120.500 -0.206 0.000 2.236 284 R HA 0.069 4.409 4.340 -0.000 0.000 0.208 284 R C 2.075 178.311 176.300 -0.106 0.000 1.036 284 R CA 0.556 56.572 56.100 -0.140 0.000 1.001 284 R CB -0.181 30.038 30.300 -0.135 0.000 0.896 284 R HN 0.011 nan 8.270 nan 0.000 0.464 285 R N 1.623 122.057 120.500 -0.111 0.000 2.094 285 R HA -0.149 4.191 4.340 -0.000 0.000 0.239 285 R C 1.413 177.668 176.300 -0.075 0.000 1.137 285 R CA 2.136 58.197 56.100 -0.064 0.000 0.943 285 R CB -0.138 30.143 30.300 -0.031 0.000 0.850 285 R HN 0.292 nan 8.270 nan 0.000 0.433 286 K N -0.426 119.929 120.400 -0.075 0.000 2.211 286 K HA -0.044 4.276 4.320 -0.000 0.000 0.203 286 K C 1.862 178.423 176.600 -0.065 0.000 1.050 286 K CA 1.088 57.336 56.287 -0.065 0.000 0.945 286 K CB 0.060 32.525 32.500 -0.057 0.000 0.732 286 K HN 0.279 nan 8.250 nan 0.000 0.451 287 A N 0.488 123.265 122.820 -0.071 0.000 2.132 287 A HA 0.050 4.370 4.320 -0.000 0.000 0.213 287 A C 1.883 179.427 177.584 -0.068 0.000 1.154 287 A CA 0.606 52.605 52.037 -0.065 0.000 0.753 287 A CB -0.129 18.832 19.000 -0.065 0.000 0.826 287 A HN 0.127 nan 8.150 nan 0.000 0.469 288 M N -0.878 118.674 119.600 -0.080 0.000 2.435 288 M HA 0.149 4.629 4.480 -0.000 0.000 0.265 288 M C 1.695 177.924 176.300 -0.117 0.000 1.104 288 M CA 0.606 55.850 55.300 -0.094 0.000 1.140 288 M CB -0.238 32.302 32.600 -0.100 0.000 1.372 288 M HN 0.328 nan 8.290 nan 0.000 0.456 289 L N 0.285 121.440 121.223 -0.113 0.000 2.187 289 L HA -0.230 4.110 4.340 -0.000 0.000 0.213 289 L C 2.434 179.257 176.870 -0.078 0.000 1.100 289 L CA 1.163 55.937 54.840 -0.109 0.000 0.765 289 L CB -0.371 41.637 42.059 -0.084 0.000 0.904 289 L HN 0.335 nan 8.230 nan 0.000 0.437 290 Q N -0.399 119.362 119.800 -0.064 0.000 2.398 290 Q HA -0.123 4.217 4.340 -0.000 0.000 0.204 290 Q C 1.387 177.360 176.000 -0.044 0.000 0.932 290 Q CA 0.957 56.732 55.803 -0.047 0.000 0.916 290 Q CB 0.200 28.914 28.738 -0.039 0.000 1.024 290 Q HN 0.329 nan 8.270 nan 0.000 0.504 291 D N -0.703 119.664 120.400 -0.055 0.000 2.194 291 D HA -0.014 4.626 4.640 -0.000 0.000 0.204 291 D C 1.233 177.509 176.300 -0.039 0.000 0.964 291 D CA 0.918 54.892 54.000 -0.045 0.000 0.846 291 D CB 0.205 40.975 40.800 -0.049 0.000 0.962 291 D HN 0.370 nan 8.370 nan 0.000 0.490 292 I N 0.207 120.742 120.570 -0.059 0.000 2.585 292 I HA -0.019 4.151 4.170 -0.000 0.000 0.254 292 I C 2.255 178.357 176.117 -0.025 0.000 1.129 292 I CA 0.526 61.800 61.300 -0.044 0.000 1.455 292 I CB -0.140 37.808 38.000 -0.086 0.000 1.111 292 I HN -0.106 nan 8.210 nan 0.000 0.433 293 A N 0.688 123.490 122.820 -0.031 0.000 2.067 293 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 293 A C 2.292 179.869 177.584 -0.010 0.000 1.158 293 A CA 2.033 54.060 52.037 -0.017 0.000 0.661 293 A CB -0.882 18.107 19.000 -0.020 0.000 0.801 293 A HN 0.418 nan 8.150 nan 0.000 0.452 294 T N -0.190 114.356 114.554 -0.014 0.000 2.976 294 T HA 0.036 4.386 4.350 -0.000 0.000 0.257 294 T C 1.756 176.452 174.700 -0.006 0.000 1.051 294 T CA 0.709 62.803 62.100 -0.010 0.000 1.141 294 T CB -0.194 68.665 68.868 -0.014 0.000 0.881 294 T HN 0.270 nan 8.240 nan 0.000 0.461 295 L N 2.513 123.732 121.223 -0.006 0.000 2.265 295 L HA -0.057 4.283 4.340 -0.000 0.000 0.215 295 L C 2.122 178.993 176.870 0.001 0.000 1.117 295 L CA 2.092 56.932 54.840 -0.000 0.000 0.782 295 L CB -1.112 40.950 42.059 0.006 0.000 0.914 295 L HN 0.490 nan 8.230 nan 0.000 0.441 296 T N -5.336 109.219 114.554 0.001 0.000 2.978 296 T HA 0.297 4.647 4.350 -0.000 0.000 0.248 296 T C 1.309 176.009 174.700 0.001 0.000 1.018 296 T CA 0.588 62.689 62.100 0.001 0.000 1.026 296 T CB 0.584 69.456 68.868 0.008 0.000 1.032 296 T HN 0.385 nan 8.240 nan 0.000 0.485 297 G N 0.601 109.404 108.800 0.004 0.000 2.138 297 G HA2 0.124 4.084 3.960 -0.000 0.000 0.193 297 G HA3 0.124 4.084 3.960 -0.000 0.000 0.193 297 G C 0.356 175.267 174.900 0.018 0.000 0.998 297 G CA -0.155 44.949 45.100 0.008 0.000 0.668 297 G HN 0.980 nan 8.290 nan 0.000 0.516 298 G N -1.369 107.442 108.800 0.019 0.000 2.828 298 G HA2 0.802 4.762 3.960 -0.000 0.000 0.244 298 G HA3 0.802 4.762 3.960 -0.000 0.000 0.244 298 G C -0.512 174.396 174.900 0.014 0.000 1.365 298 G CA 0.259 45.376 45.100 0.027 0.000 1.041 298 G HN 0.777 nan 8.290 nan 0.000 0.560 299 T N -0.307 114.255 114.554 0.013 0.000 2.971 299 T HA 0.400 4.750 4.350 -0.000 0.000 0.304 299 T C -0.597 174.102 174.700 -0.002 0.000 1.038 299 T CA -0.321 61.781 62.100 0.003 0.000 1.007 299 T CB 1.876 70.747 68.868 0.005 0.000 1.055 299 T HN 0.352 nan 8.240 nan 0.000 0.451 300 V N 4.265 124.174 119.914 -0.009 0.000 2.415 300 V HA 0.242 4.362 4.120 -0.000 0.000 0.267 300 V C 0.355 176.442 176.094 -0.011 0.000 1.042 300 V CA -0.335 61.957 62.300 -0.014 0.000 1.000 300 V CB -0.187 31.623 31.823 -0.023 0.000 1.015 300 V HN 0.746 nan 8.190 nan 0.000 0.478 301 I N 5.611 126.176 120.570 -0.009 0.000 2.278 301 I HA 0.196 4.366 4.170 -0.000 0.000 0.296 301 I C 0.731 176.843 176.117 -0.008 0.000 1.121 301 I CA 0.327 61.623 61.300 -0.007 0.000 1.267 301 I CB 0.275 38.272 38.000 -0.005 0.000 1.447 301 I HN 0.690 nan 8.210 nan 0.000 0.509 302 S N 3.122 118.816 115.700 -0.010 0.000 2.525 302 S HA 0.343 4.813 4.470 -0.000 0.000 0.290 302 S C 0.596 175.192 174.600 -0.007 0.000 1.152 302 S CA -0.840 57.354 58.200 -0.010 0.000 1.072 302 S CB 1.896 65.088 63.200 -0.013 0.000 1.027 302 S HN 0.595 nan 8.310 nan 0.000 0.500 303 E N 1.088 121.285 120.200 -0.005 0.000 2.478 303 E HA -0.094 4.256 4.350 -0.000 0.000 0.198 303 E C 1.218 177.816 176.600 -0.004 0.000 1.046 303 E CA 0.654 57.052 56.400 -0.003 0.000 0.870 303 E CB 0.029 29.729 29.700 -0.001 0.000 0.818 303 E HN 0.782 nan 8.360 nan 0.000 0.527 304 E N 0.304 120.500 120.200 -0.006 0.000 2.112 304 E HA -0.063 4.287 4.350 -0.000 0.000 0.190 304 E C 1.823 178.419 176.600 -0.007 0.000 0.979 304 E CA 0.624 57.020 56.400 -0.007 0.000 0.814 304 E CB 0.167 29.861 29.700 -0.010 0.000 0.762 304 E HN 0.284 nan 8.360 nan 0.000 0.460 305 I N -0.483 120.082 120.570 -0.008 0.000 3.059 305 I HA 0.059 4.229 4.170 -0.000 0.000 0.270 305 I C 1.472 177.586 176.117 -0.006 0.000 1.238 305 I CA 0.682 61.978 61.300 -0.007 0.000 1.478 305 I CB 0.229 38.224 38.000 -0.008 0.000 1.097 305 I HN 0.271 nan 8.210 nan 0.000 0.455 306 G N 0.990 109.786 108.800 -0.005 0.000 2.184 306 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.206 306 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.206 306 G C 0.254 175.151 174.900 -0.004 0.000 0.995 306 G CA -0.492 44.605 45.100 -0.004 0.000 0.651 306 G HN 0.179 nan 8.290 nan 0.000 0.511 307 M N 0.907 120.504 119.600 -0.005 0.000 2.235 307 M HA 0.539 5.019 4.480 -0.000 0.000 0.351 307 M C 0.379 176.677 176.300 -0.004 0.000 1.178 307 M CA 0.340 55.637 55.300 -0.005 0.000 1.143 307 M CB 0.904 33.501 32.600 -0.005 0.000 1.530 307 M HN 0.210 nan 8.290 nan 0.000 0.461 308 E N 1.336 121.533 120.200 -0.005 0.000 2.244 308 E HA 0.305 4.655 4.350 -0.000 0.000 0.266 308 E C 0.246 176.843 176.600 -0.006 0.000 0.914 308 E CA -0.572 55.825 56.400 -0.004 0.000 0.794 308 E CB 1.922 31.620 29.700 -0.004 0.000 1.210 308 E HN 0.647 nan 8.360 nan 0.000 0.414 309 L N 1.429 122.649 121.223 -0.005 0.000 2.131 309 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 309 L C 1.653 178.517 176.870 -0.010 0.000 1.092 309 L CA 1.255 56.091 54.840 -0.006 0.000 0.759 309 L CB -0.190 41.867 42.059 -0.003 0.000 0.903 309 L HN 0.581 nan 8.230 nan 0.000 0.435 310 E N -0.140 120.055 120.200 -0.008 0.000 2.150 310 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 310 E C 1.587 178.179 176.600 -0.012 0.000 0.985 310 E CA 0.738 57.133 56.400 -0.010 0.000 0.814 310 E CB 0.118 29.813 29.700 -0.007 0.000 0.752 310 E HN 0.167 nan 8.360 nan 0.000 0.466 311 K N 0.315 120.709 120.400 -0.010 0.000 2.437 311 K HA 0.266 4.586 4.320 -0.000 0.000 0.198 311 K C -0.125 176.467 176.600 -0.013 0.000 1.024 311 K CA -0.028 56.252 56.287 -0.011 0.000 1.148 311 K CB 0.722 33.218 32.500 -0.008 0.000 0.860 311 K HN 0.016 nan 8.250 nan 0.000 0.515 312 A N 1.717 124.528 122.820 -0.016 0.000 2.363 312 A HA 0.303 4.623 4.320 -0.000 0.000 0.270 312 A C 0.747 178.314 177.584 -0.029 0.000 1.121 312 A CA -0.283 51.743 52.037 -0.019 0.000 0.800 312 A CB 0.279 19.268 19.000 -0.019 0.000 1.052 312 A HN 0.275 nan 8.150 nan 0.000 0.493 313 T N -0.074 114.464 114.554 -0.027 0.000 2.855 313 T HA 0.517 4.867 4.350 -0.000 0.000 0.275 313 T C 0.958 175.625 174.700 -0.055 0.000 1.022 313 T CA -0.467 61.609 62.100 -0.039 0.000 0.977 313 T CB 0.215 69.068 68.868 -0.025 0.000 1.559 313 T HN 0.272 nan 8.240 nan 0.000 0.600 314 L N -0.055 121.129 121.223 -0.065 0.000 2.375 314 L HA 0.261 4.601 4.340 -0.000 0.000 0.215 314 L C 2.824 179.717 176.870 0.038 0.000 1.108 314 L CA 0.780 55.564 54.840 -0.093 0.000 0.830 314 L CB -0.242 41.725 42.059 -0.154 0.000 0.959 314 L HN 0.799 nan 8.230 nan 0.000 0.457 315 E N 0.035 120.257 120.200 0.037 0.000 2.230 315 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 315 E C 1.075 177.707 176.600 0.052 0.000 0.987 315 E CA 0.621 57.056 56.400 0.059 0.000 0.841 315 E CB 0.322 30.043 29.700 0.035 0.000 0.783 315 E HN 0.401 nan 8.360 nan 0.000 0.481 316 D N 0.227 120.646 120.400 0.032 0.000 2.310 316 D HA -0.054 4.586 4.640 -0.000 0.000 0.212 316 D C 0.041 176.367 176.300 0.043 0.000 0.965 316 D CA 0.481 54.496 54.000 0.026 0.000 0.879 316 D CB 0.075 40.880 40.800 0.009 0.000 0.921 316 D HN 0.109 nan 8.370 nan 0.000 0.510 317 L N 0.373 121.640 121.223 0.075 0.000 2.375 317 L HA 0.424 4.764 4.340 -0.000 0.000 0.271 317 L C 1.345 178.298 176.870 0.139 0.000 1.107 317 L CA -0.274 54.638 54.840 0.119 0.000 0.806 317 L CB 1.245 43.410 42.059 0.176 0.000 1.146 317 L HN -0.123 nan 8.230 nan 0.000 0.447 318 G N 1.166 110.026 108.800 0.101 0.000 2.588 318 G HA2 0.514 4.474 3.960 -0.000 0.000 0.281 318 G HA3 0.514 4.474 3.960 -0.000 0.000 0.281 318 G C -1.065 173.862 174.900 0.045 0.000 1.236 318 G CA -0.208 44.928 45.100 0.061 0.000 0.969 318 G HN 0.553 nan 8.290 nan 0.000 0.504 319 Q N -1.722 118.065 119.800 -0.022 0.000 2.377 319 Q HA 0.595 4.935 4.340 -0.000 0.000 0.279 319 Q C -1.008 174.945 176.000 -0.079 0.000 1.049 319 Q CA -0.740 54.996 55.803 -0.110 0.000 0.825 319 Q CB 2.228 30.837 28.738 -0.215 0.000 1.401 319 Q HN 0.936 nan 8.270 nan 0.000 0.404 320 A N 1.871 124.638 122.820 -0.090 0.000 2.564 320 A HA 0.505 4.825 4.320 -0.000 0.000 0.288 320 A C -0.505 177.038 177.584 -0.069 0.000 1.164 320 A CA -0.562 51.441 52.037 -0.057 0.000 0.712 320 A CB 1.566 20.553 19.000 -0.021 0.000 1.303 320 A HN 0.791 nan 8.150 nan 0.000 0.418 321 K N -0.716 119.657 120.400 -0.046 0.000 2.186 321 K HA 0.087 4.407 4.320 -0.000 0.000 0.202 321 K C 0.595 177.175 176.600 -0.034 0.000 1.052 321 K CA 0.994 57.255 56.287 -0.044 0.000 0.965 321 K CB 0.223 32.704 32.500 -0.031 0.000 0.746 321 K HN 0.548 nan 8.250 nan 0.000 0.457 322 R N -0.066 120.420 120.500 -0.023 0.000 2.634 322 R HA 0.191 4.531 4.340 -0.000 0.000 0.263 322 R C -1.909 174.388 176.300 -0.005 0.000 1.060 322 R CA -0.548 55.544 56.100 -0.013 0.000 0.898 322 R CB 1.830 32.124 30.300 -0.010 0.000 1.253 322 R HN -0.072 nan 8.270 nan 0.000 0.461 323 V N 0.087 120.001 119.914 -0.000 0.000 2.876 323 V HA 0.827 4.947 4.120 -0.000 0.000 0.312 323 V C -1.138 174.956 176.094 0.000 0.000 1.085 323 V CA -0.737 61.564 62.300 0.001 0.000 0.945 323 V CB 2.110 33.941 31.823 0.013 0.000 1.017 323 V HN 0.417 nan 8.190 nan 0.000 0.428 324 V N 4.761 124.666 119.914 -0.014 0.000 2.531 324 V HA 0.578 4.698 4.120 -0.000 0.000 0.301 324 V C -0.443 175.634 176.094 -0.029 0.000 1.034 324 V CA -0.290 62.005 62.300 -0.008 0.000 0.865 324 V CB 1.643 33.461 31.823 -0.008 0.000 0.995 324 V HN 0.845 nan 8.190 nan 0.000 0.424 325 I N 4.831 125.412 120.570 0.019 0.000 2.437 325 I HA 0.395 4.565 4.170 -0.000 0.000 0.279 325 I C 0.173 176.333 176.117 0.073 0.000 1.028 325 I CA -0.313 61.000 61.300 0.021 0.000 1.142 325 I CB 1.137 39.194 38.000 0.096 0.000 1.266 325 I HN 0.565 nan 8.210 nan 0.000 0.461 326 N N 4.489 123.147 118.700 -0.070 0.000 2.328 326 N HA 0.123 4.863 4.740 -0.000 0.000 0.277 326 N C 1.223 176.452 175.510 -0.468 0.000 1.286 326 N CA -0.230 52.760 53.050 -0.101 0.000 0.949 326 N CB 0.632 39.065 38.487 -0.090 0.000 1.136 326 N HN 0.460 nan 8.380 nan 0.000 0.550 327 K N 0.020 120.180 120.400 -0.401 0.000 2.097 327 K HA -0.156 4.164 4.320 -0.000 0.000 0.206 327 K C -0.320 175.954 176.600 -0.545 0.000 1.049 327 K CA 1.871 57.773 56.287 -0.641 0.000 0.933 327 K CB 0.041 32.431 32.500 -0.185 0.000 0.717 327 K HN 0.613 nan 8.250 nan 0.000 0.442 328 D N -2.030 118.182 120.400 -0.312 0.000 2.563 328 D HA 0.078 4.718 4.640 -0.000 0.000 0.256 328 D C -0.845 175.356 176.300 -0.166 0.000 1.400 328 D CA -0.378 53.504 54.000 -0.197 0.000 0.800 328 D CB 1.053 41.788 40.800 -0.110 0.000 1.145 328 D HN -0.175 nan 8.370 nan 0.000 0.501 329 T N 0.206 114.635 114.554 -0.209 0.000 3.031 329 T HA 0.481 4.831 4.350 -0.000 0.000 0.305 329 T C -0.968 173.547 174.700 -0.307 0.000 0.985 329 T CA -0.465 61.498 62.100 -0.227 0.000 1.008 329 T CB 1.875 70.657 68.868 -0.144 0.000 1.005 329 T HN -0.140 nan 8.240 nan 0.000 0.444 330 T N 2.769 116.990 114.554 -0.554 0.000 2.758 330 T HA 0.547 4.897 4.350 -0.000 0.000 0.285 330 T C -0.007 174.314 174.700 -0.632 0.000 0.981 330 T CA -0.426 61.310 62.100 -0.607 0.000 0.965 330 T CB 1.302 69.699 68.868 -0.785 0.000 0.927 330 T HN 0.551 nan 8.240 nan 0.000 0.448 331 T N 4.096 118.481 114.554 -0.281 0.000 2.792 331 T HA 0.639 4.989 4.350 -0.000 0.000 0.280 331 T C -0.349 174.323 174.700 -0.047 0.000 0.990 331 T CA -0.740 61.270 62.100 -0.151 0.000 0.960 331 T CB 0.051 68.862 68.868 -0.095 0.000 0.939 331 T HN 0.450 nan 8.240 nan 0.000 0.439 332 I N 6.148 126.731 120.570 0.021 0.000 2.331 332 I HA 0.449 4.619 4.170 -0.000 0.000 0.292 332 I C -0.279 175.853 176.117 0.025 0.000 0.998 332 I CA -0.712 60.617 61.300 0.047 0.000 1.267 332 I CB 1.323 39.384 38.000 0.102 0.000 1.386 332 I HN 0.534 nan 8.210 nan 0.000 0.476 333 I N 5.381 125.957 120.570 0.010 0.000 2.406 333 I HA 0.268 4.438 4.170 -0.000 0.000 0.290 333 I C -0.515 175.599 176.117 -0.004 0.000 0.999 333 I CA -0.541 60.760 61.300 0.001 0.000 1.124 333 I CB 1.445 39.442 38.000 -0.005 0.000 1.289 333 I HN 0.582 nan 8.210 nan 0.000 0.441 334 D N 4.886 125.284 120.400 -0.003 0.000 4.028 334 D HA -0.131 4.509 4.640 -0.000 0.000 0.233 334 D C -0.042 176.251 176.300 -0.011 0.000 1.080 334 D CA 0.966 54.961 54.000 -0.008 0.000 1.181 334 D CB -0.057 40.736 40.800 -0.013 0.000 0.815 334 D HN 0.813 nan 8.370 nan 0.000 0.401 335 G N 1.955 110.750 108.800 -0.007 0.000 2.356 335 G HA2 0.441 4.401 3.960 -0.000 0.000 0.298 335 G HA3 0.441 4.401 3.960 -0.000 0.000 0.298 335 G C 1.413 176.304 174.900 -0.015 0.000 1.145 335 G CA -0.364 44.730 45.100 -0.009 0.000 0.850 335 G HN 0.404 nan 8.290 nan 0.000 0.487 336 V N 2.873 122.773 119.914 -0.023 0.000 2.469 336 V HA -0.087 4.033 4.120 -0.000 0.000 0.251 336 V C 2.324 178.410 176.094 -0.014 0.000 1.064 336 V CA 1.406 63.691 62.300 -0.024 0.000 1.066 336 V CB -1.294 30.508 31.823 -0.035 0.000 0.667 336 V HN 0.866 nan 8.190 nan 0.000 0.461 337 G N 1.458 110.253 108.800 -0.009 0.000 2.163 337 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.239 337 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.239 337 G C 0.078 174.974 174.900 -0.006 0.000 1.148 337 G CA -0.148 44.949 45.100 -0.005 0.000 0.880 337 G HN 0.399 nan 8.290 nan 0.000 0.466 338 E N 1.812 122.009 120.200 -0.005 0.000 2.404 338 E HA 0.026 4.376 4.350 -0.000 0.000 0.261 338 E C 1.155 177.752 176.600 -0.005 0.000 1.074 338 E CA -0.016 56.382 56.400 -0.004 0.000 0.917 338 E CB 1.068 30.766 29.700 -0.003 0.000 0.965 338 E HN 0.718 nan 8.360 nan 0.000 0.433 339 E N 0.786 120.983 120.200 -0.005 0.000 2.299 339 E HA -0.049 4.301 4.350 -0.000 0.000 0.193 339 E C 1.667 178.265 176.600 -0.005 0.000 0.998 339 E CA 0.621 57.019 56.400 -0.005 0.000 0.851 339 E CB 0.130 29.828 29.700 -0.005 0.000 0.795 339 E HN 0.534 nan 8.360 nan 0.000 0.492 340 A N 1.758 124.575 122.820 -0.005 0.000 1.902 340 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 340 A C 2.398 179.979 177.584 -0.005 0.000 1.181 340 A CA 1.691 53.725 52.037 -0.005 0.000 0.623 340 A CB -0.561 18.436 19.000 -0.004 0.000 0.818 340 A HN 0.285 nan 8.150 nan 0.000 0.443 341 A N -0.096 122.721 122.820 -0.005 0.000 1.873 341 A HA -0.016 4.304 4.320 -0.000 0.000 0.215 341 A C 2.145 179.725 177.584 -0.007 0.000 1.186 341 A CA 1.425 53.458 52.037 -0.006 0.000 0.616 341 A CB -0.584 18.413 19.000 -0.005 0.000 0.823 341 A HN 0.483 nan 8.150 nan 0.000 0.442 342 I N -1.026 119.541 120.570 -0.006 0.000 2.090 342 I HA -0.276 3.894 4.170 -0.000 0.000 0.236 342 I C 2.763 178.876 176.117 -0.007 0.000 1.064 342 I CA 1.850 63.146 61.300 -0.007 0.000 1.324 342 I CB -0.486 37.511 38.000 -0.005 0.000 1.044 342 I HN 0.326 nan 8.210 nan 0.000 0.399 343 Q N 1.353 121.149 119.800 -0.006 0.000 2.197 343 Q HA -0.167 4.173 4.340 -0.000 0.000 0.207 343 Q C 1.999 177.994 176.000 -0.008 0.000 0.984 343 Q CA 2.069 57.868 55.803 -0.007 0.000 0.869 343 Q CB -0.811 27.923 28.738 -0.006 0.000 0.906 343 Q HN 0.550 nan 8.270 nan 0.000 0.426 344 G N -0.334 108.461 108.800 -0.008 0.000 2.418 344 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.217 344 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.217 344 G C 1.558 176.452 174.900 -0.011 0.000 1.158 344 G CA 0.808 45.903 45.100 -0.009 0.000 0.771 344 G HN 0.376 nan 8.290 nan 0.000 0.545 345 R N -0.097 120.396 120.500 -0.012 0.000 2.236 345 R HA 0.145 4.485 4.340 -0.000 0.000 0.208 345 R C 2.362 178.653 176.300 -0.016 0.000 1.036 345 R CA 0.626 56.717 56.100 -0.015 0.000 1.001 345 R CB -0.308 29.983 30.300 -0.016 0.000 0.896 345 R HN 0.220 nan 8.270 nan 0.000 0.464 346 V N 0.319 120.226 119.914 -0.013 0.000 2.307 346 V HA -0.151 3.969 4.120 -0.000 0.000 0.245 346 V C 2.202 178.288 176.094 -0.013 0.000 1.045 346 V CA 1.965 64.257 62.300 -0.013 0.000 1.024 346 V CB -0.610 31.207 31.823 -0.010 0.000 0.651 346 V HN 0.522 nan 8.190 nan 0.000 0.449 347 A N -1.224 121.588 122.820 -0.012 0.000 2.066 347 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 347 A C 2.141 179.717 177.584 -0.013 0.000 1.157 347 A CA 1.208 53.238 52.037 -0.012 0.000 0.670 347 A CB -0.312 18.682 19.000 -0.010 0.000 0.804 347 A HN 0.631 nan 8.150 nan 0.000 0.453 348 Q N -0.396 119.395 119.800 -0.015 0.000 2.083 348 Q HA -0.048 4.292 4.340 -0.000 0.000 0.198 348 Q C 1.941 177.929 176.000 -0.019 0.000 0.969 348 Q CA 1.463 57.256 55.803 -0.016 0.000 0.838 348 Q CB -0.251 28.476 28.738 -0.017 0.000 0.900 348 Q HN 0.767 nan 8.270 nan 0.000 0.436 349 I N 0.054 120.611 120.570 -0.022 0.000 2.233 349 I HA -0.222 3.948 4.170 -0.000 0.000 0.243 349 I C 2.543 178.646 176.117 -0.024 0.000 1.093 349 I CA 0.832 62.116 61.300 -0.026 0.000 1.380 349 I CB -0.337 37.646 38.000 -0.029 0.000 1.067 349 I HN 0.099 nan 8.210 nan 0.000 0.413 350 R N 1.060 121.548 120.500 -0.020 0.000 2.113 350 R HA -0.284 4.056 4.340 -0.000 0.000 0.244 350 R C 2.432 178.723 176.300 -0.016 0.000 1.142 350 R CA 2.091 58.181 56.100 -0.017 0.000 0.953 350 R CB -0.336 29.956 30.300 -0.013 0.000 0.860 350 R HN 0.414 nan 8.270 nan 0.000 0.438 351 Q N -0.064 119.727 119.800 -0.015 0.000 2.224 351 Q HA -0.182 4.158 4.340 -0.000 0.000 0.203 351 Q C 1.591 177.581 176.000 -0.015 0.000 0.970 351 Q CA 1.357 57.152 55.803 -0.013 0.000 0.865 351 Q CB 0.176 28.907 28.738 -0.012 0.000 0.922 351 Q HN 0.539 nan 8.270 nan 0.000 0.445 352 Q N -0.215 119.574 119.800 -0.019 0.000 2.472 352 Q HA 0.002 4.342 4.340 -0.000 0.000 0.208 352 Q C 1.683 177.669 176.000 -0.024 0.000 0.958 352 Q CA 0.311 56.101 55.803 -0.022 0.000 0.932 352 Q CB 0.248 28.969 28.738 -0.027 0.000 1.007 352 Q HN 0.455 nan 8.270 nan 0.000 0.508 353 I N 0.546 121.103 120.570 -0.022 0.000 2.617 353 I HA -0.188 3.982 4.170 -0.000 0.000 0.256 353 I C 1.816 177.925 176.117 -0.015 0.000 1.167 353 I CA 0.675 61.962 61.300 -0.021 0.000 1.469 353 I CB 0.097 38.085 38.000 -0.020 0.000 1.098 353 I HN 0.086 nan 8.210 nan 0.000 0.436 354 E N 0.891 121.083 120.200 -0.012 0.000 2.112 354 E HA -0.144 4.206 4.350 -0.000 0.000 0.190 354 E C 1.754 178.350 176.600 -0.007 0.000 0.979 354 E CA 0.888 57.283 56.400 -0.008 0.000 0.814 354 E CB -0.251 29.444 29.700 -0.008 0.000 0.762 354 E HN 0.541 nan 8.360 nan 0.000 0.460 355 E N 0.952 121.146 120.200 -0.009 0.000 2.478 355 E HA 0.067 4.417 4.350 -0.000 0.000 0.198 355 E C 0.288 176.884 176.600 -0.007 0.000 1.046 355 E CA 0.106 56.501 56.400 -0.008 0.000 0.870 355 E CB 0.150 29.844 29.700 -0.010 0.000 0.818 355 E HN 0.059 nan 8.360 nan 0.000 0.527 356 A N 1.478 124.293 122.820 -0.008 0.000 2.444 356 A HA 0.074 4.394 4.320 -0.000 0.000 0.273 356 A C 1.224 178.810 177.584 0.003 0.000 1.136 356 A CA -0.091 51.943 52.037 -0.006 0.000 0.799 356 A CB -0.026 18.966 19.000 -0.014 0.000 1.081 356 A HN 0.202 nan 8.150 nan 0.000 0.509 357 T N -0.259 114.300 114.554 0.009 0.000 3.129 357 T HA 0.243 4.593 4.350 -0.000 0.000 0.251 357 T C 0.697 175.412 174.700 0.025 0.000 1.117 357 T CA 0.644 62.753 62.100 0.015 0.000 1.034 357 T CB -0.148 68.729 68.868 0.014 0.000 0.968 357 T HN 0.590 nan 8.240 nan 0.000 0.526 358 S N -0.629 115.091 115.700 0.033 0.000 2.599 358 S HA 0.398 4.868 4.470 -0.000 0.000 0.287 358 S C -0.031 174.603 174.600 0.057 0.000 1.105 358 S CA -0.706 57.527 58.200 0.055 0.000 0.899 358 S CB 1.711 64.963 63.200 0.087 0.000 1.100 358 S HN 0.100 nan 8.310 nan 0.000 0.482 359 D N 1.073 121.517 120.400 0.074 0.000 2.162 359 D HA -0.040 4.600 4.640 -0.000 0.000 0.203 359 D C 1.259 177.619 176.300 0.101 0.000 0.967 359 D CA 1.138 55.180 54.000 0.070 0.000 0.840 359 D CB -0.146 40.694 40.800 0.067 0.000 0.972 359 D HN 0.647 nan 8.370 nan 0.000 0.482 360 Y N 2.371 122.679 120.300 0.013 0.000 2.092 360 Y HA -0.202 4.348 4.550 -0.000 0.000 0.282 360 Y C 1.645 177.554 175.900 0.015 0.000 1.126 360 Y CA 1.792 59.903 58.100 0.018 0.000 1.111 360 Y CB -0.474 38.001 38.460 0.024 0.000 0.987 360 Y HN -0.213 nan 8.280 nan 0.000 0.489 361 D N 0.084 120.451 120.400 -0.056 0.000 2.192 361 D HA -0.283 4.357 4.640 -0.000 0.000 0.189 361 D C 2.293 178.492 176.300 -0.168 0.000 1.007 361 D CA 2.230 56.137 54.000 -0.155 0.000 0.859 361 D CB -0.402 40.387 40.800 -0.019 0.000 0.936 361 D HN 0.308 nan 8.370 nan 0.000 0.447 362 R N 0.152 120.602 120.500 -0.083 0.000 2.091 362 R HA -0.140 4.200 4.340 -0.000 0.000 0.238 362 R C 2.115 178.365 176.300 -0.083 0.000 1.136 362 R CA 1.445 57.507 56.100 -0.063 0.000 0.959 362 R CB -0.036 30.250 30.300 -0.024 0.000 0.856 362 R HN 0.325 nan 8.270 nan 0.000 0.437 363 E N -0.269 119.872 120.200 -0.098 0.000 2.150 363 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 363 E C 1.867 178.395 176.600 -0.120 0.000 0.985 363 E CA 0.747 57.098 56.400 -0.082 0.000 0.814 363 E CB 0.201 29.874 29.700 -0.044 0.000 0.752 363 E HN 0.120 nan 8.360 nan 0.000 0.466 364 K N 0.611 120.877 120.400 -0.225 0.000 2.057 364 K HA -0.068 4.252 4.320 -0.000 0.000 0.206 364 K C 2.146 178.671 176.600 -0.124 0.000 1.050 364 K CA 0.798 56.961 56.287 -0.206 0.000 0.935 364 K CB -0.270 32.025 32.500 -0.341 0.000 0.715 364 K HN 0.216 nan 8.250 nan 0.000 0.439 365 L N 0.893 122.046 121.223 -0.118 0.000 2.201 365 L HA -0.160 4.180 4.340 -0.000 0.000 0.212 365 L C 2.258 179.096 176.870 -0.053 0.000 1.105 365 L CA 1.091 55.885 54.840 -0.077 0.000 0.775 365 L CB -0.268 41.749 42.059 -0.069 0.000 0.913 365 L HN 0.202 nan 8.230 nan 0.000 0.440 366 Q N -0.607 119.164 119.800 -0.049 0.000 2.354 366 Q HA -0.086 4.254 4.340 -0.000 0.000 0.203 366 Q C 1.912 177.897 176.000 -0.025 0.000 0.933 366 Q CA 0.470 56.254 55.803 -0.032 0.000 0.901 366 Q CB 0.235 28.957 28.738 -0.026 0.000 1.007 366 Q HN 0.492 nan 8.270 nan 0.000 0.495 367 E N 0.917 121.098 120.200 -0.031 0.000 2.017 367 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 367 E C 1.992 178.584 176.600 -0.013 0.000 0.997 367 E CA 0.813 57.202 56.400 -0.018 0.000 0.804 367 E CB -0.070 29.616 29.700 -0.023 0.000 0.757 367 E HN 0.240 nan 8.360 nan 0.000 0.448 368 R N 0.556 121.042 120.500 -0.023 0.000 2.113 368 R HA -0.174 4.166 4.340 -0.000 0.000 0.244 368 R C 2.662 178.953 176.300 -0.014 0.000 1.142 368 R CA 1.963 58.051 56.100 -0.020 0.000 0.953 368 R CB -0.805 29.474 30.300 -0.034 0.000 0.860 368 R HN 0.252 nan 8.270 nan 0.000 0.438 369 V N -2.166 117.738 119.914 -0.018 0.000 2.809 369 V HA 0.004 4.124 4.120 -0.000 0.000 0.256 369 V C 2.256 178.346 176.094 -0.008 0.000 1.080 369 V CA 1.509 63.800 62.300 -0.013 0.000 1.102 369 V CB -0.739 31.074 31.823 -0.016 0.000 0.705 369 V HN 0.238 nan 8.190 nan 0.000 0.475 370 A N 1.034 123.850 122.820 -0.007 0.000 1.873 370 A HA -0.128 4.192 4.320 -0.000 0.000 0.215 370 A C 2.340 179.926 177.584 0.003 0.000 1.186 370 A CA 2.039 54.075 52.037 -0.003 0.000 0.616 370 A CB -0.478 18.521 19.000 -0.002 0.000 0.823 370 A HN 0.585 nan 8.150 nan 0.000 0.442 371 K N -0.883 119.522 120.400 0.008 0.000 2.025 371 K HA -0.037 4.283 4.320 -0.000 0.000 0.207 371 K C 1.806 178.415 176.600 0.016 0.000 1.049 371 K CA 1.262 57.561 56.287 0.019 0.000 0.933 371 K CB -0.324 32.197 32.500 0.035 0.000 0.714 371 K HN 0.291 nan 8.250 nan 0.000 0.438 372 L N 0.656 121.884 121.223 0.009 0.000 2.007 372 L HA -0.066 4.274 4.340 -0.000 0.000 0.205 372 L C 2.363 179.234 176.870 0.002 0.000 1.073 372 L CA 1.724 56.568 54.840 0.006 0.000 0.744 372 L CB -0.751 41.307 42.059 -0.002 0.000 0.898 372 L HN 0.128 nan 8.230 nan 0.000 0.435 373 A N -0.783 122.037 122.820 -0.001 0.000 2.066 373 A HA 0.013 4.333 4.320 -0.000 0.000 0.218 373 A C 2.270 179.854 177.584 -0.001 0.000 1.157 373 A CA 1.349 53.385 52.037 -0.002 0.000 0.670 373 A CB -1.085 17.912 19.000 -0.005 0.000 0.804 373 A HN 0.444 nan 8.150 nan 0.000 0.453 374 G N -1.117 107.683 108.800 0.000 0.000 2.551 374 G HA2 0.381 4.341 3.960 -0.000 0.000 0.216 374 G HA3 0.381 4.341 3.960 -0.000 0.000 0.216 374 G C 1.123 176.023 174.900 0.000 0.000 1.137 374 G CA 0.647 45.747 45.100 -0.000 0.000 0.798 374 G HN 1.468 nan 8.290 nan 0.000 0.536 375 G N -1.123 107.679 108.800 0.003 0.000 2.668 375 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.266 375 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.266 375 G C -0.458 174.443 174.900 0.002 0.000 1.328 375 G CA -0.015 45.087 45.100 0.004 0.000 0.911 375 G HN 0.965 nan 8.290 nan 0.000 0.567 376 V N 0.259 120.173 119.914 0.000 0.000 2.588 376 V HA 0.721 4.841 4.120 -0.000 0.000 0.304 376 V C 0.649 176.739 176.094 -0.006 0.000 1.042 376 V CA -0.048 62.249 62.300 -0.003 0.000 0.877 376 V CB 1.545 33.367 31.823 -0.002 0.000 0.996 376 V HN 1.940 nan 8.190 nan 0.000 0.425 377 A N 4.697 127.511 122.820 -0.009 0.000 2.252 377 A HA 0.760 5.080 4.320 -0.000 0.000 0.309 377 A C -0.581 176.998 177.584 -0.009 0.000 1.285 377 A CA -0.395 51.637 52.037 -0.009 0.000 0.900 377 A CB 0.824 19.818 19.000 -0.010 0.000 1.157 377 A HN 0.675 nan 8.150 nan 0.000 0.536 378 V N 4.679 124.588 119.914 -0.007 0.000 2.394 378 V HA 0.309 4.429 4.120 -0.000 0.000 0.282 378 V C -0.115 175.976 176.094 -0.005 0.000 1.031 378 V CA -0.140 62.156 62.300 -0.006 0.000 0.881 378 V CB 1.213 33.033 31.823 -0.006 0.000 0.982 378 V HN 0.734 nan 8.190 nan 0.000 0.451 379 I N 5.498 126.065 120.570 -0.004 0.000 2.330 379 I HA 0.368 4.538 4.170 -0.000 0.000 0.286 379 I C 0.208 176.324 176.117 -0.002 0.000 1.025 379 I CA -0.407 60.891 61.300 -0.003 0.000 1.197 379 I CB 0.928 38.927 38.000 -0.002 0.000 1.358 379 I HN 0.482 nan 8.210 nan 0.000 0.467 380 K N 6.124 126.523 120.400 -0.002 0.000 2.257 380 K HA 0.367 4.687 4.320 -0.000 0.000 0.270 380 K C -0.579 176.020 176.600 -0.001 0.000 1.098 380 K CA -0.526 55.760 56.287 -0.002 0.000 0.943 380 K CB 1.270 33.769 32.500 -0.003 0.000 1.316 380 K HN 0.348 nan 8.250 nan 0.000 0.447 381 V N 2.202 122.116 119.914 -0.000 0.000 2.585 381 V HA 0.154 4.274 4.120 -0.000 0.000 0.296 381 V C 0.925 177.019 176.094 -0.000 0.000 1.035 381 V CA -0.260 62.040 62.300 0.000 0.000 1.084 381 V CB 0.963 32.787 31.823 0.001 0.000 0.953 381 V HN 0.849 nan 8.190 nan 0.000 0.483 382 G N 2.454 111.253 108.800 -0.001 0.000 2.495 382 G HA2 0.668 4.628 3.960 -0.000 0.000 0.318 382 G HA3 0.668 4.628 3.960 -0.000 0.000 0.318 382 G C 0.036 174.935 174.900 -0.001 0.000 1.257 382 G CA 0.077 45.177 45.100 -0.001 0.000 0.962 382 G HN 1.120 nan 8.290 nan 0.000 0.483 383 A N 0.453 123.272 122.820 -0.001 0.000 2.726 383 A HA 0.798 5.118 4.320 -0.000 0.000 0.192 383 A C 0.755 178.339 177.584 -0.001 0.000 1.412 383 A CA 1.093 53.129 52.037 -0.001 0.000 1.073 383 A CB -0.511 18.488 19.000 -0.001 0.000 1.331 383 A HN 2.783 nan 8.150 nan 0.000 0.537 384 A N -0.295 122.525 122.820 -0.001 0.000 2.435 384 A HA 0.478 4.798 4.320 -0.000 0.000 0.686 384 A C 1.033 178.617 177.584 -0.001 0.000 0.138 384 A CA 0.688 52.724 52.037 -0.001 0.000 0.024 384 A CB -2.575 16.425 19.000 -0.001 0.000 3.974 384 A HN 3.130 nan 8.150 nan 0.000 0.548 385 T N -0.647 113.906 114.554 -0.001 0.000 0.541 385 T HA -0.168 4.182 4.350 -0.000 0.000 0.774 385 T C 0.490 175.189 174.700 -0.001 0.000 0.992 385 T CA 1.872 63.971 62.100 -0.001 0.000 4.077 385 T CB -0.675 68.192 68.868 -0.001 0.000 2.303 385 T HN 2.063 nan 8.240 nan 0.000 0.398 386 E N 1.180 121.379 120.200 -0.001 0.000 2.204 386 E HA -0.088 4.262 4.350 -0.000 0.000 0.195 386 E C 2.096 178.696 176.600 -0.001 0.000 0.990 386 E CA 1.572 57.971 56.400 -0.001 0.000 0.821 386 E CB -0.080 29.619 29.700 -0.001 0.000 0.750 386 E HN 0.646 nan 8.360 nan 0.000 0.477 387 V N 1.299 121.213 119.914 -0.001 0.000 2.237 387 V HA -0.265 3.855 4.120 -0.000 0.000 0.245 387 V C 2.040 178.133 176.094 -0.001 0.000 1.046 387 V CA 2.168 64.468 62.300 -0.001 0.000 1.007 387 V CB -0.604 31.219 31.823 -0.001 0.000 0.638 387 V HN 0.279 nan 8.190 nan 0.000 0.445 388 E N -0.376 119.823 120.200 -0.001 0.000 2.160 388 E HA -0.246 4.104 4.350 -0.000 0.000 0.195 388 E C 2.173 178.772 176.600 -0.001 0.000 0.991 388 E CA 1.314 57.714 56.400 -0.001 0.000 0.810 388 E CB -0.244 29.455 29.700 -0.001 0.000 0.742 388 E HN 0.431 nan 8.360 nan 0.000 0.466 389 M N 1.246 120.846 119.600 -0.001 0.000 2.126 389 M HA -0.202 4.278 4.480 -0.000 0.000 0.259 389 M C 1.942 178.242 176.300 0.000 0.000 1.073 389 M CA 1.680 56.979 55.300 -0.000 0.000 1.103 389 M CB -0.278 32.322 32.600 -0.000 0.000 1.284 389 M HN -0.100 nan 8.290 nan 0.000 0.420 390 K N 0.083 120.483 120.400 0.000 0.000 2.152 390 K HA -0.174 4.146 4.320 -0.000 0.000 0.206 390 K C 1.899 178.499 176.600 0.001 0.000 1.048 390 K CA 1.041 57.328 56.287 0.001 0.000 0.933 390 K CB -0.595 31.905 32.500 0.000 0.000 0.721 390 K HN 0.475 nan 8.250 nan 0.000 0.447 391 E N 1.502 121.702 120.200 -0.000 0.000 2.047 391 E HA -0.186 4.164 4.350 -0.000 0.000 0.191 391 E C 1.918 178.518 176.600 0.000 0.000 0.987 391 E CA 1.271 57.670 56.400 -0.001 0.000 0.799 391 E CB 0.076 29.776 29.700 -0.001 0.000 0.752 391 E HN 0.166 nan 8.360 nan 0.000 0.449 392 K N 0.810 121.210 120.400 0.000 0.000 2.209 392 K HA -0.155 4.165 4.320 -0.000 0.000 0.204 392 K C 2.298 178.900 176.600 0.003 0.000 1.048 392 K CA 1.301 57.588 56.287 0.001 0.000 0.940 392 K CB -0.026 32.474 32.500 0.000 0.000 0.729 392 K HN -0.055 nan 8.250 nan 0.000 0.451 393 K N 0.190 120.591 120.400 0.003 0.000 2.002 393 K HA -0.132 4.188 4.320 -0.000 0.000 0.209 393 K C 1.976 178.581 176.600 0.007 0.000 1.048 393 K CA 1.320 57.610 56.287 0.005 0.000 0.930 393 K CB -0.216 32.287 32.500 0.004 0.000 0.714 393 K HN 0.160 nan 8.250 nan 0.000 0.438 394 A N 1.680 124.503 122.820 0.005 0.000 1.908 394 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 394 A C 2.130 179.718 177.584 0.007 0.000 1.181 394 A CA 1.552 53.591 52.037 0.005 0.000 0.627 394 A CB -0.516 18.485 19.000 0.001 0.000 0.818 394 A HN 0.363 nan 8.150 nan 0.000 0.445 395 R N -0.739 119.765 120.500 0.005 0.000 2.092 395 R HA -0.062 4.278 4.340 -0.000 0.000 0.231 395 R C 2.027 178.334 176.300 0.012 0.000 1.119 395 R CA 1.376 57.480 56.100 0.006 0.000 0.970 395 R CB -0.495 29.807 30.300 0.003 0.000 0.864 395 R HN 0.436 nan 8.270 nan 0.000 0.440 396 V N 1.228 121.149 119.914 0.012 0.000 2.358 396 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 396 V C 1.976 178.086 176.094 0.027 0.000 1.047 396 V CA 1.727 64.037 62.300 0.015 0.000 1.035 396 V CB -0.455 31.375 31.823 0.011 0.000 0.658 396 V HN 0.331 nan 8.190 nan 0.000 0.452 397 E N -0.051 120.167 120.200 0.030 0.000 2.209 397 E HA -0.224 4.126 4.350 -0.000 0.000 0.196 397 E C 1.811 178.456 176.600 0.074 0.000 0.993 397 E CA 1.432 57.862 56.400 0.050 0.000 0.819 397 E CB -0.082 29.639 29.700 0.036 0.000 0.745 397 E HN 0.665 nan 8.360 nan 0.000 0.477 398 D N -0.016 120.412 120.400 0.047 0.000 2.202 398 D HA -0.003 4.637 4.640 -0.000 0.000 0.214 398 D C 1.968 178.302 176.300 0.058 0.000 0.967 398 D CA 0.939 54.966 54.000 0.046 0.000 0.871 398 D CB -0.288 40.521 40.800 0.015 0.000 1.020 398 D HN 0.086 nan 8.370 nan 0.000 0.474 399 A N 1.503 124.345 122.820 0.037 0.000 1.873 399 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 399 A C 2.224 179.831 177.584 0.038 0.000 1.193 399 A CA 1.374 53.429 52.037 0.030 0.000 0.629 399 A CB -0.954 18.056 19.000 0.017 0.000 0.826 399 A HN 0.215 nan 8.150 nan 0.000 0.447 400 L N -1.038 120.209 121.223 0.040 0.000 1.989 400 L HA -0.224 4.116 4.340 -0.000 0.000 0.211 400 L C 2.479 179.362 176.870 0.020 0.000 1.071 400 L CA 2.579 57.432 54.840 0.022 0.000 0.749 400 L CB -0.773 41.297 42.059 0.018 0.000 0.890 400 L HN 0.580 nan 8.230 nan 0.000 0.431 401 H N -0.766 118.301 119.070 -0.005 0.000 2.387 401 H HA -0.102 4.454 4.556 -0.000 0.000 0.299 401 H C 1.979 177.306 175.328 -0.002 0.000 1.090 401 H CA 1.376 57.422 56.048 -0.004 0.000 1.332 401 H CB 0.068 29.827 29.762 -0.005 0.000 1.386 401 H HN 0.517 nan 8.280 nan 0.000 0.516 402 A N 0.228 123.129 122.820 0.134 0.000 1.829 402 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 402 A C 2.579 180.188 177.584 0.042 0.000 1.207 402 A CA 2.625 54.708 52.037 0.077 0.000 0.622 402 A CB -1.258 17.771 19.000 0.049 0.000 0.846 402 A HN 0.468 nan 8.150 nan 0.000 0.447 403 T N -0.242 114.327 114.554 0.024 0.000 2.869 403 T HA -0.161 4.189 4.350 -0.000 0.000 0.270 403 T C 1.973 176.669 174.700 -0.007 0.000 1.082 403 T CA 1.308 63.412 62.100 0.007 0.000 1.123 403 T CB -0.295 68.575 68.868 0.002 0.000 0.856 403 T HN 0.284 nan 8.240 nan 0.000 0.499 404 R N 1.376 121.863 120.500 -0.022 0.000 2.096 404 R HA 0.112 4.452 4.340 -0.000 0.000 0.235 404 R C 2.297 178.582 176.300 -0.026 0.000 1.127 404 R CA 1.479 57.545 56.100 -0.056 0.000 0.968 404 R CB -0.806 29.402 30.300 -0.152 0.000 0.861 404 R HN 0.472 nan 8.270 nan 0.000 0.440 405 A N -0.869 121.954 122.820 0.006 0.000 2.275 405 A HA 0.292 4.612 4.320 -0.000 0.000 0.212 405 A C 1.799 179.392 177.584 0.016 0.000 1.201 405 A CA 0.816 52.865 52.037 0.021 0.000 0.843 405 A CB 0.039 19.069 19.000 0.050 0.000 0.873 405 A HN 0.300 nan 8.150 nan 0.000 0.492 406 A N -0.860 121.966 122.820 0.010 0.000 2.063 406 A HA 0.289 4.609 4.320 -0.000 0.000 0.211 406 A C 1.801 179.387 177.584 0.004 0.000 1.177 406 A CA 1.127 53.169 52.037 0.009 0.000 0.759 406 A CB -0.145 18.860 19.000 0.009 0.000 0.857 406 A HN 0.266 nan 8.150 nan 0.000 0.468 407 V N 0.044 119.958 119.914 -0.001 0.000 2.878 407 V HA -0.112 4.008 4.120 -0.000 0.000 0.250 407 V C 2.168 178.260 176.094 -0.002 0.000 1.075 407 V CA 1.702 64.000 62.300 -0.003 0.000 1.096 407 V CB -0.432 31.386 31.823 -0.008 0.000 0.724 407 V HN 0.576 nan 8.190 nan 0.000 0.467 408 E N 0.177 120.375 120.200 -0.002 0.000 2.051 408 E HA -0.122 4.228 4.350 -0.000 0.000 0.189 408 E C 1.754 178.356 176.600 0.003 0.000 0.979 408 E CA 1.261 57.660 56.400 -0.001 0.000 0.803 408 E CB 0.098 29.798 29.700 -0.001 0.000 0.761 408 E HN 0.634 nan 8.360 nan 0.000 0.451 409 E N -0.962 119.241 120.200 0.005 0.000 2.541 409 E HA 0.214 4.564 4.350 -0.000 0.000 0.219 409 E C 0.444 177.048 176.600 0.007 0.000 0.922 409 E CA 0.199 56.603 56.400 0.006 0.000 1.095 409 E CB 1.767 31.471 29.700 0.008 0.000 1.112 409 E HN 0.215 nan 8.360 nan 0.000 0.516 410 G N 1.167 109.972 108.800 0.007 0.000 2.428 410 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.202 410 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.202 410 G C -0.821 174.085 174.900 0.010 0.000 1.247 410 G CA -0.529 44.576 45.100 0.008 0.000 1.020 410 G HN 0.492 nan 8.290 nan 0.000 0.529 411 V N -2.448 117.472 119.914 0.010 0.000 2.808 411 V HA 0.920 5.040 4.120 -0.000 0.000 0.308 411 V C 0.483 176.584 176.094 0.012 0.000 1.099 411 V CA 0.076 62.383 62.300 0.011 0.000 0.920 411 V CB 0.916 32.744 31.823 0.009 0.000 1.014 411 V HN 2.339 nan 8.190 nan 0.000 0.425 412 V N 0.862 120.784 119.914 0.013 0.000 3.229 412 V HA 1.056 5.176 4.120 -0.000 0.000 0.310 412 V C 0.654 176.755 176.094 0.012 0.000 1.206 412 V CA -0.567 61.742 62.300 0.015 0.000 1.051 412 V CB 1.409 33.242 31.823 0.017 0.000 1.183 412 V HN 1.839 nan 8.190 nan 0.000 0.466 413 A N 0.042 122.871 122.820 0.014 0.000 2.401 413 A HA 0.767 5.087 4.320 -0.000 0.000 0.259 413 A C 0.591 178.177 177.584 0.002 0.000 1.103 413 A CA 0.367 52.408 52.037 0.007 0.000 0.789 413 A CB -0.041 18.966 19.000 0.011 0.000 1.035 413 A HN 1.746 nan 8.150 nan 0.000 0.491 414 G N -0.032 108.763 108.800 -0.009 0.000 2.531 414 G HA2 0.531 4.491 3.960 -0.000 0.000 0.281 414 G HA3 0.531 4.491 3.960 -0.000 0.000 0.281 414 G C 0.940 175.831 174.900 -0.015 0.000 1.382 414 G CA -0.110 44.984 45.100 -0.010 0.000 1.045 414 G HN 2.192 nan 8.290 nan 0.000 0.533 415 G N -1.612 107.179 108.800 -0.014 0.000 2.323 415 G HA2 0.214 4.174 3.960 -0.000 0.000 0.292 415 G HA3 0.214 4.174 3.960 -0.000 0.000 0.292 415 G C 1.438 176.343 174.900 0.009 0.000 1.040 415 G CA 1.085 46.181 45.100 -0.007 0.000 0.942 415 G HN 2.372 nan 8.290 nan 0.000 0.506 416 G N -2.081 106.725 108.800 0.010 0.000 2.352 416 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.295 416 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.295 416 G C 1.700 176.613 174.900 0.021 0.000 0.991 416 G CA 1.940 47.050 45.100 0.016 0.000 0.796 416 G HN 2.274 nan 8.290 nan 0.000 0.511 417 V N -3.415 116.511 119.914 0.020 0.000 2.871 417 V HA 0.388 4.508 4.120 -0.000 0.000 0.256 417 V C 2.691 178.804 176.094 0.032 0.000 1.082 417 V CA 1.643 63.959 62.300 0.028 0.000 1.105 417 V CB -0.520 31.314 31.823 0.018 0.000 0.713 417 V HN 1.047 nan 8.190 nan 0.000 0.473 418 A N 1.079 123.914 122.820 0.025 0.000 1.902 418 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 418 A C 2.204 179.805 177.584 0.028 0.000 1.181 418 A CA 2.182 54.235 52.037 0.027 0.000 0.623 418 A CB -0.654 18.359 19.000 0.021 0.000 0.818 418 A HN 0.581 nan 8.150 nan 0.000 0.443 419 L N -0.968 120.270 121.223 0.025 0.000 2.046 419 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 419 L C 2.520 179.406 176.870 0.027 0.000 1.077 419 L CA 1.444 56.298 54.840 0.024 0.000 0.747 419 L CB -0.405 41.667 42.059 0.022 0.000 0.896 419 L HN 0.456 nan 8.230 nan 0.000 0.432 420 I N -0.279 120.310 120.570 0.032 0.000 2.286 420 I HA -0.290 3.880 4.170 -0.000 0.000 0.248 420 I C 2.728 178.870 176.117 0.042 0.000 1.115 420 I CA 1.043 62.365 61.300 0.037 0.000 1.392 420 I CB 0.058 38.083 38.000 0.042 0.000 1.065 420 I HN 0.176 nan 8.210 nan 0.000 0.418 421 R N -0.079 120.449 120.500 0.047 0.000 2.193 421 R HA -0.013 4.327 4.340 -0.000 0.000 0.213 421 R C 1.724 178.047 176.300 0.039 0.000 1.055 421 R CA 1.244 57.376 56.100 0.053 0.000 0.995 421 R CB -0.426 29.911 30.300 0.062 0.000 0.893 421 R HN 0.246 nan 8.270 nan 0.000 0.459 422 V N 0.143 120.076 119.914 0.031 0.000 2.649 422 V HA 0.074 4.194 4.120 -0.000 0.000 0.248 422 V C 2.048 178.154 176.094 0.021 0.000 1.054 422 V CA 1.341 63.655 62.300 0.024 0.000 1.073 422 V CB 0.025 31.860 31.823 0.020 0.000 0.699 422 V HN 0.461 nan 8.190 nan 0.000 0.463 423 A N 0.771 123.604 122.820 0.023 0.000 1.854 423 A HA -0.169 4.151 4.320 -0.000 0.000 0.214 423 A C 2.563 180.159 177.584 0.021 0.000 1.192 423 A CA 1.995 54.044 52.037 0.020 0.000 0.611 423 A CB -0.837 18.176 19.000 0.021 0.000 0.832 423 A HN 0.637 nan 8.150 nan 0.000 0.442 424 S N 0.342 116.058 115.700 0.026 0.000 2.383 424 S HA -0.201 4.269 4.470 -0.000 0.000 0.229 424 S C 1.640 176.253 174.600 0.021 0.000 1.030 424 S CA 1.638 59.854 58.200 0.026 0.000 1.002 424 S CB -0.492 62.729 63.200 0.036 0.000 0.829 424 S HN 0.574 nan 8.310 nan 0.000 0.467 425 K N 0.664 121.077 120.400 0.022 0.000 2.555 425 K HA 0.222 4.542 4.320 -0.000 0.000 0.193 425 K C 0.399 177.006 176.600 0.013 0.000 1.032 425 K CA 0.432 56.730 56.287 0.017 0.000 1.004 425 K CB -0.226 32.285 32.500 0.019 0.000 0.804 425 K HN 0.441 nan 8.250 nan 0.000 0.496 426 L N -0.250 120.981 121.223 0.012 0.000 3.209 426 L HA 0.248 4.588 4.340 -0.000 0.000 0.279 426 L C 1.265 178.141 176.870 0.009 0.000 1.301 426 L CA -0.279 54.567 54.840 0.010 0.000 1.004 426 L CB 0.711 42.775 42.059 0.009 0.000 1.402 426 L HN 0.007 nan 8.230 nan 0.000 0.577 427 A N -0.433 122.392 122.820 0.009 0.000 1.930 427 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 427 A C 1.690 179.277 177.584 0.006 0.000 1.175 427 A CA 1.384 53.425 52.037 0.008 0.000 0.627 427 A CB -0.094 18.911 19.000 0.008 0.000 0.815 427 A HN 0.362 nan 8.150 nan 0.000 0.443 428 D N -0.715 119.688 120.400 0.005 0.000 2.363 428 D HA 0.034 4.674 4.640 -0.000 0.000 0.220 428 D C 0.190 176.493 176.300 0.004 0.000 0.994 428 D CA 0.108 54.110 54.000 0.004 0.000 0.890 428 D CB -0.105 40.697 40.800 0.003 0.000 0.906 428 D HN 0.312 nan 8.370 nan 0.000 0.530 429 L N 2.555 123.780 121.223 0.004 0.000 2.456 429 L HA 0.060 4.400 4.340 -0.000 0.000 0.277 429 L C 0.109 176.981 176.870 0.003 0.000 1.124 429 L CA 0.352 55.194 54.840 0.004 0.000 0.880 429 L CB -0.042 42.020 42.059 0.004 0.000 1.192 429 L HN -0.258 nan 8.230 nan 0.000 0.463 430 R N 3.244 123.746 120.500 0.003 0.000 2.832 430 R HA 0.655 4.995 4.340 -0.000 0.000 0.271 430 R C 0.235 176.537 176.300 0.002 0.000 0.996 430 R CA -0.192 55.910 56.100 0.003 0.000 0.977 430 R CB 1.361 31.663 30.300 0.002 0.000 1.168 430 R HN 0.732 nan 8.270 nan 0.000 0.482 431 G N -0.082 108.719 108.800 0.002 0.000 3.365 431 G HA2 0.088 4.048 3.960 -0.000 0.000 0.185 431 G HA3 0.088 4.048 3.960 -0.000 0.000 0.185 431 G C 0.283 175.184 174.900 0.002 0.000 1.565 431 G CA 0.097 45.198 45.100 0.002 0.000 0.984 431 G HN 0.460 nan 8.290 nan 0.000 0.604 432 Q N -0.720 119.081 119.800 0.002 0.000 2.477 432 Q HA 0.180 4.520 4.340 -0.000 0.000 0.252 432 Q C 0.020 176.022 176.000 0.002 0.000 0.869 432 Q CA 0.233 56.037 55.803 0.002 0.000 0.969 432 Q CB 0.577 29.316 28.738 0.002 0.000 1.144 432 Q HN 0.628 nan 8.270 nan 0.000 0.577 433 N N -1.271 117.431 118.700 0.003 0.000 2.701 433 N HA 0.176 4.916 4.740 -0.000 0.000 0.290 433 N C 0.010 175.522 175.510 0.003 0.000 1.338 433 N CA -0.600 52.452 53.050 0.003 0.000 0.799 433 N CB 0.706 39.195 38.487 0.003 0.000 1.491 433 N HN -0.329 nan 8.380 nan 0.000 0.540 434 K N -0.379 120.022 120.400 0.003 0.000 2.062 434 K HA 0.022 4.342 4.320 -0.000 0.000 0.205 434 K C 0.449 177.051 176.600 0.004 0.000 1.051 434 K CA 1.411 57.700 56.287 0.003 0.000 0.941 434 K CB -0.637 31.864 32.500 0.003 0.000 0.719 434 K HN 0.606 nan 8.250 nan 0.000 0.440 435 D N 0.653 121.056 120.400 0.004 0.000 2.133 435 D HA -0.190 4.450 4.640 -0.000 0.000 0.195 435 D C 1.889 178.192 176.300 0.005 0.000 0.997 435 D CA 1.266 55.269 54.000 0.005 0.000 0.840 435 D CB -0.131 40.672 40.800 0.005 0.000 0.947 435 D HN 0.393 nan 8.370 nan 0.000 0.452 436 Q N -0.040 119.763 119.800 0.005 0.000 2.124 436 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 436 Q C 1.720 177.723 176.000 0.004 0.000 0.977 436 Q CA 0.949 56.754 55.803 0.005 0.000 0.850 436 Q CB -0.154 28.586 28.738 0.004 0.000 0.901 436 Q HN 0.266 nan 8.270 nan 0.000 0.429 437 N N -0.022 118.680 118.700 0.004 0.000 2.309 437 N HA -0.100 4.640 4.740 -0.000 0.000 0.182 437 N C 1.693 177.206 175.510 0.005 0.000 1.018 437 N CA 0.788 53.840 53.050 0.004 0.000 0.876 437 N CB -0.119 38.370 38.487 0.004 0.000 0.972 437 N HN 0.042 nan 8.380 nan 0.000 0.434 438 V N 0.014 119.931 119.914 0.005 0.000 2.453 438 V HA -0.046 4.074 4.120 -0.000 0.000 0.247 438 V C 2.347 178.445 176.094 0.006 0.000 1.048 438 V CA 1.842 64.145 62.300 0.005 0.000 1.049 438 V CB -1.124 30.702 31.823 0.005 0.000 0.672 438 V HN 0.323 nan 8.190 nan 0.000 0.457 439 G N 0.033 108.837 108.800 0.006 0.000 2.422 439 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.218 439 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.218 439 G C 1.569 176.473 174.900 0.007 0.000 1.146 439 G CA 0.846 45.950 45.100 0.007 0.000 0.769 439 G HN 0.485 nan 8.290 nan 0.000 0.547 440 I N 0.194 120.767 120.570 0.006 0.000 2.252 440 I HA -0.108 4.062 4.170 -0.000 0.000 0.245 440 I C 2.666 178.787 176.117 0.007 0.000 1.102 440 I CA 0.874 62.178 61.300 0.006 0.000 1.385 440 I CB -0.094 37.909 38.000 0.005 0.000 1.064 440 I HN -0.003 nan 8.210 nan 0.000 0.414 441 K N 0.619 121.023 120.400 0.007 0.000 2.097 441 K HA -0.077 4.243 4.320 -0.000 0.000 0.206 441 K C 2.136 178.741 176.600 0.008 0.000 1.049 441 K CA 1.033 57.324 56.287 0.007 0.000 0.933 441 K CB -0.508 31.996 32.500 0.006 0.000 0.717 441 K HN 0.223 nan 8.250 nan 0.000 0.442 442 V N 1.556 121.475 119.914 0.008 0.000 2.343 442 V HA -0.229 3.891 4.120 -0.000 0.000 0.247 442 V C 2.493 178.593 176.094 0.010 0.000 1.051 442 V CA 1.916 64.221 62.300 0.009 0.000 1.036 442 V CB -0.780 31.048 31.823 0.009 0.000 0.654 442 V HN 0.270 nan 8.190 nan 0.000 0.451 443 A N -0.028 122.798 122.820 0.010 0.000 1.877 443 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 443 A C 2.219 179.809 177.584 0.011 0.000 1.186 443 A CA 1.807 53.850 52.037 0.011 0.000 0.620 443 A CB -0.564 18.441 19.000 0.009 0.000 0.822 443 A HN 0.484 nan 8.150 nan 0.000 0.443 444 L N -0.991 120.238 121.223 0.011 0.000 1.989 444 L HA -0.229 4.111 4.340 -0.000 0.000 0.211 444 L C 2.820 179.698 176.870 0.013 0.000 1.071 444 L CA 1.802 56.650 54.840 0.012 0.000 0.749 444 L CB -0.545 41.521 42.059 0.011 0.000 0.890 444 L HN 0.334 nan 8.230 nan 0.000 0.431 445 R N -0.213 120.294 120.500 0.012 0.000 2.193 445 R HA -0.122 4.218 4.340 -0.000 0.000 0.229 445 R C 2.299 178.607 176.300 0.012 0.000 1.110 445 R CA 1.073 57.180 56.100 0.012 0.000 0.988 445 R CB -0.388 29.918 30.300 0.010 0.000 0.871 445 R HN 0.399 nan 8.270 nan 0.000 0.458 446 A N 0.756 123.584 122.820 0.013 0.000 1.970 446 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 446 A C 2.046 179.639 177.584 0.016 0.000 1.170 446 A CA 0.801 52.846 52.037 0.014 0.000 0.645 446 A CB -0.219 18.790 19.000 0.015 0.000 0.816 446 A HN 0.160 nan 8.150 nan 0.000 0.447 447 M N -0.336 119.274 119.600 0.016 0.000 2.296 447 M HA -0.137 4.343 4.480 -0.000 0.000 0.265 447 M C 1.684 177.995 176.300 0.019 0.000 1.064 447 M CA 1.340 56.650 55.300 0.018 0.000 1.109 447 M CB -0.447 32.163 32.600 0.018 0.000 1.396 447 M HN 0.485 nan 8.290 nan 0.000 0.430 448 E N 0.965 121.176 120.200 0.018 0.000 2.152 448 E HA -0.085 4.265 4.350 -0.000 0.000 0.192 448 E C 2.223 178.832 176.600 0.016 0.000 0.983 448 E CA 0.934 57.345 56.400 0.018 0.000 0.818 448 E CB -0.239 29.471 29.700 0.017 0.000 0.758 448 E HN 0.507 nan 8.360 nan 0.000 0.467 449 A N 2.477 125.305 122.820 0.014 0.000 1.881 449 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 449 A C -0.258 177.333 177.584 0.013 0.000 1.215 449 A CA 2.008 54.052 52.037 0.012 0.000 0.648 449 A CB -1.770 17.238 19.000 0.012 0.000 0.832 449 A HN 0.170 nan 8.150 nan 0.000 0.455 450 P HA -0.204 nan 4.420 nan 0.000 0.213 450 P C 1.878 179.188 177.300 0.017 0.000 1.176 450 P CA 1.320 64.429 63.100 0.015 0.000 0.919 450 P CB -0.252 31.458 31.700 0.017 0.000 0.791 451 L N -0.698 120.537 121.223 0.020 0.000 1.978 451 L HA -0.293 4.047 4.340 -0.000 0.000 0.218 451 L C 2.609 179.491 176.870 0.020 0.000 1.075 451 L CA 2.051 56.907 54.840 0.026 0.000 0.767 451 L CB -0.471 41.605 42.059 0.028 0.000 0.890 451 L HN -0.164 nan 8.230 nan 0.000 0.434 452 R N -0.879 119.628 120.500 0.012 0.000 2.103 452 R HA -0.273 4.067 4.340 -0.000 0.000 0.242 452 R C 2.326 178.630 176.300 0.006 0.000 1.142 452 R CA 2.007 58.109 56.100 0.004 0.000 0.960 452 R CB -0.435 29.868 30.300 0.004 0.000 0.858 452 R HN 0.454 nan 8.270 nan 0.000 0.439 453 Q N 0.898 120.704 119.800 0.010 0.000 2.167 453 Q HA -0.046 4.294 4.340 -0.000 0.000 0.202 453 Q C 1.774 177.781 176.000 0.013 0.000 0.970 453 Q CA 1.372 57.181 55.803 0.009 0.000 0.855 453 Q CB 0.010 28.753 28.738 0.008 0.000 0.911 453 Q HN 0.396 nan 8.270 nan 0.000 0.438 454 I N -0.893 119.688 120.570 0.019 0.000 2.353 454 I HA -0.180 3.990 4.170 -0.000 0.000 0.248 454 I C 1.886 178.028 176.117 0.041 0.000 1.119 454 I CA 0.573 61.889 61.300 0.026 0.000 1.417 454 I CB -0.243 37.775 38.000 0.029 0.000 1.078 454 I HN 0.013 nan 8.210 nan 0.000 0.421 455 V N 0.917 120.855 119.914 0.041 0.000 2.343 455 V HA -0.271 3.849 4.120 -0.000 0.000 0.247 455 V C 2.469 178.573 176.094 0.016 0.000 1.051 455 V CA 1.535 63.855 62.300 0.033 0.000 1.036 455 V CB -0.627 31.175 31.823 -0.036 0.000 0.654 455 V HN 0.322 nan 8.190 nan 0.000 0.451 456 L N 1.121 122.348 121.223 0.007 0.000 1.989 456 L HA -0.197 4.143 4.340 -0.000 0.000 0.211 456 L C 2.293 179.169 176.870 0.010 0.000 1.071 456 L CA 2.048 56.892 54.840 0.005 0.000 0.749 456 L CB -0.916 41.145 42.059 0.003 0.000 0.890 456 L HN 0.336 nan 8.230 nan 0.000 0.431 457 N N -1.043 117.665 118.700 0.013 0.000 2.334 457 N HA -0.187 4.553 4.740 -0.000 0.000 0.187 457 N C 1.683 177.202 175.510 0.016 0.000 1.016 457 N CA 1.652 54.709 53.050 0.012 0.000 0.879 457 N CB -0.804 37.689 38.487 0.010 0.000 0.965 457 N HN 0.473 nan 8.380 nan 0.000 0.438 458 C N -0.946 118.370 119.300 0.027 0.000 2.539 458 C HA 0.322 4.782 4.460 -0.000 0.000 0.268 458 C C 1.691 176.699 174.990 0.029 0.000 1.395 458 C CA 0.128 59.167 59.018 0.036 0.000 1.757 458 C CB -0.953 26.831 27.740 0.074 0.000 1.851 458 C HN 0.586 nan 8.230 nan 0.000 0.545 459 G N 1.150 109.962 108.800 0.020 0.000 2.137 459 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.237 459 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.237 459 G C -0.354 174.554 174.900 0.013 0.000 1.002 459 G CA 0.150 45.258 45.100 0.014 0.000 0.702 459 G HN 0.525 nan 8.290 nan 0.000 0.515 460 E N 0.057 120.263 120.200 0.010 0.000 2.249 460 E HA 0.452 4.802 4.350 -0.000 0.000 0.263 460 E C -0.099 176.484 176.600 -0.028 0.000 0.950 460 E CA -0.843 55.552 56.400 -0.008 0.000 0.827 460 E CB 1.017 30.708 29.700 -0.015 0.000 1.220 460 E HN 0.461 nan 8.360 nan 0.000 0.411 461 E N 2.101 122.278 120.200 -0.038 0.000 2.052 461 E HA 0.108 4.458 4.350 -0.000 0.000 0.283 461 E C -1.663 174.907 176.600 -0.049 0.000 1.071 461 E CA -1.639 54.740 56.400 -0.034 0.000 0.851 461 E CB 0.815 30.501 29.700 -0.023 0.000 1.066 461 E HN 0.129 nan 8.360 nan 0.000 0.396 462 P HA -0.209 nan 4.420 nan 0.000 0.215 462 P C 1.095 178.375 177.300 -0.032 0.000 1.153 462 P CA 1.182 64.259 63.100 -0.039 0.000 0.853 462 P CB 0.249 31.938 31.700 -0.019 0.000 0.788 463 S N -0.941 114.747 115.700 -0.021 0.000 2.399 463 S HA -0.101 4.369 4.470 -0.000 0.000 0.231 463 S C 1.998 176.590 174.600 -0.013 0.000 1.022 463 S CA 1.196 59.389 58.200 -0.012 0.000 0.983 463 S CB -1.643 61.552 63.200 -0.008 0.000 0.803 463 S HN -0.029 nan 8.310 nan 0.000 0.480 464 V N 1.797 121.697 119.914 -0.023 0.000 2.255 464 V HA -0.119 4.001 4.120 -0.000 0.000 0.243 464 V C 2.548 178.634 176.094 -0.012 0.000 1.038 464 V CA 1.484 63.772 62.300 -0.019 0.000 1.008 464 V CB -0.892 30.917 31.823 -0.024 0.000 0.645 464 V HN 0.397 nan 8.190 nan 0.000 0.449 465 V N 0.565 120.448 119.914 -0.051 0.000 2.287 465 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 465 V C 2.764 178.868 176.094 0.017 0.000 1.053 465 V CA 2.162 64.423 62.300 -0.065 0.000 1.027 465 V CB -1.337 30.285 31.823 -0.334 0.000 0.646 465 V HN 0.558 nan 8.190 nan 0.000 0.447 466 A N 0.502 123.320 122.820 -0.002 0.000 1.892 466 A HA -0.345 3.975 4.320 -0.000 0.000 0.218 466 A C 2.091 179.702 177.584 0.044 0.000 1.188 466 A CA 2.640 54.692 52.037 0.026 0.000 0.631 466 A CB -0.941 18.067 19.000 0.013 0.000 0.822 466 A HN 0.633 nan 8.150 nan 0.000 0.447 467 N N -0.802 117.915 118.700 0.028 0.000 2.120 467 N HA -0.117 4.623 4.740 -0.000 0.000 0.188 467 N C 1.662 177.193 175.510 0.036 0.000 1.024 467 N CA 2.273 55.338 53.050 0.026 0.000 0.852 467 N CB -0.417 38.075 38.487 0.008 0.000 1.003 467 N HN 0.413 nan 8.380 nan 0.000 0.424 468 T N -0.605 113.969 114.554 0.033 0.000 2.788 468 T HA -0.077 4.273 4.350 -0.000 0.000 0.268 468 T C 1.932 176.718 174.700 0.143 0.000 1.044 468 T CA 1.233 63.338 62.100 0.009 0.000 1.139 468 T CB -0.375 68.414 68.868 -0.131 0.000 0.867 468 T HN 0.024 nan 8.240 nan 0.000 0.454 469 V N 1.323 121.359 119.914 0.204 0.000 2.323 469 V HA -0.118 4.002 4.120 -0.000 0.000 0.244 469 V C 2.458 178.686 176.094 0.222 0.000 1.041 469 V CA 1.398 63.855 62.300 0.262 0.000 1.025 469 V CB -0.473 31.456 31.823 0.176 0.000 0.656 469 V HN 0.434 nan 8.190 nan 0.000 0.451 470 K N 0.350 120.828 120.400 0.130 0.000 2.127 470 K HA -0.206 4.114 4.320 -0.000 0.000 0.208 470 K C 2.069 178.719 176.600 0.083 0.000 1.047 470 K CA 1.639 57.980 56.287 0.091 0.000 0.927 470 K CB -0.596 31.937 32.500 0.055 0.000 0.716 470 K HN 0.584 nan 8.250 nan 0.000 0.450 471 G N 0.583 109.431 108.800 0.079 0.000 2.534 471 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.217 471 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.217 471 G C 0.785 175.676 174.900 -0.016 0.000 1.128 471 G CA 0.530 45.644 45.100 0.023 0.000 0.784 471 G HN 0.379 nan 8.290 nan 0.000 0.542 472 G N -0.876 107.951 108.800 0.045 0.000 2.489 472 G HA2 0.469 4.429 3.960 -0.000 0.000 0.271 472 G HA3 0.469 4.429 3.960 -0.000 0.000 0.271 472 G C -0.934 173.969 174.900 0.005 0.000 1.427 472 G CA -0.230 44.803 45.100 -0.111 0.000 1.057 472 G HN 0.133 nan 8.290 nan 0.000 0.532 473 D N -2.640 117.770 120.400 0.018 0.000 2.623 473 D HA 0.513 5.153 4.640 -0.000 0.000 0.241 473 D C 0.675 177.034 176.300 0.098 0.000 1.241 473 D CA 0.829 54.860 54.000 0.052 0.000 0.788 473 D CB 1.716 42.517 40.800 0.001 0.000 1.413 473 D HN 1.011 nan 8.370 nan 0.000 0.429 474 G N 1.371 110.219 108.800 0.080 0.000 2.550 474 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.277 474 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.277 474 G C 0.274 175.237 174.900 0.105 0.000 1.190 474 G CA 0.306 45.455 45.100 0.080 0.000 0.971 474 G HN 0.560 nan 8.290 nan 0.000 0.559 475 N N 0.115 118.876 118.700 0.103 0.000 2.346 475 N HA 0.304 5.044 4.740 -0.000 0.000 0.225 475 N C 0.052 175.638 175.510 0.128 0.000 1.144 475 N CA -0.074 53.031 53.050 0.091 0.000 0.837 475 N CB 0.106 38.628 38.487 0.059 0.000 1.069 475 N HN 0.502 nan 8.380 nan 0.000 0.487 476 Y N 1.027 121.357 120.300 0.051 0.000 2.569 476 Y HA 0.342 4.892 4.550 -0.000 0.000 0.332 476 Y C 0.830 176.792 175.900 0.102 0.000 1.120 476 Y CA 0.014 58.159 58.100 0.075 0.000 1.416 476 Y CB -0.068 38.434 38.460 0.071 0.000 1.210 476 Y HN 0.063 nan 8.280 nan 0.000 0.528 477 G N 4.286 112.851 108.800 -0.393 0.000 3.021 477 G HA2 0.323 4.283 3.960 -0.000 0.000 0.290 477 G HA3 0.323 4.283 3.960 -0.000 0.000 0.290 477 G C -2.360 172.384 174.900 -0.260 0.000 1.291 477 G CA -0.845 44.098 45.100 -0.262 0.000 0.834 477 G HN 0.545 nan 8.290 nan 0.000 0.564 478 Y N 1.010 121.126 120.300 -0.306 0.000 2.376 478 Y HA 0.582 5.132 4.550 -0.000 0.000 0.340 478 Y C -0.460 175.248 175.900 -0.321 0.000 0.965 478 Y CA -1.332 56.477 58.100 -0.486 0.000 1.078 478 Y CB 1.883 39.965 38.460 -0.629 0.000 1.193 478 Y HN 0.417 nan 8.280 nan 0.000 0.452 479 N N 4.777 122.931 118.700 -0.910 0.000 2.415 479 N HA 0.189 4.929 4.740 -0.000 0.000 0.246 479 N C 0.596 175.500 175.510 -1.011 0.000 1.078 479 N CA 0.735 53.352 53.050 -0.721 0.000 0.942 479 N CB 1.512 39.735 38.487 -0.439 0.000 1.140 479 N HN 0.988 nan 8.380 nan 0.000 0.501 480 A N 4.490 126.940 122.820 -0.616 0.000 1.883 480 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 480 A C 2.123 179.562 177.584 -0.241 0.000 1.186 480 A CA 2.088 53.928 52.037 -0.328 0.000 0.624 480 A CB -0.905 18.036 19.000 -0.098 0.000 0.822 480 A HN 0.730 nan 8.150 nan 0.000 0.444 481 A N -0.597 122.100 122.820 -0.205 0.000 1.851 481 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 481 A C 2.419 179.921 177.584 -0.137 0.000 1.195 481 A CA 2.943 54.899 52.037 -0.134 0.000 0.622 481 A CB -1.371 17.564 19.000 -0.110 0.000 0.831 481 A HN 0.899 nan 8.150 nan 0.000 0.444 482 T N -3.920 110.523 114.554 -0.185 0.000 3.065 482 T HA 0.238 4.588 4.350 -0.000 0.000 0.252 482 T C 0.376 174.982 174.700 -0.156 0.000 1.099 482 T CA 0.819 62.833 62.100 -0.143 0.000 1.063 482 T CB -0.214 68.579 68.868 -0.124 0.000 0.948 482 T HN 0.604 nan 8.240 nan 0.000 0.506 483 E N 0.690 120.714 120.200 -0.294 0.000 2.694 483 E HA -0.124 4.226 4.350 -0.000 0.000 0.272 483 E C -0.750 175.763 176.600 -0.144 0.000 1.040 483 E CA 0.404 56.666 56.400 -0.229 0.000 0.809 483 E CB -0.924 28.803 29.700 0.044 0.000 1.389 483 E HN 0.605 nan 8.360 nan 0.000 0.413 484 E N -0.508 119.488 120.200 -0.340 0.000 2.235 484 E HA 0.441 4.791 4.350 -0.000 0.000 0.265 484 E C -0.311 176.144 176.600 -0.241 0.000 0.940 484 E CA -0.541 55.781 56.400 -0.129 0.000 0.819 484 E CB 0.900 30.556 29.700 -0.074 0.000 1.206 484 E HN 0.031 nan 8.360 nan 0.000 0.409 485 Y N -0.238 120.088 120.300 0.044 0.000 2.496 485 Y HA 0.629 5.179 4.550 -0.000 0.000 0.325 485 Y C 1.198 177.069 175.900 -0.049 0.000 1.271 485 Y CA 0.480 58.572 58.100 -0.013 0.000 1.368 485 Y CB 1.429 39.924 38.460 0.059 0.000 1.415 485 Y HN 0.703 nan 8.280 nan 0.000 0.527 486 G N 0.152 108.963 108.800 0.018 0.000 2.325 486 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.285 486 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.285 486 G C -1.644 173.283 174.900 0.045 0.000 1.303 486 G CA -1.190 43.987 45.100 0.129 0.000 0.970 486 G HN 0.556 nan 8.290 nan 0.000 0.490 487 N N 1.077 119.847 118.700 0.116 0.000 2.452 487 N HA 0.172 4.912 4.740 -0.000 0.000 0.266 487 N C 1.806 177.323 175.510 0.011 0.000 1.175 487 N CA -0.331 52.767 53.050 0.081 0.000 0.945 487 N CB 0.738 39.278 38.487 0.088 0.000 1.063 487 N HN 0.425 nan 8.380 nan 0.000 0.472 488 M N 3.465 123.059 119.600 -0.011 0.000 2.200 488 M HA -0.102 4.378 4.480 -0.000 0.000 0.265 488 M C 1.694 177.984 176.300 -0.017 0.000 1.066 488 M CA 0.765 56.044 55.300 -0.035 0.000 1.127 488 M CB -0.451 32.123 32.600 -0.042 0.000 1.379 488 M HN 0.526 nan 8.290 nan 0.000 0.420 489 I N 1.024 121.596 120.570 0.002 0.000 2.194 489 I HA -0.298 3.872 4.170 -0.000 0.000 0.246 489 I C 1.807 177.925 176.117 0.001 0.000 1.093 489 I CA 1.653 62.956 61.300 0.004 0.000 1.355 489 I CB -1.552 36.456 38.000 0.014 0.000 1.046 489 I HN 0.252 nan 8.210 nan 0.000 0.413 490 D N 0.424 120.828 120.400 0.006 0.000 2.144 490 D HA -0.122 4.518 4.640 -0.000 0.000 0.200 490 D C 2.272 178.568 176.300 -0.006 0.000 0.978 490 D CA 1.100 55.103 54.000 0.006 0.000 0.833 490 D CB -0.151 40.659 40.800 0.016 0.000 0.961 490 D HN 0.357 nan 8.370 nan 0.000 0.470 491 M N -1.009 118.581 119.600 -0.017 0.000 2.595 491 M HA 0.168 4.648 4.480 -0.000 0.000 0.248 491 M C 1.455 177.733 176.300 -0.037 0.000 1.119 491 M CA 0.795 56.075 55.300 -0.033 0.000 1.079 491 M CB 0.721 33.288 32.600 -0.055 0.000 1.472 491 M HN 0.189 nan 8.290 nan 0.000 0.501 492 G N 1.112 109.894 108.800 -0.029 0.000 2.424 492 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.207 492 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.207 492 G C 0.258 175.140 174.900 -0.029 0.000 1.061 492 G CA -0.602 44.482 45.100 -0.027 0.000 0.657 492 G HN 0.357 nan 8.290 nan 0.000 0.508 493 I N 3.097 123.641 120.570 -0.043 0.000 2.574 493 I HA 0.377 4.547 4.170 -0.000 0.000 0.291 493 I C 0.338 176.438 176.117 -0.029 0.000 1.131 493 I CA 0.374 61.648 61.300 -0.043 0.000 1.352 493 I CB -0.223 37.738 38.000 -0.066 0.000 1.431 493 I HN 0.401 nan 8.210 nan 0.000 0.543 494 L N 4.067 125.279 121.223 -0.018 0.000 2.465 494 L HA 0.733 5.073 4.340 -0.000 0.000 0.257 494 L C -1.224 175.645 176.870 -0.002 0.000 0.988 494 L CA -0.838 53.997 54.840 -0.008 0.000 0.827 494 L CB 1.759 43.816 42.059 -0.003 0.000 1.397 494 L HN 0.072 nan 8.230 nan 0.000 0.410 495 D N 0.928 121.330 120.400 0.003 0.000 2.350 495 D HA 0.501 5.141 4.640 -0.000 0.000 0.245 495 D C -2.682 173.626 176.300 0.013 0.000 1.036 495 D CA -1.370 52.635 54.000 0.008 0.000 0.848 495 D CB 2.244 43.050 40.800 0.010 0.000 1.307 495 D HN 0.385 nan 8.370 nan 0.000 0.469 496 P HA 0.039 nan 4.420 nan 0.000 0.264 496 P C 0.815 178.127 177.300 0.019 0.000 1.193 496 P CA 0.073 63.185 63.100 0.019 0.000 0.763 496 P CB 0.456 32.172 31.700 0.027 0.000 0.810 497 T N 2.193 116.757 114.554 0.016 0.000 2.802 497 T HA -0.230 4.120 4.350 -0.000 0.000 0.269 497 T C 1.582 176.292 174.700 0.016 0.000 1.062 497 T CA 1.397 63.506 62.100 0.015 0.000 1.133 497 T CB -0.251 68.624 68.868 0.011 0.000 0.852 497 T HN 0.489 nan 8.240 nan 0.000 0.485 498 K N 0.804 121.216 120.400 0.021 0.000 2.025 498 K HA -0.085 4.235 4.320 -0.000 0.000 0.207 498 K C 2.514 179.136 176.600 0.035 0.000 1.049 498 K CA 1.433 57.736 56.287 0.026 0.000 0.933 498 K CB -0.308 32.212 32.500 0.033 0.000 0.714 498 K HN 0.352 nan 8.250 nan 0.000 0.438 499 V N -0.764 119.173 119.914 0.039 0.000 2.358 499 V HA -0.177 3.943 4.120 -0.000 0.000 0.246 499 V C 1.770 177.888 176.094 0.041 0.000 1.047 499 V CA 2.323 64.650 62.300 0.045 0.000 1.035 499 V CB -0.981 30.865 31.823 0.038 0.000 0.658 499 V HN 0.258 nan 8.190 nan 0.000 0.452 500 T N 0.355 114.927 114.554 0.030 0.000 2.867 500 T HA -0.112 4.238 4.350 -0.000 0.000 0.268 500 T C 2.000 176.714 174.700 0.023 0.000 1.057 500 T CA 1.897 64.012 62.100 0.026 0.000 1.136 500 T CB -0.359 68.521 68.868 0.020 0.000 0.874 500 T HN 0.630 nan 8.240 nan 0.000 0.466 501 R N 0.865 121.375 120.500 0.017 0.000 2.119 501 R HA 0.015 4.355 4.340 -0.000 0.000 0.222 501 R C 2.332 178.626 176.300 -0.010 0.000 1.088 501 R CA 1.165 57.265 56.100 -0.000 0.000 0.984 501 R CB -0.183 30.111 30.300 -0.010 0.000 0.884 501 R HN 0.236 nan 8.270 nan 0.000 0.447 502 S N 0.980 116.694 115.700 0.023 0.000 2.355 502 S HA -0.083 4.387 4.470 -0.000 0.000 0.222 502 S C 2.072 176.753 174.600 0.135 0.000 1.031 502 S CA 1.158 59.397 58.200 0.065 0.000 0.993 502 S CB -0.217 63.069 63.200 0.144 0.000 0.859 502 S HN 0.540 nan 8.310 nan 0.000 0.453 503 A N 1.175 124.061 122.820 0.109 0.000 1.940 503 A HA -0.060 4.260 4.320 -0.000 0.000 0.219 503 A C 2.149 179.786 177.584 0.089 0.000 1.176 503 A CA 1.345 53.447 52.037 0.108 0.000 0.631 503 A CB -0.668 18.371 19.000 0.065 0.000 0.814 503 A HN 0.393 nan 8.150 nan 0.000 0.446 504 L N -0.441 120.811 121.223 0.047 0.000 2.007 504 L HA -0.160 4.180 4.340 -0.000 0.000 0.205 504 L C 2.668 179.546 176.870 0.013 0.000 1.073 504 L CA 2.277 57.134 54.840 0.027 0.000 0.744 504 L CB -0.653 41.411 42.059 0.009 0.000 0.898 504 L HN 0.490 nan 8.230 nan 0.000 0.435 505 Q N -1.795 117.981 119.800 -0.040 0.000 2.096 505 Q HA -0.248 4.092 4.340 -0.000 0.000 0.204 505 Q C 2.105 178.057 176.000 -0.080 0.000 0.982 505 Q CA 2.112 57.852 55.803 -0.105 0.000 0.850 505 Q CB -0.360 28.246 28.738 -0.219 0.000 0.901 505 Q HN 0.483 nan 8.270 nan 0.000 0.422 506 Y N 0.284 120.587 120.300 0.004 0.000 2.163 506 Y HA -0.150 4.400 4.550 -0.000 0.000 0.288 506 Y C 2.468 178.370 175.900 0.003 0.000 1.136 506 Y CA 0.818 58.919 58.100 0.003 0.000 1.147 506 Y CB -0.857 37.604 38.460 0.002 0.000 0.987 506 Y HN 0.125 nan 8.280 nan 0.000 0.509 507 A N 0.108 123.024 122.820 0.159 0.000 1.927 507 A HA -0.250 4.070 4.320 -0.000 0.000 0.220 507 A C 2.439 180.063 177.584 0.065 0.000 1.185 507 A CA 2.439 54.530 52.037 0.089 0.000 0.639 507 A CB -1.264 17.773 19.000 0.062 0.000 0.820 507 A HN 0.418 nan 8.150 nan 0.000 0.451 508 A N -1.538 121.313 122.820 0.052 0.000 1.970 508 A HA 0.052 4.372 4.320 -0.000 0.000 0.216 508 A C 2.407 180.013 177.584 0.037 0.000 1.170 508 A CA 1.769 53.826 52.037 0.033 0.000 0.645 508 A CB -0.770 18.240 19.000 0.016 0.000 0.816 508 A HN 0.538 nan 8.150 nan 0.000 0.447 509 S N -0.827 114.903 115.700 0.051 0.000 2.368 509 S HA -0.128 4.342 4.470 -0.000 0.000 0.225 509 S C 1.951 176.588 174.600 0.063 0.000 1.030 509 S CA 1.705 59.939 58.200 0.056 0.000 0.999 509 S CB -0.421 62.831 63.200 0.087 0.000 0.844 509 S HN 0.433 nan 8.310 nan 0.000 0.459 510 V N 1.499 121.459 119.914 0.076 0.000 2.273 510 V HA 0.085 4.205 4.120 -0.000 0.000 0.242 510 V C 2.627 178.744 176.094 0.039 0.000 1.035 510 V CA 1.890 64.224 62.300 0.057 0.000 1.013 510 V CB -1.095 30.761 31.823 0.055 0.000 0.652 510 V HN 0.545 nan 8.190 nan 0.000 0.452 511 A N 0.144 122.986 122.820 0.037 0.000 1.948 511 A HA -0.156 4.164 4.320 -0.000 0.000 0.220 511 A C 2.324 179.923 177.584 0.025 0.000 1.177 511 A CA 2.278 54.332 52.037 0.028 0.000 0.636 511 A CB -1.522 17.494 19.000 0.027 0.000 0.815 511 A HN 0.728 nan 8.150 nan 0.000 0.449 512 G N -0.420 108.396 108.800 0.027 0.000 2.418 512 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.217 512 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.217 512 G C 1.568 176.482 174.900 0.023 0.000 1.158 512 G CA 1.031 46.144 45.100 0.023 0.000 0.771 512 G HN 0.446 nan 8.290 nan 0.000 0.545 513 L N -0.350 120.889 121.223 0.026 0.000 1.994 513 L HA -0.054 4.286 4.340 -0.000 0.000 0.208 513 L C 3.067 179.951 176.870 0.023 0.000 1.071 513 L CA 1.104 55.958 54.840 0.024 0.000 0.745 513 L CB -0.350 41.724 42.059 0.026 0.000 0.892 513 L HN 0.201 nan 8.230 nan 0.000 0.431 514 M N -0.356 119.258 119.600 0.023 0.000 2.110 514 M HA -0.319 4.161 4.480 -0.000 0.000 0.257 514 M C 2.317 178.630 176.300 0.021 0.000 1.071 514 M CA 2.126 57.439 55.300 0.022 0.000 1.096 514 M CB -0.436 32.177 32.600 0.021 0.000 1.300 514 M HN 0.212 nan 8.290 nan 0.000 0.411 515 I N -0.394 120.188 120.570 0.020 0.000 2.567 515 I HA -0.236 3.934 4.170 -0.000 0.000 0.257 515 I C 1.906 178.034 176.117 0.019 0.000 1.184 515 I CA 1.506 62.817 61.300 0.018 0.000 1.451 515 I CB -0.438 37.572 38.000 0.017 0.000 1.089 515 I HN 0.447 nan 8.210 nan 0.000 0.441 516 T N -3.170 111.396 114.554 0.020 0.000 3.107 516 T HA 0.087 4.437 4.350 -0.000 0.000 0.249 516 T C 0.788 175.503 174.700 0.025 0.000 1.096 516 T CA -0.146 61.967 62.100 0.022 0.000 1.012 516 T CB -0.620 68.260 68.868 0.020 0.000 0.977 516 T HN 0.066 nan 8.240 nan 0.000 0.527 517 T N 2.828 117.396 114.554 0.025 0.000 2.870 517 T HA 0.231 4.581 4.350 -0.000 0.000 0.300 517 T C 0.615 175.335 174.700 0.032 0.000 0.989 517 T CA -0.393 61.722 62.100 0.026 0.000 1.139 517 T CB 1.251 70.132 68.868 0.022 0.000 0.920 517 T HN 0.088 nan 8.240 nan 0.000 0.537 518 E N 0.137 120.362 120.200 0.042 0.000 2.541 518 E HA 0.179 4.529 4.350 -0.000 0.000 0.219 518 E C -0.047 176.594 176.600 0.068 0.000 0.922 518 E CA 0.027 56.470 56.400 0.071 0.000 1.095 518 E CB 0.841 30.599 29.700 0.097 0.000 1.112 518 E HN 0.604 nan 8.360 nan 0.000 0.516 519 C N 0.932 120.233 119.300 0.001 0.000 2.686 519 C HA 0.696 5.156 4.460 -0.000 0.000 0.318 519 C C -1.114 173.813 174.990 -0.104 0.000 1.160 519 C CA -0.543 58.395 59.018 -0.133 0.000 1.396 519 C CB 0.230 27.923 27.740 -0.078 0.000 1.924 519 C HN 0.128 nan 8.230 nan 0.000 0.471 520 M N 5.221 124.742 119.600 -0.131 0.000 2.464 520 M HA 0.653 5.133 4.480 -0.000 0.000 0.308 520 M C -1.052 175.280 176.300 0.053 0.000 1.127 520 M CA -0.581 54.737 55.300 0.030 0.000 0.913 520 M CB 2.197 34.926 32.600 0.215 0.000 1.689 520 M HN 0.430 nan 8.290 nan 0.000 0.445 521 V N 0.850 120.759 119.914 -0.009 0.000 2.656 521 V HA 0.856 4.976 4.120 -0.000 0.000 0.307 521 V C -0.327 175.677 176.094 -0.151 0.000 1.051 521 V CA -0.478 61.795 62.300 -0.045 0.000 0.893 521 V CB 1.999 33.797 31.823 -0.042 0.000 0.999 521 V HN 0.963 nan 8.190 nan 0.000 0.426 522 T N 1.094 115.526 114.554 -0.203 0.000 2.718 522 T HA 0.317 4.667 4.350 -0.000 0.000 0.306 522 T C -1.930 172.661 174.700 -0.181 0.000 1.485 522 T CA -0.552 61.380 62.100 -0.281 0.000 0.997 522 T CB 2.006 70.528 68.868 -0.577 0.000 1.504 522 T HN 0.694 nan 8.240 nan 0.000 0.497 523 D N 1.633 121.938 120.400 -0.159 0.000 2.304 523 D HA 0.374 5.014 4.640 -0.000 0.000 0.247 523 D C -0.014 176.239 176.300 -0.079 0.000 1.089 523 D CA -0.257 53.688 54.000 -0.092 0.000 0.910 523 D CB 0.956 41.713 40.800 -0.071 0.000 1.199 523 D HN 0.253 nan 8.370 nan 0.000 0.426 524 L N 3.218 124.421 121.223 -0.033 0.000 2.490 524 L HA 0.118 4.458 4.340 -0.000 0.000 0.274 524 L C -1.502 175.359 176.870 -0.016 0.000 1.201 524 L CA -0.567 54.268 54.840 -0.008 0.000 0.869 524 L CB -0.733 41.330 42.059 0.006 0.000 1.123 524 L HN 0.253 nan 8.230 nan 0.000 0.484 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.097 63.100 -0.005 0.000 0.800 525 P CB 0.000 31.704 31.700 0.007 0.000 0.726