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 1mnf_1_F DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK 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 0.000 177.581 177.584 -0.005 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 2 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 3 A N 1.026 123.845 122.820 -0.001 0.000 2.531 3 A HA 0.517 4.837 4.320 0.000 0.000 0.236 3 A C 0.248 177.833 177.584 0.002 0.000 1.062 3 A CA 0.432 52.472 52.037 0.005 0.000 0.760 3 A CB -0.124 18.882 19.000 0.010 0.000 0.995 3 A HN 0.614 nan 8.150 nan 0.000 0.501 4 K N 1.122 121.528 120.400 0.009 0.000 2.211 4 K HA 0.457 4.778 4.320 0.000 0.000 0.237 4 K C -1.167 175.455 176.600 0.036 0.000 1.002 4 K CA -0.706 55.585 56.287 0.006 0.000 0.885 4 K CB 1.405 33.906 32.500 0.002 0.000 1.136 4 K HN 0.720 nan 8.250 nan 0.000 0.448 5 D N 0.923 121.358 120.400 0.060 0.000 2.344 5 D HA 0.304 4.944 4.640 0.000 0.000 0.239 5 D C -1.307 175.129 176.300 0.227 0.000 1.064 5 D CA -0.587 53.504 54.000 0.153 0.000 0.829 5 D CB 1.185 42.118 40.800 0.222 0.000 1.129 5 D HN 0.055 nan 8.370 nan 0.000 0.506 6 V N 4.854 124.839 119.914 0.118 0.000 2.384 6 V HA 0.417 4.537 4.120 0.000 0.000 0.287 6 V C 0.363 176.340 176.094 -0.195 0.000 1.020 6 V CA -0.734 61.547 62.300 -0.032 0.000 0.850 6 V CB 1.536 33.295 31.823 -0.108 0.000 0.987 6 V HN 0.380 nan 8.190 nan 0.000 0.436 7 K N 3.574 123.753 120.400 -0.369 0.000 2.208 7 K HA 0.749 5.069 4.320 0.000 0.000 0.247 7 K C -1.432 174.828 176.600 -0.567 0.000 0.953 7 K CA -0.511 55.492 56.287 -0.474 0.000 0.837 7 K CB 2.299 34.316 32.500 -0.805 0.000 1.131 7 K HN 0.423 nan 8.250 nan 0.000 0.431 8 F N -0.777 119.105 119.950 -0.113 0.000 2.631 8 F HA 0.326 4.853 4.527 0.000 0.000 0.328 8 F C 1.427 177.188 175.800 -0.064 0.000 1.067 8 F CA -0.004 57.958 58.000 -0.063 0.000 0.969 8 F CB 1.109 40.084 39.000 -0.041 0.000 1.332 8 F HN 0.809 nan 8.300 nan 0.000 0.490 9 G N 1.347 110.273 108.800 0.210 0.000 2.699 9 G HA2 -0.486 3.474 3.960 0.000 0.000 0.408 9 G HA3 -0.486 3.474 3.960 0.000 0.000 0.408 9 G C 1.445 176.368 174.900 0.037 0.000 1.112 9 G CA 1.291 46.447 45.100 0.095 0.000 0.885 9 G HN 0.783 nan 8.290 nan 0.000 0.690 10 N N 0.847 119.561 118.700 0.023 0.000 2.104 10 N HA -0.146 4.595 4.740 0.000 0.000 0.190 10 N C 1.781 177.278 175.510 -0.021 0.000 1.024 10 N CA 2.188 55.239 53.050 0.001 0.000 0.853 10 N CB -0.387 38.100 38.487 -0.000 0.000 1.008 10 N HN 0.523 nan 8.380 nan 0.000 0.424 11 D N 0.747 121.127 120.400 -0.032 0.000 2.104 11 D HA -0.108 4.532 4.640 0.000 0.000 0.194 11 D C 1.868 178.088 176.300 -0.134 0.000 0.994 11 D CA 1.281 55.230 54.000 -0.084 0.000 0.830 11 D CB -0.502 40.235 40.800 -0.105 0.000 0.959 11 D HN 0.405 nan 8.370 nan 0.000 0.452 12 A N 1.127 123.865 122.820 -0.135 0.000 1.902 12 A HA -0.203 4.117 4.320 0.000 0.000 0.217 12 A C 2.210 179.759 177.584 -0.058 0.000 1.181 12 A CA 1.360 53.308 52.037 -0.148 0.000 0.623 12 A CB -0.433 18.501 19.000 -0.110 0.000 0.818 12 A HN 0.125 nan 8.150 nan 0.000 0.443 13 R N -0.434 120.049 120.500 -0.029 0.000 2.073 13 R HA -0.128 4.212 4.340 0.000 0.000 0.234 13 R C 2.245 178.541 176.300 -0.006 0.000 1.134 13 R CA 1.786 57.882 56.100 -0.007 0.000 0.952 13 R CB -0.867 29.434 30.300 0.001 0.000 0.850 13 R HN 0.610 nan 8.270 nan 0.000 0.433 14 V N 0.014 119.918 119.914 -0.016 0.000 2.392 14 V HA -0.209 3.911 4.120 0.000 0.000 0.249 14 V C 1.967 178.060 176.094 -0.002 0.000 1.059 14 V CA 1.535 63.829 62.300 -0.010 0.000 1.051 14 V CB -0.417 31.397 31.823 -0.016 0.000 0.658 14 V HN 0.110 nan 8.190 nan 0.000 0.455 15 K N 0.140 120.535 120.400 -0.010 0.000 2.002 15 K HA -0.056 4.265 4.320 0.000 0.000 0.209 15 K C 2.283 178.913 176.600 0.051 0.000 1.048 15 K CA 2.239 58.542 56.287 0.028 0.000 0.930 15 K CB -0.611 31.913 32.500 0.041 0.000 0.714 15 K HN 0.545 nan 8.250 nan 0.000 0.438 16 M N 0.422 120.050 119.600 0.046 0.000 2.080 16 M HA -0.210 4.270 4.480 0.000 0.000 0.260 16 M C 2.322 178.639 176.300 0.029 0.000 1.068 16 M CA 1.260 56.587 55.300 0.044 0.000 1.109 16 M CB -0.494 32.129 32.600 0.038 0.000 1.342 16 M HN 0.049 nan 8.290 nan 0.000 0.405 17 L N 0.663 121.898 121.223 0.020 0.000 1.990 17 L HA -0.241 4.099 4.340 0.000 0.000 0.213 17 L C 2.449 179.328 176.870 0.015 0.000 1.072 17 L CA 1.995 56.844 54.840 0.015 0.000 0.755 17 L CB -0.538 41.526 42.059 0.010 0.000 0.889 17 L HN 0.167 nan 8.230 nan 0.000 0.432 18 R N -0.653 119.857 120.500 0.017 0.000 2.091 18 R HA -0.125 4.215 4.340 0.000 0.000 0.238 18 R C 2.229 178.540 176.300 0.018 0.000 1.136 18 R CA 1.207 57.317 56.100 0.017 0.000 0.959 18 R CB -1.052 29.260 30.300 0.019 0.000 0.856 18 R HN 0.620 nan 8.270 nan 0.000 0.437 19 G N 0.794 109.609 108.800 0.025 0.000 2.433 19 G HA2 -0.258 3.703 3.960 0.000 0.000 0.216 19 G HA3 -0.258 3.703 3.960 0.000 0.000 0.216 19 G C 1.490 176.397 174.900 0.013 0.000 1.186 19 G CA 1.113 46.226 45.100 0.021 0.000 0.779 19 G HN 0.336 nan 8.290 nan 0.000 0.543 20 V N -0.189 119.733 119.914 0.014 0.000 2.626 20 V HA -0.089 4.031 4.120 0.000 0.000 0.252 20 V C 2.178 178.277 176.094 0.007 0.000 1.067 20 V CA 2.154 64.459 62.300 0.009 0.000 1.081 20 V CB -0.526 31.304 31.823 0.011 0.000 0.686 20 V HN 0.209 nan 8.190 nan 0.000 0.468 21 N N 0.941 119.646 118.700 0.008 0.000 2.188 21 N HA -0.086 4.655 4.740 0.000 0.000 0.184 21 N C 1.824 177.336 175.510 0.004 0.000 1.018 21 N CA 1.796 54.850 53.050 0.006 0.000 0.858 21 N CB -0.413 38.077 38.487 0.006 0.000 0.989 21 N HN 0.512 nan 8.380 nan 0.000 0.426 22 V N 1.610 121.526 119.914 0.004 0.000 2.295 22 V HA -0.183 3.937 4.120 0.000 0.000 0.246 22 V C 2.397 178.491 176.094 -0.001 0.000 1.049 22 V CA 1.065 63.365 62.300 0.001 0.000 1.024 22 V CB -0.574 31.250 31.823 0.001 0.000 0.648 22 V HN 0.185 nan 8.190 nan 0.000 0.447 23 L N 1.100 122.322 121.223 -0.001 0.000 1.955 23 L HA -0.120 4.220 4.340 0.000 0.000 0.213 23 L C 2.497 179.365 176.870 -0.003 0.000 1.072 23 L CA 2.658 57.496 54.840 -0.004 0.000 0.755 23 L CB -1.229 40.827 42.059 -0.004 0.000 0.888 23 L HN 0.211 nan 8.230 nan 0.000 0.432 24 A N -0.707 122.113 122.820 -0.001 0.000 1.892 24 A HA -0.275 4.046 4.320 0.000 0.000 0.218 24 A C 2.016 179.600 177.584 -0.000 0.000 1.188 24 A CA 2.128 54.165 52.037 0.000 0.000 0.631 24 A CB -1.153 17.849 19.000 0.003 0.000 0.822 24 A HN 0.628 nan 8.150 nan 0.000 0.447 25 D N -0.157 120.243 120.400 -0.000 0.000 2.182 25 D HA -0.054 4.586 4.640 0.000 0.000 0.201 25 D C 2.148 178.447 176.300 -0.002 0.000 0.986 25 D CA 1.492 55.492 54.000 -0.001 0.000 0.847 25 D CB -0.355 40.445 40.800 -0.000 0.000 0.942 25 D HN 0.466 nan 8.370 nan 0.000 0.467 26 A N 0.176 122.994 122.820 -0.003 0.000 1.897 26 A HA -0.061 4.259 4.320 0.000 0.000 0.215 26 A C 2.473 180.054 177.584 -0.006 0.000 1.181 26 A CA 0.849 52.883 52.037 -0.005 0.000 0.620 26 A CB -0.495 18.501 19.000 -0.007 0.000 0.821 26 A HN 0.141 nan 8.150 nan 0.000 0.443 27 V N 1.283 121.194 119.914 -0.006 0.000 2.407 27 V HA -0.216 3.905 4.120 0.000 0.000 0.245 27 V C 2.497 178.588 176.094 -0.004 0.000 1.041 27 V CA 2.124 64.421 62.300 -0.006 0.000 1.040 27 V CB -0.625 31.194 31.823 -0.008 0.000 0.671 27 V HN 0.838 nan 8.190 nan 0.000 0.455 28 K N 1.481 121.880 120.400 -0.002 0.000 2.442 28 K HA -0.116 4.204 4.320 0.000 0.000 0.198 28 K C 1.744 178.343 176.600 -0.001 0.000 1.044 28 K CA 1.724 58.010 56.287 -0.001 0.000 0.948 28 K CB -0.671 31.830 32.500 0.001 0.000 0.762 28 K HN 0.497 nan 8.250 nan 0.000 0.472 29 V N -0.243 119.670 119.914 -0.002 0.000 2.913 29 V HA -0.141 3.980 4.120 0.000 0.000 0.260 29 V C 2.146 178.239 176.094 -0.001 0.000 1.098 29 V CA 1.705 64.004 62.300 -0.001 0.000 1.121 29 V CB -1.030 30.792 31.823 -0.002 0.000 0.714 29 V HN 0.556 nan 8.190 nan 0.000 0.487 30 T N -2.477 112.075 114.554 -0.002 0.000 3.065 30 T HA 0.238 4.588 4.350 0.000 0.000 0.252 30 T C 0.634 175.332 174.700 -0.002 0.000 1.099 30 T CA -0.120 61.978 62.100 -0.003 0.000 1.063 30 T CB -0.248 68.617 68.868 -0.004 0.000 0.948 30 T HN 0.338 nan 8.240 nan 0.000 0.506 31 L N 2.740 123.963 121.223 -0.001 0.000 2.499 31 L HA 0.474 4.814 4.340 0.000 0.000 0.273 31 L C 0.940 177.812 176.870 0.002 0.000 1.195 31 L CA 1.731 56.572 54.840 0.001 0.000 0.882 31 L CB -0.666 41.394 42.059 0.003 0.000 1.133 31 L HN 0.754 nan 8.230 nan 0.000 0.483 32 G N 4.292 113.092 108.800 0.001 0.000 2.746 32 G HA2 -0.142 3.818 3.960 0.000 0.000 0.685 32 G HA3 -0.142 3.818 3.960 0.000 0.000 0.685 32 G C -1.925 172.971 174.900 -0.006 0.000 1.350 32 G CA -0.312 44.787 45.100 -0.000 0.000 0.837 32 G HN 0.595 nan 8.290 nan 0.000 0.564 33 P HA 0.023 nan 4.420 nan 0.000 0.226 33 P C 0.827 178.119 177.300 -0.013 0.000 1.153 33 P CA 1.075 64.164 63.100 -0.019 0.000 0.777 33 P CB 0.166 31.845 31.700 -0.035 0.000 0.794 34 K N 0.232 120.629 120.400 -0.006 0.000 2.498 34 K HA 0.256 4.576 4.320 0.000 0.000 0.207 34 K C 1.081 177.682 176.600 0.001 0.000 1.033 34 K CA -0.239 56.047 56.287 -0.001 0.000 1.138 34 K CB 0.266 32.770 32.500 0.006 0.000 0.860 34 K HN 0.047 nan 8.250 nan 0.000 0.490 35 G N 1.698 110.498 108.800 -0.001 0.000 2.562 35 G HA2 0.008 3.968 3.960 0.000 0.000 0.233 35 G HA3 0.008 3.968 3.960 0.000 0.000 0.233 35 G C 0.145 175.044 174.900 -0.001 0.000 1.266 35 G CA -0.292 44.807 45.100 -0.001 0.000 0.852 35 G HN 0.075 nan 8.290 nan 0.000 0.581 36 R N 0.771 121.270 120.500 -0.001 0.000 2.607 36 R HA 0.227 4.567 4.340 0.000 0.000 0.261 36 R C 0.021 176.319 176.300 -0.003 0.000 1.051 36 R CA -0.805 55.294 56.100 -0.001 0.000 1.110 36 R CB 0.518 30.818 30.300 -0.001 0.000 1.158 36 R HN 0.647 nan 8.270 nan 0.000 0.543 37 N N -0.782 117.916 118.700 -0.003 0.000 2.524 37 N HA 0.276 5.016 4.740 0.000 0.000 0.283 37 N C -0.902 174.606 175.510 -0.004 0.000 1.142 37 N CA -0.361 52.687 53.050 -0.003 0.000 0.984 37 N CB 1.281 39.766 38.487 -0.003 0.000 1.155 37 N HN 0.082 nan 8.380 nan 0.000 0.467 38 V N 2.179 122.090 119.914 -0.005 0.000 2.495 38 V HA 0.330 4.450 4.120 0.000 0.000 0.298 38 V C -0.412 175.678 176.094 -0.007 0.000 1.031 38 V CA -0.769 61.527 62.300 -0.006 0.000 0.871 38 V CB 1.857 33.675 31.823 -0.007 0.000 0.988 38 V HN 0.328 nan 8.190 nan 0.000 0.432 39 V N 6.567 126.476 119.914 -0.008 0.000 2.350 39 V HA 0.438 4.558 4.120 0.000 0.000 0.276 39 V C -0.165 175.922 176.094 -0.012 0.000 1.028 39 V CA -0.389 61.906 62.300 -0.009 0.000 0.860 39 V CB 1.175 32.994 31.823 -0.008 0.000 0.990 39 V HN 0.592 nan 8.190 nan 0.000 0.453 40 L N 3.884 125.100 121.223 -0.012 0.000 2.287 40 L HA 0.521 4.861 4.340 0.000 0.000 0.287 40 L C 0.035 176.894 176.870 -0.019 0.000 1.022 40 L CA -0.519 54.312 54.840 -0.016 0.000 0.814 40 L CB 1.564 43.614 42.059 -0.015 0.000 1.217 40 L HN 0.522 nan 8.230 nan 0.000 0.420 41 D N 3.120 123.505 120.400 -0.025 0.000 2.357 41 D HA 0.271 4.911 4.640 0.000 0.000 0.242 41 D C -0.525 175.751 176.300 -0.040 0.000 1.153 41 D CA 0.211 54.191 54.000 -0.033 0.000 0.918 41 D CB 0.954 41.729 40.800 -0.041 0.000 1.181 41 D HN 0.342 nan 8.370 nan 0.000 0.435 42 K N -0.112 120.258 120.400 -0.049 0.000 2.435 42 K HA 0.237 4.557 4.320 0.000 0.000 0.251 42 K C 0.978 177.504 176.600 -0.124 0.000 0.954 42 K CA -0.589 55.664 56.287 -0.056 0.000 0.820 42 K CB 1.811 34.302 32.500 -0.015 0.000 1.292 42 K HN 0.415 nan 8.250 nan 0.000 0.436 43 S N 0.865 116.454 115.700 -0.185 0.000 2.382 43 S HA -0.043 4.427 4.470 0.000 0.000 0.228 43 S C 0.341 174.499 174.600 -0.736 0.000 1.027 43 S CA 0.859 58.782 58.200 -0.461 0.000 0.991 43 S CB -0.216 62.704 63.200 -0.467 0.000 0.823 43 S HN 0.405 nan 8.310 nan 0.000 0.469 44 F N 1.174 121.121 119.950 -0.004 0.000 2.562 44 F HA 0.695 5.222 4.527 0.000 0.000 0.319 44 F C 0.786 176.584 175.800 -0.003 0.000 1.154 44 F CA -0.009 57.989 58.000 -0.003 0.000 0.931 44 F CB 1.767 40.765 39.000 -0.003 0.000 1.198 44 F HN 0.466 nan 8.300 nan 0.000 0.444 45 G N 1.344 110.246 108.800 0.170 0.000 2.297 45 G HA2 0.438 4.399 3.960 0.000 0.000 0.209 45 G HA3 0.438 4.399 3.960 0.000 0.000 0.209 45 G C -1.645 173.285 174.900 0.051 0.000 1.267 45 G CA -0.405 44.753 45.100 0.096 0.000 1.127 45 G HN 1.054 nan 8.290 nan 0.000 0.498 46 A N 0.645 123.486 122.820 0.035 0.000 2.312 46 A HA 0.884 5.204 4.320 0.000 0.000 0.326 46 A C -1.901 175.689 177.584 0.010 0.000 1.172 46 A CA -0.888 51.160 52.037 0.019 0.000 0.821 46 A CB 0.453 19.463 19.000 0.016 0.000 1.166 46 A HN 0.642 nan 8.150 nan 0.000 0.493 47 P HA 0.166 nan 4.420 nan 0.000 0.269 47 P C -0.199 177.100 177.300 -0.001 0.000 1.211 47 P CA 0.266 63.364 63.100 -0.004 0.000 0.781 47 P CB 0.331 32.026 31.700 -0.007 0.000 0.877 48 T N 2.053 116.605 114.554 -0.004 0.000 2.799 48 T HA 0.480 4.830 4.350 0.000 0.000 0.286 48 T C 0.242 174.939 174.700 -0.004 0.000 0.973 48 T CA -0.220 61.879 62.100 -0.002 0.000 1.035 48 T CB 0.052 68.918 68.868 -0.003 0.000 0.932 48 T HN 0.173 nan 8.240 nan 0.000 0.469 49 I N 3.009 123.578 120.570 -0.002 0.000 2.328 49 I HA 0.426 4.596 4.170 0.000 0.000 0.287 49 I C 0.411 176.526 176.117 -0.003 0.000 1.012 49 I CA -0.372 60.926 61.300 -0.003 0.000 1.195 49 I CB 1.532 39.531 38.000 -0.002 0.000 1.350 49 I HN 0.507 nan 8.210 nan 0.000 0.464 50 T N 4.619 119.170 114.554 -0.004 0.000 2.896 50 T HA 0.415 4.765 4.350 0.000 0.000 0.297 50 T C 0.001 174.699 174.700 -0.005 0.000 1.108 50 T CA -0.589 61.509 62.100 -0.004 0.000 1.004 50 T CB 1.688 70.553 68.868 -0.005 0.000 1.159 50 T HN 0.618 nan 8.240 nan 0.000 0.499 51 K N 1.576 121.973 120.400 -0.005 0.000 2.478 51 K HA 0.192 4.512 4.320 0.000 0.000 0.205 51 K C -0.677 175.919 176.600 -0.006 0.000 1.033 51 K CA -0.248 56.036 56.287 -0.005 0.000 1.091 51 K CB 0.496 32.993 32.500 -0.004 0.000 0.844 51 K HN 0.443 nan 8.250 nan 0.000 0.507 52 D N 0.370 120.766 120.400 -0.006 0.000 2.441 52 D HA 0.106 4.746 4.640 0.000 0.000 0.221 52 D C 1.263 177.557 176.300 -0.010 0.000 1.156 52 D CA -0.166 53.830 54.000 -0.008 0.000 0.896 52 D CB 1.014 41.810 40.800 -0.008 0.000 1.028 52 D HN 0.221 nan 8.370 nan 0.000 0.509 53 G N 2.364 111.158 108.800 -0.010 0.000 2.503 53 G HA2 -0.277 3.683 3.960 0.000 0.000 0.221 53 G HA3 -0.277 3.683 3.960 0.000 0.000 0.221 53 G C 1.522 176.412 174.900 -0.016 0.000 1.131 53 G CA 0.892 45.985 45.100 -0.012 0.000 0.756 53 G HN 0.483 nan 8.290 nan 0.000 0.572 54 V N 0.778 120.681 119.914 -0.019 0.000 2.358 54 V HA -0.172 3.948 4.120 0.000 0.000 0.246 54 V C 3.088 179.169 176.094 -0.022 0.000 1.047 54 V CA 2.186 64.471 62.300 -0.024 0.000 1.035 54 V CB -0.465 31.341 31.823 -0.029 0.000 0.658 54 V HN 0.386 nan 8.190 nan 0.000 0.452 55 S N -0.053 115.636 115.700 -0.018 0.000 2.368 55 S HA -0.173 4.298 4.470 0.000 0.000 0.225 55 S C 2.019 176.609 174.600 -0.017 0.000 1.030 55 S CA 1.573 59.763 58.200 -0.016 0.000 0.999 55 S CB -0.236 62.957 63.200 -0.012 0.000 0.844 55 S HN 0.398 nan 8.310 nan 0.000 0.459 56 V N 2.146 122.051 119.914 -0.015 0.000 2.295 56 V HA -0.208 3.912 4.120 0.000 0.000 0.246 56 V C 2.693 178.777 176.094 -0.017 0.000 1.049 56 V CA 1.688 63.979 62.300 -0.015 0.000 1.024 56 V CB -1.345 30.470 31.823 -0.012 0.000 0.648 56 V HN 0.540 nan 8.190 nan 0.000 0.447 57 A N -0.160 122.648 122.820 -0.019 0.000 1.917 57 A HA -0.311 4.009 4.320 0.000 0.000 0.219 57 A C 2.427 179.997 177.584 -0.024 0.000 1.182 57 A CA 2.287 54.311 52.037 -0.021 0.000 0.633 57 A CB -0.669 18.316 19.000 -0.024 0.000 0.819 57 A HN 0.466 nan 8.150 nan 0.000 0.448 58 R N -0.620 119.865 120.500 -0.025 0.000 2.127 58 R HA -0.133 4.207 4.340 0.000 0.000 0.238 58 R C 1.357 177.641 176.300 -0.026 0.000 1.134 58 R CA 1.487 57.571 56.100 -0.027 0.000 0.975 58 R CB -0.105 30.179 30.300 -0.026 0.000 0.865 58 R HN 0.476 nan 8.270 nan 0.000 0.447 59 E N 0.201 120.387 120.200 -0.023 0.000 2.435 59 E HA -0.013 4.337 4.350 0.000 0.000 0.195 59 E C 0.226 176.813 176.600 -0.023 0.000 1.029 59 E CA 0.210 56.596 56.400 -0.023 0.000 0.865 59 E CB 0.202 29.889 29.700 -0.022 0.000 0.833 59 E HN 0.227 nan 8.360 nan 0.000 0.510 60 I N 2.016 122.574 120.570 -0.021 0.000 2.379 60 I HA 0.142 4.312 4.170 0.000 0.000 0.290 60 I C 0.331 176.435 176.117 -0.021 0.000 1.063 60 I CA 0.174 61.463 61.300 -0.019 0.000 1.351 60 I CB 0.089 38.079 38.000 -0.016 0.000 1.410 60 I HN -0.076 nan 8.210 nan 0.000 0.505 61 E N 7.060 127.248 120.200 -0.021 0.000 2.287 61 E HA 0.468 4.818 4.350 0.000 0.000 0.274 61 E C -1.581 175.007 176.600 -0.021 0.000 0.896 61 E CA -0.574 55.812 56.400 -0.023 0.000 0.788 61 E CB 1.969 31.653 29.700 -0.027 0.000 1.244 61 E HN 0.442 nan 8.360 nan 0.000 0.408 62 L N 3.338 124.549 121.223 -0.019 0.000 2.360 62 L HA 0.356 4.696 4.340 0.000 0.000 0.271 62 L C 1.557 178.416 176.870 -0.018 0.000 1.057 62 L CA -0.361 54.471 54.840 -0.014 0.000 0.803 62 L CB 1.404 43.461 42.059 -0.005 0.000 1.207 62 L HN 0.748 nan 8.230 nan 0.000 0.445 63 E N 0.870 121.062 120.200 -0.013 0.000 2.047 63 E HA -0.181 4.169 4.350 0.000 0.000 0.191 63 E C 0.550 177.142 176.600 -0.014 0.000 0.987 63 E CA 0.621 57.013 56.400 -0.015 0.000 0.799 63 E CB 0.244 29.939 29.700 -0.008 0.000 0.752 63 E HN 0.649 nan 8.360 nan 0.000 0.449 64 D N 0.710 121.112 120.400 0.005 0.000 2.382 64 D HA -0.057 4.583 4.640 0.000 0.000 0.259 64 D C 0.622 176.914 176.300 -0.012 0.000 1.224 64 D CA 0.064 54.079 54.000 0.025 0.000 0.894 64 D CB 0.885 41.726 40.800 0.069 0.000 1.127 64 D HN 0.086 nan 8.370 nan 0.000 0.487 65 K N 3.489 123.831 120.400 -0.095 0.000 2.113 65 K HA -0.185 4.136 4.320 0.000 0.000 0.208 65 K C 1.870 178.302 176.600 -0.279 0.000 1.047 65 K CA 1.208 57.354 56.287 -0.236 0.000 0.928 65 K CB -0.264 32.002 32.500 -0.390 0.000 0.716 65 K HN 0.478 nan 8.250 nan 0.000 0.446 66 F N 1.766 121.701 119.950 -0.025 0.000 2.128 66 F HA -0.067 4.460 4.527 0.000 0.000 0.295 66 F C 2.419 178.206 175.800 -0.022 0.000 1.100 66 F CA 1.079 59.062 58.000 -0.028 0.000 1.260 66 F CB -0.467 38.515 39.000 -0.030 0.000 1.009 66 F HN 0.089 nan 8.300 nan 0.000 0.476 67 E N -0.093 120.204 120.200 0.160 0.000 2.110 67 E HA -0.249 4.101 4.350 0.000 0.000 0.193 67 E C 1.799 178.422 176.600 0.038 0.000 0.988 67 E CA 1.259 57.710 56.400 0.084 0.000 0.804 67 E CB -0.337 29.401 29.700 0.063 0.000 0.745 67 E HN 0.318 nan 8.360 nan 0.000 0.458 68 N N 0.586 119.292 118.700 0.009 0.000 2.142 68 N HA -0.128 4.613 4.740 0.000 0.000 0.186 68 N C 1.730 177.229 175.510 -0.019 0.000 1.023 68 N CA 1.139 54.179 53.050 -0.017 0.000 0.852 68 N CB 0.025 38.486 38.487 -0.043 0.000 0.998 68 N HN 0.052 nan 8.380 nan 0.000 0.424 69 M N -0.663 118.923 119.600 -0.023 0.000 2.159 69 M HA -0.038 4.442 4.480 0.000 0.000 0.263 69 M C 2.125 178.429 176.300 0.008 0.000 1.063 69 M CA 1.659 56.949 55.300 -0.017 0.000 1.110 69 M CB -0.522 32.068 32.600 -0.018 0.000 1.374 69 M HN 0.310 nan 8.290 nan 0.000 0.411 70 G N -0.122 108.694 108.800 0.027 0.000 2.446 70 G HA2 -0.195 3.765 3.960 0.000 0.000 0.217 70 G HA3 -0.195 3.765 3.960 0.000 0.000 0.217 70 G C 1.612 176.519 174.900 0.013 0.000 1.168 70 G CA 1.069 46.185 45.100 0.027 0.000 0.771 70 G HN 0.549 nan 8.290 nan 0.000 0.551 71 A N 0.005 122.829 122.820 0.007 0.000 1.877 71 A HA -0.078 4.242 4.320 0.000 0.000 0.216 71 A C 2.405 179.985 177.584 -0.007 0.000 1.186 71 A CA 2.037 54.074 52.037 -0.001 0.000 0.620 71 A CB -0.419 18.578 19.000 -0.004 0.000 0.822 71 A HN 0.309 nan 8.150 nan 0.000 0.443 72 Q N -0.532 119.261 119.800 -0.012 0.000 2.181 72 Q HA -0.129 4.211 4.340 0.000 0.000 0.205 72 Q C 2.092 178.084 176.000 -0.014 0.000 0.980 72 Q CA 1.552 57.345 55.803 -0.017 0.000 0.862 72 Q CB -0.565 28.159 28.738 -0.023 0.000 0.905 72 Q HN 0.797 nan 8.270 nan 0.000 0.429 73 M N -0.349 119.247 119.600 -0.006 0.000 2.098 73 M HA -0.113 4.367 4.480 0.000 0.000 0.262 73 M C 2.298 178.598 176.300 0.001 0.000 1.072 73 M CA 1.404 56.703 55.300 -0.000 0.000 1.133 73 M CB -0.452 32.153 32.600 0.009 0.000 1.344 73 M HN 0.165 nan 8.290 nan 0.000 0.414 74 V N -0.260 119.656 119.914 0.004 0.000 2.548 74 V HA -0.194 3.926 4.120 0.000 0.000 0.249 74 V C 2.105 178.193 176.094 -0.010 0.000 1.055 74 V CA 1.851 64.154 62.300 0.005 0.000 1.065 74 V CB -0.652 31.177 31.823 0.010 0.000 0.681 74 V HN 0.463 nan 8.190 nan 0.000 0.462 75 K N -0.542 119.849 120.400 -0.015 0.000 2.103 75 K HA -0.222 4.099 4.320 0.000 0.000 0.207 75 K C 2.322 178.897 176.600 -0.042 0.000 1.048 75 K CA 1.953 58.224 56.287 -0.027 0.000 0.930 75 K CB -0.150 32.335 32.500 -0.024 0.000 0.716 75 K HN 0.564 nan 8.250 nan 0.000 0.444 76 E N 0.154 120.331 120.200 -0.038 0.000 2.028 76 E HA -0.142 4.208 4.350 0.000 0.000 0.191 76 E C 2.066 178.617 176.600 -0.082 0.000 0.988 76 E CA 1.586 57.955 56.400 -0.052 0.000 0.799 76 E CB -0.138 29.542 29.700 -0.034 0.000 0.755 76 E HN 0.317 nan 8.360 nan 0.000 0.447 77 V N -0.903 118.976 119.914 -0.059 0.000 2.667 77 V HA 0.012 4.133 4.120 0.000 0.000 0.252 77 V C 2.239 178.226 176.094 -0.178 0.000 1.065 77 V CA 1.621 63.868 62.300 -0.088 0.000 1.083 77 V CB -0.627 31.234 31.823 0.062 0.000 0.692 77 V HN 0.165 nan 8.190 nan 0.000 0.468 78 A N 1.809 124.573 122.820 -0.094 0.000 1.902 78 A HA -0.158 4.162 4.320 0.000 0.000 0.217 78 A C 2.629 180.116 177.584 -0.160 0.000 1.181 78 A CA 2.472 54.456 52.037 -0.088 0.000 0.623 78 A CB -1.095 17.880 19.000 -0.041 0.000 0.818 78 A HN 0.992 nan 8.150 nan 0.000 0.443 79 S N -0.061 115.546 115.700 -0.155 0.000 2.419 79 S HA -0.173 4.297 4.470 0.000 0.000 0.233 79 S C 1.777 176.230 174.600 -0.246 0.000 1.016 79 S CA 1.463 59.568 58.200 -0.158 0.000 0.974 79 S CB -0.417 62.713 63.200 -0.116 0.000 0.786 79 S HN 0.591 nan 8.310 nan 0.000 0.492 80 K N 1.347 121.511 120.400 -0.393 0.000 2.152 80 K HA -0.001 4.320 4.320 0.000 0.000 0.206 80 K C 2.481 178.689 176.600 -0.653 0.000 1.048 80 K CA 1.144 57.074 56.287 -0.594 0.000 0.933 80 K CB -0.547 31.368 32.500 -0.974 0.000 0.721 80 K HN 0.550 nan 8.250 nan 0.000 0.447 81 A N 1.832 124.298 122.820 -0.591 0.000 1.845 81 A HA -0.232 4.088 4.320 0.000 0.000 0.215 81 A C 1.914 179.434 177.584 -0.106 0.000 1.195 81 A CA 1.926 53.841 52.037 -0.203 0.000 0.616 81 A CB -0.780 18.200 19.000 -0.033 0.000 0.832 81 A HN 0.276 nan 8.150 nan 0.000 0.443 82 N N 0.101 118.727 118.700 -0.123 0.000 2.137 82 N HA -0.159 4.581 4.740 0.000 0.000 0.190 82 N C 1.141 176.576 175.510 -0.125 0.000 1.017 82 N CA 1.707 54.694 53.050 -0.106 0.000 0.859 82 N CB -0.196 38.228 38.487 -0.104 0.000 1.002 82 N HN 0.458 nan 8.380 nan 0.000 0.428 83 D N -0.516 119.803 120.400 -0.136 0.000 2.117 83 D HA -0.040 4.600 4.640 0.000 0.000 0.198 83 D C 1.734 177.987 176.300 -0.077 0.000 0.982 83 D CA 1.138 55.066 54.000 -0.119 0.000 0.828 83 D CB -0.407 40.321 40.800 -0.121 0.000 0.967 83 D HN 0.346 nan 8.370 nan 0.000 0.464 84 A N 0.289 123.084 122.820 -0.043 0.000 1.968 84 A HA 0.222 4.542 4.320 0.000 0.000 0.217 84 A C 1.927 179.525 177.584 0.024 0.000 1.169 84 A CA 1.730 53.784 52.037 0.028 0.000 0.638 84 A CB 0.023 19.103 19.000 0.133 0.000 0.812 84 A HN 0.220 nan 8.150 nan 0.000 0.446 85 A N -2.774 120.049 122.820 0.004 0.000 2.585 85 A HA 0.479 4.799 4.320 0.000 0.000 0.266 85 A C 1.482 179.052 177.584 -0.023 0.000 1.178 85 A CA 0.933 52.975 52.037 0.010 0.000 0.966 85 A CB -0.389 18.631 19.000 0.032 0.000 1.170 85 A HN 1.821 nan 8.150 nan 0.000 0.558 86 G N -0.499 108.243 108.800 -0.097 0.000 2.155 86 G HA2 -0.185 3.775 3.960 0.000 0.000 0.257 86 G HA3 -0.185 3.775 3.960 0.000 0.000 0.257 86 G C -0.148 174.696 174.900 -0.094 0.000 0.983 86 G CA 0.776 45.767 45.100 -0.181 0.000 0.676 86 G HN 0.918 nan 8.290 nan 0.000 0.528 87 D N -3.157 117.211 120.400 -0.053 0.000 2.742 87 D HA 0.562 5.202 4.640 0.000 0.000 0.262 87 D C 0.820 177.112 176.300 -0.014 0.000 1.240 87 D CA 1.412 55.395 54.000 -0.029 0.000 0.752 87 D CB 0.326 41.121 40.800 -0.007 0.000 1.290 87 D HN 1.360 nan 8.370 nan 0.000 0.420 88 G N -0.083 108.712 108.800 -0.008 0.000 2.184 88 G HA2 -0.286 3.674 3.960 0.000 0.000 0.206 88 G HA3 -0.286 3.674 3.960 0.000 0.000 0.206 88 G C 1.068 175.967 174.900 -0.001 0.000 0.995 88 G CA 1.375 46.478 45.100 0.005 0.000 0.651 88 G HN 0.978 nan 8.290 nan 0.000 0.511 89 T N -1.467 113.073 114.554 -0.022 0.000 2.684 89 T HA -0.134 4.217 4.350 0.000 0.000 0.267 89 T C 2.217 176.908 174.700 -0.014 0.000 1.036 89 T CA 2.665 64.747 62.100 -0.030 0.000 1.148 89 T CB -0.906 67.934 68.868 -0.048 0.000 0.863 89 T HN 0.318 nan 8.240 nan 0.000 0.436 90 T N 1.851 116.398 114.554 -0.012 0.000 2.684 90 T HA -0.121 4.229 4.350 0.000 0.000 0.267 90 T C 2.279 176.980 174.700 0.002 0.000 1.036 90 T CA 1.942 64.039 62.100 -0.006 0.000 1.148 90 T CB -1.068 67.797 68.868 -0.006 0.000 0.863 90 T HN 0.529 nan 8.240 nan 0.000 0.436 91 T N 2.006 116.564 114.554 0.006 0.000 2.684 91 T HA -0.095 4.255 4.350 0.000 0.000 0.267 91 T C 2.377 177.089 174.700 0.019 0.000 1.036 91 T CA 1.322 63.430 62.100 0.013 0.000 1.148 91 T CB -0.652 68.226 68.868 0.016 0.000 0.863 91 T HN 0.444 nan 8.240 nan 0.000 0.436 92 A N 1.151 123.987 122.820 0.025 0.000 1.908 92 A HA -0.166 4.154 4.320 0.000 0.000 0.218 92 A C 2.558 180.158 177.584 0.028 0.000 1.181 92 A CA 2.261 54.322 52.037 0.040 0.000 0.627 92 A CB -1.292 17.739 19.000 0.053 0.000 0.818 92 A HN 0.497 nan 8.150 nan 0.000 0.445 93 T N -0.322 114.240 114.554 0.014 0.000 2.708 93 T HA -0.134 4.216 4.350 0.000 0.000 0.266 93 T C 2.012 176.718 174.700 0.010 0.000 1.037 93 T CA 1.998 64.103 62.100 0.009 0.000 1.146 93 T CB -0.703 68.164 68.868 -0.000 0.000 0.865 93 T HN 0.700 nan 8.240 nan 0.000 0.435 94 V N 0.383 120.302 119.914 0.010 0.000 2.548 94 V HA 0.024 4.144 4.120 0.000 0.000 0.249 94 V C 2.206 178.308 176.094 0.012 0.000 1.055 94 V CA 1.297 63.602 62.300 0.009 0.000 1.065 94 V CB -0.996 30.831 31.823 0.007 0.000 0.681 94 V HN 0.449 nan 8.190 nan 0.000 0.462 95 L N 0.590 121.822 121.223 0.016 0.000 2.083 95 L HA -0.040 4.300 4.340 0.000 0.000 0.209 95 L C 3.050 179.932 176.870 0.019 0.000 1.083 95 L CA 1.669 56.520 54.840 0.018 0.000 0.752 95 L CB -0.862 41.211 42.059 0.024 0.000 0.899 95 L HN 0.466 nan 8.230 nan 0.000 0.433 96 A N -0.471 122.362 122.820 0.022 0.000 1.902 96 A HA -0.284 4.037 4.320 0.000 0.000 0.217 96 A C 2.253 179.847 177.584 0.016 0.000 1.181 96 A CA 1.795 53.846 52.037 0.022 0.000 0.623 96 A CB -0.586 18.429 19.000 0.025 0.000 0.818 96 A HN 0.496 nan 8.150 nan 0.000 0.443 97 Q N -0.457 119.351 119.800 0.013 0.000 2.124 97 Q HA -0.143 4.197 4.340 0.000 0.000 0.202 97 Q C 2.127 178.133 176.000 0.010 0.000 0.977 97 Q CA 1.672 57.482 55.803 0.011 0.000 0.850 97 Q CB -0.343 28.400 28.738 0.008 0.000 0.901 97 Q HN 0.599 nan 8.270 nan 0.000 0.429 98 A N 0.889 123.715 122.820 0.010 0.000 1.855 98 A HA -0.145 4.175 4.320 0.000 0.000 0.215 98 A C 2.000 179.589 177.584 0.009 0.000 1.191 98 A CA 1.405 53.447 52.037 0.009 0.000 0.613 98 A CB -0.662 18.343 19.000 0.008 0.000 0.829 98 A HN 0.477 nan 8.150 nan 0.000 0.442 99 I N -0.294 120.283 120.570 0.011 0.000 2.179 99 I HA -0.251 3.919 4.170 0.000 0.000 0.242 99 I C 2.341 178.464 176.117 0.010 0.000 1.088 99 I CA 1.342 62.648 61.300 0.011 0.000 1.357 99 I CB -0.443 37.565 38.000 0.012 0.000 1.051 99 I HN 0.291 nan 8.210 nan 0.000 0.409 100 I N 0.456 121.034 120.570 0.012 0.000 2.179 100 I HA -0.272 3.898 4.170 0.000 0.000 0.242 100 I C 2.630 178.753 176.117 0.010 0.000 1.088 100 I CA 1.578 62.885 61.300 0.012 0.000 1.357 100 I CB -0.646 37.362 38.000 0.014 0.000 1.051 100 I HN 0.247 nan 8.210 nan 0.000 0.409 101 T N 0.297 114.856 114.554 0.009 0.000 2.652 101 T HA -0.181 4.169 4.350 0.000 0.000 0.267 101 T C 1.840 176.543 174.700 0.006 0.000 1.039 101 T CA 1.417 63.522 62.100 0.007 0.000 1.153 101 T CB -0.167 68.704 68.868 0.006 0.000 0.863 101 T HN 0.287 nan 8.240 nan 0.000 0.428 102 E N 0.503 120.706 120.200 0.006 0.000 2.107 102 E HA 0.020 4.370 4.350 0.000 0.000 0.191 102 E C 2.570 179.173 176.600 0.005 0.000 0.982 102 E CA 0.956 57.359 56.400 0.005 0.000 0.809 102 E CB -0.876 28.827 29.700 0.005 0.000 0.756 102 E HN 0.555 nan 8.360 nan 0.000 0.459 103 G N 1.456 110.260 108.800 0.007 0.000 2.440 103 G HA2 -0.230 3.730 3.960 0.000 0.000 0.218 103 G HA3 -0.230 3.730 3.960 0.000 0.000 0.218 103 G C 1.728 176.632 174.900 0.007 0.000 1.154 103 G CA 0.568 45.672 45.100 0.007 0.000 0.767 103 G HN 0.182 nan 8.290 nan 0.000 0.552 104 L N -0.277 120.950 121.223 0.007 0.000 2.093 104 L HA -0.021 4.319 4.340 0.000 0.000 0.208 104 L C 2.959 179.832 176.870 0.005 0.000 1.085 104 L CA 1.038 55.882 54.840 0.007 0.000 0.755 104 L CB -0.295 41.768 42.059 0.007 0.000 0.904 104 L HN 0.195 nan 8.230 nan 0.000 0.435 105 K N 0.155 120.558 120.400 0.004 0.000 2.026 105 K HA -0.170 4.150 4.320 0.000 0.000 0.208 105 K C 2.244 178.846 176.600 0.003 0.000 1.048 105 K CA 1.461 57.750 56.287 0.003 0.000 0.929 105 K CB -0.240 32.261 32.500 0.003 0.000 0.713 105 K HN 0.273 nan 8.250 nan 0.000 0.439 106 A N 0.920 123.742 122.820 0.003 0.000 1.940 106 A HA -0.139 4.181 4.320 0.000 0.000 0.219 106 A C 2.330 179.916 177.584 0.004 0.000 1.176 106 A CA 1.514 53.553 52.037 0.003 0.000 0.631 106 A CB -0.647 18.356 19.000 0.004 0.000 0.814 106 A HN 0.091 nan 8.150 nan 0.000 0.446 107 V N -0.226 119.691 119.914 0.005 0.000 2.295 107 V HA -0.246 3.874 4.120 0.000 0.000 0.246 107 V C 3.044 179.140 176.094 0.004 0.000 1.049 107 V CA 1.958 64.261 62.300 0.005 0.000 1.024 107 V CB -1.234 30.593 31.823 0.008 0.000 0.648 107 V HN 0.611 nan 8.190 nan 0.000 0.447 108 A N -0.077 122.745 122.820 0.003 0.000 2.019 108 A HA -0.044 4.276 4.320 0.000 0.000 0.219 108 A C 2.230 179.814 177.584 0.001 0.000 1.164 108 A CA 1.733 53.772 52.037 0.002 0.000 0.644 108 A CB -0.588 18.413 19.000 0.001 0.000 0.805 108 A HN 0.602 nan 8.150 nan 0.000 0.449 109 A N -1.822 120.999 122.820 0.001 0.000 2.235 109 A HA 0.394 4.714 4.320 0.000 0.000 0.208 109 A C 1.749 179.334 177.584 0.000 0.000 1.172 109 A CA 1.248 53.285 52.037 0.000 0.000 0.786 109 A CB -0.882 18.119 19.000 0.001 0.000 0.804 109 A HN 1.860 nan 8.150 nan 0.000 0.479 110 G N -1.917 106.884 108.800 0.001 0.000 2.144 110 G HA2 -0.219 3.741 3.960 0.000 0.000 0.218 110 G HA3 -0.219 3.741 3.960 0.000 0.000 0.218 110 G C 0.150 175.050 174.900 0.001 0.000 0.988 110 G CA 0.211 45.311 45.100 0.000 0.000 0.659 110 G HN 0.374 nan 8.290 nan 0.000 0.522 111 M N 0.537 120.138 119.600 0.002 0.000 2.255 111 M HA 0.251 4.731 4.480 0.000 0.000 0.336 111 M C 0.713 177.015 176.300 0.003 0.000 1.135 111 M CA -0.583 54.719 55.300 0.002 0.000 1.145 111 M CB 0.437 33.038 32.600 0.003 0.000 1.473 111 M HN 0.128 nan 8.290 nan 0.000 0.462 112 N N 2.606 121.308 118.700 0.003 0.000 2.438 112 N HA 0.071 4.811 4.740 0.000 0.000 0.267 112 N C -2.075 173.439 175.510 0.006 0.000 1.222 112 N CA -1.197 51.856 53.050 0.004 0.000 0.930 112 N CB 1.008 39.497 38.487 0.003 0.000 1.083 112 N HN 0.291 nan 8.380 nan 0.000 0.476 113 P HA -0.142 nan 4.420 nan 0.000 0.215 113 P C 1.678 178.983 177.300 0.008 0.000 1.157 113 P CA 1.418 64.523 63.100 0.009 0.000 0.868 113 P CB 0.207 31.915 31.700 0.013 0.000 0.788 114 M N -0.758 118.847 119.600 0.008 0.000 2.108 114 M HA -0.147 4.333 4.480 0.000 0.000 0.261 114 M C 1.576 177.879 176.300 0.005 0.000 1.066 114 M CA 1.703 57.007 55.300 0.007 0.000 1.107 114 M CB -1.845 30.759 32.600 0.007 0.000 1.356 114 M HN -0.005 nan 8.290 nan 0.000 0.406 115 D N 0.405 120.808 120.400 0.004 0.000 2.144 115 D HA -0.041 4.599 4.640 0.000 0.000 0.200 115 D C 2.342 178.644 176.300 0.003 0.000 0.978 115 D CA 0.885 54.887 54.000 0.003 0.000 0.833 115 D CB -0.097 40.705 40.800 0.002 0.000 0.961 115 D HN 0.328 nan 8.370 nan 0.000 0.470 116 L N 0.755 121.980 121.223 0.004 0.000 2.042 116 L HA -0.197 4.144 4.340 0.000 0.000 0.210 116 L C 2.542 179.415 176.870 0.004 0.000 1.076 116 L CA 1.215 56.058 54.840 0.004 0.000 0.749 116 L CB -0.314 41.748 42.059 0.005 0.000 0.893 116 L HN -0.015 nan 8.230 nan 0.000 0.432 117 K N 0.238 120.641 120.400 0.004 0.000 2.057 117 K HA -0.215 4.105 4.320 0.000 0.000 0.206 117 K C 2.320 178.921 176.600 0.001 0.000 1.050 117 K CA 1.224 57.514 56.287 0.004 0.000 0.935 117 K CB -0.018 32.485 32.500 0.005 0.000 0.715 117 K HN 0.067 nan 8.250 nan 0.000 0.439 118 R N -0.269 120.232 120.500 0.001 0.000 2.091 118 R HA -0.106 4.234 4.340 0.000 0.000 0.238 118 R C 2.308 178.607 176.300 -0.001 0.000 1.136 118 R CA 1.726 57.825 56.100 -0.001 0.000 0.959 118 R CB -0.539 29.761 30.300 -0.000 0.000 0.856 118 R HN 0.426 nan 8.270 nan 0.000 0.437 119 G N 0.781 109.581 108.800 0.000 0.000 2.421 119 G HA2 -0.244 3.717 3.960 0.000 0.000 0.216 119 G HA3 -0.244 3.717 3.960 0.000 0.000 0.216 119 G C 1.438 176.338 174.900 -0.000 0.000 1.171 119 G CA 0.865 45.965 45.100 0.000 0.000 0.775 119 G HN 0.245 nan 8.290 nan 0.000 0.543 120 I N 1.093 121.663 120.570 0.000 0.000 2.163 120 I HA -0.180 3.990 4.170 0.000 0.000 0.243 120 I C 2.363 178.477 176.117 -0.004 0.000 1.085 120 I CA 1.421 62.721 61.300 -0.000 0.000 1.347 120 I CB -0.232 37.769 38.000 0.001 0.000 1.044 120 I HN 0.074 nan 8.210 nan 0.000 0.408 121 D N 0.749 121.146 120.400 -0.006 0.000 2.117 121 D HA -0.217 4.423 4.640 0.000 0.000 0.197 121 D C 2.060 178.354 176.300 -0.010 0.000 0.987 121 D CA 1.254 55.247 54.000 -0.011 0.000 0.829 121 D CB -0.260 40.533 40.800 -0.011 0.000 0.961 121 D HN 0.298 nan 8.370 nan 0.000 0.460 122 K N 0.729 121.125 120.400 -0.007 0.000 2.026 122 K HA -0.109 4.211 4.320 0.000 0.000 0.208 122 K C 2.039 178.636 176.600 -0.005 0.000 1.048 122 K CA 1.359 57.642 56.287 -0.006 0.000 0.929 122 K CB -0.065 32.433 32.500 -0.003 0.000 0.713 122 K HN 0.023 nan 8.250 nan 0.000 0.439 123 A N 0.558 123.376 122.820 -0.003 0.000 1.933 123 A HA -0.111 4.209 4.320 0.000 0.000 0.218 123 A C 2.220 179.801 177.584 -0.004 0.000 1.175 123 A CA 1.693 53.729 52.037 -0.002 0.000 0.628 123 A CB -0.605 18.395 19.000 0.000 0.000 0.814 123 A HN 0.188 nan 8.150 nan 0.000 0.444 124 V N -0.374 119.536 119.914 -0.007 0.000 2.358 124 V HA -0.216 3.904 4.120 0.000 0.000 0.246 124 V C 2.723 178.808 176.094 -0.015 0.000 1.047 124 V CA 2.421 64.714 62.300 -0.012 0.000 1.035 124 V CB -1.311 30.501 31.823 -0.019 0.000 0.658 124 V HN 0.598 nan 8.190 nan 0.000 0.452 125 T N 0.552 115.097 114.554 -0.015 0.000 2.684 125 T HA -0.187 4.163 4.350 0.000 0.000 0.267 125 T C 2.103 176.797 174.700 -0.009 0.000 1.036 125 T CA 1.740 63.830 62.100 -0.015 0.000 1.148 125 T CB -0.481 68.379 68.868 -0.014 0.000 0.863 125 T HN 0.573 nan 8.240 nan 0.000 0.436 126 A N 1.578 124.395 122.820 -0.006 0.000 1.883 126 A HA 0.065 4.385 4.320 0.000 0.000 0.217 126 A C 2.672 180.256 177.584 -0.001 0.000 1.186 126 A CA 2.050 54.086 52.037 -0.002 0.000 0.624 126 A CB -1.233 17.767 19.000 -0.000 0.000 0.822 126 A HN 0.521 nan 8.150 nan 0.000 0.444 127 A N -0.707 122.113 122.820 -0.001 0.000 1.908 127 A HA -0.029 4.291 4.320 0.000 0.000 0.218 127 A C 2.220 179.805 177.584 0.001 0.000 1.181 127 A CA 1.868 53.906 52.037 0.002 0.000 0.627 127 A CB -0.932 18.069 19.000 0.002 0.000 0.818 127 A HN 0.434 nan 8.150 nan 0.000 0.445 128 V N 0.113 120.024 119.914 -0.005 0.000 2.427 128 V HA -0.185 3.935 4.120 0.000 0.000 0.248 128 V C 2.562 178.654 176.094 -0.002 0.000 1.051 128 V CA 2.025 64.322 62.300 -0.006 0.000 1.048 128 V CB -0.636 31.177 31.823 -0.016 0.000 0.666 128 V HN 0.497 nan 8.190 nan 0.000 0.456 129 E N -0.052 120.147 120.200 -0.002 0.000 2.047 129 E HA -0.210 4.140 4.350 0.000 0.000 0.191 129 E C 2.236 178.839 176.600 0.005 0.000 0.987 129 E CA 1.080 57.481 56.400 0.001 0.000 0.799 129 E CB -0.223 29.477 29.700 0.000 0.000 0.752 129 E HN 0.552 nan 8.360 nan 0.000 0.449 130 E N 0.572 120.775 120.200 0.006 0.000 2.160 130 E HA -0.140 4.210 4.350 0.000 0.000 0.195 130 E C 1.881 178.487 176.600 0.012 0.000 0.991 130 E CA 0.327 56.733 56.400 0.009 0.000 0.810 130 E CB -0.195 29.512 29.700 0.010 0.000 0.742 130 E HN 0.048 nan 8.360 nan 0.000 0.466 131 L N 0.538 121.767 121.223 0.010 0.000 2.072 131 L HA -0.076 4.264 4.340 0.000 0.000 0.205 131 L C 1.848 178.725 176.870 0.012 0.000 1.079 131 L CA 1.735 56.582 54.840 0.012 0.000 0.752 131 L CB -0.289 41.775 42.059 0.009 0.000 0.906 131 L HN -0.002 nan 8.230 nan 0.000 0.436 132 K N -1.049 119.357 120.400 0.009 0.000 2.057 132 K HA -0.122 4.198 4.320 0.000 0.000 0.207 132 K C 2.087 178.694 176.600 0.011 0.000 1.049 132 K CA 1.279 57.572 56.287 0.009 0.000 0.931 132 K CB -0.325 32.179 32.500 0.007 0.000 0.714 132 K HN 0.385 nan 8.250 nan 0.000 0.440 133 A N 1.460 124.286 122.820 0.011 0.000 1.877 133 A HA -0.159 4.161 4.320 0.000 0.000 0.216 133 A C 2.085 179.678 177.584 0.015 0.000 1.186 133 A CA 1.218 53.262 52.037 0.012 0.000 0.620 133 A CB -0.680 18.328 19.000 0.012 0.000 0.822 133 A HN 0.232 nan 8.150 nan 0.000 0.443 134 L N -0.073 121.161 121.223 0.017 0.000 2.191 134 L HA -0.069 4.272 4.340 0.000 0.000 0.212 134 L C 1.398 178.280 176.870 0.020 0.000 1.103 134 L CA 0.583 55.435 54.840 0.021 0.000 0.769 134 L CB -0.283 41.791 42.059 0.024 0.000 0.908 134 L HN 0.420 nan 8.230 nan 0.000 0.438 135 S N -0.488 115.222 115.700 0.017 0.000 2.552 135 S HA 0.095 4.565 4.470 0.000 0.000 0.289 135 S C -0.203 174.406 174.600 0.016 0.000 1.304 135 S CA -0.466 57.744 58.200 0.016 0.000 1.063 135 S CB 0.616 63.824 63.200 0.014 0.000 0.848 135 S HN 0.030 nan 8.310 nan 0.000 0.499 136 V N 8.216 128.139 119.914 0.016 0.000 2.435 136 V HA 0.407 4.527 4.120 0.000 0.000 0.290 136 V C -2.054 174.048 176.094 0.013 0.000 1.030 136 V CA -1.852 60.457 62.300 0.015 0.000 0.881 136 V CB 1.367 33.200 31.823 0.015 0.000 0.983 136 V HN 0.759 nan 8.190 nan 0.000 0.445 137 P HA 0.195 nan 4.420 nan 0.000 0.272 137 P C -0.637 176.669 177.300 0.010 0.000 1.230 137 P CA -0.251 62.855 63.100 0.011 0.000 0.788 137 P CB 0.485 32.191 31.700 0.010 0.000 0.949 138 C N 1.890 121.197 119.300 0.010 0.000 3.498 138 C HA 0.390 4.850 4.460 0.000 0.000 0.218 138 C C 1.093 176.088 174.990 0.008 0.000 1.284 138 C CA 0.072 59.096 59.018 0.009 0.000 1.343 138 C CB -1.441 26.305 27.740 0.010 0.000 1.825 138 C HN 0.521 nan 8.230 nan 0.000 0.518 139 S N 1.193 116.898 115.700 0.007 0.000 2.514 139 S HA 0.106 4.576 4.470 0.000 0.000 0.223 139 S C 0.321 174.924 174.600 0.005 0.000 1.046 139 S CA 0.211 58.415 58.200 0.007 0.000 0.914 139 S CB 0.084 63.288 63.200 0.007 0.000 0.807 139 S HN 0.956 nan 8.310 nan 0.000 0.497 140 D N 0.852 121.255 120.400 0.005 0.000 2.277 140 D HA 0.303 4.943 4.640 0.000 0.000 0.250 140 D C 1.054 177.355 176.300 0.002 0.000 1.032 140 D CA -0.243 53.759 54.000 0.003 0.000 0.947 140 D CB 0.803 41.605 40.800 0.003 0.000 1.159 140 D HN 0.028 nan 8.370 nan 0.000 0.460 141 S N 0.493 116.194 115.700 0.001 0.000 2.419 141 S HA -0.278 4.192 4.470 0.000 0.000 0.233 141 S C 1.601 176.201 174.600 0.000 0.000 1.016 141 S CA 1.147 59.347 58.200 0.000 0.000 0.974 141 S CB -0.477 62.723 63.200 -0.001 0.000 0.786 141 S HN 0.621 nan 8.310 nan 0.000 0.492 142 K N 1.724 122.125 120.400 0.001 0.000 2.026 142 K HA -0.036 4.284 4.320 0.000 0.000 0.208 142 K C 2.346 178.947 176.600 0.002 0.000 1.048 142 K CA 1.250 57.537 56.287 0.001 0.000 0.929 142 K CB -0.662 31.839 32.500 0.002 0.000 0.713 142 K HN 0.435 nan 8.250 nan 0.000 0.439 143 A N 1.449 124.271 122.820 0.003 0.000 1.873 143 A HA -0.110 4.210 4.320 0.000 0.000 0.215 143 A C 2.114 179.700 177.584 0.003 0.000 1.186 143 A CA 1.465 53.504 52.037 0.004 0.000 0.616 143 A CB -0.633 18.371 19.000 0.005 0.000 0.823 143 A HN 0.362 nan 8.150 nan 0.000 0.442 144 I N -0.065 120.506 120.570 0.002 0.000 2.194 144 I HA -0.364 3.806 4.170 0.000 0.000 0.246 144 I C 2.930 179.047 176.117 -0.001 0.000 1.093 144 I CA 1.278 62.579 61.300 0.001 0.000 1.355 144 I CB -0.338 37.662 38.000 -0.000 0.000 1.046 144 I HN 0.391 nan 8.210 nan 0.000 0.413 145 A N 0.011 122.831 122.820 -0.001 0.000 1.898 145 A HA -0.223 4.097 4.320 0.000 0.000 0.216 145 A C 2.254 179.837 177.584 -0.002 0.000 1.181 145 A CA 1.339 53.374 52.037 -0.002 0.000 0.620 145 A CB -0.565 18.434 19.000 -0.003 0.000 0.819 145 A HN 0.445 nan 8.150 nan 0.000 0.442 146 Q N -0.373 119.427 119.800 -0.000 0.000 2.030 146 Q HA -0.157 4.183 4.340 0.000 0.000 0.204 146 Q C 2.179 178.180 176.000 0.000 0.000 0.986 146 Q CA 1.931 57.734 55.803 -0.000 0.000 0.843 146 Q CB -0.462 28.277 28.738 0.001 0.000 0.904 146 Q HN 0.484 nan 8.270 nan 0.000 0.420 147 V N 0.500 120.415 119.914 0.002 0.000 2.287 147 V HA -0.239 3.881 4.120 0.000 0.000 0.248 147 V C 2.253 178.349 176.094 0.003 0.000 1.053 147 V CA 2.027 64.329 62.300 0.004 0.000 1.027 147 V CB -1.287 30.540 31.823 0.007 0.000 0.646 147 V HN 0.574 nan 8.190 nan 0.000 0.447 148 G N -0.463 108.337 108.800 0.001 0.000 2.422 148 G HA2 -0.242 3.718 3.960 0.000 0.000 0.218 148 G HA3 -0.242 3.718 3.960 0.000 0.000 0.218 148 G C 1.675 176.573 174.900 -0.003 0.000 1.146 148 G CA 1.560 46.659 45.100 -0.002 0.000 0.769 148 G HN 0.490 nan 8.290 nan 0.000 0.547 149 T N 1.436 115.989 114.554 -0.003 0.000 2.746 149 T HA -0.043 4.307 4.350 0.000 0.000 0.267 149 T C 2.381 177.079 174.700 -0.003 0.000 1.039 149 T CA 1.001 63.099 62.100 -0.004 0.000 1.142 149 T CB -0.152 68.714 68.868 -0.004 0.000 0.866 149 T HN 0.275 nan 8.240 nan 0.000 0.444 150 I N 1.374 121.942 120.570 -0.003 0.000 2.286 150 I HA -0.154 4.016 4.170 0.000 0.000 0.248 150 I C 2.571 178.687 176.117 -0.002 0.000 1.115 150 I CA 0.949 62.247 61.300 -0.004 0.000 1.392 150 I CB -0.395 37.603 38.000 -0.003 0.000 1.065 150 I HN 0.198 nan 8.210 nan 0.000 0.418 151 S N 0.948 116.650 115.700 0.002 0.000 2.406 151 S HA -0.009 4.461 4.470 0.000 0.000 0.228 151 S C 1.951 176.554 174.600 0.005 0.000 1.020 151 S CA 1.041 59.245 58.200 0.006 0.000 0.965 151 S CB -0.208 62.999 63.200 0.012 0.000 0.798 151 S HN 0.512 nan 8.310 nan 0.000 0.488 152 A N 1.287 124.108 122.820 0.001 0.000 2.291 152 A HA 0.291 4.611 4.320 0.000 0.000 0.220 152 A C 0.741 178.324 177.584 -0.002 0.000 1.262 152 A CA 0.141 52.177 52.037 -0.001 0.000 0.867 152 A CB -0.794 18.204 19.000 -0.004 0.000 0.888 152 A HN 0.486 nan 8.150 nan 0.000 0.487 153 N N -1.014 117.684 118.700 -0.003 0.000 2.780 153 N HA -0.210 4.530 4.740 0.000 0.000 0.247 153 N C 0.129 175.635 175.510 -0.007 0.000 1.076 153 N CA 1.055 54.102 53.050 -0.005 0.000 0.688 153 N CB -1.916 36.568 38.487 -0.005 0.000 0.957 153 N HN 0.483 nan 8.380 nan 0.000 0.551 154 S N -1.529 114.167 115.700 -0.007 0.000 3.593 154 S HA -0.212 4.258 4.470 0.000 0.000 0.301 154 S C -0.467 174.129 174.600 -0.006 0.000 1.209 154 S CA 0.727 58.922 58.200 -0.007 0.000 0.878 154 S CB -1.076 62.118 63.200 -0.009 0.000 1.000 154 S HN 0.728 nan 8.310 nan 0.000 0.578 155 D N 1.333 121.730 120.400 -0.006 0.000 2.456 155 D HA 0.282 4.922 4.640 0.000 0.000 0.219 155 D C 1.104 177.401 176.300 -0.006 0.000 1.126 155 D CA -0.347 53.650 54.000 -0.005 0.000 0.890 155 D CB 0.467 41.263 40.800 -0.005 0.000 1.025 155 D HN 0.448 nan 8.370 nan 0.000 0.511 156 E N 1.049 121.246 120.200 -0.005 0.000 2.219 156 E HA -0.171 4.179 4.350 0.000 0.000 0.198 156 E C 1.366 177.963 176.600 -0.006 0.000 0.998 156 E CA 1.163 57.559 56.400 -0.005 0.000 0.818 156 E CB 0.302 29.999 29.700 -0.004 0.000 0.741 156 E HN 0.478 nan 8.360 nan 0.000 0.477 157 T N 0.751 115.301 114.554 -0.006 0.000 2.622 157 T HA -0.170 4.180 4.350 0.000 0.000 0.266 157 T C 2.116 176.811 174.700 -0.008 0.000 1.047 157 T CA 1.528 63.624 62.100 -0.007 0.000 1.159 157 T CB -0.348 68.516 68.868 -0.006 0.000 0.863 157 T HN 0.005 nan 8.240 nan 0.000 0.422 158 V N 1.531 121.440 119.914 -0.009 0.000 2.287 158 V HA -0.168 3.952 4.120 0.000 0.000 0.248 158 V C 2.896 178.984 176.094 -0.011 0.000 1.053 158 V CA 2.070 64.363 62.300 -0.011 0.000 1.027 158 V CB -1.563 30.254 31.823 -0.010 0.000 0.646 158 V HN 0.632 nan 8.190 nan 0.000 0.447 159 G N -0.414 108.381 108.800 -0.008 0.000 2.476 159 G HA2 -0.361 3.599 3.960 0.000 0.000 0.218 159 G HA3 -0.361 3.599 3.960 0.000 0.000 0.218 159 G C 1.644 176.539 174.900 -0.008 0.000 1.164 159 G CA 1.307 46.403 45.100 -0.007 0.000 0.768 159 G HN 0.517 nan 8.290 nan 0.000 0.560 160 K N -0.022 120.374 120.400 -0.007 0.000 2.002 160 K HA 0.006 4.326 4.320 0.000 0.000 0.209 160 K C 2.590 179.184 176.600 -0.009 0.000 1.048 160 K CA 1.044 57.327 56.287 -0.007 0.000 0.930 160 K CB -0.347 32.149 32.500 -0.006 0.000 0.714 160 K HN 0.334 nan 8.250 nan 0.000 0.438 161 L N 1.043 122.260 121.223 -0.011 0.000 1.997 161 L HA -0.268 4.072 4.340 0.000 0.000 0.216 161 L C 2.527 179.388 176.870 -0.016 0.000 1.074 161 L CA 1.595 56.427 54.840 -0.013 0.000 0.763 161 L CB -0.426 41.624 42.059 -0.015 0.000 0.890 161 L HN 0.307 nan 8.230 nan 0.000 0.434 162 I N -0.563 119.996 120.570 -0.018 0.000 2.208 162 I HA -0.324 3.846 4.170 0.000 0.000 0.245 162 I C 2.747 178.855 176.117 -0.015 0.000 1.097 162 I CA 1.237 62.524 61.300 -0.021 0.000 1.363 162 I CB -0.501 37.486 38.000 -0.022 0.000 1.051 162 I HN 0.266 nan 8.210 nan 0.000 0.413 163 A N 0.560 123.373 122.820 -0.011 0.000 1.902 163 A HA -0.210 4.111 4.320 0.000 0.000 0.217 163 A C 2.196 179.775 177.584 -0.008 0.000 1.181 163 A CA 1.614 53.646 52.037 -0.008 0.000 0.623 163 A CB -0.528 18.468 19.000 -0.006 0.000 0.818 163 A HN 0.467 nan 8.150 nan 0.000 0.443 164 E N -0.110 120.085 120.200 -0.009 0.000 2.072 164 E HA -0.087 4.263 4.350 0.000 0.000 0.191 164 E C 2.329 178.923 176.600 -0.009 0.000 0.985 164 E CA 0.888 57.283 56.400 -0.008 0.000 0.801 164 E CB -0.314 29.381 29.700 -0.008 0.000 0.750 164 E HN 0.608 nan 8.360 nan 0.000 0.452 165 A N 1.452 124.264 122.820 -0.012 0.000 1.877 165 A HA -0.181 4.139 4.320 0.000 0.000 0.216 165 A C 2.194 179.771 177.584 -0.012 0.000 1.186 165 A CA 1.439 53.467 52.037 -0.014 0.000 0.620 165 A CB -0.464 18.524 19.000 -0.020 0.000 0.822 165 A HN 0.134 nan 8.150 nan 0.000 0.443 166 M N -1.054 118.539 119.600 -0.011 0.000 2.296 166 M HA -0.116 4.364 4.480 0.000 0.000 0.265 166 M C 1.739 178.036 176.300 -0.005 0.000 1.064 166 M CA 1.676 56.971 55.300 -0.008 0.000 1.109 166 M CB -0.461 32.134 32.600 -0.007 0.000 1.396 166 M HN 0.474 nan 8.290 nan 0.000 0.430 167 D N 0.671 121.068 120.400 -0.005 0.000 2.178 167 D HA -0.120 4.520 4.640 0.000 0.000 0.202 167 D C 1.987 178.285 176.300 -0.004 0.000 0.974 167 D CA 1.104 55.102 54.000 -0.004 0.000 0.841 167 D CB 0.285 41.083 40.800 -0.004 0.000 0.953 167 D HN 0.024 nan 8.370 nan 0.000 0.478 168 K N -0.157 120.240 120.400 -0.005 0.000 2.031 168 K HA -0.014 4.306 4.320 0.000 0.000 0.205 168 K C 1.885 178.483 176.600 -0.004 0.000 1.049 168 K CA 1.240 57.525 56.287 -0.004 0.000 0.939 168 K CB -0.270 32.226 32.500 -0.006 0.000 0.717 168 K HN 0.305 nan 8.250 nan 0.000 0.438 169 V N -3.131 116.781 119.914 -0.004 0.000 3.427 169 V HA 0.433 4.553 4.120 0.000 0.000 0.305 169 V C 0.466 176.559 176.094 -0.001 0.000 1.412 169 V CA 0.095 62.394 62.300 -0.002 0.000 1.086 169 V CB -0.215 31.606 31.823 -0.003 0.000 0.964 169 V HN 0.346 nan 8.190 nan 0.000 0.439 170 G N 2.082 110.881 108.800 -0.002 0.000 2.690 170 G HA2 -0.159 3.801 3.960 0.000 0.000 0.686 170 G HA3 -0.159 3.801 3.960 0.000 0.000 0.686 170 G C 0.044 174.944 174.900 -0.000 0.000 1.277 170 G CA -0.149 44.952 45.100 0.000 0.000 0.799 170 G HN 0.629 nan 8.290 nan 0.000 0.613 171 K N -0.152 120.249 120.400 0.002 0.000 2.525 171 K HA 0.111 4.431 4.320 0.000 0.000 0.192 171 K C 0.551 177.154 176.600 0.005 0.000 1.029 171 K CA 1.100 57.388 56.287 0.002 0.000 1.029 171 K CB 0.519 33.022 32.500 0.004 0.000 0.814 171 K HN 0.430 nan 8.250 nan 0.000 0.503 172 E N 1.209 121.412 120.200 0.006 0.000 2.660 172 E HA 0.122 4.472 4.350 0.000 0.000 0.216 172 E C 0.358 176.963 176.600 0.008 0.000 0.986 172 E CA -0.085 56.320 56.400 0.009 0.000 1.037 172 E CB 1.211 30.917 29.700 0.011 0.000 1.041 172 E HN 0.366 nan 8.360 nan 0.000 0.480 173 G N 0.569 109.372 108.800 0.004 0.000 2.477 173 G HA2 0.366 4.326 3.960 0.000 0.000 0.304 173 G HA3 0.366 4.326 3.960 0.000 0.000 0.304 173 G C 0.075 174.975 174.900 -0.000 0.000 1.175 173 G CA -0.454 44.648 45.100 0.003 0.000 0.907 173 G HN -0.055 nan 8.290 nan 0.000 0.509 174 V N 1.102 121.017 119.914 0.002 0.000 2.521 174 V HA 0.249 4.369 4.120 0.000 0.000 0.286 174 V C 0.255 176.342 176.094 -0.012 0.000 1.034 174 V CA 0.437 62.735 62.300 -0.003 0.000 1.045 174 V CB 0.277 32.102 31.823 0.005 0.000 0.974 174 V HN 0.419 nan 8.190 nan 0.000 0.480 175 I N 4.260 124.816 120.570 -0.024 0.000 2.534 175 I HA 0.472 4.642 4.170 0.000 0.000 0.288 175 I C -0.157 175.933 176.117 -0.045 0.000 1.077 175 I CA -0.207 61.073 61.300 -0.034 0.000 1.051 175 I CB 2.395 40.369 38.000 -0.042 0.000 1.234 175 I HN 0.533 nan 8.210 nan 0.000 0.425 176 T N 4.778 119.310 114.554 -0.037 0.000 2.924 176 T HA 0.643 4.993 4.350 0.000 0.000 0.291 176 T C -0.556 174.121 174.700 -0.038 0.000 1.045 176 T CA -0.663 61.414 62.100 -0.038 0.000 1.015 176 T CB 2.575 71.428 68.868 -0.025 0.000 1.103 176 T HN 0.448 nan 8.240 nan 0.000 0.496 177 V N -0.466 119.426 119.914 -0.037 0.000 2.680 177 V HA 0.875 4.995 4.120 0.000 0.000 0.309 177 V C -1.014 175.068 176.094 -0.020 0.000 1.052 177 V CA -0.764 61.518 62.300 -0.031 0.000 0.908 177 V CB 1.794 33.594 31.823 -0.038 0.000 1.001 177 V HN 0.956 nan 8.190 nan 0.000 0.431 178 E N 1.708 121.899 120.200 -0.016 0.000 2.429 178 E HA 0.408 4.758 4.350 0.000 0.000 0.276 178 E C -1.650 174.944 176.600 -0.010 0.000 0.953 178 E CA -1.031 55.362 56.400 -0.011 0.000 0.787 178 E CB 1.827 31.521 29.700 -0.012 0.000 1.307 178 E HN 0.793 nan 8.360 nan 0.000 0.458 179 D N 1.033 121.428 120.400 -0.007 0.000 2.443 179 D HA 0.152 4.792 4.640 0.000 0.000 0.239 179 D C 0.251 176.547 176.300 -0.008 0.000 1.136 179 D CA 0.386 54.382 54.000 -0.006 0.000 0.879 179 D CB 0.926 41.723 40.800 -0.005 0.000 1.195 179 D HN 0.500 nan 8.370 nan 0.000 0.443 180 G N -0.364 108.432 108.800 -0.007 0.000 2.580 180 G HA2 0.261 4.221 3.960 0.000 0.000 0.278 180 G HA3 0.261 4.221 3.960 0.000 0.000 0.278 180 G C 1.033 175.929 174.900 -0.007 0.000 1.212 180 G CA -0.210 44.885 45.100 -0.008 0.000 0.939 180 G HN 0.448 nan 8.290 nan 0.000 0.513 181 T N -3.310 111.240 114.554 -0.007 0.000 3.113 181 T HA 0.422 4.772 4.350 0.000 0.000 0.256 181 T C 1.036 175.733 174.700 -0.006 0.000 1.131 181 T CA 0.725 62.821 62.100 -0.007 0.000 1.074 181 T CB -0.090 68.773 68.868 -0.007 0.000 0.944 181 T HN 2.101 nan 8.240 nan 0.000 0.516 182 G N 1.596 110.392 108.800 -0.006 0.000 3.305 182 G HA2 0.314 4.274 3.960 0.000 0.000 0.649 182 G HA3 0.314 4.274 3.960 0.000 0.000 0.649 182 G C -0.747 174.150 174.900 -0.005 0.000 1.255 182 G CA -0.696 44.401 45.100 -0.005 0.000 1.137 182 G HN 0.753 nan 8.290 nan 0.000 0.535 183 L N 1.029 122.249 121.223 -0.005 0.000 1.712 183 L HA -0.172 4.168 4.340 0.000 0.000 0.402 183 L C 0.294 177.161 176.870 -0.005 0.000 1.004 183 L CA 2.324 57.161 54.840 -0.004 0.000 1.208 183 L CB -0.560 41.497 42.059 -0.004 0.000 0.528 183 L HN 1.948 nan 8.230 nan 0.000 0.369 184 Q N 2.287 122.084 119.800 -0.005 0.000 3.149 184 Q HA -0.077 4.263 4.340 0.000 0.000 0.055 184 Q C -0.556 175.441 176.000 -0.006 0.000 1.662 184 Q CA 0.870 56.670 55.803 -0.005 0.000 0.281 184 Q CB -0.133 28.602 28.738 -0.005 0.000 0.584 184 Q HN 0.686 nan 8.270 nan 0.000 0.322 185 D N 2.512 122.908 120.400 -0.007 0.000 2.371 185 D HA 0.293 4.933 4.640 0.000 0.000 0.242 185 D C -0.013 176.282 176.300 -0.008 0.000 1.218 185 D CA 0.191 54.187 54.000 -0.008 0.000 0.945 185 D CB 0.697 41.491 40.800 -0.009 0.000 1.137 185 D HN 0.364 nan 8.370 nan 0.000 0.464 186 E N -0.240 119.954 120.200 -0.009 0.000 2.304 186 E HA 0.397 4.747 4.350 0.000 0.000 0.277 186 E C -1.288 175.306 176.600 -0.010 0.000 0.898 186 E CA -0.767 55.628 56.400 -0.009 0.000 0.764 186 E CB 2.310 32.005 29.700 -0.009 0.000 1.216 186 E HN 0.071 nan 8.360 nan 0.000 0.419 187 L N 3.279 124.497 121.223 -0.009 0.000 2.343 187 L HA 0.527 4.867 4.340 0.000 0.000 0.278 187 L C -1.639 175.226 176.870 -0.009 0.000 0.996 187 L CA -0.169 54.665 54.840 -0.010 0.000 0.831 187 L CB 1.078 43.131 42.059 -0.010 0.000 1.232 187 L HN 0.419 nan 8.230 nan 0.000 0.413 188 D N 4.362 124.756 120.400 -0.009 0.000 2.738 188 D HA 0.477 5.117 4.640 0.000 0.000 0.237 188 D C -1.049 175.246 176.300 -0.007 0.000 1.123 188 D CA -0.255 53.741 54.000 -0.008 0.000 0.856 188 D CB 2.773 43.568 40.800 -0.008 0.000 1.552 188 D HN 0.258 nan 8.370 nan 0.000 0.480 189 V N 1.337 121.247 119.914 -0.006 0.000 2.398 189 V HA 0.521 4.641 4.120 0.000 0.000 0.286 189 V C 0.517 176.609 176.094 -0.003 0.000 1.026 189 V CA -0.653 61.644 62.300 -0.005 0.000 0.868 189 V CB 1.384 33.205 31.823 -0.004 0.000 0.982 189 V HN 0.506 nan 8.190 nan 0.000 0.443 190 V N 1.339 121.252 119.914 -0.002 0.000 3.164 190 V HA 0.713 4.833 4.120 0.000 0.000 0.313 190 V C -0.414 175.681 176.094 0.002 0.000 1.188 190 V CA -1.057 61.242 62.300 -0.001 0.000 1.058 190 V CB 2.171 33.993 31.823 -0.002 0.000 1.110 190 V HN 0.638 nan 8.190 nan 0.000 0.453 191 E N 1.313 121.515 120.200 0.004 0.000 2.299 191 E HA 0.627 4.978 4.350 0.000 0.000 0.272 191 E C 0.189 176.796 176.600 0.012 0.000 1.043 191 E CA 0.820 57.225 56.400 0.007 0.000 0.895 191 E CB 0.804 30.508 29.700 0.006 0.000 1.011 191 E HN 1.178 nan 8.360 nan 0.000 0.432 192 G N 1.419 110.230 108.800 0.018 0.000 2.548 192 G HA2 0.631 4.591 3.960 0.000 0.000 0.301 192 G HA3 0.631 4.591 3.960 0.000 0.000 0.301 192 G C -1.187 173.737 174.900 0.041 0.000 1.349 192 G CA -0.591 44.526 45.100 0.028 0.000 0.792 192 G HN 0.405 nan 8.290 nan 0.000 0.481 193 M N -0.560 119.078 119.600 0.063 0.000 2.833 193 M HA 0.619 5.099 4.480 0.000 0.000 0.270 193 M C -2.328 174.046 176.300 0.124 0.000 1.209 193 M CA -0.688 54.667 55.300 0.093 0.000 0.826 193 M CB 2.472 35.138 32.600 0.109 0.000 1.657 193 M HN 0.755 nan 8.290 nan 0.000 0.492 194 Q N 2.569 122.460 119.800 0.152 0.000 2.281 194 Q HA 0.599 4.939 4.340 0.000 0.000 0.263 194 Q C -2.265 173.856 176.000 0.202 0.000 0.989 194 Q CA -0.659 55.207 55.803 0.105 0.000 0.852 194 Q CB 1.891 30.640 28.738 0.017 0.000 1.337 194 Q HN 0.567 nan 8.270 nan 0.000 0.418 195 F N -0.141 119.812 119.950 0.004 0.000 2.611 195 F HA 0.583 5.110 4.527 0.000 0.000 0.324 195 F C -0.461 175.342 175.800 0.005 0.000 1.061 195 F CA -1.323 56.681 58.000 0.007 0.000 0.954 195 F CB 1.023 40.029 39.000 0.009 0.000 1.301 195 F HN 0.295 nan 8.300 nan 0.000 0.482 196 D N 2.671 123.167 120.400 0.159 0.000 2.619 196 D HA 0.215 4.855 4.640 0.000 0.000 0.224 196 D C -0.355 175.980 176.300 0.059 0.000 1.133 196 D CA 0.234 54.262 54.000 0.047 0.000 1.017 196 D CB -0.058 40.782 40.800 0.066 0.000 1.077 196 D HN 0.288 nan 8.370 nan 0.000 0.503 197 R N 0.417 120.886 120.500 -0.051 0.000 2.510 197 R HA 0.450 4.790 4.340 0.000 0.000 0.287 197 R C 0.250 176.462 176.300 -0.146 0.000 1.084 197 R CA -0.683 55.414 56.100 -0.005 0.000 0.934 197 R CB 1.951 32.382 30.300 0.217 0.000 1.201 197 R HN 0.231 nan 8.270 nan 0.000 0.431 198 G N 1.280 109.988 108.800 -0.154 0.000 2.537 198 G HA2 0.396 4.356 3.960 0.000 0.000 0.297 198 G HA3 0.396 4.356 3.960 0.000 0.000 0.297 198 G C -0.504 174.294 174.900 -0.169 0.000 1.310 198 G CA -0.483 44.441 45.100 -0.294 0.000 1.027 198 G HN 0.440 nan 8.290 nan 0.000 0.505 199 Y N -1.389 118.944 120.300 0.055 0.000 2.578 199 Y HA 0.260 4.811 4.550 0.000 0.000 0.339 199 Y C 1.177 177.186 175.900 0.182 0.000 1.231 199 Y CA -1.108 57.079 58.100 0.145 0.000 1.461 199 Y CB 0.326 38.919 38.460 0.220 0.000 1.323 199 Y HN 0.181 nan 8.280 nan 0.000 0.590 200 L N 2.227 123.753 121.223 0.505 0.000 2.650 200 L HA 0.092 4.432 4.340 0.000 0.000 0.235 200 L C 0.267 177.341 176.870 0.341 0.000 1.149 200 L CA 0.949 56.016 54.840 0.380 0.000 0.887 200 L CB -0.683 41.589 42.059 0.355 0.000 1.021 200 L HN 0.917 nan 8.230 nan 0.000 0.441 201 S N -3.286 112.654 115.700 0.400 0.000 2.744 201 S HA 0.233 4.703 4.470 0.000 0.000 0.284 201 S C -2.924 171.528 174.600 -0.247 0.000 0.979 201 S CA -1.152 57.096 58.200 0.081 0.000 0.870 201 S CB 0.807 63.966 63.200 -0.069 0.000 1.094 201 S HN -0.252 nan 8.310 nan 0.000 0.458 202 P HA 0.438 nan 4.420 nan 0.000 0.335 202 P C 0.314 177.271 177.300 -0.573 0.000 1.379 202 P CA 0.611 63.234 63.100 -0.796 0.000 0.794 202 P CB -0.111 31.150 31.700 -0.731 0.000 1.849 203 Y N -4.838 115.267 120.300 -0.326 0.000 2.884 203 Y HA -0.297 4.253 4.550 0.000 0.000 0.483 203 Y C 1.885 177.688 175.900 -0.162 0.000 1.209 203 Y CA 1.421 59.364 58.100 -0.262 0.000 2.681 203 Y CB -2.999 35.246 38.460 -0.359 0.000 0.894 203 Y HN 0.096 nan 8.280 nan 0.000 0.529 204 F N 0.352 120.292 119.950 -0.017 0.000 2.234 204 F HA -0.008 4.519 4.527 0.000 0.000 0.299 204 F C 1.545 177.304 175.800 -0.069 0.000 1.087 204 F CA 0.533 58.517 58.000 -0.027 0.000 1.340 204 F CB -0.615 38.372 39.000 -0.023 0.000 1.031 204 F HN -0.028 nan 8.300 nan 0.000 0.500 205 I N 2.543 123.112 120.570 -0.002 0.000 2.943 205 I HA -0.220 3.950 4.170 0.000 0.000 0.296 205 I C 0.550 176.675 176.117 0.013 0.000 1.220 205 I CA 0.578 61.851 61.300 -0.045 0.000 1.409 205 I CB -0.030 37.870 38.000 -0.167 0.000 1.374 205 I HN 0.231 nan 8.210 nan 0.000 0.545 206 N N 5.418 124.139 118.700 0.035 0.000 2.200 206 N HA 0.104 4.844 4.740 0.000 0.000 0.224 206 N C -0.220 175.304 175.510 0.023 0.000 1.179 206 N CA -0.264 52.806 53.050 0.034 0.000 0.877 206 N CB 0.541 39.054 38.487 0.044 0.000 1.072 206 N HN 0.402 nan 8.380 nan 0.000 0.519 207 K N 1.084 121.496 120.400 0.020 0.000 3.098 207 K HA 0.208 4.528 4.320 0.000 0.000 0.170 207 K C -2.187 174.421 176.600 0.014 0.000 1.106 207 K CA -1.295 55.003 56.287 0.019 0.000 0.864 207 K CB 2.207 34.722 32.500 0.025 0.000 1.047 207 K HN -0.019 nan 8.250 nan 0.000 0.609 208 P HA -0.218 nan 4.420 nan 0.000 0.217 208 P C 0.501 177.802 177.300 0.001 0.000 1.148 208 P CA 1.483 64.579 63.100 -0.006 0.000 0.828 208 P CB 0.487 32.181 31.700 -0.010 0.000 0.783 209 E N -0.133 120.071 120.200 0.007 0.000 2.097 209 E HA -0.124 4.226 4.350 0.000 0.000 0.196 209 E C 1.703 178.311 176.600 0.013 0.000 1.000 209 E CA 1.962 58.367 56.400 0.009 0.000 0.804 209 E CB -1.294 28.412 29.700 0.011 0.000 0.740 209 E HN 0.326 nan 8.360 nan 0.000 0.454 210 T N -1.307 113.259 114.554 0.021 0.000 3.054 210 T HA 0.297 4.648 4.350 0.000 0.000 0.255 210 T C 1.042 175.768 174.700 0.042 0.000 1.035 210 T CA 0.198 62.317 62.100 0.031 0.000 0.941 210 T CB 0.664 69.556 68.868 0.040 0.000 1.026 210 T HN 0.347 nan 8.240 nan 0.000 0.533 211 G N 1.918 110.740 108.800 0.036 0.000 2.338 211 G HA2 0.017 3.977 3.960 0.000 0.000 0.296 211 G HA3 0.017 3.977 3.960 0.000 0.000 0.296 211 G C 0.061 175.038 174.900 0.128 0.000 1.040 211 G CA 0.119 45.252 45.100 0.055 0.000 1.004 211 G HN 0.925 nan 8.290 nan 0.000 0.509 212 A N -1.174 121.705 122.820 0.098 0.000 2.423 212 A HA 0.903 5.223 4.320 0.000 0.000 0.304 212 A C -0.238 177.408 177.584 0.104 0.000 1.104 212 A CA -0.414 51.703 52.037 0.133 0.000 0.757 212 A CB 2.155 21.207 19.000 0.086 0.000 1.313 212 A HN 1.189 nan 8.150 nan 0.000 0.423 213 V N 1.175 121.169 119.914 0.134 0.000 2.394 213 V HA 0.497 4.617 4.120 0.000 0.000 0.282 213 V C -0.023 176.104 176.094 0.056 0.000 1.031 213 V CA -0.299 62.059 62.300 0.097 0.000 0.881 213 V CB 1.225 33.126 31.823 0.131 0.000 0.982 213 V HN 0.914 nan 8.190 nan 0.000 0.451 214 E N 4.821 125.043 120.200 0.036 0.000 2.220 214 E HA 0.559 4.909 4.350 0.000 0.000 0.256 214 E C -1.573 175.032 176.600 0.008 0.000 0.881 214 E CA -0.524 55.887 56.400 0.019 0.000 0.766 214 E CB 1.336 31.046 29.700 0.017 0.000 1.187 214 E HN 0.630 nan 8.360 nan 0.000 0.419 215 L N 3.397 124.619 121.223 -0.002 0.000 2.325 215 L HA 0.502 4.842 4.340 0.000 0.000 0.278 215 L C -0.160 176.698 176.870 -0.020 0.000 1.023 215 L CA -0.783 54.051 54.840 -0.011 0.000 0.811 215 L CB 1.753 43.802 42.059 -0.017 0.000 1.249 215 L HN 0.476 nan 8.230 nan 0.000 0.431 216 E N 1.368 121.552 120.200 -0.027 0.000 2.145 216 E HA 0.307 4.657 4.350 0.000 0.000 0.270 216 E C -0.457 176.103 176.600 -0.067 0.000 0.906 216 E CA -0.513 55.864 56.400 -0.039 0.000 0.761 216 E CB 1.580 31.262 29.700 -0.030 0.000 1.116 216 E HN 0.623 nan 8.360 nan 0.000 0.408 217 S N 1.867 117.518 115.700 -0.081 0.000 3.706 217 S HA -0.122 4.349 4.470 0.000 0.000 0.363 217 S C -2.161 172.318 174.600 -0.201 0.000 0.999 217 S CA 0.318 58.438 58.200 -0.134 0.000 1.143 217 S CB -1.411 61.707 63.200 -0.137 0.000 0.902 217 S HN 0.511 nan 8.310 nan 0.000 0.476 218 P HA 0.548 nan 4.420 nan 0.000 0.279 218 P C -0.016 177.200 177.300 -0.140 0.000 1.252 218 P CA -0.616 62.408 63.100 -0.126 0.000 0.811 218 P CB 0.577 32.256 31.700 -0.035 0.000 1.035 219 F N 0.698 120.646 119.950 -0.002 0.000 2.368 219 F HA 0.443 4.970 4.527 0.000 0.000 0.315 219 F C 0.933 176.733 175.800 0.000 0.000 1.145 219 F CA -0.241 57.758 58.000 -0.000 0.000 1.095 219 F CB 0.536 39.535 39.000 -0.002 0.000 1.286 219 F HN 0.073 nan 8.300 nan 0.000 0.530 220 I N 3.077 123.790 120.570 0.240 0.000 2.497 220 I HA 0.203 4.373 4.170 0.000 0.000 0.284 220 I C -1.506 174.661 176.117 0.084 0.000 1.060 220 I CA -0.804 60.571 61.300 0.125 0.000 1.071 220 I CB 1.861 39.918 38.000 0.095 0.000 1.216 220 I HN 0.211 nan 8.210 nan 0.000 0.442 221 L N 8.236 129.493 121.223 0.056 0.000 2.260 221 L HA 0.517 4.857 4.340 0.000 0.000 0.289 221 L C -1.061 175.820 176.870 0.019 0.000 1.057 221 L CA 0.069 54.923 54.840 0.024 0.000 0.811 221 L CB 0.749 42.814 42.059 0.011 0.000 1.184 221 L HN 0.450 nan 8.230 nan 0.000 0.429 222 L N 6.444 127.671 121.223 0.008 0.000 2.276 222 L HA 0.740 5.080 4.340 0.000 0.000 0.286 222 L C -0.036 176.830 176.870 -0.006 0.000 1.024 222 L CA -0.437 54.402 54.840 -0.003 0.000 0.826 222 L CB 1.196 43.246 42.059 -0.014 0.000 1.211 222 L HN 0.806 nan 8.230 nan 0.000 0.422 223 A N 1.753 124.573 122.820 -0.001 0.000 2.311 223 A HA 0.343 4.664 4.320 0.000 0.000 0.306 223 A C -0.396 177.189 177.584 0.001 0.000 1.189 223 A CA -0.537 51.500 52.037 0.000 0.000 0.791 223 A CB 0.878 19.883 19.000 0.007 0.000 1.172 223 A HN 0.698 nan 8.150 nan 0.000 0.481 224 D N 2.578 122.976 120.400 -0.003 0.000 2.934 224 D HA 0.277 4.917 4.640 0.000 0.000 0.237 224 D C 0.245 176.549 176.300 0.006 0.000 1.158 224 D CA 0.455 54.454 54.000 -0.002 0.000 0.971 224 D CB -0.566 40.229 40.800 -0.009 0.000 1.123 224 D HN 0.624 nan 8.370 nan 0.000 0.467 225 K N -1.175 119.233 120.400 0.013 0.000 2.672 225 K HA 0.372 4.692 4.320 0.000 0.000 0.295 225 K C -1.171 175.444 176.600 0.026 0.000 1.042 225 K CA -1.201 55.097 56.287 0.018 0.000 0.869 225 K CB 0.876 33.384 32.500 0.014 0.000 1.541 225 K HN -0.212 nan 8.250 nan 0.000 0.396 226 K N 1.137 121.554 120.400 0.028 0.000 2.156 226 K HA 0.427 4.747 4.320 0.000 0.000 0.271 226 K C -0.604 176.015 176.600 0.032 0.000 0.995 226 K CA -0.574 55.734 56.287 0.034 0.000 0.890 226 K CB 1.088 33.609 32.500 0.035 0.000 1.073 226 K HN 0.380 nan 8.250 nan 0.000 0.454 227 I N 2.404 122.997 120.570 0.037 0.000 2.307 227 I HA 0.054 4.225 4.170 0.000 0.000 0.289 227 I C 0.565 176.704 176.117 0.037 0.000 1.021 227 I CA 0.011 61.333 61.300 0.035 0.000 1.224 227 I CB 1.572 39.596 38.000 0.039 0.000 1.376 227 I HN 0.697 nan 8.210 nan 0.000 0.470 228 S N 3.688 119.406 115.700 0.029 0.000 2.527 228 S HA 0.068 4.538 4.470 0.000 0.000 0.225 228 S C 0.865 175.479 174.600 0.023 0.000 1.046 228 S CA 0.116 58.331 58.200 0.027 0.000 0.929 228 S CB 0.107 63.320 63.200 0.022 0.000 0.851 228 S HN 0.638 nan 8.310 nan 0.000 0.565 229 N N 2.114 120.826 118.700 0.019 0.000 2.415 229 N HA 0.202 4.942 4.740 0.000 0.000 0.246 229 N C 0.220 175.740 175.510 0.017 0.000 1.078 229 N CA -0.014 53.046 53.050 0.016 0.000 0.942 229 N CB 0.540 39.034 38.487 0.012 0.000 1.140 229 N HN 0.289 nan 8.380 nan 0.000 0.501 230 I N 3.265 123.846 120.570 0.020 0.000 3.164 230 I HA -0.160 4.010 4.170 0.000 0.000 0.278 230 I C 1.912 178.038 176.117 0.015 0.000 1.320 230 I CA 0.474 61.787 61.300 0.022 0.000 1.422 230 I CB 0.109 38.125 38.000 0.026 0.000 1.066 230 I HN 0.444 nan 8.210 nan 0.000 0.503 231 R N 0.910 121.416 120.500 0.011 0.000 2.075 231 R HA -0.169 4.171 4.340 0.000 0.000 0.232 231 R C 1.995 178.298 176.300 0.005 0.000 1.126 231 R CA 1.549 57.654 56.100 0.007 0.000 0.963 231 R CB -0.192 30.111 30.300 0.005 0.000 0.858 231 R HN 0.413 nan 8.270 nan 0.000 0.435 232 E N -0.538 119.665 120.200 0.006 0.000 2.147 232 E HA -0.270 4.080 4.350 0.000 0.000 0.199 232 E C 1.773 178.373 176.600 0.000 0.000 1.005 232 E CA 1.411 57.813 56.400 0.003 0.000 0.810 232 E CB -0.061 29.642 29.700 0.006 0.000 0.736 232 E HN 0.300 nan 8.360 nan 0.000 0.460 233 M N 0.032 119.634 119.600 0.004 0.000 2.156 233 M HA -0.083 4.397 4.480 0.000 0.000 0.264 233 M C 2.394 178.692 176.300 -0.003 0.000 1.067 233 M CA 0.985 56.286 55.300 0.002 0.000 1.131 233 M CB -0.896 31.712 32.600 0.012 0.000 1.368 233 M HN 0.162 nan 8.290 nan 0.000 0.416 234 L N 0.527 121.750 121.223 0.001 0.000 2.064 234 L HA -0.302 4.038 4.340 0.000 0.000 0.234 234 L C -0.213 176.652 176.870 -0.009 0.000 1.103 234 L CA 2.289 57.128 54.840 -0.002 0.000 0.824 234 L CB -2.858 39.201 42.059 -0.000 0.000 0.919 234 L HN 0.199 nan 8.230 nan 0.000 0.447 235 P HA -0.152 nan 4.420 nan 0.000 0.216 235 P C 1.762 179.042 177.300 -0.034 0.000 1.153 235 P CA 1.841 64.929 63.100 -0.021 0.000 0.858 235 P CB -0.048 31.639 31.700 -0.021 0.000 0.789 236 V N 0.078 119.969 119.914 -0.038 0.000 2.346 236 V HA -0.162 3.958 4.120 0.000 0.000 0.244 236 V C 2.907 178.968 176.094 -0.055 0.000 1.037 236 V CA 1.262 63.525 62.300 -0.062 0.000 1.029 236 V CB -1.316 30.471 31.823 -0.060 0.000 0.663 236 V HN -0.025 nan 8.190 nan 0.000 0.454 237 L N 0.109 121.316 121.223 -0.026 0.000 2.079 237 L HA -0.221 4.119 4.340 0.000 0.000 0.210 237 L C 2.664 179.532 176.870 -0.004 0.000 1.081 237 L CA 1.999 56.835 54.840 -0.007 0.000 0.752 237 L CB -0.521 41.543 42.059 0.008 0.000 0.896 237 L HN 0.447 nan 8.230 nan 0.000 0.433 238 E N 0.222 120.416 120.200 -0.010 0.000 2.110 238 E HA -0.253 4.097 4.350 0.000 0.000 0.193 238 E C 2.200 178.794 176.600 -0.010 0.000 0.988 238 E CA 1.178 57.575 56.400 -0.005 0.000 0.804 238 E CB 0.035 29.730 29.700 -0.008 0.000 0.745 238 E HN 0.483 nan 8.360 nan 0.000 0.458 239 A N 0.416 123.216 122.820 -0.033 0.000 1.902 239 A HA -0.124 4.196 4.320 0.000 0.000 0.217 239 A C 2.352 179.913 177.584 -0.040 0.000 1.181 239 A CA 1.383 53.388 52.037 -0.053 0.000 0.623 239 A CB -0.525 18.413 19.000 -0.104 0.000 0.818 239 A HN 0.223 nan 8.150 nan 0.000 0.443 240 V N -0.169 119.720 119.914 -0.041 0.000 2.667 240 V HA -0.160 3.961 4.120 0.000 0.000 0.252 240 V C 2.947 179.097 176.094 0.092 0.000 1.065 240 V CA 1.444 63.773 62.300 0.049 0.000 1.083 240 V CB -1.138 30.723 31.823 0.063 0.000 0.692 240 V HN 0.614 nan 8.190 nan 0.000 0.468 241 A N 0.011 122.860 122.820 0.048 0.000 1.851 241 A HA -0.178 4.142 4.320 0.000 0.000 0.216 241 A C 1.582 179.197 177.584 0.051 0.000 1.195 241 A CA 1.339 53.403 52.037 0.045 0.000 0.622 241 A CB -0.287 18.729 19.000 0.027 0.000 0.831 241 A HN 0.539 nan 8.150 nan 0.000 0.444 242 K N -2.779 117.648 120.400 0.044 0.000 2.136 242 K HA 0.401 4.721 4.320 0.000 0.000 0.237 242 K C 1.087 177.735 176.600 0.080 0.000 1.048 242 K CA 0.252 56.567 56.287 0.047 0.000 0.880 242 K CB 0.069 32.589 32.500 0.033 0.000 1.105 242 K HN 0.864 nan 8.250 nan 0.000 0.507 243 A N -0.051 122.817 122.820 0.080 0.000 4.287 243 A HA -0.207 4.113 4.320 0.000 0.000 0.258 243 A C 1.156 178.793 177.584 0.088 0.000 0.811 243 A CA 1.575 53.681 52.037 0.113 0.000 1.245 243 A CB -2.498 16.640 19.000 0.229 0.000 1.055 243 A HN 1.457 nan 8.150 nan 0.000 0.763 244 G N -0.602 108.245 108.800 0.078 0.000 2.393 244 G HA2 -0.222 3.738 3.960 0.000 0.000 0.299 244 G HA3 -0.222 3.738 3.960 0.000 0.000 0.299 244 G C -0.143 174.780 174.900 0.039 0.000 0.990 244 G CA 1.503 46.635 45.100 0.052 0.000 1.118 244 G HN 1.157 nan 8.290 nan 0.000 0.513 245 K N 0.543 120.985 120.400 0.070 0.000 2.375 245 K HA 0.523 4.843 4.320 0.000 0.000 0.249 245 K C -2.277 174.359 176.600 0.060 0.000 0.942 245 K CA -2.053 54.238 56.287 0.007 0.000 0.806 245 K CB 2.966 35.383 32.500 -0.138 0.000 1.227 245 K HN 0.094 nan 8.250 nan 0.000 0.430 246 P HA 0.145 nan 4.420 nan 0.000 0.274 246 P C -1.198 176.146 177.300 0.073 0.000 1.246 246 P CA -0.572 62.547 63.100 0.033 0.000 0.795 246 P CB 0.780 32.480 31.700 0.000 0.000 1.006 247 L N 2.145 123.408 121.223 0.066 0.000 2.385 247 L HA 0.531 4.871 4.340 0.000 0.000 0.273 247 L C -1.397 175.483 176.870 0.015 0.000 0.990 247 L CA -1.001 53.892 54.840 0.087 0.000 0.821 247 L CB 1.619 43.736 42.059 0.096 0.000 1.279 247 L HN 0.180 nan 8.230 nan 0.000 0.412 248 L N 6.094 127.335 121.223 0.031 0.000 2.287 248 L HA 0.613 4.953 4.340 0.000 0.000 0.287 248 L C -1.152 175.727 176.870 0.015 0.000 1.022 248 L CA -0.133 54.704 54.840 -0.004 0.000 0.814 248 L CB 1.011 43.085 42.059 0.025 0.000 1.217 248 L HN 0.458 nan 8.230 nan 0.000 0.420 249 I N 7.056 127.617 120.570 -0.015 0.000 2.315 249 I HA 0.292 4.462 4.170 0.000 0.000 0.291 249 I C -0.107 176.034 176.117 0.040 0.000 1.006 249 I CA -0.173 61.135 61.300 0.013 0.000 1.265 249 I CB 1.123 39.127 38.000 0.007 0.000 1.387 249 I HN 0.592 nan 8.210 nan 0.000 0.475 250 I N 6.179 126.779 120.570 0.050 0.000 2.460 250 I HA 0.481 4.652 4.170 0.000 0.000 0.277 250 I C 0.265 176.405 176.117 0.039 0.000 1.057 250 I CA -0.225 61.114 61.300 0.064 0.000 1.179 250 I CB 1.176 39.208 38.000 0.052 0.000 1.329 250 I HN 0.621 nan 8.210 nan 0.000 0.478 251 A N 4.118 126.969 122.820 0.051 0.000 2.387 251 A HA 0.450 4.771 4.320 0.000 0.000 0.298 251 A C 0.885 178.498 177.584 0.048 0.000 1.165 251 A CA -0.534 51.527 52.037 0.041 0.000 0.814 251 A CB 1.361 20.387 19.000 0.044 0.000 1.357 251 A HN 0.694 nan 8.150 nan 0.000 0.443 252 E N -0.740 119.484 120.200 0.041 0.000 2.265 252 E HA -0.082 4.268 4.350 0.000 0.000 0.196 252 E C -0.427 176.209 176.600 0.060 0.000 0.996 252 E CA 1.490 57.919 56.400 0.047 0.000 0.832 252 E CB 0.130 29.854 29.700 0.040 0.000 0.756 252 E HN 0.648 nan 8.360 nan 0.000 0.491 253 D N -2.377 118.060 120.400 0.062 0.000 3.020 253 D HA 0.031 4.671 4.640 0.000 0.000 0.268 253 D C -2.002 174.341 176.300 0.072 0.000 1.078 253 D CA -0.462 53.581 54.000 0.071 0.000 0.725 253 D CB 1.016 41.855 40.800 0.064 0.000 1.639 253 D HN -0.140 nan 8.370 nan 0.000 0.455 254 V N 2.655 122.622 119.914 0.088 0.000 2.409 254 V HA 0.416 4.537 4.120 0.000 0.000 0.290 254 V C 0.175 176.320 176.094 0.086 0.000 1.017 254 V CA -0.689 61.665 62.300 0.090 0.000 0.841 254 V CB 1.377 33.273 31.823 0.122 0.000 1.003 254 V HN 0.479 nan 8.190 nan 0.000 0.426 255 E N 2.576 122.816 120.200 0.065 0.000 2.374 255 E HA 0.312 4.662 4.350 0.000 0.000 0.260 255 E C 1.427 178.057 176.600 0.050 0.000 1.101 255 E CA 0.390 56.823 56.400 0.054 0.000 0.907 255 E CB 1.155 30.880 29.700 0.040 0.000 1.014 255 E HN 0.768 nan 8.360 nan 0.000 0.427 256 G N 1.966 110.790 108.800 0.041 0.000 2.853 256 G HA2 -0.450 3.510 3.960 0.000 0.000 0.234 256 G HA3 -0.450 3.510 3.960 0.000 0.000 0.234 256 G C 1.369 176.282 174.900 0.021 0.000 1.198 256 G CA 1.764 46.882 45.100 0.029 0.000 0.767 256 G HN 0.647 nan 8.290 nan 0.000 0.657 257 E N 0.696 120.906 120.200 0.017 0.000 2.038 257 E HA 0.001 4.352 4.350 0.000 0.000 0.195 257 E C 2.861 179.472 176.600 0.018 0.000 1.000 257 E CA 1.852 58.258 56.400 0.010 0.000 0.803 257 E CB -0.753 28.952 29.700 0.009 0.000 0.750 257 E HN 0.422 nan 8.360 nan 0.000 0.448 258 A N 0.349 123.188 122.820 0.031 0.000 1.883 258 A HA -0.196 4.125 4.320 0.000 0.000 0.217 258 A C 2.243 179.865 177.584 0.063 0.000 1.186 258 A CA 1.714 53.777 52.037 0.044 0.000 0.624 258 A CB -0.941 18.088 19.000 0.049 0.000 0.822 258 A HN 0.383 nan 8.150 nan 0.000 0.444 259 L N -0.360 120.908 121.223 0.075 0.000 2.046 259 L HA -0.091 4.250 4.340 0.000 0.000 0.208 259 L C 2.743 179.638 176.870 0.041 0.000 1.077 259 L CA 2.111 57.015 54.840 0.107 0.000 0.747 259 L CB -0.718 41.402 42.059 0.102 0.000 0.896 259 L HN 0.374 nan 8.230 nan 0.000 0.432 260 A N -1.641 121.178 122.820 -0.003 0.000 1.908 260 A HA -0.234 4.086 4.320 0.000 0.000 0.218 260 A C 2.271 179.832 177.584 -0.040 0.000 1.181 260 A CA 2.405 54.409 52.037 -0.056 0.000 0.627 260 A CB -1.233 17.736 19.000 -0.052 0.000 0.818 260 A HN 0.506 nan 8.150 nan 0.000 0.445 261 T N 0.627 115.180 114.554 -0.001 0.000 2.684 261 T HA -0.123 4.227 4.350 0.000 0.000 0.267 261 T C 1.827 176.549 174.700 0.036 0.000 1.036 261 T CA 1.531 63.638 62.100 0.010 0.000 1.148 261 T CB -0.449 68.431 68.868 0.021 0.000 0.863 261 T HN 0.379 nan 8.240 nan 0.000 0.436 262 L N 0.618 121.892 121.223 0.084 0.000 1.989 262 L HA -0.123 4.217 4.340 0.000 0.000 0.211 262 L C 2.721 179.692 176.870 0.168 0.000 1.071 262 L CA 1.088 56.021 54.840 0.155 0.000 0.749 262 L CB -0.900 41.319 42.059 0.266 0.000 0.890 262 L HN 0.139 nan 8.230 nan 0.000 0.431 263 V N -0.497 119.471 119.914 0.090 0.000 2.255 263 V HA -0.293 3.827 4.120 0.000 0.000 0.247 263 V C 2.459 178.528 176.094 -0.042 0.000 1.051 263 V CA 1.826 64.105 62.300 -0.035 0.000 1.018 263 V CB -0.388 31.265 31.823 -0.283 0.000 0.641 263 V HN 0.185 nan 8.190 nan 0.000 0.445 264 V N 0.431 120.303 119.914 -0.070 0.000 2.219 264 V HA -0.376 3.744 4.120 0.000 0.000 0.248 264 V C 2.110 178.195 176.094 -0.014 0.000 1.053 264 V CA 2.827 65.091 62.300 -0.060 0.000 1.009 264 V CB -1.076 30.713 31.823 -0.057 0.000 0.636 264 V HN 0.630 nan 8.190 nan 0.000 0.445 265 N N -0.031 118.675 118.700 0.009 0.000 2.149 265 N HA -0.191 4.549 4.740 0.000 0.000 0.188 265 N C 1.859 177.391 175.510 0.037 0.000 1.019 265 N CA 1.828 54.892 53.050 0.023 0.000 0.857 265 N CB -0.242 38.263 38.487 0.030 0.000 0.997 265 N HN 0.735 nan 8.380 nan 0.000 0.426 266 T N -1.438 113.154 114.554 0.063 0.000 2.995 266 T HA -0.033 4.317 4.350 0.000 0.000 0.269 266 T C 1.651 176.387 174.700 0.059 0.000 1.091 266 T CA 0.568 62.713 62.100 0.076 0.000 1.128 266 T CB -0.074 68.870 68.868 0.127 0.000 0.891 266 T HN 0.134 nan 8.240 nan 0.000 0.492 267 M N 0.229 119.854 119.600 0.042 0.000 2.562 267 M HA 0.241 4.721 4.480 0.000 0.000 0.257 267 M C 1.822 178.129 176.300 0.011 0.000 1.099 267 M CA 0.686 56.000 55.300 0.023 0.000 1.099 267 M CB 0.064 32.659 32.600 -0.007 0.000 1.427 267 M HN 0.132 nan 8.290 nan 0.000 0.489 268 R N -1.004 119.503 120.500 0.011 0.000 2.362 268 R HA 0.248 4.588 4.340 0.000 0.000 0.227 268 R C 1.163 177.470 176.300 0.012 0.000 0.905 268 R CA 0.555 56.658 56.100 0.006 0.000 1.067 268 R CB 0.415 30.716 30.300 0.002 0.000 1.078 268 R HN 0.534 nan 8.270 nan 0.000 0.516 269 G N 1.455 110.266 108.800 0.019 0.000 2.268 269 G HA2 -0.275 3.685 3.960 0.000 0.000 0.240 269 G HA3 -0.275 3.685 3.960 0.000 0.000 0.240 269 G C 0.269 175.183 174.900 0.023 0.000 1.010 269 G CA -0.326 44.787 45.100 0.020 0.000 0.618 269 G HN 0.232 nan 8.290 nan 0.000 0.516 270 I N 2.152 122.736 120.570 0.023 0.000 2.347 270 I HA 0.427 4.597 4.170 0.000 0.000 0.294 270 I C 0.766 176.903 176.117 0.033 0.000 1.090 270 I CA -0.511 60.803 61.300 0.025 0.000 1.314 270 I CB 0.838 38.850 38.000 0.019 0.000 1.423 270 I HN 0.202 nan 8.210 nan 0.000 0.503 271 V N 5.326 125.262 119.914 0.037 0.000 3.480 271 V HA -0.227 3.894 4.120 0.000 0.000 0.494 271 V C 0.116 176.241 176.094 0.051 0.000 0.682 271 V CA 0.381 62.708 62.300 0.046 0.000 2.039 271 V CB -1.035 30.814 31.823 0.043 0.000 2.474 271 V HN 0.812 nan 8.190 nan 0.000 0.505 272 K N 3.969 124.399 120.400 0.050 0.000 2.253 272 K HA 0.718 5.038 4.320 0.000 0.000 0.277 272 K C -0.391 176.229 176.600 0.033 0.000 1.053 272 K CA -0.527 55.789 56.287 0.049 0.000 0.892 272 K CB 1.872 34.395 32.500 0.038 0.000 1.102 272 K HN 0.509 nan 8.250 nan 0.000 0.469 273 V N 1.271 121.201 119.914 0.026 0.000 3.001 273 V HA 0.806 4.926 4.120 0.000 0.000 0.314 273 V C -0.860 175.069 176.094 -0.274 0.000 1.099 273 V CA -1.021 61.248 62.300 -0.052 0.000 0.989 273 V CB 1.946 33.773 31.823 0.005 0.000 1.040 273 V HN 0.857 nan 8.190 nan 0.000 0.434 274 A N 1.775 124.312 122.820 -0.471 0.000 2.517 274 A HA 0.971 5.291 4.320 0.000 0.000 0.297 274 A C -0.769 176.455 177.584 -0.600 0.000 1.050 274 A CA -0.019 51.412 52.037 -1.009 0.000 0.694 274 A CB 1.743 20.421 19.000 -0.537 0.000 1.277 274 A HN 1.723 nan 8.150 nan 0.000 0.400 275 A N 0.856 123.306 122.820 -0.618 0.000 2.413 275 A HA 0.959 5.279 4.320 0.000 0.000 0.307 275 A C -0.404 177.208 177.584 0.045 0.000 1.087 275 A CA -0.115 51.852 52.037 -0.117 0.000 0.750 275 A CB 1.573 20.593 19.000 0.033 0.000 1.296 275 A HN 2.405 nan 8.150 nan 0.000 0.423 276 V N -1.338 118.633 119.914 0.094 0.000 3.120 276 V HA 0.597 4.717 4.120 0.000 0.000 0.303 276 V C -0.684 175.504 176.094 0.156 0.000 1.238 276 V CA -1.239 61.146 62.300 0.142 0.000 1.008 276 V CB 1.413 33.318 31.823 0.137 0.000 1.064 276 V HN 0.909 nan 8.190 nan 0.000 0.434 277 K N 1.919 122.412 120.400 0.155 0.000 2.319 277 K HA 0.643 4.963 4.320 0.000 0.000 0.265 277 K C 0.490 177.185 176.600 0.158 0.000 1.000 277 K CA 0.362 56.731 56.287 0.137 0.000 0.943 277 K CB 1.072 33.644 32.500 0.119 0.000 0.950 277 K HN 1.168 nan 8.250 nan 0.000 0.485 278 A N 3.762 126.634 122.820 0.086 0.000 2.407 278 A HA 0.215 4.535 4.320 0.000 0.000 0.248 278 A C -2.029 175.569 177.584 0.023 0.000 1.082 278 A CA -1.175 50.866 52.037 0.007 0.000 0.785 278 A CB -0.335 18.651 19.000 -0.023 0.000 1.020 278 A HN 0.473 nan 8.150 nan 0.000 0.489 279 P HA 0.329 nan 4.420 nan 0.000 0.269 279 P C 0.719 178.038 177.300 0.031 0.000 1.209 279 P CA 1.433 64.535 63.100 0.004 0.000 0.776 279 P CB 0.499 32.080 31.700 -0.198 0.000 0.876 280 G N 2.057 110.927 108.800 0.116 0.000 2.749 280 G HA2 -0.096 3.864 3.960 0.000 0.000 0.242 280 G HA3 -0.096 3.864 3.960 0.000 0.000 0.242 280 G C -0.670 174.372 174.900 0.238 0.000 1.364 280 G CA 0.149 45.347 45.100 0.164 0.000 0.888 280 G HN 0.757 nan 8.290 nan 0.000 0.566 281 F N -2.612 117.353 119.950 0.025 0.000 2.692 281 F HA 0.839 5.366 4.527 -0.000 0.000 0.320 281 F C 1.111 176.925 175.800 0.024 0.000 1.123 281 F CA 0.194 58.209 58.000 0.024 0.000 0.961 281 F CB 0.836 39.854 39.000 0.031 0.000 1.383 281 F HN 2.429 nan 8.300 nan 0.000 0.483 282 G N 1.094 109.859 108.800 -0.058 0.000 2.583 282 G HA2 -0.299 3.662 3.960 0.000 0.000 0.292 282 G HA3 -0.299 3.662 3.960 0.000 0.000 0.292 282 G C 0.289 175.099 174.900 -0.151 0.000 1.203 282 G CA 0.695 45.699 45.100 -0.161 0.000 0.987 282 G HN 0.853 nan 8.290 nan 0.000 0.554 283 D N 1.032 121.324 120.400 -0.180 0.000 2.183 283 D HA -0.021 4.619 4.640 0.000 0.000 0.205 283 D C 2.483 178.703 176.300 -0.134 0.000 0.962 283 D CA 1.256 55.184 54.000 -0.119 0.000 0.849 283 D CB -0.214 40.533 40.800 -0.089 0.000 0.978 283 D HN 0.692 nan 8.370 nan 0.000 0.488 284 R N 1.182 121.567 120.500 -0.192 0.000 2.341 284 R HA 0.005 4.345 4.340 0.000 0.000 0.213 284 R C 1.998 178.217 176.300 -0.136 0.000 1.082 284 R CA 0.655 56.657 56.100 -0.163 0.000 1.017 284 R CB -0.235 29.950 30.300 -0.191 0.000 0.860 284 R HN 0.067 nan 8.270 nan 0.000 0.473 285 R N 1.661 122.082 120.500 -0.131 0.000 2.066 285 R HA 0.013 4.353 4.340 0.000 0.000 0.224 285 R C 1.438 177.692 176.300 -0.076 0.000 1.122 285 R CA 1.030 57.080 56.100 -0.084 0.000 0.974 285 R CB 0.046 30.321 30.300 -0.041 0.000 0.871 285 R HN 0.188 nan 8.270 nan 0.000 0.435 286 K N 0.302 120.662 120.400 -0.067 0.000 2.152 286 K HA -0.091 4.229 4.320 0.000 0.000 0.206 286 K C 2.044 178.607 176.600 -0.062 0.000 1.048 286 K CA 1.407 57.661 56.287 -0.055 0.000 0.933 286 K CB -0.084 32.390 32.500 -0.044 0.000 0.721 286 K HN 0.223 nan 8.250 nan 0.000 0.447 287 A N 1.373 124.151 122.820 -0.071 0.000 1.855 287 A HA -0.128 4.192 4.320 0.000 0.000 0.215 287 A C 2.147 179.684 177.584 -0.078 0.000 1.191 287 A CA 1.335 53.330 52.037 -0.069 0.000 0.613 287 A CB -0.423 18.533 19.000 -0.072 0.000 0.829 287 A HN 0.145 nan 8.150 nan 0.000 0.442 288 M N -0.709 118.834 119.600 -0.095 0.000 2.159 288 M HA -0.079 4.401 4.480 0.000 0.000 0.263 288 M C 2.195 178.409 176.300 -0.143 0.000 1.063 288 M CA 1.186 56.415 55.300 -0.118 0.000 1.110 288 M CB -0.440 32.078 32.600 -0.136 0.000 1.374 288 M HN 0.419 nan 8.290 nan 0.000 0.411 289 L N 0.089 121.234 121.223 -0.129 0.000 2.083 289 L HA -0.264 4.077 4.340 0.000 0.000 0.209 289 L C 2.649 179.463 176.870 -0.092 0.000 1.083 289 L CA 1.411 56.176 54.840 -0.125 0.000 0.752 289 L CB -0.256 41.750 42.059 -0.088 0.000 0.899 289 L HN 0.332 nan 8.230 nan 0.000 0.433 290 Q N 0.123 119.880 119.800 -0.073 0.000 2.083 290 Q HA -0.208 4.132 4.340 0.000 0.000 0.198 290 Q C 1.676 177.645 176.000 -0.052 0.000 0.969 290 Q CA 1.879 57.650 55.803 -0.053 0.000 0.838 290 Q CB -0.141 28.570 28.738 -0.044 0.000 0.900 290 Q HN 0.407 nan 8.270 nan 0.000 0.436 291 D N 0.110 120.473 120.400 -0.061 0.000 2.116 291 D HA -0.195 4.445 4.640 0.000 0.000 0.193 291 D C 1.888 178.160 176.300 -0.047 0.000 0.998 291 D CA 1.652 55.621 54.000 -0.052 0.000 0.836 291 D CB -0.322 40.443 40.800 -0.058 0.000 0.951 291 D HN 0.390 nan 8.370 nan 0.000 0.449 292 I N 1.071 121.597 120.570 -0.073 0.000 2.264 292 I HA -0.277 3.894 4.170 0.000 0.000 0.248 292 I C 2.499 178.600 176.117 -0.027 0.000 1.111 292 I CA 1.034 62.300 61.300 -0.058 0.000 1.382 292 I CB -0.325 37.606 38.000 -0.115 0.000 1.060 292 I HN -0.064 nan 8.210 nan 0.000 0.418 293 A N 0.733 123.534 122.820 -0.032 0.000 1.858 293 A HA -0.211 4.109 4.320 0.000 0.000 0.216 293 A C 2.415 179.995 177.584 -0.006 0.000 1.190 293 A CA 2.573 54.602 52.037 -0.014 0.000 0.617 293 A CB -1.181 17.807 19.000 -0.020 0.000 0.827 293 A HN 0.377 nan 8.150 nan 0.000 0.443 294 T N 0.402 114.948 114.554 -0.012 0.000 2.788 294 T HA -0.107 4.243 4.350 0.000 0.000 0.268 294 T C 1.810 176.510 174.700 -0.001 0.000 1.044 294 T CA 1.248 63.344 62.100 -0.007 0.000 1.139 294 T CB -0.279 68.582 68.868 -0.012 0.000 0.867 294 T HN 0.292 nan 8.240 nan 0.000 0.454 295 L N 1.973 123.195 121.223 -0.001 0.000 2.141 295 L HA -0.037 4.303 4.340 0.000 0.000 0.209 295 L C 2.184 179.062 176.870 0.014 0.000 1.094 295 L CA 2.128 56.972 54.840 0.006 0.000 0.763 295 L CB -1.190 40.874 42.059 0.008 0.000 0.908 295 L HN 0.444 nan 8.230 nan 0.000 0.437 296 T N -4.451 110.114 114.554 0.018 0.000 3.054 296 T HA 0.286 4.636 4.350 0.000 0.000 0.255 296 T C 1.244 175.963 174.700 0.032 0.000 1.035 296 T CA 0.348 62.465 62.100 0.028 0.000 0.941 296 T CB 0.094 68.985 68.868 0.039 0.000 1.026 296 T HN 0.490 nan 8.240 nan 0.000 0.533 297 G N 0.560 109.373 108.800 0.023 0.000 2.198 297 G HA2 -0.009 3.951 3.960 0.000 0.000 0.260 297 G HA3 -0.009 3.951 3.960 0.000 0.000 0.260 297 G C 0.355 175.273 174.900 0.030 0.000 1.025 297 G CA -0.151 44.964 45.100 0.025 0.000 0.769 297 G HN 1.046 nan 8.290 nan 0.000 0.507 298 G N -1.687 107.129 108.800 0.026 0.000 2.552 298 G HA2 0.737 4.697 3.960 0.000 0.000 0.324 298 G HA3 0.737 4.697 3.960 0.000 0.000 0.324 298 G C -0.403 174.502 174.900 0.007 0.000 1.217 298 G CA 0.159 45.274 45.100 0.025 0.000 0.989 298 G HN 0.605 nan 8.290 nan 0.000 0.490 299 T N 0.442 114.996 114.554 0.001 0.000 2.786 299 T HA 0.407 4.757 4.350 0.000 0.000 0.283 299 T C 0.137 174.831 174.700 -0.011 0.000 0.992 299 T CA -0.277 61.819 62.100 -0.007 0.000 0.954 299 T CB 1.568 70.430 68.868 -0.010 0.000 0.934 299 T HN 0.343 nan 8.240 nan 0.000 0.440 300 V N 4.763 124.668 119.914 -0.014 0.000 2.655 300 V HA 0.198 4.319 4.120 0.000 0.000 0.300 300 V C 0.396 176.481 176.094 -0.015 0.000 1.044 300 V CA -0.071 62.219 62.300 -0.017 0.000 1.095 300 V CB 0.261 32.071 31.823 -0.023 0.000 0.952 300 V HN 0.773 nan 8.190 nan 0.000 0.485 301 I N 5.193 125.755 120.570 -0.013 0.000 2.347 301 I HA 0.284 4.455 4.170 0.000 0.000 0.283 301 I C 0.255 176.367 176.117 -0.009 0.000 1.058 301 I CA 0.077 61.370 61.300 -0.011 0.000 1.202 301 I CB 0.976 38.969 38.000 -0.012 0.000 1.386 301 I HN 0.725 nan 8.210 nan 0.000 0.475 302 S N 3.037 118.731 115.700 -0.009 0.000 2.501 302 S HA 0.408 4.879 4.470 0.000 0.000 0.301 302 S C 0.587 175.184 174.600 -0.005 0.000 1.096 302 S CA -0.834 57.362 58.200 -0.007 0.000 1.063 302 S CB 2.217 65.411 63.200 -0.009 0.000 1.042 302 S HN 0.561 nan 8.310 nan 0.000 0.494 303 E N 1.512 121.711 120.200 -0.002 0.000 2.150 303 E HA -0.145 4.205 4.350 0.000 0.000 0.193 303 E C 1.471 178.070 176.600 -0.001 0.000 0.985 303 E CA 1.068 57.468 56.400 -0.001 0.000 0.814 303 E CB -0.071 29.630 29.700 0.002 0.000 0.752 303 E HN 0.800 nan 8.360 nan 0.000 0.466 304 E N 0.943 121.142 120.200 -0.002 0.000 2.048 304 E HA -0.221 4.129 4.350 0.000 0.000 0.202 304 E C 2.025 178.623 176.600 -0.003 0.000 1.021 304 E CA 1.192 57.591 56.400 -0.002 0.000 0.825 304 E CB -0.252 29.446 29.700 -0.003 0.000 0.756 304 E HN 0.303 nan 8.360 nan 0.000 0.454 305 I N -0.008 120.559 120.570 -0.005 0.000 3.083 305 I HA -0.080 4.090 4.170 0.000 0.000 0.273 305 I C 1.345 177.459 176.117 -0.005 0.000 1.297 305 I CA 0.739 62.035 61.300 -0.006 0.000 1.452 305 I CB -0.350 37.646 38.000 -0.007 0.000 1.078 305 I HN 0.347 nan 8.210 nan 0.000 0.484 306 G N 1.083 109.880 108.800 -0.004 0.000 2.130 306 G HA2 -0.251 3.710 3.960 0.000 0.000 0.216 306 G HA3 -0.251 3.710 3.960 0.000 0.000 0.216 306 G C 0.207 175.104 174.900 -0.005 0.000 0.999 306 G CA -0.353 44.744 45.100 -0.004 0.000 0.686 306 G HN 0.243 nan 8.290 nan 0.000 0.515 307 M N 0.229 119.825 119.600 -0.006 0.000 2.255 307 M HA 0.522 5.002 4.480 0.000 0.000 0.336 307 M C 0.414 176.710 176.300 -0.007 0.000 1.135 307 M CA 0.216 55.512 55.300 -0.007 0.000 1.145 307 M CB 0.869 33.463 32.600 -0.009 0.000 1.473 307 M HN 0.242 nan 8.290 nan 0.000 0.462 308 E N 1.324 121.519 120.200 -0.008 0.000 2.256 308 E HA 0.302 4.652 4.350 0.000 0.000 0.267 308 E C 0.151 176.745 176.600 -0.010 0.000 0.892 308 E CA -0.552 55.843 56.400 -0.007 0.000 0.775 308 E CB 2.248 31.944 29.700 -0.007 0.000 1.207 308 E HN 0.637 nan 8.360 nan 0.000 0.420 309 L N 1.463 122.681 121.223 -0.008 0.000 2.093 309 L HA -0.174 4.166 4.340 0.000 0.000 0.208 309 L C 1.666 178.527 176.870 -0.015 0.000 1.085 309 L CA 1.270 56.103 54.840 -0.011 0.000 0.755 309 L CB -0.197 41.859 42.059 -0.006 0.000 0.904 309 L HN 0.568 nan 8.230 nan 0.000 0.435 310 E N 0.385 120.578 120.200 -0.012 0.000 2.160 310 E HA -0.189 4.161 4.350 0.000 0.000 0.195 310 E C 1.435 178.024 176.600 -0.018 0.000 0.991 310 E CA 1.018 57.410 56.400 -0.014 0.000 0.810 310 E CB -0.048 29.647 29.700 -0.009 0.000 0.742 310 E HN 0.348 nan 8.360 nan 0.000 0.466 311 K N 0.205 120.594 120.400 -0.018 0.000 2.446 311 K HA 0.325 4.645 4.320 0.000 0.000 0.203 311 K C -0.179 176.405 176.600 -0.027 0.000 1.027 311 K CA -0.069 56.206 56.287 -0.020 0.000 1.166 311 K CB 0.876 33.366 32.500 -0.016 0.000 0.869 311 K HN -0.001 nan 8.250 nan 0.000 0.504 312 A N 1.900 124.700 122.820 -0.033 0.000 2.301 312 A HA 0.299 4.619 4.320 0.000 0.000 0.298 312 A C 0.423 177.969 177.584 -0.063 0.000 1.185 312 A CA -0.401 51.610 52.037 -0.044 0.000 0.830 312 A CB 0.337 19.311 19.000 -0.043 0.000 1.112 312 A HN 0.241 nan 8.150 nan 0.000 0.508 313 T N 0.097 114.608 114.554 -0.072 0.000 2.948 313 T HA 0.512 4.862 4.350 0.000 0.000 0.285 313 T C 1.154 175.764 174.700 -0.149 0.000 1.019 313 T CA -0.758 61.285 62.100 -0.095 0.000 1.013 313 T CB 0.574 69.400 68.868 -0.070 0.000 1.117 313 T HN 0.353 nan 8.240 nan 0.000 0.533 314 L N -0.006 121.091 121.223 -0.211 0.000 2.129 314 L HA -0.101 4.239 4.340 0.000 0.000 0.212 314 L C 2.878 179.615 176.870 -0.221 0.000 1.087 314 L CA 1.738 56.355 54.840 -0.372 0.000 0.757 314 L CB -0.564 41.248 42.059 -0.412 0.000 0.896 314 L HN 0.873 nan 8.230 nan 0.000 0.434 315 E N -0.050 120.086 120.200 -0.106 0.000 2.338 315 E HA -0.209 4.141 4.350 0.000 0.000 0.197 315 E C 1.335 177.917 176.600 -0.030 0.000 1.007 315 E CA 0.829 57.205 56.400 -0.039 0.000 0.849 315 E CB 0.192 29.878 29.700 -0.023 0.000 0.774 315 E HN 0.478 nan 8.360 nan 0.000 0.506 316 D N -0.139 120.229 120.400 -0.055 0.000 2.289 316 D HA -0.035 4.605 4.640 0.000 0.000 0.207 316 D C 0.060 176.344 176.300 -0.026 0.000 0.966 316 D CA 0.224 54.203 54.000 -0.036 0.000 0.868 316 D CB 0.259 41.033 40.800 -0.043 0.000 0.943 316 D HN 0.120 nan 8.370 nan 0.000 0.514 317 L N 1.011 122.204 121.223 -0.050 0.000 2.426 317 L HA 0.268 4.608 4.340 0.000 0.000 0.271 317 L C 1.505 178.434 176.870 0.097 0.000 1.169 317 L CA 0.013 54.853 54.840 -0.001 0.000 0.836 317 L CB 0.707 42.706 42.059 -0.100 0.000 1.112 317 L HN -0.155 nan 8.230 nan 0.000 0.465 318 G N 1.491 110.357 108.800 0.110 0.000 2.516 318 G HA2 0.462 4.422 3.960 0.000 0.000 0.276 318 G HA3 0.462 4.422 3.960 0.000 0.000 0.276 318 G C -0.847 174.153 174.900 0.168 0.000 1.390 318 G CA -0.153 45.013 45.100 0.109 0.000 1.050 318 G HN 0.573 nan 8.290 nan 0.000 0.519 319 Q N -2.582 117.276 119.800 0.097 0.000 2.545 319 Q HA 0.540 4.880 4.340 0.000 0.000 0.273 319 Q C -1.305 174.701 176.000 0.009 0.000 0.975 319 Q CA -0.510 55.321 55.803 0.048 0.000 0.876 319 Q CB 1.955 30.717 28.738 0.040 0.000 1.472 319 Q HN 1.123 nan 8.270 nan 0.000 0.389 320 A N 1.911 124.716 122.820 -0.025 0.000 2.612 320 A HA 0.463 4.783 4.320 0.000 0.000 0.293 320 A C -0.789 176.769 177.584 -0.043 0.000 1.075 320 A CA -0.631 51.395 52.037 -0.019 0.000 0.680 320 A CB 1.523 20.526 19.000 0.005 0.000 1.279 320 A HN 0.762 nan 8.150 nan 0.000 0.411 321 K N -0.474 119.906 120.400 -0.033 0.000 2.296 321 K HA 0.059 4.379 4.320 0.000 0.000 0.200 321 K C 0.613 177.192 176.600 -0.036 0.000 1.048 321 K CA 1.137 57.399 56.287 -0.041 0.000 0.966 321 K CB 0.193 32.675 32.500 -0.030 0.000 0.754 321 K HN 0.530 nan 8.250 nan 0.000 0.466 322 R N 0.115 120.600 120.500 -0.024 0.000 2.633 322 R HA 0.136 4.476 4.340 0.000 0.000 0.255 322 R C -1.964 174.331 176.300 -0.009 0.000 1.106 322 R CA -0.534 55.555 56.100 -0.019 0.000 0.959 322 R CB 1.558 31.848 30.300 -0.016 0.000 1.259 322 R HN -0.045 nan 8.270 nan 0.000 0.453 323 V N 0.861 120.770 119.914 -0.008 0.000 2.735 323 V HA 0.870 4.990 4.120 0.000 0.000 0.310 323 V C -1.291 174.797 176.094 -0.010 0.000 1.061 323 V CA -0.606 61.692 62.300 -0.005 0.000 0.913 323 V CB 2.153 33.979 31.823 0.005 0.000 1.005 323 V HN 0.432 nan 8.190 nan 0.000 0.428 324 V N 5.790 125.691 119.914 -0.021 0.000 2.483 324 V HA 0.554 4.675 4.120 0.000 0.000 0.297 324 V C -0.302 175.771 176.094 -0.035 0.000 1.027 324 V CA -0.280 62.012 62.300 -0.015 0.000 0.855 324 V CB 1.584 33.400 31.823 -0.012 0.000 0.995 324 V HN 0.863 nan 8.190 nan 0.000 0.424 325 I N 4.536 125.109 120.570 0.005 0.000 2.404 325 I HA 0.503 4.673 4.170 0.000 0.000 0.293 325 I C 0.097 176.251 176.117 0.061 0.000 0.992 325 I CA -0.393 60.911 61.300 0.006 0.000 1.149 325 I CB 1.725 39.768 38.000 0.071 0.000 1.315 325 I HN 0.510 nan 8.210 nan 0.000 0.446 326 N N 3.773 122.432 118.700 -0.070 0.000 2.725 326 N HA 0.235 4.976 4.740 0.000 0.000 0.312 326 N C 0.768 175.996 175.510 -0.469 0.000 1.295 326 N CA -0.541 52.444 53.050 -0.108 0.000 0.914 326 N CB 1.366 39.783 38.487 -0.116 0.000 1.177 326 N HN 0.542 nan 8.380 nan 0.000 0.601 327 K N -0.109 120.053 120.400 -0.396 0.000 2.209 327 K HA -0.136 4.184 4.320 0.000 0.000 0.204 327 K C -0.639 175.636 176.600 -0.542 0.000 1.048 327 K CA 1.811 57.731 56.287 -0.613 0.000 0.940 327 K CB 0.014 32.410 32.500 -0.174 0.000 0.729 327 K HN 0.614 nan 8.250 nan 0.000 0.451 328 D N -1.424 118.770 120.400 -0.344 0.000 3.120 328 D HA 0.108 4.748 4.640 0.000 0.000 0.331 328 D C -0.865 175.325 176.300 -0.183 0.000 1.595 328 D CA -0.497 53.363 54.000 -0.232 0.000 0.771 328 D CB 0.501 41.214 40.800 -0.145 0.000 1.274 328 D HN -0.115 nan 8.370 nan 0.000 0.503 329 T N -0.441 113.979 114.554 -0.223 0.000 3.012 329 T HA 0.629 4.979 4.350 0.000 0.000 0.330 329 T C -1.469 173.046 174.700 -0.309 0.000 1.321 329 T CA -0.328 61.634 62.100 -0.230 0.000 1.067 329 T CB 2.028 70.808 68.868 -0.147 0.000 1.235 329 T HN -0.027 nan 8.240 nan 0.000 0.479 330 T N 2.047 116.288 114.554 -0.522 0.000 2.881 330 T HA 0.656 5.007 4.350 0.000 0.000 0.290 330 T C -0.847 173.545 174.700 -0.515 0.000 1.000 330 T CA -0.558 61.188 62.100 -0.590 0.000 0.978 330 T CB 1.679 69.962 68.868 -0.976 0.000 0.997 330 T HN 0.606 nan 8.240 nan 0.000 0.443 331 T N 3.535 117.952 114.554 -0.229 0.000 2.881 331 T HA 0.638 4.988 4.350 0.000 0.000 0.291 331 T C -0.729 173.960 174.700 -0.019 0.000 0.990 331 T CA -0.657 61.385 62.100 -0.096 0.000 0.976 331 T CB 0.186 69.015 68.868 -0.064 0.000 0.970 331 T HN 0.491 nan 8.240 nan 0.000 0.438 332 I N 6.250 126.847 120.570 0.046 0.000 2.315 332 I HA 0.426 4.596 4.170 0.000 0.000 0.291 332 I C -0.192 175.946 176.117 0.035 0.000 1.006 332 I CA -0.749 60.587 61.300 0.059 0.000 1.265 332 I CB 1.178 39.244 38.000 0.110 0.000 1.387 332 I HN 0.559 nan 8.210 nan 0.000 0.475 333 I N 5.946 126.526 120.570 0.017 0.000 2.362 333 I HA 0.263 4.434 4.170 0.000 0.000 0.289 333 I C -0.431 175.688 176.117 0.003 0.000 0.994 333 I CA -0.418 60.886 61.300 0.007 0.000 1.158 333 I CB 1.192 39.191 38.000 -0.002 0.000 1.315 333 I HN 0.561 nan 8.210 nan 0.000 0.451 334 D N 5.001 125.403 120.400 0.004 0.000 3.241 334 D HA -0.108 4.532 4.640 0.000 0.000 0.248 334 D C 0.180 176.481 176.300 0.002 0.000 1.093 334 D CA 0.803 54.803 54.000 0.000 0.000 0.940 334 D CB -0.264 40.532 40.800 -0.007 0.000 0.980 334 D HN 0.840 nan 8.370 nan 0.000 0.421 335 G N 0.218 109.024 108.800 0.009 0.000 2.483 335 G HA2 0.368 4.328 3.960 0.000 0.000 0.248 335 G HA3 0.368 4.328 3.960 0.000 0.000 0.248 335 G C 1.454 176.359 174.900 0.008 0.000 1.248 335 G CA -0.274 44.833 45.100 0.012 0.000 0.838 335 G HN 0.269 nan 8.290 nan 0.000 0.566 336 V N 2.495 122.415 119.914 0.009 0.000 2.809 336 V HA 0.024 4.145 4.120 0.000 0.000 0.256 336 V C 2.252 178.353 176.094 0.012 0.000 1.080 336 V CA 0.946 63.252 62.300 0.009 0.000 1.102 336 V CB -1.187 30.644 31.823 0.014 0.000 0.705 336 V HN 0.890 nan 8.190 nan 0.000 0.475 337 G N 1.361 110.170 108.800 0.014 0.000 2.238 337 G HA2 -0.064 3.896 3.960 0.000 0.000 0.234 337 G HA3 -0.064 3.896 3.960 0.000 0.000 0.234 337 G C -0.003 174.901 174.900 0.008 0.000 1.181 337 G CA -0.116 44.991 45.100 0.011 0.000 0.871 337 G HN 0.322 nan 8.290 nan 0.000 0.490 338 E N 1.595 121.799 120.200 0.007 0.000 2.376 338 E HA 0.015 4.365 4.350 0.000 0.000 0.266 338 E C 1.430 178.031 176.600 0.002 0.000 1.009 338 E CA -0.228 56.174 56.400 0.004 0.000 0.902 338 E CB 0.955 30.657 29.700 0.004 0.000 0.972 338 E HN 0.624 nan 8.360 nan 0.000 0.439 339 E N 1.996 122.197 120.200 0.001 0.000 2.209 339 E HA -0.220 4.130 4.350 0.000 0.000 0.196 339 E C 1.557 178.156 176.600 -0.001 0.000 0.993 339 E CA 1.154 57.554 56.400 0.000 0.000 0.819 339 E CB 0.124 29.824 29.700 -0.000 0.000 0.745 339 E HN 0.543 nan 8.360 nan 0.000 0.477 340 A N 1.441 124.260 122.820 -0.001 0.000 1.877 340 A HA -0.081 4.240 4.320 0.000 0.000 0.216 340 A C 2.411 179.994 177.584 -0.002 0.000 1.186 340 A CA 1.847 53.883 52.037 -0.001 0.000 0.620 340 A CB -0.492 18.508 19.000 -0.001 0.000 0.822 340 A HN 0.284 nan 8.150 nan 0.000 0.443 341 A N -0.206 122.613 122.820 -0.002 0.000 1.897 341 A HA 0.004 4.324 4.320 0.000 0.000 0.215 341 A C 2.142 179.723 177.584 -0.004 0.000 1.181 341 A CA 1.374 53.409 52.037 -0.003 0.000 0.620 341 A CB -0.569 18.430 19.000 -0.002 0.000 0.821 341 A HN 0.479 nan 8.150 nan 0.000 0.443 342 I N -0.924 119.644 120.570 -0.003 0.000 2.113 342 I HA -0.274 3.896 4.170 0.000 0.000 0.238 342 I C 2.775 178.889 176.117 -0.005 0.000 1.070 342 I CA 1.819 63.117 61.300 -0.004 0.000 1.332 342 I CB -0.373 37.626 38.000 -0.001 0.000 1.044 342 I HN 0.326 nan 8.210 nan 0.000 0.402 343 Q N 1.266 121.063 119.800 -0.004 0.000 2.181 343 Q HA -0.143 4.198 4.340 0.000 0.000 0.205 343 Q C 2.021 178.018 176.000 -0.006 0.000 0.980 343 Q CA 2.020 57.820 55.803 -0.005 0.000 0.862 343 Q CB -0.751 27.985 28.738 -0.004 0.000 0.905 343 Q HN 0.523 nan 8.270 nan 0.000 0.429 344 G N -0.301 108.496 108.800 -0.006 0.000 2.402 344 G HA2 -0.285 3.675 3.960 0.000 0.000 0.216 344 G HA3 -0.285 3.675 3.960 0.000 0.000 0.216 344 G C 1.550 176.445 174.900 -0.009 0.000 1.162 344 G CA 0.754 45.849 45.100 -0.007 0.000 0.777 344 G HN 0.354 nan 8.290 nan 0.000 0.539 345 R N 0.386 120.879 120.500 -0.010 0.000 2.091 345 R HA -0.037 4.303 4.340 0.000 0.000 0.238 345 R C 2.511 178.802 176.300 -0.015 0.000 1.136 345 R CA 1.601 57.693 56.100 -0.014 0.000 0.959 345 R CB -0.887 29.404 30.300 -0.015 0.000 0.856 345 R HN 0.202 nan 8.270 nan 0.000 0.437 346 V N 0.884 120.791 119.914 -0.013 0.000 2.407 346 V HA -0.226 3.894 4.120 0.000 0.000 0.248 346 V C 2.387 178.473 176.094 -0.013 0.000 1.055 346 V CA 1.893 64.184 62.300 -0.013 0.000 1.049 346 V CB -1.007 30.810 31.823 -0.010 0.000 0.662 346 V HN 0.567 nan 8.190 nan 0.000 0.455 347 A N -0.548 122.265 122.820 -0.011 0.000 1.883 347 A HA -0.308 4.012 4.320 0.000 0.000 0.217 347 A C 2.186 179.762 177.584 -0.013 0.000 1.186 347 A CA 2.061 54.091 52.037 -0.011 0.000 0.624 347 A CB -0.527 18.468 19.000 -0.009 0.000 0.822 347 A HN 0.628 nan 8.150 nan 0.000 0.444 348 Q N -0.529 119.263 119.800 -0.014 0.000 2.096 348 Q HA -0.141 4.199 4.340 0.000 0.000 0.204 348 Q C 2.016 178.004 176.000 -0.019 0.000 0.982 348 Q CA 1.664 57.457 55.803 -0.016 0.000 0.850 348 Q CB -0.384 28.344 28.738 -0.017 0.000 0.901 348 Q HN 0.772 nan 8.270 nan 0.000 0.422 349 I N 0.019 120.576 120.570 -0.021 0.000 2.439 349 I HA -0.208 3.962 4.170 0.000 0.000 0.251 349 I C 2.239 178.341 176.117 -0.024 0.000 1.139 349 I CA 0.865 62.149 61.300 -0.026 0.000 1.438 349 I CB -0.190 37.792 38.000 -0.029 0.000 1.085 349 I HN 0.096 nan 8.210 nan 0.000 0.427 350 R N 0.368 120.856 120.500 -0.019 0.000 2.189 350 R HA -0.102 4.238 4.340 0.000 0.000 0.218 350 R C 2.241 178.532 176.300 -0.015 0.000 1.074 350 R CA 0.896 56.986 56.100 -0.017 0.000 0.991 350 R CB -0.024 30.268 30.300 -0.013 0.000 0.883 350 R HN 0.466 nan 8.270 nan 0.000 0.457 351 Q N -0.327 119.464 119.800 -0.015 0.000 2.187 351 Q HA -0.088 4.252 4.340 0.000 0.000 0.199 351 Q C 1.927 177.918 176.000 -0.014 0.000 0.957 351 Q CA 0.706 56.501 55.803 -0.013 0.000 0.857 351 Q CB 0.277 29.008 28.738 -0.012 0.000 0.929 351 Q HN 0.342 nan 8.270 nan 0.000 0.453 352 Q N 0.581 120.370 119.800 -0.018 0.000 2.096 352 Q HA -0.169 4.172 4.340 0.000 0.000 0.204 352 Q C 2.103 178.090 176.000 -0.021 0.000 0.982 352 Q CA 1.184 56.974 55.803 -0.021 0.000 0.850 352 Q CB -0.281 28.440 28.738 -0.029 0.000 0.901 352 Q HN 0.484 nan 8.270 nan 0.000 0.422 353 I N 1.078 121.635 120.570 -0.022 0.000 2.454 353 I HA -0.237 3.934 4.170 0.000 0.000 0.254 353 I C 2.146 178.255 176.117 -0.014 0.000 1.156 353 I CA 0.884 62.171 61.300 -0.021 0.000 1.433 353 I CB -0.254 37.733 38.000 -0.022 0.000 1.082 353 I HN 0.146 nan 8.210 nan 0.000 0.432 354 E N 1.253 121.446 120.200 -0.012 0.000 2.016 354 E HA -0.166 4.184 4.350 0.000 0.000 0.190 354 E C 1.799 178.395 176.600 -0.006 0.000 0.985 354 E CA 1.108 57.503 56.400 -0.008 0.000 0.802 354 E CB -0.412 29.284 29.700 -0.007 0.000 0.762 354 E HN 0.562 nan 8.360 nan 0.000 0.448 355 E N 1.236 121.432 120.200 -0.007 0.000 2.515 355 E HA 0.072 4.422 4.350 0.000 0.000 0.201 355 E C 0.245 176.842 176.600 -0.004 0.000 1.071 355 E CA 0.048 56.445 56.400 -0.005 0.000 0.880 355 E CB -0.027 29.669 29.700 -0.007 0.000 0.828 355 E HN 0.087 nan 8.360 nan 0.000 0.540 356 A N 1.764 124.581 122.820 -0.006 0.000 2.491 356 A HA 0.070 4.390 4.320 0.000 0.000 0.261 356 A C 1.024 178.611 177.584 0.005 0.000 1.101 356 A CA 0.067 52.102 52.037 -0.003 0.000 0.772 356 A CB -0.087 18.908 19.000 -0.009 0.000 1.043 356 A HN 0.194 nan 8.150 nan 0.000 0.501 357 T N -0.372 114.188 114.554 0.011 0.000 3.258 357 T HA 0.495 4.845 4.350 0.000 0.000 0.263 357 T C 0.146 174.861 174.700 0.025 0.000 0.983 357 T CA 0.229 62.338 62.100 0.015 0.000 0.907 357 T CB -0.567 68.309 68.868 0.013 0.000 1.096 357 T HN 1.075 nan 8.240 nan 0.000 0.556 358 S N -0.875 114.844 115.700 0.031 0.000 2.578 358 S HA 0.331 4.801 4.470 0.000 0.000 0.272 358 S C -0.612 174.020 174.600 0.052 0.000 1.145 358 S CA -0.616 57.615 58.200 0.052 0.000 0.835 358 S CB 1.332 64.581 63.200 0.081 0.000 1.104 358 S HN 0.089 nan 8.310 nan 0.000 0.458 359 D N 1.009 121.451 120.400 0.071 0.000 2.162 359 D HA -0.007 4.633 4.640 0.000 0.000 0.205 359 D C 1.382 177.734 176.300 0.086 0.000 0.964 359 D CA 1.141 55.180 54.000 0.064 0.000 0.847 359 D CB -0.242 40.597 40.800 0.065 0.000 0.988 359 D HN 0.608 nan 8.370 nan 0.000 0.480 360 Y N 2.558 122.861 120.300 0.004 0.000 2.070 360 Y HA -0.236 4.314 4.550 0.001 0.000 0.280 360 Y C 1.523 177.423 175.900 -0.001 0.000 1.148 360 Y CA 2.010 60.113 58.100 0.006 0.000 1.125 360 Y CB -0.481 37.985 38.460 0.009 0.000 0.975 360 Y HN -0.162 nan 8.280 nan 0.000 0.492 361 D N -0.404 119.993 120.400 -0.005 0.000 2.228 361 D HA -0.195 4.445 4.640 0.000 0.000 0.203 361 D C 2.201 178.423 176.300 -0.130 0.000 0.988 361 D CA 1.567 55.503 54.000 -0.107 0.000 0.864 361 D CB -0.262 40.546 40.800 0.014 0.000 0.928 361 D HN 0.343 nan 8.370 nan 0.000 0.469 362 R N 0.397 120.852 120.500 -0.076 0.000 2.073 362 R HA -0.089 4.251 4.340 0.000 0.000 0.229 362 R C 1.652 177.899 176.300 -0.088 0.000 1.120 362 R CA 0.903 56.967 56.100 -0.061 0.000 0.967 362 R CB 0.185 30.471 30.300 -0.022 0.000 0.862 362 R HN 0.038 nan 8.270 nan 0.000 0.436 363 E N 0.848 120.983 120.200 -0.110 0.000 2.110 363 E HA -0.171 4.179 4.350 0.000 0.000 0.193 363 E C 1.816 178.321 176.600 -0.157 0.000 0.988 363 E CA 0.975 57.310 56.400 -0.108 0.000 0.804 363 E CB -0.047 29.602 29.700 -0.084 0.000 0.745 363 E HN 0.191 nan 8.360 nan 0.000 0.458 364 K N 0.654 120.888 120.400 -0.277 0.000 2.097 364 K HA -0.020 4.300 4.320 0.000 0.000 0.205 364 K C 2.379 178.886 176.600 -0.156 0.000 1.050 364 K CA 0.531 56.660 56.287 -0.264 0.000 0.938 364 K CB -0.422 31.830 32.500 -0.413 0.000 0.718 364 K HN 0.201 nan 8.250 nan 0.000 0.442 365 L N 0.922 122.066 121.223 -0.132 0.000 2.109 365 L HA -0.161 4.179 4.340 0.000 0.000 0.207 365 L C 2.559 179.391 176.870 -0.064 0.000 1.086 365 L CA 1.084 55.872 54.840 -0.087 0.000 0.760 365 L CB -0.349 41.667 42.059 -0.071 0.000 0.910 365 L HN 0.209 nan 8.230 nan 0.000 0.437 366 Q N -0.103 119.660 119.800 -0.061 0.000 2.084 366 Q HA -0.227 4.113 4.340 0.000 0.000 0.202 366 Q C 2.082 178.061 176.000 -0.036 0.000 0.978 366 Q CA 1.422 57.200 55.803 -0.041 0.000 0.844 366 Q CB -0.105 28.612 28.738 -0.035 0.000 0.898 366 Q HN 0.525 nan 8.270 nan 0.000 0.426 367 E N 0.528 120.701 120.200 -0.045 0.000 2.085 367 E HA -0.201 4.149 4.350 0.000 0.000 0.194 367 E C 2.104 178.689 176.600 -0.024 0.000 0.994 367 E CA 0.885 57.266 56.400 -0.031 0.000 0.801 367 E CB -0.012 29.665 29.700 -0.038 0.000 0.743 367 E HN 0.265 nan 8.360 nan 0.000 0.453 368 R N 0.343 120.820 120.500 -0.038 0.000 2.066 368 R HA -0.126 4.215 4.340 0.000 0.000 0.232 368 R C 2.742 179.028 176.300 -0.023 0.000 1.131 368 R CA 1.625 57.705 56.100 -0.033 0.000 0.955 368 R CB -0.692 29.579 30.300 -0.048 0.000 0.851 368 R HN 0.218 nan 8.270 nan 0.000 0.432 369 V N -1.169 118.730 119.914 -0.024 0.000 2.343 369 V HA -0.126 3.994 4.120 0.000 0.000 0.247 369 V C 2.399 178.487 176.094 -0.010 0.000 1.051 369 V CA 1.763 64.052 62.300 -0.017 0.000 1.036 369 V CB -1.168 30.644 31.823 -0.018 0.000 0.654 369 V HN 0.250 nan 8.190 nan 0.000 0.451 370 A N 0.573 123.387 122.820 -0.009 0.000 1.917 370 A HA -0.262 4.059 4.320 0.000 0.000 0.219 370 A C 2.343 179.930 177.584 0.004 0.000 1.182 370 A CA 2.550 54.586 52.037 -0.003 0.000 0.633 370 A CB -0.636 18.362 19.000 -0.002 0.000 0.819 370 A HN 0.662 nan 8.150 nan 0.000 0.448 371 K N -1.322 119.082 120.400 0.006 0.000 2.001 371 K HA -0.036 4.284 4.320 0.000 0.000 0.208 371 K C 1.935 178.543 176.600 0.014 0.000 1.048 371 K CA 1.239 57.537 56.287 0.018 0.000 0.932 371 K CB -0.337 32.178 32.500 0.025 0.000 0.715 371 K HN 0.327 nan 8.250 nan 0.000 0.437 372 L N 0.820 122.046 121.223 0.004 0.000 2.046 372 L HA -0.111 4.229 4.340 0.000 0.000 0.208 372 L C 2.118 178.989 176.870 0.002 0.000 1.077 372 L CA 1.796 56.637 54.840 0.001 0.000 0.747 372 L CB -0.661 41.393 42.059 -0.008 0.000 0.896 372 L HN 0.156 nan 8.230 nan 0.000 0.432 373 A N -1.405 121.414 122.820 -0.001 0.000 1.935 373 A HA 0.122 4.442 4.320 0.000 0.000 0.214 373 A C 2.288 179.873 177.584 0.001 0.000 1.178 373 A CA 0.925 52.961 52.037 -0.001 0.000 0.640 373 A CB -1.195 17.802 19.000 -0.004 0.000 0.825 373 A HN 0.441 nan 8.150 nan 0.000 0.447 374 G N -0.677 108.125 108.800 0.003 0.000 2.448 374 G HA2 0.307 4.268 3.960 0.000 0.000 0.219 374 G HA3 0.307 4.268 3.960 0.000 0.000 0.219 374 G C 1.229 176.132 174.900 0.005 0.000 1.127 374 G CA 0.879 45.981 45.100 0.004 0.000 0.766 374 G HN 1.647 nan 8.290 nan 0.000 0.552 375 G N -1.687 107.118 108.800 0.008 0.000 2.645 375 G HA2 -0.030 3.930 3.960 0.000 0.000 0.239 375 G HA3 -0.030 3.930 3.960 0.000 0.000 0.239 375 G C -0.579 174.326 174.900 0.009 0.000 1.331 375 G CA -0.131 44.974 45.100 0.008 0.000 0.890 375 G HN 1.092 nan 8.290 nan 0.000 0.572 376 V N 0.194 120.111 119.914 0.005 0.000 2.668 376 V HA 0.700 4.820 4.120 0.000 0.000 0.304 376 V C 0.604 176.696 176.094 -0.004 0.000 1.071 376 V CA -0.074 62.228 62.300 0.002 0.000 0.894 376 V CB 1.437 33.263 31.823 0.004 0.000 1.008 376 V HN 2.127 nan 8.190 nan 0.000 0.425 377 A N 4.597 127.413 122.820 -0.007 0.000 2.354 377 A HA 0.707 5.027 4.320 0.000 0.000 0.281 377 A C -0.416 177.159 177.584 -0.015 0.000 1.174 377 A CA -0.254 51.777 52.037 -0.011 0.000 0.828 377 A CB 0.568 19.561 19.000 -0.013 0.000 1.099 377 A HN 0.780 nan 8.150 nan 0.000 0.516 378 V N 5.221 125.127 119.914 -0.014 0.000 2.334 378 V HA 0.271 4.391 4.120 0.000 0.000 0.281 378 V C -0.071 176.013 176.094 -0.017 0.000 1.016 378 V CA -0.152 62.139 62.300 -0.016 0.000 0.832 378 V CB 0.957 32.773 31.823 -0.013 0.000 0.999 378 V HN 0.737 nan 8.190 nan 0.000 0.439 379 I N 5.234 125.792 120.570 -0.021 0.000 2.325 379 I HA 0.359 4.529 4.170 0.000 0.000 0.291 379 I C 0.296 176.402 176.117 -0.018 0.000 1.019 379 I CA -0.348 60.940 61.300 -0.020 0.000 1.302 379 I CB 0.969 38.953 38.000 -0.026 0.000 1.401 379 I HN 0.488 nan 8.210 nan 0.000 0.485 380 K N 6.147 126.538 120.400 -0.015 0.000 2.347 380 K HA 0.378 4.699 4.320 0.000 0.000 0.262 380 K C -0.627 175.966 176.600 -0.012 0.000 1.052 380 K CA -0.632 55.647 56.287 -0.013 0.000 0.946 380 K CB 1.681 34.174 32.500 -0.011 0.000 1.220 380 K HN 0.339 nan 8.250 nan 0.000 0.450 381 V N 2.941 122.848 119.914 -0.012 0.000 2.694 381 V HA -0.070 4.051 4.120 0.000 0.000 0.306 381 V C 1.514 177.603 176.094 -0.008 0.000 1.054 381 V CA 0.369 62.663 62.300 -0.010 0.000 1.161 381 V CB 0.563 32.380 31.823 -0.010 0.000 0.916 381 V HN 0.953 nan 8.190 nan 0.000 0.490 382 G N 2.878 111.673 108.800 -0.008 0.000 2.413 382 G HA2 0.438 4.399 3.960 0.000 0.000 0.300 382 G HA3 0.438 4.399 3.960 0.000 0.000 0.300 382 G C 0.290 175.186 174.900 -0.006 0.000 1.370 382 G CA 0.521 45.617 45.100 -0.007 0.000 1.110 382 G HN 1.274 nan 8.290 nan 0.000 0.596 383 A N -2.963 119.854 122.820 -0.005 0.000 3.117 383 A HA 0.850 5.170 4.320 0.000 0.000 0.158 383 A C 0.408 177.990 177.584 -0.004 0.000 1.138 383 A CA 0.947 52.982 52.037 -0.004 0.000 2.059 383 A CB -0.422 18.576 19.000 -0.004 0.000 2.607 383 A HN 2.624 nan 8.150 nan 0.000 1.059 384 A N -0.474 122.344 122.820 -0.003 0.000 2.419 384 A HA 0.548 4.868 4.320 0.000 0.000 0.262 384 A C 1.027 178.610 177.584 -0.002 0.000 1.352 384 A CA 1.273 53.308 52.037 -0.003 0.000 0.709 384 A CB -2.624 16.374 19.000 -0.003 0.000 1.150 384 A HN 3.517 nan 8.150 nan 0.000 0.329 385 T N -1.620 112.933 114.554 -0.002 0.000 0.552 385 T HA -0.083 4.267 4.350 0.000 0.000 0.773 385 T C 0.322 175.021 174.700 -0.002 0.000 0.992 385 T CA 1.486 63.585 62.100 -0.002 0.000 4.070 385 T CB -1.199 67.668 68.868 -0.002 0.000 2.299 385 T HN 1.988 nan 8.240 nan 0.000 0.397 386 E N 1.440 121.639 120.200 -0.001 0.000 2.171 386 E HA -0.138 4.213 4.350 0.000 0.000 0.197 386 E C 1.994 178.593 176.600 -0.001 0.000 0.997 386 E CA 2.100 58.499 56.400 -0.001 0.000 0.810 386 E CB -0.105 29.595 29.700 -0.001 0.000 0.738 386 E HN 0.674 nan 8.360 nan 0.000 0.467 387 V N 1.066 120.980 119.914 -0.000 0.000 2.244 387 V HA -0.234 3.886 4.120 0.000 0.000 0.244 387 V C 2.117 178.211 176.094 -0.000 0.000 1.042 387 V CA 2.147 64.447 62.300 0.000 0.000 1.006 387 V CB -0.652 31.171 31.823 0.000 0.000 0.641 387 V HN 0.263 nan 8.190 nan 0.000 0.446 388 E N -0.198 120.001 120.200 -0.001 0.000 2.118 388 E HA -0.259 4.092 4.350 0.000 0.000 0.195 388 E C 2.200 178.799 176.600 -0.002 0.000 0.992 388 E CA 1.498 57.898 56.400 -0.001 0.000 0.804 388 E CB -0.269 29.430 29.700 -0.002 0.000 0.741 388 E HN 0.420 nan 8.360 nan 0.000 0.458 389 M N 1.089 120.688 119.600 -0.002 0.000 2.080 389 M HA -0.184 4.297 4.480 0.000 0.000 0.260 389 M C 1.686 177.985 176.300 -0.002 0.000 1.068 389 M CA 1.581 56.879 55.300 -0.002 0.000 1.109 389 M CB -0.155 32.443 32.600 -0.003 0.000 1.342 389 M HN -0.101 nan 8.290 nan 0.000 0.405 390 K N 0.069 120.469 120.400 -0.000 0.000 2.148 390 K HA -0.130 4.191 4.320 0.000 0.000 0.204 390 K C 1.867 178.468 176.600 0.002 0.000 1.050 390 K CA 0.986 57.274 56.287 0.001 0.000 0.942 390 K CB -0.555 31.946 32.500 0.002 0.000 0.724 390 K HN 0.509 nan 8.250 nan 0.000 0.446 391 E N 1.768 121.969 120.200 0.001 0.000 2.107 391 E HA -0.169 4.181 4.350 0.000 0.000 0.191 391 E C 1.903 178.503 176.600 0.001 0.000 0.982 391 E CA 1.064 57.465 56.400 0.002 0.000 0.809 391 E CB 0.154 29.855 29.700 0.001 0.000 0.756 391 E HN 0.200 nan 8.360 nan 0.000 0.459 392 K N 1.022 121.421 120.400 -0.001 0.000 2.103 392 K HA -0.134 4.187 4.320 0.000 0.000 0.204 392 K C 2.355 178.953 176.600 -0.003 0.000 1.052 392 K CA 1.209 57.494 56.287 -0.003 0.000 0.945 392 K CB -0.079 32.419 32.500 -0.004 0.000 0.722 392 K HN -0.077 nan 8.250 nan 0.000 0.443 393 K N 0.235 120.633 120.400 -0.003 0.000 2.152 393 K HA -0.160 4.161 4.320 0.000 0.000 0.206 393 K C 1.840 178.440 176.600 -0.001 0.000 1.048 393 K CA 1.280 57.565 56.287 -0.005 0.000 0.933 393 K CB -0.129 32.369 32.500 -0.003 0.000 0.721 393 K HN 0.241 nan 8.250 nan 0.000 0.447 394 A N 1.393 124.215 122.820 0.004 0.000 1.872 394 A HA -0.113 4.207 4.320 0.000 0.000 0.214 394 A C 2.057 179.649 177.584 0.013 0.000 1.187 394 A CA 1.198 53.243 52.037 0.012 0.000 0.614 394 A CB -0.409 18.598 19.000 0.013 0.000 0.826 394 A HN 0.311 nan 8.150 nan 0.000 0.442 395 R N -0.521 119.983 120.500 0.007 0.000 2.105 395 R HA -0.100 4.240 4.340 0.000 0.000 0.239 395 R C 2.016 178.317 176.300 0.001 0.000 1.135 395 R CA 1.468 57.572 56.100 0.006 0.000 0.967 395 R CB -0.617 29.684 30.300 0.002 0.000 0.861 395 R HN 0.401 nan 8.270 nan 0.000 0.442 396 V N 1.047 120.956 119.914 -0.008 0.000 2.295 396 V HA -0.241 3.879 4.120 0.000 0.000 0.246 396 V C 2.081 178.151 176.094 -0.039 0.000 1.049 396 V CA 1.849 64.136 62.300 -0.022 0.000 1.024 396 V CB -0.450 31.358 31.823 -0.025 0.000 0.648 396 V HN 0.327 nan 8.190 nan 0.000 0.447 397 E N -0.186 119.994 120.200 -0.034 0.000 2.085 397 E HA -0.245 4.105 4.350 0.000 0.000 0.194 397 E C 2.001 178.580 176.600 -0.034 0.000 0.994 397 E CA 1.622 57.984 56.400 -0.064 0.000 0.801 397 E CB -0.095 29.603 29.700 -0.002 0.000 0.743 397 E HN 0.620 nan 8.360 nan 0.000 0.453 398 D N -0.208 120.225 120.400 0.056 0.000 2.084 398 D HA -0.116 4.524 4.640 0.000 0.000 0.196 398 D C 1.931 178.271 176.300 0.067 0.000 0.985 398 D CA 1.221 55.293 54.000 0.119 0.000 0.826 398 D CB -0.320 40.526 40.800 0.076 0.000 0.978 398 D HN 0.175 nan 8.370 nan 0.000 0.456 399 A N 1.096 123.928 122.820 0.020 0.000 1.997 399 A HA -0.202 4.118 4.320 0.000 0.000 0.221 399 A C 2.178 179.756 177.584 -0.011 0.000 1.172 399 A CA 1.177 53.218 52.037 0.006 0.000 0.645 399 A CB -0.719 18.277 19.000 -0.006 0.000 0.813 399 A HN 0.222 nan 8.150 nan 0.000 0.454 400 L N -0.801 120.385 121.223 -0.062 0.000 2.005 400 L HA -0.159 4.181 4.340 0.000 0.000 0.207 400 L C 2.426 179.239 176.870 -0.094 0.000 1.072 400 L CA 2.247 57.018 54.840 -0.116 0.000 0.744 400 L CB -0.815 41.115 42.059 -0.215 0.000 0.895 400 L HN 0.524 nan 8.230 nan 0.000 0.433 401 H N -0.477 118.591 119.070 -0.003 0.000 2.352 401 H HA -0.073 4.483 4.556 0.000 0.000 0.299 401 H C 2.109 177.437 175.328 0.001 0.000 1.097 401 H CA 1.456 57.503 56.048 -0.002 0.000 1.311 401 H CB -0.459 29.301 29.762 -0.004 0.000 1.377 401 H HN 0.509 nan 8.280 nan 0.000 0.504 402 A N 0.477 123.371 122.820 0.123 0.000 1.873 402 A HA -0.146 4.174 4.320 0.000 0.000 0.215 402 A C 2.646 180.256 177.584 0.044 0.000 1.186 402 A CA 2.079 54.157 52.037 0.069 0.000 0.616 402 A CB -0.838 18.191 19.000 0.049 0.000 0.823 402 A HN 0.402 nan 8.150 nan 0.000 0.442 403 T N -0.650 113.921 114.554 0.028 0.000 2.777 403 T HA -0.125 4.225 4.350 0.000 0.000 0.266 403 T C 2.093 176.804 174.700 0.018 0.000 1.040 403 T CA 1.630 63.739 62.100 0.015 0.000 1.141 403 T CB -0.223 68.645 68.868 0.000 0.000 0.868 403 T HN 0.473 nan 8.240 nan 0.000 0.444 404 R N 1.789 122.302 120.500 0.023 0.000 2.091 404 R HA 0.023 4.363 4.340 0.000 0.000 0.238 404 R C 2.354 178.676 176.300 0.036 0.000 1.136 404 R CA 1.777 57.893 56.100 0.028 0.000 0.959 404 R CB -0.923 29.400 30.300 0.039 0.000 0.856 404 R HN 0.364 nan 8.270 nan 0.000 0.437 405 A N -0.091 122.757 122.820 0.047 0.000 1.930 405 A HA 0.053 4.373 4.320 0.000 0.000 0.217 405 A C 2.329 179.931 177.584 0.030 0.000 1.175 405 A CA 1.495 53.557 52.037 0.041 0.000 0.627 405 A CB -0.922 18.105 19.000 0.046 0.000 0.815 405 A HN 0.466 nan 8.150 nan 0.000 0.443 406 A N -0.610 122.226 122.820 0.027 0.000 1.972 406 A HA 0.026 4.346 4.320 0.000 0.000 0.219 406 A C 2.123 179.718 177.584 0.018 0.000 1.169 406 A CA 1.677 53.726 52.037 0.021 0.000 0.635 406 A CB -0.701 18.309 19.000 0.018 0.000 0.810 406 A HN 0.365 nan 8.150 nan 0.000 0.446 407 V N -0.154 119.771 119.914 0.017 0.000 2.667 407 V HA -0.189 3.931 4.120 0.000 0.000 0.252 407 V C 2.277 178.380 176.094 0.016 0.000 1.065 407 V CA 2.028 64.336 62.300 0.014 0.000 1.083 407 V CB -0.575 31.256 31.823 0.012 0.000 0.692 407 V HN 0.633 nan 8.190 nan 0.000 0.468 408 E N -0.152 120.059 120.200 0.020 0.000 2.122 408 E HA -0.085 4.265 4.350 0.000 0.000 0.190 408 E C 1.384 177.994 176.600 0.018 0.000 0.977 408 E CA 1.023 57.435 56.400 0.020 0.000 0.820 408 E CB 0.141 29.856 29.700 0.024 0.000 0.770 408 E HN 0.650 nan 8.360 nan 0.000 0.462 409 E N -0.720 119.491 120.200 0.019 0.000 2.743 409 E HA 0.230 4.580 4.350 0.000 0.000 0.222 409 E C 0.161 176.770 176.600 0.016 0.000 0.959 409 E CA 0.082 56.492 56.400 0.017 0.000 1.198 409 E CB 1.718 31.429 29.700 0.017 0.000 1.100 409 E HN 0.216 nan 8.360 nan 0.000 0.518 410 G N 1.259 110.068 108.800 0.016 0.000 2.681 410 G HA2 -0.198 3.762 3.960 0.000 0.000 0.220 410 G HA3 -0.198 3.762 3.960 0.000 0.000 0.220 410 G C -0.301 174.609 174.900 0.016 0.000 1.353 410 G CA -0.451 44.658 45.100 0.015 0.000 0.872 410 G HN 0.551 nan 8.290 nan 0.000 0.557 411 V N -2.699 117.224 119.914 0.015 0.000 3.102 411 V HA 0.994 5.114 4.120 0.000 0.000 0.312 411 V C 0.490 176.594 176.094 0.016 0.000 1.135 411 V CA 0.134 62.443 62.300 0.015 0.000 1.022 411 V CB 1.449 33.280 31.823 0.013 0.000 1.056 411 V HN 2.475 nan 8.190 nan 0.000 0.436 412 V N -1.069 118.854 119.914 0.016 0.000 3.181 412 V HA 0.983 5.103 4.120 0.000 0.000 0.308 412 V C 0.394 176.497 176.094 0.015 0.000 1.214 412 V CA -0.754 61.557 62.300 0.017 0.000 1.053 412 V CB 1.247 33.081 31.823 0.018 0.000 1.069 412 V HN 2.101 nan 8.190 nan 0.000 0.441 413 A N 1.246 124.077 122.820 0.018 0.000 2.537 413 A HA 0.606 4.926 4.320 0.000 0.000 0.260 413 A C 0.944 178.533 177.584 0.008 0.000 1.082 413 A CA 0.721 52.766 52.037 0.013 0.000 0.765 413 A CB -0.785 18.227 19.000 0.020 0.000 1.019 413 A HN 1.916 nan 8.150 nan 0.000 0.507 414 G N 1.399 110.199 108.800 0.001 0.000 2.485 414 G HA2 0.491 4.451 3.960 0.000 0.000 0.260 414 G HA3 0.491 4.451 3.960 0.000 0.000 0.260 414 G C 1.230 176.126 174.900 -0.005 0.000 1.459 414 G CA -0.030 45.069 45.100 -0.001 0.000 1.060 414 G HN 2.201 nan 8.290 nan 0.000 0.546 415 G N -2.139 106.657 108.800 -0.007 0.000 2.187 415 G HA2 0.195 4.155 3.960 0.000 0.000 0.261 415 G HA3 0.195 4.155 3.960 0.000 0.000 0.261 415 G C 1.551 176.458 174.900 0.011 0.000 1.000 415 G CA 1.253 46.351 45.100 -0.003 0.000 0.718 415 G HN 2.484 nan 8.290 nan 0.000 0.519 416 G N -2.343 106.464 108.800 0.010 0.000 2.162 416 G HA2 -0.098 3.862 3.960 0.000 0.000 0.260 416 G HA3 -0.098 3.862 3.960 0.000 0.000 0.260 416 G C 1.846 176.756 174.900 0.017 0.000 0.976 416 G CA 1.922 47.030 45.100 0.014 0.000 0.655 416 G HN 2.233 nan 8.290 nan 0.000 0.533 417 V N -1.967 117.957 119.914 0.016 0.000 2.788 417 V HA 0.459 4.580 4.120 0.000 0.000 0.251 417 V C 2.723 178.833 176.094 0.027 0.000 1.068 417 V CA 1.845 64.159 62.300 0.022 0.000 1.090 417 V CB -0.479 31.352 31.823 0.014 0.000 0.710 417 V HN 1.368 nan 8.190 nan 0.000 0.467 418 A N 0.859 123.693 122.820 0.023 0.000 1.883 418 A HA -0.090 4.230 4.320 0.000 0.000 0.217 418 A C 2.244 179.843 177.584 0.025 0.000 1.186 418 A CA 2.291 54.343 52.037 0.025 0.000 0.624 418 A CB -0.764 18.249 19.000 0.021 0.000 0.822 418 A HN 0.584 nan 8.150 nan 0.000 0.444 419 L N -0.944 120.292 121.223 0.021 0.000 2.017 419 L HA -0.166 4.174 4.340 0.000 0.000 0.208 419 L C 2.552 179.435 176.870 0.022 0.000 1.073 419 L CA 1.636 56.488 54.840 0.020 0.000 0.745 419 L CB -0.328 41.742 42.059 0.017 0.000 0.894 419 L HN 0.538 nan 8.230 nan 0.000 0.432 420 I N -0.502 120.082 120.570 0.024 0.000 2.394 420 I HA -0.290 3.880 4.170 0.000 0.000 0.251 420 I C 2.739 178.877 176.117 0.035 0.000 1.136 420 I CA 0.892 62.209 61.300 0.027 0.000 1.425 420 I CB 0.018 38.035 38.000 0.028 0.000 1.079 420 I HN 0.193 nan 8.210 nan 0.000 0.425 421 R N 0.445 120.969 120.500 0.040 0.000 2.066 421 R HA -0.109 4.231 4.340 0.000 0.000 0.232 421 R C 2.037 178.359 176.300 0.037 0.000 1.131 421 R CA 2.085 58.214 56.100 0.048 0.000 0.955 421 R CB -1.097 29.236 30.300 0.055 0.000 0.851 421 R HN 0.244 nan 8.270 nan 0.000 0.432 422 V N 0.900 120.832 119.914 0.030 0.000 2.332 422 V HA -0.219 3.901 4.120 0.000 0.000 0.248 422 V C 2.263 178.369 176.094 0.020 0.000 1.055 422 V CA 2.043 64.356 62.300 0.023 0.000 1.038 422 V CB -0.724 31.110 31.823 0.019 0.000 0.651 422 V HN 0.588 nan 8.190 nan 0.000 0.450 423 A N 0.127 122.959 122.820 0.020 0.000 1.930 423 A HA -0.176 4.144 4.320 0.000 0.000 0.217 423 A C 2.508 180.102 177.584 0.018 0.000 1.175 423 A CA 1.921 53.967 52.037 0.017 0.000 0.627 423 A CB -0.750 18.259 19.000 0.015 0.000 0.815 423 A HN 0.713 nan 8.150 nan 0.000 0.443 424 S N 0.068 115.782 115.700 0.023 0.000 2.440 424 S HA -0.167 4.303 4.470 0.000 0.000 0.238 424 S C 1.585 176.197 174.600 0.020 0.000 1.010 424 S CA 1.560 59.775 58.200 0.024 0.000 0.972 424 S CB -0.367 62.854 63.200 0.034 0.000 0.774 424 S HN 0.631 nan 8.310 nan 0.000 0.501 425 K N 0.505 120.916 120.400 0.019 0.000 2.400 425 K HA 0.287 4.607 4.320 0.000 0.000 0.194 425 K C 0.903 177.510 176.600 0.012 0.000 1.033 425 K CA 0.319 56.615 56.287 0.016 0.000 1.021 425 K CB -0.084 32.426 32.500 0.017 0.000 0.808 425 K HN 0.425 nan 8.250 nan 0.000 0.505 426 L N 0.656 121.885 121.223 0.011 0.000 2.728 426 L HA 0.217 4.557 4.340 0.000 0.000 0.235 426 L C 1.751 178.626 176.870 0.007 0.000 1.197 426 L CA -0.304 54.541 54.840 0.008 0.000 0.992 426 L CB -0.031 42.032 42.059 0.007 0.000 1.263 426 L HN 0.047 nan 8.230 nan 0.000 0.484 427 A N -0.025 122.800 122.820 0.008 0.000 2.076 427 A HA -0.191 4.129 4.320 0.000 0.000 0.220 427 A C 1.580 179.167 177.584 0.005 0.000 1.160 427 A CA 1.671 53.712 52.037 0.007 0.000 0.653 427 A CB -0.184 18.820 19.000 0.007 0.000 0.801 427 A HN 0.397 nan 8.150 nan 0.000 0.455 428 D N -1.365 119.038 120.400 0.005 0.000 2.369 428 D HA 0.159 4.799 4.640 0.000 0.000 0.211 428 D C 0.192 176.493 176.300 0.003 0.000 1.077 428 D CA -0.315 53.687 54.000 0.003 0.000 0.842 428 D CB -0.018 40.784 40.800 0.003 0.000 0.947 428 D HN 0.344 nan 8.370 nan 0.000 0.509 429 L N 2.177 123.402 121.223 0.003 0.000 2.540 429 L HA 0.039 4.379 4.340 0.000 0.000 0.276 429 L C 0.136 177.008 176.870 0.002 0.000 1.212 429 L CA 0.668 55.509 54.840 0.002 0.000 0.893 429 L CB 0.103 42.164 42.059 0.003 0.000 1.138 429 L HN -0.213 nan 8.230 nan 0.000 0.491 430 R N 3.272 123.773 120.500 0.001 0.000 2.867 430 R HA 0.685 5.026 4.340 0.000 0.000 0.268 430 R C -0.121 176.180 176.300 0.001 0.000 1.014 430 R CA -0.304 55.797 56.100 0.001 0.000 0.946 430 R CB 1.494 31.794 30.300 0.001 0.000 1.208 430 R HN 0.799 nan 8.270 nan 0.000 0.477 431 G N -0.294 108.507 108.800 0.001 0.000 3.008 431 G HA2 0.201 4.162 3.960 0.000 0.000 0.181 431 G HA3 0.201 4.162 3.960 0.000 0.000 0.181 431 G C 0.070 174.970 174.900 0.000 0.000 1.309 431 G CA -0.191 44.909 45.100 0.000 0.000 1.009 431 G HN 0.422 nan 8.290 nan 0.000 0.584 432 Q N -0.573 119.227 119.800 0.000 0.000 2.376 432 Q HA 0.147 4.487 4.340 0.000 0.000 0.206 432 Q C -0.038 175.962 176.000 0.000 0.000 0.921 432 Q CA 0.617 56.420 55.803 0.000 0.000 0.911 432 Q CB 0.232 28.970 28.738 0.000 0.000 1.032 432 Q HN 0.623 nan 8.270 nan 0.000 0.510 433 N N -2.006 116.694 118.700 0.000 0.000 2.853 433 N HA 0.083 4.823 4.740 0.000 0.000 0.258 433 N C -0.091 175.420 175.510 0.001 0.000 1.444 433 N CA -0.612 52.438 53.050 0.000 0.000 0.837 433 N CB 0.504 38.991 38.487 0.000 0.000 1.489 433 N HN -0.359 nan 8.380 nan 0.000 0.529 434 E N -0.177 120.023 120.200 0.001 0.000 2.110 434 E HA -0.140 4.210 4.350 0.000 0.000 0.193 434 E C 0.302 176.902 176.600 0.001 0.000 0.988 434 E CA 1.156 57.556 56.400 0.001 0.000 0.804 434 E CB -0.270 29.430 29.700 0.001 0.000 0.745 434 E HN 0.570 nan 8.360 nan 0.000 0.458 435 D N 0.476 120.877 120.400 0.001 0.000 2.117 435 D HA -0.152 4.488 4.640 0.000 0.000 0.197 435 D C 1.970 178.271 176.300 0.002 0.000 0.987 435 D CA 0.883 54.884 54.000 0.002 0.000 0.829 435 D CB -0.166 40.635 40.800 0.002 0.000 0.961 435 D HN 0.281 nan 8.370 nan 0.000 0.460 436 Q N 0.108 119.909 119.800 0.002 0.000 2.170 436 Q HA -0.107 4.233 4.340 0.000 0.000 0.203 436 Q C 1.832 177.833 176.000 0.001 0.000 0.976 436 Q CA 0.715 56.519 55.803 0.001 0.000 0.858 436 Q CB 0.068 28.806 28.738 0.001 0.000 0.907 436 Q HN 0.239 nan 8.270 nan 0.000 0.433 437 N N -0.177 118.524 118.700 0.001 0.000 2.120 437 N HA -0.123 4.617 4.740 0.000 0.000 0.188 437 N C 1.830 177.341 175.510 0.002 0.000 1.024 437 N CA 1.015 54.066 53.050 0.002 0.000 0.852 437 N CB -0.259 38.229 38.487 0.001 0.000 1.003 437 N HN 0.059 nan 8.380 nan 0.000 0.424 438 V N 1.013 120.929 119.914 0.002 0.000 2.343 438 V HA -0.156 3.964 4.120 0.000 0.000 0.247 438 V C 2.468 178.564 176.094 0.003 0.000 1.051 438 V CA 2.000 64.301 62.300 0.002 0.000 1.036 438 V CB -1.260 30.564 31.823 0.002 0.000 0.654 438 V HN 0.333 nan 8.190 nan 0.000 0.451 439 G N 0.028 108.830 108.800 0.003 0.000 2.446 439 G HA2 -0.244 3.716 3.960 0.000 0.000 0.217 439 G HA3 -0.244 3.716 3.960 0.000 0.000 0.217 439 G C 1.571 176.473 174.900 0.003 0.000 1.168 439 G CA 1.165 46.266 45.100 0.003 0.000 0.771 439 G HN 0.484 nan 8.290 nan 0.000 0.551 440 I N 0.373 120.944 120.570 0.002 0.000 2.163 440 I HA -0.167 4.003 4.170 0.000 0.000 0.243 440 I C 2.703 178.822 176.117 0.003 0.000 1.085 440 I CA 1.138 62.439 61.300 0.002 0.000 1.347 440 I CB -0.148 37.853 38.000 0.002 0.000 1.044 440 I HN 0.041 nan 8.210 nan 0.000 0.408 441 K N 0.483 120.885 120.400 0.003 0.000 2.148 441 K HA -0.062 4.258 4.320 0.000 0.000 0.204 441 K C 2.119 178.722 176.600 0.004 0.000 1.050 441 K CA 0.921 57.210 56.287 0.004 0.000 0.942 441 K CB -0.543 31.959 32.500 0.003 0.000 0.724 441 K HN 0.227 nan 8.250 nan 0.000 0.446 442 V N 1.586 121.502 119.914 0.004 0.000 2.295 442 V HA -0.238 3.882 4.120 0.000 0.000 0.246 442 V C 2.466 178.563 176.094 0.005 0.000 1.049 442 V CA 1.993 64.296 62.300 0.005 0.000 1.024 442 V CB -0.702 31.124 31.823 0.005 0.000 0.648 442 V HN 0.284 nan 8.190 nan 0.000 0.447 443 A N -0.273 122.550 122.820 0.005 0.000 1.873 443 A HA -0.131 4.189 4.320 0.000 0.000 0.215 443 A C 2.193 179.781 177.584 0.006 0.000 1.186 443 A CA 1.687 53.728 52.037 0.005 0.000 0.616 443 A CB -0.570 18.432 19.000 0.004 0.000 0.823 443 A HN 0.481 nan 8.150 nan 0.000 0.442 444 L N -1.125 120.102 121.223 0.006 0.000 2.079 444 L HA -0.201 4.139 4.340 0.000 0.000 0.210 444 L C 2.830 179.705 176.870 0.008 0.000 1.081 444 L CA 1.806 56.651 54.840 0.008 0.000 0.752 444 L CB -0.516 41.547 42.059 0.007 0.000 0.896 444 L HN 0.453 nan 8.230 nan 0.000 0.433 445 R N 0.199 120.703 120.500 0.007 0.000 2.092 445 R HA -0.140 4.200 4.340 0.000 0.000 0.231 445 R C 2.356 178.660 176.300 0.007 0.000 1.119 445 R CA 1.293 57.397 56.100 0.007 0.000 0.970 445 R CB -0.168 30.135 30.300 0.005 0.000 0.864 445 R HN 0.341 nan 8.270 nan 0.000 0.440 446 A N 0.690 123.515 122.820 0.007 0.000 1.972 446 A HA -0.140 4.180 4.320 0.000 0.000 0.219 446 A C 2.051 179.641 177.584 0.009 0.000 1.169 446 A CA 1.256 53.297 52.037 0.008 0.000 0.635 446 A CB -0.382 18.623 19.000 0.009 0.000 0.810 446 A HN 0.332 nan 8.150 nan 0.000 0.446 447 M N -0.439 119.167 119.600 0.010 0.000 2.623 447 M HA -0.137 4.344 4.480 0.000 0.000 0.258 447 M C 1.228 177.535 176.300 0.012 0.000 1.067 447 M CA 1.048 56.355 55.300 0.012 0.000 1.068 447 M CB -0.250 32.357 32.600 0.012 0.000 1.409 447 M HN 0.481 nan 8.290 nan 0.000 0.504 448 E N -0.274 119.932 120.200 0.010 0.000 2.452 448 E HA 0.083 4.433 4.350 0.000 0.000 0.197 448 E C 2.026 178.629 176.600 0.005 0.000 1.022 448 E CA 0.293 56.698 56.400 0.008 0.000 0.890 448 E CB 0.162 29.866 29.700 0.006 0.000 0.918 448 E HN 0.476 nan 8.360 nan 0.000 0.496 449 A N 2.486 125.309 122.820 0.006 0.000 1.873 449 A HA -0.154 4.166 4.320 0.000 0.000 0.218 449 A C -0.320 177.267 177.584 0.005 0.000 1.193 449 A CA 1.435 53.475 52.037 0.004 0.000 0.629 449 A CB -1.482 17.522 19.000 0.006 0.000 0.826 449 A HN 0.119 nan 8.150 nan 0.000 0.447 450 P HA -0.175 nan 4.420 nan 0.000 0.214 450 P C 1.842 179.147 177.300 0.008 0.000 1.163 450 P CA 0.948 64.053 63.100 0.009 0.000 0.889 450 P CB -0.128 31.578 31.700 0.011 0.000 0.790 451 L N -0.737 120.491 121.223 0.008 0.000 1.970 451 L HA -0.225 4.115 4.340 0.000 0.000 0.212 451 L C 2.497 179.363 176.870 -0.006 0.000 1.071 451 L CA 1.933 56.777 54.840 0.007 0.000 0.751 451 L CB -0.445 41.617 42.059 0.005 0.000 0.889 451 L HN -0.109 nan 8.230 nan 0.000 0.432 452 R N -0.662 119.831 120.500 -0.013 0.000 2.096 452 R HA -0.286 4.054 4.340 0.000 0.000 0.240 452 R C 2.246 178.537 176.300 -0.015 0.000 1.139 452 R CA 2.069 58.156 56.100 -0.022 0.000 0.952 452 R CB -0.404 29.887 30.300 -0.015 0.000 0.854 452 R HN 0.382 nan 8.270 nan 0.000 0.436 453 Q N 0.996 120.793 119.800 -0.005 0.000 2.050 453 Q HA -0.100 4.240 4.340 0.000 0.000 0.202 453 Q C 1.877 177.879 176.000 0.004 0.000 0.980 453 Q CA 1.602 57.405 55.803 -0.001 0.000 0.840 453 Q CB -0.196 28.543 28.738 0.002 0.000 0.898 453 Q HN 0.372 nan 8.270 nan 0.000 0.424 454 I N -0.631 119.945 120.570 0.010 0.000 2.208 454 I HA -0.289 3.881 4.170 0.000 0.000 0.245 454 I C 2.032 178.170 176.117 0.035 0.000 1.097 454 I CA 1.082 62.396 61.300 0.023 0.000 1.363 454 I CB -0.326 37.694 38.000 0.034 0.000 1.051 454 I HN 0.087 nan 8.210 nan 0.000 0.413 455 V N 0.561 120.486 119.914 0.018 0.000 2.358 455 V HA -0.260 3.860 4.120 0.000 0.000 0.246 455 V C 2.361 178.453 176.094 -0.004 0.000 1.047 455 V CA 1.518 63.816 62.300 -0.004 0.000 1.035 455 V CB -0.485 31.271 31.823 -0.112 0.000 0.658 455 V HN 0.354 nan 8.190 nan 0.000 0.452 456 L N 0.761 121.978 121.223 -0.009 0.000 2.083 456 L HA -0.138 4.203 4.340 0.000 0.000 0.209 456 L C 2.168 179.040 176.870 0.004 0.000 1.083 456 L CA 1.894 56.731 54.840 -0.006 0.000 0.752 456 L CB -0.816 41.239 42.059 -0.006 0.000 0.899 456 L HN 0.302 nan 8.230 nan 0.000 0.433 457 N N -1.130 117.575 118.700 0.009 0.000 2.289 457 N HA -0.155 4.585 4.740 0.000 0.000 0.184 457 N C 1.715 177.235 175.510 0.016 0.000 1.016 457 N CA 1.545 54.601 53.050 0.011 0.000 0.872 457 N CB -0.638 37.854 38.487 0.010 0.000 0.973 457 N HN 0.427 nan 8.380 nan 0.000 0.433 458 C N -0.536 118.781 119.300 0.029 0.000 2.500 458 C HA 0.228 4.688 4.460 0.000 0.000 0.273 458 C C 1.632 176.641 174.990 0.032 0.000 1.428 458 C CA 0.406 59.447 59.018 0.039 0.000 1.766 458 C CB -1.144 26.646 27.740 0.083 0.000 1.817 458 C HN 0.625 nan 8.230 nan 0.000 0.543 459 G N 0.942 109.754 108.800 0.020 0.000 2.137 459 G HA2 -0.155 3.806 3.960 0.000 0.000 0.237 459 G HA3 -0.155 3.806 3.960 0.000 0.000 0.237 459 G C -0.206 174.703 174.900 0.014 0.000 1.002 459 G CA 0.145 45.254 45.100 0.015 0.000 0.702 459 G HN 0.506 nan 8.290 nan 0.000 0.515 460 E N -0.040 120.165 120.200 0.009 0.000 2.285 460 E HA 0.458 4.808 4.350 0.000 0.000 0.254 460 E C 0.062 176.644 176.600 -0.031 0.000 1.011 460 E CA -0.730 55.666 56.400 -0.007 0.000 0.873 460 E CB 0.696 30.383 29.700 -0.021 0.000 1.229 460 E HN 0.461 nan 8.360 nan 0.000 0.422 461 E N 1.493 121.666 120.200 -0.045 0.000 2.014 461 E HA 0.159 4.509 4.350 0.000 0.000 0.275 461 E C -1.810 174.748 176.600 -0.069 0.000 0.997 461 E CA -1.680 54.695 56.400 -0.043 0.000 0.804 461 E CB 1.120 30.805 29.700 -0.026 0.000 1.090 461 E HN 0.114 nan 8.360 nan 0.000 0.401 462 P HA -0.243 nan 4.420 nan 0.000 0.215 462 P C 1.207 178.473 177.300 -0.055 0.000 1.163 462 P CA 1.289 64.349 63.100 -0.068 0.000 0.894 462 P CB 0.285 31.961 31.700 -0.040 0.000 0.791 463 S N -0.824 114.855 115.700 -0.034 0.000 2.380 463 S HA -0.149 4.321 4.470 0.000 0.000 0.229 463 S C 1.957 176.544 174.600 -0.022 0.000 1.043 463 S CA 1.649 59.835 58.200 -0.022 0.000 1.038 463 S CB -1.298 61.893 63.200 -0.015 0.000 0.872 463 S HN -0.031 nan 8.310 nan 0.000 0.456 464 V N 1.095 120.992 119.914 -0.029 0.000 2.283 464 V HA -0.097 4.023 4.120 0.000 0.000 0.243 464 V C 2.317 178.402 176.094 -0.015 0.000 1.039 464 V CA 1.347 63.636 62.300 -0.018 0.000 1.016 464 V CB -0.848 30.967 31.823 -0.013 0.000 0.650 464 V HN 0.344 nan 8.190 nan 0.000 0.449 465 V N 0.587 120.457 119.914 -0.074 0.000 2.343 465 V HA -0.244 3.876 4.120 0.000 0.000 0.247 465 V C 2.759 178.839 176.094 -0.023 0.000 1.051 465 V CA 2.013 64.248 62.300 -0.108 0.000 1.036 465 V CB -1.205 30.328 31.823 -0.484 0.000 0.654 465 V HN 0.544 nan 8.190 nan 0.000 0.451 466 A N 0.406 123.202 122.820 -0.039 0.000 1.902 466 A HA -0.287 4.034 4.320 0.000 0.000 0.217 466 A C 2.078 179.678 177.584 0.027 0.000 1.181 466 A CA 2.318 54.353 52.037 -0.003 0.000 0.623 466 A CB -0.846 18.148 19.000 -0.012 0.000 0.818 466 A HN 0.599 nan 8.150 nan 0.000 0.443 467 N N -0.638 118.073 118.700 0.018 0.000 2.120 467 N HA -0.115 4.625 4.740 0.000 0.000 0.188 467 N C 1.673 177.207 175.510 0.041 0.000 1.024 467 N CA 2.264 55.327 53.050 0.022 0.000 0.852 467 N CB -0.335 38.156 38.487 0.008 0.000 1.003 467 N HN 0.409 nan 8.380 nan 0.000 0.424 468 T N -0.651 113.935 114.554 0.053 0.000 2.770 468 T HA -0.026 4.324 4.350 0.000 0.000 0.263 468 T C 1.961 176.773 174.700 0.185 0.000 1.039 468 T CA 1.047 63.183 62.100 0.060 0.000 1.142 468 T CB -0.365 68.469 68.868 -0.057 0.000 0.868 468 T HN -0.003 nan 8.240 nan 0.000 0.435 469 V N 1.702 121.740 119.914 0.207 0.000 2.343 469 V HA -0.181 3.939 4.120 0.000 0.000 0.247 469 V C 2.457 178.668 176.094 0.195 0.000 1.051 469 V CA 1.571 63.995 62.300 0.207 0.000 1.036 469 V CB -0.488 31.405 31.823 0.117 0.000 0.654 469 V HN 0.465 nan 8.190 nan 0.000 0.451 470 K N 0.135 120.608 120.400 0.122 0.000 2.147 470 K HA -0.093 4.227 4.320 0.000 0.000 0.205 470 K C 2.235 178.889 176.600 0.089 0.000 1.049 470 K CA 1.282 57.624 56.287 0.090 0.000 0.936 470 K CB -0.565 31.968 32.500 0.054 0.000 0.722 470 K HN 0.572 nan 8.250 nan 0.000 0.446 471 G N 1.212 110.067 108.800 0.091 0.000 2.432 471 G HA2 -0.152 3.809 3.960 0.000 0.000 0.219 471 G HA3 -0.152 3.809 3.960 0.000 0.000 0.219 471 G C 0.864 175.785 174.900 0.036 0.000 1.135 471 G CA 0.905 46.035 45.100 0.051 0.000 0.767 471 G HN 0.393 nan 8.290 nan 0.000 0.550 472 G N -0.204 108.661 108.800 0.108 0.000 2.531 472 G HA2 0.491 4.451 3.960 0.000 0.000 0.253 472 G HA3 0.491 4.451 3.960 0.000 0.000 0.253 472 G C -0.543 174.406 174.900 0.082 0.000 1.439 472 G CA 0.350 45.453 45.100 0.005 0.000 1.056 472 G HN 0.427 nan 8.290 nan 0.000 0.555 473 D N -3.595 116.853 120.400 0.080 0.000 2.677 473 D HA 0.523 5.163 4.640 0.000 0.000 0.298 473 D C 0.642 177.010 176.300 0.114 0.000 1.250 473 D CA 0.450 54.502 54.000 0.087 0.000 0.888 473 D CB 0.590 41.410 40.800 0.033 0.000 1.397 473 D HN 1.699 nan 8.370 nan 0.000 0.461 474 G N 0.484 109.334 108.800 0.083 0.000 2.550 474 G HA2 -0.298 3.662 3.960 0.000 0.000 0.277 474 G HA3 -0.298 3.662 3.960 0.000 0.000 0.277 474 G C -0.061 174.901 174.900 0.103 0.000 1.190 474 G CA 0.409 45.557 45.100 0.080 0.000 0.971 474 G HN 0.739 nan 8.290 nan 0.000 0.559 475 N N 0.055 118.820 118.700 0.107 0.000 2.451 475 N HA 0.373 5.113 4.740 0.000 0.000 0.264 475 N C -0.283 175.309 175.510 0.136 0.000 1.167 475 N CA -0.085 53.023 53.050 0.097 0.000 0.898 475 N CB 0.366 38.891 38.487 0.063 0.000 1.176 475 N HN 0.544 nan 8.380 nan 0.000 0.507 476 Y N 0.929 121.263 120.300 0.057 0.000 2.393 476 Y HA 0.555 5.105 4.550 0.000 0.000 0.338 476 Y C 0.684 176.653 175.900 0.116 0.000 1.029 476 Y CA -0.268 57.882 58.100 0.084 0.000 1.239 476 Y CB 0.090 38.597 38.460 0.078 0.000 1.170 476 Y HN 0.111 nan 8.280 nan 0.000 0.515 477 G N 4.125 112.687 108.800 -0.398 0.000 2.815 477 G HA2 0.253 4.214 3.960 0.000 0.000 0.305 477 G HA3 0.253 4.214 3.960 0.000 0.000 0.305 477 G C -2.407 172.334 174.900 -0.266 0.000 1.277 477 G CA -0.900 44.035 45.100 -0.275 0.000 0.795 477 G HN 0.523 nan 8.290 nan 0.000 0.528 478 Y N 1.613 121.712 120.300 -0.334 0.000 2.334 478 Y HA 0.521 5.071 4.550 0.000 0.000 0.336 478 Y C -0.012 175.692 175.900 -0.325 0.000 0.960 478 Y CA -1.310 56.480 58.100 -0.516 0.000 1.164 478 Y CB 1.314 39.450 38.460 -0.540 0.000 1.155 478 Y HN 0.411 nan 8.280 nan 0.000 0.478 479 N N 4.978 123.267 118.700 -0.686 0.000 2.402 479 N HA 0.101 4.841 4.740 0.000 0.000 0.259 479 N C 0.644 175.695 175.510 -0.764 0.000 1.167 479 N CA 0.688 53.425 53.050 -0.521 0.000 0.949 479 N CB 1.308 39.576 38.487 -0.365 0.000 1.212 479 N HN 0.940 nan 8.380 nan 0.000 0.493 480 A N 3.968 126.501 122.820 -0.479 0.000 2.019 480 A HA -0.076 4.244 4.320 0.000 0.000 0.219 480 A C 2.062 179.505 177.584 -0.236 0.000 1.164 480 A CA 1.690 53.538 52.037 -0.316 0.000 0.644 480 A CB -0.434 18.541 19.000 -0.043 0.000 0.805 480 A HN 0.720 nan 8.150 nan 0.000 0.449 481 A N -0.204 122.494 122.820 -0.204 0.000 1.832 481 A HA -0.086 4.235 4.320 0.000 0.000 0.214 481 A C 2.431 179.924 177.584 -0.152 0.000 1.200 481 A CA 2.463 54.417 52.037 -0.138 0.000 0.610 481 A CB -1.359 17.576 19.000 -0.107 0.000 0.842 481 A HN 0.807 nan 8.150 nan 0.000 0.444 482 T N -2.850 111.589 114.554 -0.192 0.000 3.088 482 T HA 0.122 4.472 4.350 0.000 0.000 0.259 482 T C 0.316 174.889 174.700 -0.211 0.000 1.122 482 T CA 0.885 62.887 62.100 -0.164 0.000 1.095 482 T CB -0.476 68.308 68.868 -0.141 0.000 0.930 482 T HN 0.589 nan 8.240 nan 0.000 0.508 483 E N 1.230 121.201 120.200 -0.381 0.000 2.320 483 E HA -0.131 4.219 4.350 0.000 0.000 0.234 483 E C -0.832 175.553 176.600 -0.358 0.000 1.183 483 E CA 0.410 56.527 56.400 -0.471 0.000 0.713 483 E CB -0.903 28.731 29.700 -0.110 0.000 1.226 483 E HN 0.662 nan 8.360 nan 0.000 0.382 484 E N -0.369 119.539 120.200 -0.487 0.000 2.356 484 E HA 0.346 4.696 4.350 0.000 0.000 0.275 484 E C -0.663 175.762 176.600 -0.292 0.000 0.904 484 E CA -0.715 55.562 56.400 -0.205 0.000 0.757 484 E CB 1.025 30.676 29.700 -0.082 0.000 1.232 484 E HN 0.036 nan 8.360 nan 0.000 0.442 485 Y N 0.115 120.406 120.300 -0.014 0.000 2.334 485 Y HA 0.651 5.201 4.550 0.000 0.000 0.325 485 Y C 1.298 177.192 175.900 -0.010 0.000 1.308 485 Y CA 0.592 58.661 58.100 -0.051 0.000 1.389 485 Y CB 1.400 39.880 38.460 0.032 0.000 1.328 485 Y HN 0.714 nan 8.280 nan 0.000 0.532 486 G N 0.232 109.103 108.800 0.119 0.000 2.350 486 G HA2 -0.049 3.911 3.960 0.000 0.000 0.276 486 G HA3 -0.049 3.911 3.960 0.000 0.000 0.276 486 G C -1.823 173.164 174.900 0.144 0.000 1.313 486 G CA -1.182 44.034 45.100 0.194 0.000 0.903 486 G HN 0.572 nan 8.290 nan 0.000 0.490 487 N N 1.057 119.836 118.700 0.132 0.000 2.411 487 N HA 0.164 4.904 4.740 0.000 0.000 0.259 487 N C 1.735 177.266 175.510 0.036 0.000 1.103 487 N CA -0.532 52.580 53.050 0.103 0.000 0.954 487 N CB 0.855 39.397 38.487 0.091 0.000 1.085 487 N HN 0.387 nan 8.380 nan 0.000 0.485 488 M N 3.521 123.130 119.600 0.016 0.000 2.108 488 M HA -0.162 4.318 4.480 0.000 0.000 0.261 488 M C 1.632 177.931 176.300 -0.003 0.000 1.066 488 M CA 1.146 56.439 55.300 -0.012 0.000 1.107 488 M CB -0.576 32.016 32.600 -0.014 0.000 1.356 488 M HN 0.565 nan 8.290 nan 0.000 0.406 489 I N 0.187 120.765 120.570 0.013 0.000 2.202 489 I HA -0.241 3.929 4.170 0.000 0.000 0.242 489 I C 1.943 178.066 176.117 0.009 0.000 1.091 489 I CA 1.307 62.614 61.300 0.012 0.000 1.368 489 I CB -1.531 36.480 38.000 0.019 0.000 1.058 489 I HN 0.246 nan 8.210 nan 0.000 0.410 490 D N 0.838 121.248 120.400 0.016 0.000 2.149 490 D HA -0.165 4.475 4.640 0.000 0.000 0.198 490 D C 2.189 178.491 176.300 0.003 0.000 0.990 490 D CA 1.222 55.230 54.000 0.014 0.000 0.839 490 D CB -0.129 40.685 40.800 0.023 0.000 0.948 490 D HN 0.337 nan 8.370 nan 0.000 0.460 491 M N -0.415 119.183 119.600 -0.004 0.000 2.659 491 M HA 0.077 4.558 4.480 0.000 0.000 0.243 491 M C 0.963 177.249 176.300 -0.023 0.000 1.111 491 M CA 0.529 55.817 55.300 -0.019 0.000 1.070 491 M CB 0.223 32.800 32.600 -0.038 0.000 1.525 491 M HN 0.026 nan 8.290 nan 0.000 0.517 492 G N 2.297 111.088 108.800 -0.014 0.000 2.246 492 G HA2 -0.249 3.711 3.960 0.000 0.000 0.273 492 G HA3 -0.249 3.711 3.960 0.000 0.000 0.273 492 G C -0.094 174.794 174.900 -0.019 0.000 1.055 492 G CA -0.115 44.977 45.100 -0.014 0.000 0.851 492 G HN 0.543 nan 8.290 nan 0.000 0.500 493 I N 0.539 121.095 120.570 -0.023 0.000 2.428 493 I HA 0.536 4.706 4.170 0.000 0.000 0.279 493 I C 0.094 176.201 176.117 -0.016 0.000 1.040 493 I CA -0.899 60.384 61.300 -0.028 0.000 1.171 493 I CB 0.744 38.714 38.000 -0.049 0.000 1.312 493 I HN 0.224 nan 8.210 nan 0.000 0.470 494 L N 3.537 124.755 121.223 -0.009 0.000 2.568 494 L HA 0.775 5.115 4.340 0.000 0.000 0.257 494 L C -1.443 175.429 176.870 0.003 0.000 1.024 494 L CA -0.715 54.125 54.840 -0.001 0.000 0.854 494 L CB 1.639 43.700 42.059 0.003 0.000 1.460 494 L HN 0.066 nan 8.230 nan 0.000 0.409 495 D N -0.310 120.094 120.400 0.008 0.000 2.671 495 D HA 0.493 5.133 4.640 0.000 0.000 0.232 495 D C -2.800 173.509 176.300 0.015 0.000 1.114 495 D CA -1.271 52.736 54.000 0.012 0.000 0.858 495 D CB 2.473 43.280 40.800 0.012 0.000 1.544 495 D HN 0.368 nan 8.370 nan 0.000 0.471 496 P HA 0.053 nan 4.420 nan 0.000 0.267 496 P C 0.873 178.186 177.300 0.021 0.000 1.205 496 P CA 0.158 63.271 63.100 0.021 0.000 0.765 496 P CB 0.562 32.278 31.700 0.026 0.000 0.828 497 T N 2.605 117.171 114.554 0.019 0.000 2.760 497 T HA -0.240 4.110 4.350 0.000 0.000 0.269 497 T C 1.606 176.318 174.700 0.021 0.000 1.047 497 T CA 1.404 63.515 62.100 0.019 0.000 1.139 497 T CB -0.276 68.601 68.868 0.016 0.000 0.855 497 T HN 0.502 nan 8.240 nan 0.000 0.471 498 K N 0.497 120.912 120.400 0.024 0.000 2.057 498 K HA -0.061 4.259 4.320 0.000 0.000 0.207 498 K C 2.381 179.003 176.600 0.036 0.000 1.049 498 K CA 1.083 57.387 56.287 0.029 0.000 0.931 498 K CB -0.408 32.111 32.500 0.032 0.000 0.714 498 K HN 0.236 nan 8.250 nan 0.000 0.440 499 V N 0.824 120.759 119.914 0.034 0.000 2.358 499 V HA -0.210 3.910 4.120 0.000 0.000 0.246 499 V C 1.756 177.873 176.094 0.039 0.000 1.047 499 V CA 2.524 64.846 62.300 0.037 0.000 1.035 499 V CB -0.417 31.421 31.823 0.026 0.000 0.658 499 V HN 0.452 nan 8.190 nan 0.000 0.452 500 T N 0.223 114.795 114.554 0.030 0.000 2.746 500 T HA -0.186 4.164 4.350 0.000 0.000 0.267 500 T C 1.939 176.656 174.700 0.028 0.000 1.039 500 T CA 1.946 64.062 62.100 0.027 0.000 1.142 500 T CB -0.335 68.545 68.868 0.021 0.000 0.866 500 T HN 0.550 nan 8.240 nan 0.000 0.444 501 R N 0.863 121.377 120.500 0.023 0.000 2.070 501 R HA -0.087 4.253 4.340 0.000 0.000 0.233 501 R C 2.585 178.892 176.300 0.012 0.000 1.137 501 R CA 1.810 57.916 56.100 0.011 0.000 0.945 501 R CB -0.376 29.926 30.300 0.004 0.000 0.845 501 R HN 0.218 nan 8.270 nan 0.000 0.430 502 S N 0.409 116.138 115.700 0.048 0.000 2.368 502 S HA -0.122 4.349 4.470 0.000 0.000 0.225 502 S C 1.968 176.685 174.600 0.194 0.000 1.030 502 S CA 1.096 59.367 58.200 0.118 0.000 0.999 502 S CB -0.222 63.105 63.200 0.211 0.000 0.844 502 S HN 0.578 nan 8.310 nan 0.000 0.459 503 A N 1.433 124.331 122.820 0.130 0.000 1.883 503 A HA -0.086 4.235 4.320 0.000 0.000 0.217 503 A C 2.136 179.776 177.584 0.093 0.000 1.186 503 A CA 1.533 53.639 52.037 0.115 0.000 0.624 503 A CB -0.773 18.265 19.000 0.063 0.000 0.822 503 A HN 0.422 nan 8.150 nan 0.000 0.444 504 L N -0.194 121.059 121.223 0.050 0.000 2.005 504 L HA -0.183 4.157 4.340 0.000 0.000 0.207 504 L C 2.508 179.380 176.870 0.003 0.000 1.072 504 L CA 2.401 57.256 54.840 0.024 0.000 0.744 504 L CB -0.859 41.205 42.059 0.009 0.000 0.895 504 L HN 0.516 nan 8.230 nan 0.000 0.433 505 Q N -1.825 117.947 119.800 -0.046 0.000 2.124 505 Q HA -0.230 4.111 4.340 0.000 0.000 0.202 505 Q C 2.142 178.047 176.000 -0.159 0.000 0.977 505 Q CA 1.973 57.694 55.803 -0.136 0.000 0.850 505 Q CB -0.301 28.293 28.738 -0.241 0.000 0.901 505 Q HN 0.521 nan 8.270 nan 0.000 0.429 506 Y N 0.061 120.360 120.300 -0.002 0.000 2.314 506 Y HA -0.130 4.421 4.550 0.001 0.000 0.293 506 Y C 2.302 178.200 175.900 -0.003 0.000 1.129 506 Y CA 0.881 58.979 58.100 -0.004 0.000 1.201 506 Y CB -0.487 37.970 38.460 -0.006 0.000 0.999 506 Y HN 0.127 nan 8.280 nan 0.000 0.541 507 A N -0.015 122.890 122.820 0.142 0.000 1.855 507 A HA -0.097 4.223 4.320 0.000 0.000 0.215 507 A C 2.465 180.080 177.584 0.052 0.000 1.191 507 A CA 1.786 53.872 52.037 0.083 0.000 0.613 507 A CB -1.308 17.727 19.000 0.057 0.000 0.829 507 A HN 0.359 nan 8.150 nan 0.000 0.442 508 A N -0.730 122.108 122.820 0.029 0.000 1.978 508 A HA -0.135 4.185 4.320 0.000 0.000 0.220 508 A C 2.442 180.033 177.584 0.012 0.000 1.170 508 A CA 2.300 54.343 52.037 0.011 0.000 0.636 508 A CB -0.885 18.111 19.000 -0.007 0.000 0.810 508 A HN 0.576 nan 8.150 nan 0.000 0.448 509 S N -0.998 114.713 115.700 0.017 0.000 2.338 509 S HA -0.131 4.339 4.470 0.000 0.000 0.218 509 S C 1.974 176.598 174.600 0.040 0.000 1.032 509 S CA 1.640 59.853 58.200 0.022 0.000 0.999 509 S CB -0.611 62.610 63.200 0.035 0.000 0.905 509 S HN 0.573 nan 8.310 nan 0.000 0.439 510 V N 1.853 121.803 119.914 0.060 0.000 2.490 510 V HA -0.010 4.110 4.120 0.000 0.000 0.250 510 V C 2.542 178.656 176.094 0.033 0.000 1.061 510 V CA 2.010 64.339 62.300 0.048 0.000 1.064 510 V CB -1.054 30.799 31.823 0.051 0.000 0.670 510 V HN 0.590 nan 8.190 nan 0.000 0.461 511 A N 0.114 122.952 122.820 0.031 0.000 1.877 511 A HA -0.032 4.288 4.320 0.000 0.000 0.216 511 A C 2.394 179.989 177.584 0.019 0.000 1.186 511 A CA 1.857 53.907 52.037 0.023 0.000 0.620 511 A CB -1.469 17.543 19.000 0.020 0.000 0.822 511 A HN 0.646 nan 8.150 nan 0.000 0.443 512 G N -0.243 108.567 108.800 0.017 0.000 2.442 512 G HA2 -0.174 3.786 3.960 0.000 0.000 0.219 512 G HA3 -0.174 3.786 3.960 0.000 0.000 0.219 512 G C 1.555 176.464 174.900 0.015 0.000 1.141 512 G CA 1.055 46.163 45.100 0.013 0.000 0.763 512 G HN 0.429 nan 8.290 nan 0.000 0.554 513 L N -0.367 120.867 121.223 0.019 0.000 2.056 513 L HA -0.021 4.319 4.340 0.000 0.000 0.207 513 L C 3.111 179.993 176.870 0.020 0.000 1.078 513 L CA 0.995 55.847 54.840 0.020 0.000 0.749 513 L CB -0.322 41.751 42.059 0.023 0.000 0.901 513 L HN 0.240 nan 8.230 nan 0.000 0.433 514 M N -0.564 119.049 119.600 0.021 0.000 2.132 514 M HA -0.196 4.284 4.480 0.000 0.000 0.263 514 M C 2.273 178.584 176.300 0.019 0.000 1.065 514 M CA 1.744 57.057 55.300 0.021 0.000 1.122 514 M CB -0.293 32.319 32.600 0.021 0.000 1.365 514 M HN 0.194 nan 8.290 nan 0.000 0.411 515 I N 0.046 120.626 120.570 0.017 0.000 2.454 515 I HA -0.207 3.963 4.170 0.000 0.000 0.254 515 I C 1.579 177.706 176.117 0.017 0.000 1.156 515 I CA 1.355 62.664 61.300 0.015 0.000 1.433 515 I CB -0.577 37.430 38.000 0.013 0.000 1.082 515 I HN 0.393 nan 8.210 nan 0.000 0.432 516 T N -3.104 111.461 114.554 0.018 0.000 3.243 516 T HA 0.190 4.540 4.350 0.000 0.000 0.264 516 T C 0.386 175.101 174.700 0.024 0.000 1.000 516 T CA -0.350 61.762 62.100 0.020 0.000 0.901 516 T CB -0.305 68.573 68.868 0.017 0.000 1.083 516 T HN -0.083 nan 8.240 nan 0.000 0.559 517 T N 1.969 116.538 114.554 0.025 0.000 2.795 517 T HA 0.386 4.737 4.350 0.000 0.000 0.282 517 T C 0.464 175.186 174.700 0.036 0.000 0.980 517 T CA -0.592 61.525 62.100 0.028 0.000 1.012 517 T CB 1.783 70.665 68.868 0.024 0.000 0.936 517 T HN 0.094 nan 8.240 nan 0.000 0.457 518 E N 0.473 120.704 120.200 0.052 0.000 2.514 518 E HA 0.182 4.532 4.350 0.000 0.000 0.215 518 E C -0.030 176.637 176.600 0.112 0.000 0.946 518 E CA 0.094 56.548 56.400 0.091 0.000 1.038 518 E CB 0.840 30.608 29.700 0.113 0.000 1.069 518 E HN 0.571 nan 8.360 nan 0.000 0.503 519 C N 0.728 120.040 119.300 0.021 0.000 2.880 519 C HA 0.682 5.142 4.460 0.000 0.000 0.320 519 C C -1.334 173.581 174.990 -0.125 0.000 1.176 519 C CA -0.581 58.347 59.018 -0.151 0.000 1.390 519 C CB 0.420 28.074 27.740 -0.144 0.000 1.846 519 C HN 0.114 nan 8.230 nan 0.000 0.478 520 M N 5.128 124.630 119.600 -0.163 0.000 2.395 520 M HA 0.619 5.099 4.480 0.000 0.000 0.307 520 M C -1.125 175.227 176.300 0.087 0.000 1.091 520 M CA -0.591 54.728 55.300 0.032 0.000 0.919 520 M CB 2.155 34.884 32.600 0.214 0.000 1.662 520 M HN 0.391 nan 8.290 nan 0.000 0.440 521 V N 1.286 121.229 119.914 0.048 0.000 2.531 521 V HA 0.774 4.894 4.120 0.000 0.000 0.301 521 V C -0.381 175.672 176.094 -0.068 0.000 1.034 521 V CA -0.407 61.899 62.300 0.011 0.000 0.865 521 V CB 2.040 33.849 31.823 -0.024 0.000 0.995 521 V HN 0.952 nan 8.190 nan 0.000 0.424 522 T N 2.218 116.690 114.554 -0.137 0.000 2.843 522 T HA 0.424 4.774 4.350 0.000 0.000 0.302 522 T C -1.232 173.366 174.700 -0.171 0.000 1.232 522 T CA -0.555 61.400 62.100 -0.243 0.000 1.009 522 T CB 1.817 70.361 68.868 -0.540 0.000 1.254 522 T HN 0.694 nan 8.240 nan 0.000 0.504 523 D N 1.520 121.832 120.400 -0.147 0.000 2.382 523 D HA 0.354 4.994 4.640 0.000 0.000 0.240 523 D C -0.136 176.110 176.300 -0.091 0.000 1.146 523 D CA -0.199 53.745 54.000 -0.093 0.000 0.897 523 D CB 0.378 41.133 40.800 -0.075 0.000 1.197 523 D HN 0.189 nan 8.370 nan 0.000 0.432 524 L N 3.848 125.044 121.223 -0.044 0.000 2.416 524 L HA 0.155 4.496 4.340 0.000 0.000 0.272 524 L C -1.156 175.696 176.870 -0.030 0.000 1.161 524 L CA -1.324 53.503 54.840 -0.021 0.000 0.845 524 L CB 0.458 42.517 42.059 0.000 0.000 1.119 524 L HN 0.422 nan 8.230 nan 0.000 0.464 525 P HA -0.141 nan 4.420 nan 0.000 0.229 525 P C -0.047 177.244 177.300 -0.015 0.000 1.150 525 P CA 1.059 64.145 63.100 -0.023 0.000 0.765 525 P CB 0.150 31.845 31.700 -0.008 0.000 0.783 526 K N 0.000 120.395 120.400 -0.009 0.000 2.780 526 K HA 0.000 4.320 4.320 0.000 0.000 0.191 526 K CA 0.000 56.283 56.287 -0.006 0.000 0.838 526 K CB 0.000 32.500 32.500 -0.000 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543