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 1xck_1_H DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.581 177.584 -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 18.992 19.000 -0.014 0.000 0.831 3 A N 1.782 124.601 122.820 -0.001 0.000 2.548 3 A HA 0.505 4.824 4.320 -0.000 0.000 0.247 3 A C 0.336 177.921 177.584 0.002 0.000 1.067 3 A CA 0.439 52.480 52.037 0.006 0.000 0.757 3 A CB -0.188 18.818 19.000 0.009 0.000 0.996 3 A HN 0.600 nan 8.150 nan 0.000 0.504 4 K N 1.346 121.751 120.400 0.008 0.000 2.168 4 K HA 0.447 4.767 4.320 -0.000 0.000 0.239 4 K C -0.973 175.647 176.600 0.032 0.000 0.999 4 K CA -0.674 55.616 56.287 0.004 0.000 0.900 4 K CB 1.162 33.662 32.500 0.001 0.000 1.111 4 K HN 0.712 nan 8.250 nan 0.000 0.452 5 D N 0.951 121.380 120.400 0.047 0.000 2.471 5 D HA 0.284 4.924 4.640 -0.000 0.000 0.245 5 D C -1.343 175.090 176.300 0.222 0.000 1.116 5 D CA -0.562 53.521 54.000 0.139 0.000 0.853 5 D CB 1.079 41.986 40.800 0.178 0.000 1.123 5 D HN 0.039 nan 8.370 nan 0.000 0.540 6 V N 4.674 124.668 119.914 0.134 0.000 2.417 6 V HA 0.432 4.552 4.120 -0.000 0.000 0.291 6 V C 0.367 176.372 176.094 -0.148 0.000 1.024 6 V CA -0.699 61.597 62.300 -0.005 0.000 0.861 6 V CB 1.596 33.358 31.823 -0.101 0.000 0.985 6 V HN 0.350 nan 8.190 nan 0.000 0.436 7 K N 3.648 123.861 120.400 -0.313 0.000 2.259 7 K HA 0.728 5.048 4.320 -0.000 0.000 0.249 7 K C -1.432 174.843 176.600 -0.542 0.000 0.942 7 K CA -0.488 55.542 56.287 -0.429 0.000 0.816 7 K CB 2.269 34.310 32.500 -0.765 0.000 1.155 7 K HN 0.430 nan 8.250 nan 0.000 0.428 8 F N -0.429 119.463 119.950 -0.098 0.000 2.618 8 F HA 0.354 4.881 4.527 -0.000 0.000 0.332 8 F C 1.445 177.209 175.800 -0.060 0.000 1.061 8 F CA 0.043 58.010 58.000 -0.055 0.000 0.974 8 F CB 1.206 40.185 39.000 -0.035 0.000 1.310 8 F HN 0.817 nan 8.300 nan 0.000 0.491 9 G N 1.366 110.285 108.800 0.197 0.000 2.667 9 G HA2 -0.464 3.496 3.960 -0.000 0.000 0.379 9 G HA3 -0.464 3.496 3.960 -0.000 0.000 0.379 9 G C 1.382 176.302 174.900 0.033 0.000 1.236 9 G CA 1.166 46.321 45.100 0.092 0.000 0.946 9 G HN 0.737 nan 8.290 nan 0.000 0.573 10 N N 0.533 119.247 118.700 0.022 0.000 2.104 10 N HA -0.166 4.574 4.740 -0.000 0.000 0.190 10 N C 1.921 177.417 175.510 -0.024 0.000 1.024 10 N CA 2.044 55.093 53.050 -0.000 0.000 0.853 10 N CB -0.371 38.116 38.487 -0.000 0.000 1.008 10 N HN 0.556 nan 8.380 nan 0.000 0.424 11 D N 0.451 120.831 120.400 -0.033 0.000 2.133 11 D HA -0.103 4.537 4.640 -0.000 0.000 0.195 11 D C 1.733 177.948 176.300 -0.141 0.000 0.997 11 D CA 1.455 55.406 54.000 -0.081 0.000 0.840 11 D CB -0.256 40.493 40.800 -0.086 0.000 0.947 11 D HN 0.346 nan 8.370 nan 0.000 0.452 12 A N 0.299 123.033 122.820 -0.142 0.000 1.898 12 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 12 A C 2.344 179.887 177.584 -0.069 0.000 1.181 12 A CA 1.271 53.206 52.037 -0.170 0.000 0.620 12 A CB -0.422 18.497 19.000 -0.134 0.000 0.819 12 A HN 0.203 nan 8.150 nan 0.000 0.442 13 R N -0.282 120.197 120.500 -0.035 0.000 2.092 13 R HA -0.095 4.245 4.340 -0.000 0.000 0.231 13 R C 2.137 178.432 176.300 -0.009 0.000 1.119 13 R CA 1.496 57.590 56.100 -0.010 0.000 0.970 13 R CB -0.597 29.703 30.300 -0.001 0.000 0.864 13 R HN 0.591 nan 8.270 nan 0.000 0.440 14 V N -0.607 119.295 119.914 -0.020 0.000 2.427 14 V HA -0.151 3.969 4.120 -0.000 0.000 0.248 14 V C 1.945 178.035 176.094 -0.006 0.000 1.051 14 V CA 1.333 63.625 62.300 -0.013 0.000 1.048 14 V CB -0.372 31.439 31.823 -0.019 0.000 0.666 14 V HN 0.051 nan 8.190 nan 0.000 0.456 15 K N 0.221 120.610 120.400 -0.017 0.000 2.009 15 K HA -0.087 4.233 4.320 -0.000 0.000 0.210 15 K C 2.273 178.903 176.600 0.050 0.000 1.049 15 K CA 2.308 58.606 56.287 0.020 0.000 0.929 15 K CB -0.639 31.869 32.500 0.014 0.000 0.714 15 K HN 0.529 nan 8.250 nan 0.000 0.440 16 M N 0.287 119.915 119.600 0.048 0.000 2.080 16 M HA -0.210 4.270 4.480 -0.000 0.000 0.260 16 M C 2.263 178.581 176.300 0.031 0.000 1.068 16 M CA 1.228 56.557 55.300 0.048 0.000 1.109 16 M CB -0.404 32.221 32.600 0.041 0.000 1.342 16 M HN 0.049 nan 8.290 nan 0.000 0.405 17 L N 0.712 121.947 121.223 0.021 0.000 1.989 17 L HA -0.216 4.124 4.340 -0.000 0.000 0.211 17 L C 2.503 179.382 176.870 0.015 0.000 1.071 17 L CA 2.003 56.852 54.840 0.015 0.000 0.749 17 L CB -0.833 41.231 42.059 0.010 0.000 0.890 17 L HN 0.176 nan 8.230 nan 0.000 0.431 18 R N 0.088 120.598 120.500 0.016 0.000 2.117 18 R HA -0.112 4.228 4.340 -0.000 0.000 0.243 18 R C 2.110 178.421 176.300 0.019 0.000 1.143 18 R CA 1.896 58.006 56.100 0.016 0.000 0.968 18 R CB -1.477 28.834 30.300 0.018 0.000 0.863 18 R HN 0.491 nan 8.270 nan 0.000 0.444 19 G N -0.231 108.585 108.800 0.026 0.000 2.394 19 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.214 19 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.214 19 G C 1.464 176.372 174.900 0.014 0.000 1.176 19 G CA 0.997 46.110 45.100 0.023 0.000 0.786 19 G HN 0.379 nan 8.290 nan 0.000 0.533 20 V N -0.068 119.854 119.914 0.015 0.000 2.626 20 V HA -0.107 4.013 4.120 -0.000 0.000 0.252 20 V C 2.168 178.267 176.094 0.008 0.000 1.067 20 V CA 2.100 64.406 62.300 0.010 0.000 1.081 20 V CB -0.549 31.281 31.823 0.012 0.000 0.686 20 V HN 0.195 nan 8.190 nan 0.000 0.468 21 N N 1.099 119.804 118.700 0.009 0.000 2.120 21 N HA -0.104 4.636 4.740 -0.000 0.000 0.188 21 N C 1.865 177.378 175.510 0.005 0.000 1.024 21 N CA 1.895 54.949 53.050 0.007 0.000 0.852 21 N CB -0.538 37.953 38.487 0.007 0.000 1.003 21 N HN 0.515 nan 8.380 nan 0.000 0.424 22 V N 1.856 121.773 119.914 0.005 0.000 2.287 22 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 22 V C 2.463 178.557 176.094 -0.000 0.000 1.053 22 V CA 1.281 63.582 62.300 0.002 0.000 1.027 22 V CB -0.673 31.151 31.823 0.002 0.000 0.646 22 V HN 0.202 nan 8.190 nan 0.000 0.447 23 L N 0.999 122.221 121.223 -0.001 0.000 1.970 23 L HA -0.125 4.215 4.340 -0.000 0.000 0.212 23 L C 2.463 179.332 176.870 -0.003 0.000 1.071 23 L CA 2.607 57.445 54.840 -0.004 0.000 0.751 23 L CB -1.070 40.986 42.059 -0.004 0.000 0.889 23 L HN 0.207 nan 8.230 nan 0.000 0.432 24 A N -0.654 122.166 122.820 0.000 0.000 1.883 24 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 24 A C 2.005 179.590 177.584 0.001 0.000 1.186 24 A CA 1.993 54.031 52.037 0.001 0.000 0.624 24 A CB -1.026 17.977 19.000 0.004 0.000 0.822 24 A HN 0.613 nan 8.150 nan 0.000 0.444 25 D N 0.016 120.417 120.400 0.001 0.000 2.178 25 D HA -0.027 4.613 4.640 -0.000 0.000 0.201 25 D C 2.112 178.412 176.300 -0.001 0.000 0.980 25 D CA 1.381 55.381 54.000 0.001 0.000 0.842 25 D CB -0.353 40.448 40.800 0.001 0.000 0.948 25 D HN 0.462 nan 8.370 nan 0.000 0.472 26 A N 0.437 123.256 122.820 -0.002 0.000 1.929 26 A HA -0.055 4.265 4.320 -0.000 0.000 0.216 26 A C 2.477 180.058 177.584 -0.004 0.000 1.176 26 A CA 0.749 52.784 52.037 -0.004 0.000 0.628 26 A CB -0.426 18.570 19.000 -0.006 0.000 0.816 26 A HN 0.133 nan 8.150 nan 0.000 0.444 27 V N 1.127 121.038 119.914 -0.004 0.000 2.346 27 V HA -0.201 3.919 4.120 -0.000 0.000 0.244 27 V C 2.473 178.566 176.094 -0.002 0.000 1.037 27 V CA 2.093 64.390 62.300 -0.004 0.000 1.029 27 V CB -0.547 31.273 31.823 -0.006 0.000 0.663 27 V HN 0.834 nan 8.190 nan 0.000 0.454 28 K N 1.409 121.809 120.400 -0.000 0.000 2.442 28 K HA -0.089 4.231 4.320 -0.000 0.000 0.198 28 K C 1.644 178.245 176.600 0.001 0.000 1.042 28 K CA 1.636 57.923 56.287 0.001 0.000 0.958 28 K CB -0.577 31.925 32.500 0.003 0.000 0.766 28 K HN 0.495 nan 8.250 nan 0.000 0.474 29 V N -0.474 119.441 119.914 0.000 0.000 3.305 29 V HA -0.104 4.016 4.120 -0.000 0.000 0.269 29 V C 2.090 178.185 176.094 0.001 0.000 1.157 29 V CA 1.467 63.768 62.300 0.001 0.000 1.157 29 V CB -0.916 30.907 31.823 0.000 0.000 0.772 29 V HN 0.539 nan 8.190 nan 0.000 0.498 30 T N -3.189 111.365 114.554 -0.000 0.000 3.051 30 T HA 0.086 4.436 4.350 -0.000 0.000 0.255 30 T C 1.628 176.328 174.700 -0.000 0.000 1.085 30 T CA 0.668 62.767 62.100 -0.001 0.000 1.109 30 T CB -0.000 68.867 68.868 -0.002 0.000 0.921 30 T HN 0.284 nan 8.240 nan 0.000 0.488 31 L N 2.927 124.151 121.223 0.001 0.000 1.980 31 L HA 0.074 4.414 4.340 -0.000 0.000 0.232 31 L C 1.897 178.768 176.870 0.001 0.000 1.092 31 L CA 2.130 56.971 54.840 0.002 0.000 0.808 31 L CB -1.464 40.597 42.059 0.004 0.000 0.908 31 L HN 0.505 nan 8.230 nan 0.000 0.442 32 G N -1.455 107.348 108.800 0.004 0.000 2.680 32 G HA2 0.067 4.027 3.960 -0.000 0.000 0.274 32 G HA3 0.067 4.027 3.960 -0.000 0.000 0.274 32 G C -1.851 173.046 174.900 -0.006 0.000 1.292 32 G CA 0.231 45.332 45.100 0.002 0.000 1.007 32 G HN 0.454 nan 8.290 nan 0.000 0.578 33 P HA 0.144 nan 4.420 nan 0.000 0.249 33 P C 0.527 177.818 177.300 -0.015 0.000 1.229 33 P CA 0.569 63.656 63.100 -0.020 0.000 0.788 33 P CB 0.519 32.196 31.700 -0.037 0.000 1.072 34 K N 0.509 120.904 120.400 -0.008 0.000 2.593 34 K HA 0.264 4.584 4.320 -0.000 0.000 0.208 34 K C 0.984 177.584 176.600 0.000 0.000 1.051 34 K CA -0.240 56.046 56.287 -0.003 0.000 1.111 34 K CB 0.412 32.914 32.500 0.004 0.000 0.849 34 K HN 0.044 nan 8.250 nan 0.000 0.479 35 G N 1.518 110.318 108.800 -0.001 0.000 2.484 35 G HA2 0.042 4.002 3.960 -0.000 0.000 0.235 35 G HA3 0.042 4.002 3.960 -0.000 0.000 0.235 35 G C 0.246 175.146 174.900 -0.001 0.000 1.282 35 G CA -0.315 44.785 45.100 -0.000 0.000 0.857 35 G HN 0.076 nan 8.290 nan 0.000 0.571 36 R N 0.775 121.275 120.500 0.000 0.000 2.549 36 R HA 0.238 4.577 4.340 -0.000 0.000 0.259 36 R C 0.012 176.311 176.300 -0.001 0.000 1.095 36 R CA -0.750 55.350 56.100 -0.000 0.000 1.148 36 R CB 0.289 30.589 30.300 0.000 0.000 1.181 36 R HN 0.644 nan 8.270 nan 0.000 0.571 37 N N -0.985 117.714 118.700 -0.001 0.000 2.487 37 N HA 0.362 5.102 4.740 -0.000 0.000 0.292 37 N C -1.042 174.466 175.510 -0.002 0.000 1.108 37 N CA -0.514 52.535 53.050 -0.002 0.000 0.956 37 N CB 1.559 40.045 38.487 -0.001 0.000 1.176 37 N HN 0.078 nan 8.380 nan 0.000 0.484 38 V N 1.826 121.739 119.914 -0.003 0.000 2.540 38 V HA 0.359 4.479 4.120 -0.000 0.000 0.302 38 V C -0.413 175.679 176.094 -0.004 0.000 1.035 38 V CA -0.822 61.475 62.300 -0.004 0.000 0.873 38 V CB 1.807 33.627 31.823 -0.005 0.000 0.992 38 V HN 0.330 nan 8.190 nan 0.000 0.428 39 V N 6.253 126.164 119.914 -0.004 0.000 2.350 39 V HA 0.431 4.551 4.120 -0.000 0.000 0.276 39 V C -0.149 175.941 176.094 -0.007 0.000 1.028 39 V CA -0.393 61.905 62.300 -0.005 0.000 0.860 39 V CB 1.256 33.077 31.823 -0.004 0.000 0.990 39 V HN 0.616 nan 8.190 nan 0.000 0.453 40 L N 3.984 125.203 121.223 -0.007 0.000 2.265 40 L HA 0.490 4.830 4.340 -0.000 0.000 0.289 40 L C -0.034 176.829 176.870 -0.011 0.000 1.033 40 L CA -0.500 54.334 54.840 -0.011 0.000 0.814 40 L CB 1.403 43.455 42.059 -0.011 0.000 1.203 40 L HN 0.545 nan 8.230 nan 0.000 0.423 41 D N 3.349 123.739 120.400 -0.016 0.000 2.372 41 D HA 0.227 4.867 4.640 -0.000 0.000 0.243 41 D C -0.620 175.664 176.300 -0.027 0.000 1.121 41 D CA 0.222 54.210 54.000 -0.020 0.000 0.898 41 D CB 0.894 41.678 40.800 -0.026 0.000 1.202 41 D HN 0.337 nan 8.370 nan 0.000 0.428 42 K N 1.081 121.465 120.400 -0.026 0.000 2.397 42 K HA 0.209 4.529 4.320 -0.000 0.000 0.253 42 K C 1.068 177.622 176.600 -0.075 0.000 0.932 42 K CA -0.555 55.712 56.287 -0.033 0.000 0.795 42 K CB 1.772 34.278 32.500 0.009 0.000 1.159 42 K HN 0.417 nan 8.250 nan 0.000 0.424 43 S N 2.030 117.627 115.700 -0.171 0.000 2.389 43 S HA -0.172 4.298 4.470 -0.000 0.000 0.231 43 S C 0.495 174.865 174.600 -0.382 0.000 1.052 43 S CA 1.151 59.136 58.200 -0.357 0.000 1.053 43 S CB -0.367 62.477 63.200 -0.593 0.000 0.886 43 S HN 0.401 nan 8.310 nan 0.000 0.456 44 F N 2.655 122.603 119.950 -0.003 0.000 2.402 44 F HA 0.690 5.216 4.527 -0.001 0.000 0.355 44 F C 1.164 176.963 175.800 -0.002 0.000 1.123 44 F CA -0.158 57.841 58.000 -0.002 0.000 1.021 44 F CB 1.094 40.093 39.000 -0.002 0.000 1.160 44 F HN 0.550 nan 8.300 nan 0.000 0.451 45 G N 1.522 110.440 108.800 0.198 0.000 2.512 45 G HA2 0.259 4.219 3.960 -0.000 0.000 0.210 45 G HA3 0.259 4.219 3.960 -0.000 0.000 0.210 45 G C -0.856 174.081 174.900 0.062 0.000 1.295 45 G CA -0.588 44.576 45.100 0.107 0.000 0.934 45 G HN 0.999 nan 8.290 nan 0.000 0.554 46 A N 0.787 123.633 122.820 0.044 0.000 2.322 46 A HA 0.809 5.129 4.320 -0.000 0.000 0.269 46 A C -1.522 176.075 177.584 0.022 0.000 1.094 46 A CA -0.319 51.734 52.037 0.027 0.000 0.807 46 A CB 0.013 19.026 19.000 0.021 0.000 1.047 46 A HN 0.700 nan 8.150 nan 0.000 0.487 47 P HA 0.260 nan 4.420 nan 0.000 0.271 47 P C -0.326 176.978 177.300 0.007 0.000 1.233 47 P CA 0.031 63.134 63.100 0.006 0.000 0.789 47 P CB 0.428 32.128 31.700 0.001 0.000 0.951 48 T N 1.755 116.311 114.554 0.004 0.000 2.767 48 T HA 0.479 4.829 4.350 -0.000 0.000 0.288 48 T C 0.197 174.898 174.700 0.001 0.000 0.963 48 T CA -0.229 61.874 62.100 0.004 0.000 1.019 48 T CB -0.047 68.822 68.868 0.002 0.000 0.923 48 T HN 0.165 nan 8.240 nan 0.000 0.468 49 I N 2.887 123.457 120.570 0.001 0.000 2.354 49 I HA 0.512 4.682 4.170 -0.000 0.000 0.292 49 I C 0.486 176.602 176.117 -0.000 0.000 0.989 49 I CA -0.465 60.835 61.300 0.000 0.000 1.188 49 I CB 1.750 39.750 38.000 0.001 0.000 1.342 49 I HN 0.509 nan 8.210 nan 0.000 0.457 50 T N 4.402 118.955 114.554 -0.002 0.000 2.843 50 T HA 0.400 4.750 4.350 -0.000 0.000 0.302 50 T C -0.096 174.602 174.700 -0.003 0.000 1.232 50 T CA -0.577 61.522 62.100 -0.002 0.000 1.009 50 T CB 1.821 70.688 68.868 -0.003 0.000 1.254 50 T HN 0.674 nan 8.240 nan 0.000 0.504 51 K N 1.030 121.428 120.400 -0.002 0.000 2.447 51 K HA 0.191 4.511 4.320 -0.000 0.000 0.205 51 K C -0.666 175.932 176.600 -0.003 0.000 1.059 51 K CA -0.233 56.053 56.287 -0.003 0.000 1.065 51 K CB 0.548 33.046 32.500 -0.002 0.000 0.885 51 K HN 0.485 nan 8.250 nan 0.000 0.545 52 D N 0.353 120.751 120.400 -0.003 0.000 2.365 52 D HA 0.086 4.725 4.640 -0.000 0.000 0.237 52 D C 1.237 177.533 176.300 -0.006 0.000 1.190 52 D CA -0.071 53.927 54.000 -0.003 0.000 0.867 52 D CB 1.156 41.955 40.800 -0.003 0.000 1.050 52 D HN 0.199 nan 8.370 nan 0.000 0.491 53 G N 2.493 111.290 108.800 -0.006 0.000 2.462 53 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.220 53 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.220 53 G C 1.441 176.333 174.900 -0.013 0.000 1.121 53 G CA 0.720 45.816 45.100 -0.008 0.000 0.758 53 G HN 0.489 nan 8.290 nan 0.000 0.559 54 V N 0.810 120.715 119.914 -0.014 0.000 2.379 54 V HA -0.145 3.975 4.120 -0.000 0.000 0.245 54 V C 3.033 179.115 176.094 -0.020 0.000 1.044 54 V CA 2.050 64.339 62.300 -0.019 0.000 1.036 54 V CB -0.423 31.388 31.823 -0.019 0.000 0.664 54 V HN 0.353 nan 8.190 nan 0.000 0.453 55 S N 0.111 115.802 115.700 -0.016 0.000 2.356 55 S HA -0.165 4.304 4.470 -0.000 0.000 0.223 55 S C 2.054 176.643 174.600 -0.018 0.000 1.032 55 S CA 1.541 59.731 58.200 -0.016 0.000 1.005 55 S CB -0.242 62.951 63.200 -0.011 0.000 0.867 55 S HN 0.374 nan 8.310 nan 0.000 0.449 56 V N 2.231 122.136 119.914 -0.015 0.000 2.233 56 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 56 V C 2.713 178.796 176.094 -0.018 0.000 1.050 56 V CA 1.814 64.105 62.300 -0.015 0.000 1.010 56 V CB -1.345 30.472 31.823 -0.011 0.000 0.637 56 V HN 0.547 nan 8.190 nan 0.000 0.444 57 A N -0.366 122.443 122.820 -0.019 0.000 1.917 57 A HA -0.314 4.006 4.320 -0.000 0.000 0.219 57 A C 2.412 179.979 177.584 -0.028 0.000 1.182 57 A CA 2.279 54.302 52.037 -0.023 0.000 0.633 57 A CB -0.690 18.295 19.000 -0.025 0.000 0.819 57 A HN 0.466 nan 8.150 nan 0.000 0.448 58 R N -0.606 119.875 120.500 -0.031 0.000 2.105 58 R HA -0.155 4.185 4.340 -0.000 0.000 0.239 58 R C 1.591 177.868 176.300 -0.037 0.000 1.135 58 R CA 1.616 57.693 56.100 -0.039 0.000 0.967 58 R CB -0.154 30.122 30.300 -0.041 0.000 0.861 58 R HN 0.511 nan 8.270 nan 0.000 0.442 59 E N 0.207 120.389 120.200 -0.030 0.000 2.358 59 E HA -0.036 4.314 4.350 -0.000 0.000 0.195 59 E C 0.411 176.995 176.600 -0.026 0.000 1.010 59 E CA 0.240 56.623 56.400 -0.028 0.000 0.856 59 E CB 0.107 29.793 29.700 -0.024 0.000 0.795 59 E HN 0.229 nan 8.360 nan 0.000 0.504 60 I N 2.033 122.588 120.570 -0.024 0.000 2.517 60 I HA 0.095 4.265 4.170 -0.000 0.000 0.285 60 I C 0.401 176.505 176.117 -0.023 0.000 1.106 60 I CA 0.354 61.641 61.300 -0.021 0.000 1.402 60 I CB 0.001 37.991 38.000 -0.017 0.000 1.399 60 I HN -0.039 nan 8.210 nan 0.000 0.535 61 E N 7.060 127.247 120.200 -0.021 0.000 2.343 61 E HA 0.426 4.776 4.350 -0.000 0.000 0.288 61 E C -1.692 174.896 176.600 -0.019 0.000 0.907 61 E CA -0.561 55.826 56.400 -0.023 0.000 0.792 61 E CB 1.751 31.435 29.700 -0.027 0.000 1.275 61 E HN 0.442 nan 8.360 nan 0.000 0.402 62 L N 3.428 124.641 121.223 -0.017 0.000 2.360 62 L HA 0.379 4.719 4.340 -0.000 0.000 0.271 62 L C 1.552 178.413 176.870 -0.015 0.000 1.057 62 L CA -0.415 54.418 54.840 -0.011 0.000 0.803 62 L CB 1.362 43.420 42.059 -0.002 0.000 1.207 62 L HN 0.742 nan 8.230 nan 0.000 0.445 63 E N 0.906 121.100 120.200 -0.010 0.000 2.072 63 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 63 E C 0.549 177.142 176.600 -0.010 0.000 0.985 63 E CA 0.534 56.926 56.400 -0.012 0.000 0.801 63 E CB 0.267 29.963 29.700 -0.007 0.000 0.750 63 E HN 0.671 nan 8.360 nan 0.000 0.452 64 D N 0.713 121.117 120.400 0.008 0.000 2.382 64 D HA -0.063 4.577 4.640 -0.000 0.000 0.259 64 D C 0.671 176.969 176.300 -0.004 0.000 1.224 64 D CA 0.001 54.018 54.000 0.029 0.000 0.894 64 D CB 0.881 41.722 40.800 0.069 0.000 1.127 64 D HN 0.051 nan 8.370 nan 0.000 0.487 65 K N 3.618 123.972 120.400 -0.077 0.000 2.074 65 K HA -0.193 4.127 4.320 -0.000 0.000 0.209 65 K C 1.886 178.326 176.600 -0.266 0.000 1.048 65 K CA 1.280 57.435 56.287 -0.219 0.000 0.926 65 K CB -0.383 31.895 32.500 -0.370 0.000 0.713 65 K HN 0.492 nan 8.250 nan 0.000 0.444 66 F N 1.714 121.650 119.950 -0.023 0.000 2.113 66 F HA -0.074 4.453 4.527 0.000 0.000 0.297 66 F C 2.483 178.271 175.800 -0.021 0.000 1.103 66 F CA 1.122 59.106 58.000 -0.026 0.000 1.248 66 F CB -0.519 38.464 39.000 -0.028 0.000 0.999 66 F HN 0.108 nan 8.300 nan 0.000 0.475 67 E N -0.045 120.254 120.200 0.164 0.000 2.085 67 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 67 E C 1.866 178.490 176.600 0.041 0.000 0.994 67 E CA 1.394 57.845 56.400 0.086 0.000 0.801 67 E CB -0.358 29.380 29.700 0.063 0.000 0.743 67 E HN 0.319 nan 8.360 nan 0.000 0.453 68 N N 0.544 119.251 118.700 0.013 0.000 2.120 68 N HA -0.155 4.585 4.740 -0.000 0.000 0.188 68 N C 1.745 177.245 175.510 -0.017 0.000 1.024 68 N CA 1.297 54.339 53.050 -0.013 0.000 0.852 68 N CB 0.005 38.469 38.487 -0.038 0.000 1.003 68 N HN 0.071 nan 8.380 nan 0.000 0.424 69 M N -0.749 118.838 119.600 -0.022 0.000 2.149 69 M HA -0.044 4.436 4.480 -0.000 0.000 0.261 69 M C 2.162 178.466 176.300 0.006 0.000 1.064 69 M CA 1.627 56.916 55.300 -0.019 0.000 1.102 69 M CB -0.522 32.065 32.600 -0.022 0.000 1.369 69 M HN 0.321 nan 8.290 nan 0.000 0.408 70 G N -0.022 108.794 108.800 0.026 0.000 2.421 70 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.216 70 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.216 70 G C 1.637 176.545 174.900 0.013 0.000 1.171 70 G CA 0.994 46.110 45.100 0.027 0.000 0.775 70 G HN 0.536 nan 8.290 nan 0.000 0.543 71 A N 0.047 122.872 122.820 0.008 0.000 1.877 71 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 71 A C 2.411 179.990 177.584 -0.008 0.000 1.186 71 A CA 2.016 54.053 52.037 -0.001 0.000 0.620 71 A CB -0.418 18.580 19.000 -0.003 0.000 0.822 71 A HN 0.307 nan 8.150 nan 0.000 0.443 72 Q N -0.624 119.169 119.800 -0.013 0.000 2.124 72 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 72 Q C 2.135 178.125 176.000 -0.016 0.000 0.977 72 Q CA 1.544 57.335 55.803 -0.019 0.000 0.850 72 Q CB -0.544 28.179 28.738 -0.024 0.000 0.901 72 Q HN 0.780 nan 8.270 nan 0.000 0.429 73 M N -0.192 119.403 119.600 -0.008 0.000 2.067 73 M HA -0.150 4.329 4.480 -0.000 0.000 0.260 73 M C 2.301 178.599 176.300 -0.003 0.000 1.069 73 M CA 1.649 56.947 55.300 -0.003 0.000 1.117 73 M CB -0.450 32.154 32.600 0.007 0.000 1.334 73 M HN 0.190 nan 8.290 nan 0.000 0.407 74 V N -0.585 119.329 119.914 -0.000 0.000 2.548 74 V HA -0.208 3.912 4.120 -0.000 0.000 0.249 74 V C 2.035 178.120 176.094 -0.015 0.000 1.055 74 V CA 1.916 64.216 62.300 0.001 0.000 1.065 74 V CB -0.627 31.200 31.823 0.007 0.000 0.681 74 V HN 0.451 nan 8.190 nan 0.000 0.462 75 K N 0.018 120.406 120.400 -0.020 0.000 2.063 75 K HA -0.239 4.081 4.320 -0.000 0.000 0.208 75 K C 2.326 178.897 176.600 -0.048 0.000 1.048 75 K CA 2.203 58.471 56.287 -0.031 0.000 0.928 75 K CB -0.282 32.201 32.500 -0.029 0.000 0.713 75 K HN 0.715 nan 8.250 nan 0.000 0.442 76 E N -0.041 120.132 120.200 -0.045 0.000 2.015 76 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 76 E C 1.984 178.525 176.600 -0.099 0.000 0.991 76 E CA 1.746 58.110 56.400 -0.060 0.000 0.802 76 E CB -0.006 29.670 29.700 -0.041 0.000 0.759 76 E HN 0.291 nan 8.360 nan 0.000 0.447 77 V N -0.902 118.963 119.914 -0.081 0.000 2.626 77 V HA -0.070 4.049 4.120 -0.000 0.000 0.252 77 V C 2.202 178.162 176.094 -0.223 0.000 1.067 77 V CA 1.705 63.922 62.300 -0.137 0.000 1.081 77 V CB -0.672 31.162 31.823 0.018 0.000 0.686 77 V HN 0.282 nan 8.190 nan 0.000 0.468 78 A N 1.630 124.382 122.820 -0.114 0.000 1.933 78 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 78 A C 2.636 180.126 177.584 -0.155 0.000 1.175 78 A CA 2.439 54.419 52.037 -0.096 0.000 0.628 78 A CB -1.038 17.937 19.000 -0.043 0.000 0.814 78 A HN 1.000 nan 8.150 nan 0.000 0.444 79 S N 0.108 115.713 115.700 -0.157 0.000 2.382 79 S HA -0.191 4.279 4.470 -0.000 0.000 0.228 79 S C 1.803 176.266 174.600 -0.229 0.000 1.027 79 S CA 1.471 59.581 58.200 -0.150 0.000 0.991 79 S CB -0.451 62.682 63.200 -0.111 0.000 0.823 79 S HN 0.597 nan 8.310 nan 0.000 0.469 80 K N 1.486 121.656 120.400 -0.384 0.000 2.218 80 K HA -0.017 4.303 4.320 -0.000 0.000 0.205 80 K C 2.443 178.719 176.600 -0.539 0.000 1.046 80 K CA 1.172 57.124 56.287 -0.559 0.000 0.933 80 K CB -0.552 31.351 32.500 -0.995 0.000 0.728 80 K HN 0.564 nan 8.250 nan 0.000 0.454 81 A N 1.637 124.184 122.820 -0.456 0.000 1.873 81 A HA -0.205 4.115 4.320 -0.000 0.000 0.215 81 A C 1.924 179.477 177.584 -0.051 0.000 1.186 81 A CA 1.801 53.790 52.037 -0.081 0.000 0.616 81 A CB -0.600 18.420 19.000 0.034 0.000 0.823 81 A HN 0.270 nan 8.150 nan 0.000 0.442 82 N N 0.148 118.794 118.700 -0.089 0.000 2.166 82 N HA -0.134 4.606 4.740 -0.000 0.000 0.186 82 N C 1.160 176.610 175.510 -0.100 0.000 1.019 82 N CA 1.572 54.577 53.050 -0.075 0.000 0.856 82 N CB -0.168 38.275 38.487 -0.073 0.000 0.993 82 N HN 0.420 nan 8.380 nan 0.000 0.426 83 D N -0.275 120.055 120.400 -0.117 0.000 2.144 83 D HA -0.096 4.544 4.640 -0.000 0.000 0.199 83 D C 1.665 177.908 176.300 -0.095 0.000 0.984 83 D CA 1.147 55.076 54.000 -0.120 0.000 0.834 83 D CB -0.321 40.406 40.800 -0.122 0.000 0.955 83 D HN 0.374 nan 8.370 nan 0.000 0.465 84 A N 0.393 123.186 122.820 -0.046 0.000 1.930 84 A HA 0.252 4.572 4.320 -0.000 0.000 0.215 84 A C 2.005 179.590 177.584 0.001 0.000 1.176 84 A CA 1.613 53.656 52.037 0.009 0.000 0.632 84 A CB 0.041 19.108 19.000 0.112 0.000 0.819 84 A HN 0.225 nan 8.150 nan 0.000 0.445 85 A N -2.733 120.084 122.820 -0.005 0.000 2.508 85 A HA 0.475 4.795 4.320 -0.000 0.000 0.250 85 A C 1.544 179.118 177.584 -0.018 0.000 1.208 85 A CA 0.985 53.023 52.037 0.002 0.000 0.960 85 A CB -0.293 18.724 19.000 0.029 0.000 1.099 85 A HN 1.817 nan 8.150 nan 0.000 0.542 86 G N -0.573 108.181 108.800 -0.077 0.000 2.162 86 G HA2 -0.188 3.771 3.960 -0.000 0.000 0.260 86 G HA3 -0.188 3.771 3.960 -0.000 0.000 0.260 86 G C -0.144 174.744 174.900 -0.021 0.000 0.976 86 G CA 0.793 45.834 45.100 -0.098 0.000 0.655 86 G HN 0.968 nan 8.290 nan 0.000 0.533 87 D N -3.170 117.223 120.400 -0.012 0.000 2.755 87 D HA 0.573 5.213 4.640 -0.000 0.000 0.277 87 D C 0.779 177.083 176.300 0.007 0.000 1.261 87 D CA 1.433 55.434 54.000 0.002 0.000 0.759 87 D CB 0.213 41.023 40.800 0.016 0.000 1.279 87 D HN 1.416 nan 8.370 nan 0.000 0.420 88 G N -0.049 108.756 108.800 0.008 0.000 2.163 88 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.213 88 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.213 88 G C 1.066 175.973 174.900 0.012 0.000 0.991 88 G CA 0.725 45.835 45.100 0.017 0.000 0.653 88 G HN 0.560 nan 8.290 nan 0.000 0.518 89 T N 0.616 115.166 114.554 -0.006 0.000 2.777 89 T HA -0.032 4.317 4.350 -0.000 0.000 0.266 89 T C 2.603 177.298 174.700 -0.008 0.000 1.040 89 T CA 2.439 64.528 62.100 -0.018 0.000 1.141 89 T CB -0.238 68.609 68.868 -0.035 0.000 0.868 89 T HN 0.429 nan 8.240 nan 0.000 0.444 90 T N 1.305 115.857 114.554 -0.004 0.000 2.777 90 T HA -0.080 4.270 4.350 -0.000 0.000 0.266 90 T C 2.223 176.926 174.700 0.006 0.000 1.040 90 T CA 1.526 63.626 62.100 -0.001 0.000 1.141 90 T CB -0.594 68.273 68.868 -0.001 0.000 0.868 90 T HN 0.372 nan 8.240 nan 0.000 0.444 91 T N 2.208 116.768 114.554 0.010 0.000 2.684 91 T HA -0.093 4.257 4.350 -0.000 0.000 0.267 91 T C 2.399 177.112 174.700 0.022 0.000 1.036 91 T CA 1.299 63.408 62.100 0.016 0.000 1.148 91 T CB -0.637 68.243 68.868 0.019 0.000 0.863 91 T HN 0.429 nan 8.240 nan 0.000 0.436 92 A N 1.190 124.027 122.820 0.029 0.000 1.940 92 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 92 A C 2.543 180.145 177.584 0.031 0.000 1.176 92 A CA 2.240 54.303 52.037 0.043 0.000 0.631 92 A CB -1.258 17.776 19.000 0.057 0.000 0.814 92 A HN 0.507 nan 8.150 nan 0.000 0.446 93 T N -0.459 114.105 114.554 0.016 0.000 2.701 93 T HA -0.127 4.223 4.350 -0.000 0.000 0.263 93 T C 2.022 176.729 174.700 0.012 0.000 1.040 93 T CA 1.906 64.013 62.100 0.011 0.000 1.147 93 T CB -0.775 68.094 68.868 0.002 0.000 0.865 93 T HN 0.680 nan 8.240 nan 0.000 0.426 94 V N 0.948 120.868 119.914 0.011 0.000 2.490 94 V HA -0.047 4.073 4.120 -0.000 0.000 0.250 94 V C 2.167 178.269 176.094 0.013 0.000 1.061 94 V CA 1.439 63.745 62.300 0.011 0.000 1.064 94 V CB -0.951 30.877 31.823 0.009 0.000 0.670 94 V HN 0.472 nan 8.190 nan 0.000 0.461 95 L N 0.483 121.716 121.223 0.018 0.000 2.017 95 L HA -0.042 4.298 4.340 -0.000 0.000 0.208 95 L C 3.063 179.945 176.870 0.020 0.000 1.073 95 L CA 1.779 56.630 54.840 0.020 0.000 0.745 95 L CB -0.937 41.137 42.059 0.025 0.000 0.894 95 L HN 0.457 nan 8.230 nan 0.000 0.432 96 A N -0.554 122.280 122.820 0.024 0.000 1.908 96 A HA -0.306 4.014 4.320 -0.000 0.000 0.218 96 A C 2.244 179.838 177.584 0.018 0.000 1.181 96 A CA 1.994 54.045 52.037 0.024 0.000 0.627 96 A CB -0.640 18.376 19.000 0.027 0.000 0.818 96 A HN 0.524 nan 8.150 nan 0.000 0.445 97 Q N -0.508 119.301 119.800 0.014 0.000 2.061 97 Q HA -0.158 4.182 4.340 -0.000 0.000 0.204 97 Q C 2.209 178.215 176.000 0.011 0.000 0.984 97 Q CA 1.804 57.614 55.803 0.012 0.000 0.846 97 Q CB -0.376 28.367 28.738 0.009 0.000 0.902 97 Q HN 0.597 nan 8.270 nan 0.000 0.421 98 A N 0.915 123.742 122.820 0.011 0.000 1.883 98 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 98 A C 2.021 179.611 177.584 0.010 0.000 1.186 98 A CA 1.594 53.637 52.037 0.010 0.000 0.624 98 A CB -0.761 18.245 19.000 0.010 0.000 0.822 98 A HN 0.501 nan 8.150 nan 0.000 0.444 99 I N -0.361 120.216 120.570 0.012 0.000 2.179 99 I HA -0.259 3.911 4.170 -0.000 0.000 0.242 99 I C 2.348 178.472 176.117 0.011 0.000 1.088 99 I CA 1.431 62.738 61.300 0.012 0.000 1.357 99 I CB -0.438 37.570 38.000 0.014 0.000 1.051 99 I HN 0.297 nan 8.210 nan 0.000 0.409 100 I N 0.447 121.024 120.570 0.013 0.000 2.208 100 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 100 I C 2.586 178.709 176.117 0.010 0.000 1.097 100 I CA 1.605 62.913 61.300 0.012 0.000 1.363 100 I CB -0.655 37.354 38.000 0.014 0.000 1.051 100 I HN 0.279 nan 8.210 nan 0.000 0.413 101 T N 0.164 114.723 114.554 0.009 0.000 2.643 101 T HA -0.154 4.196 4.350 -0.000 0.000 0.264 101 T C 1.838 176.542 174.700 0.006 0.000 1.045 101 T CA 1.261 63.366 62.100 0.007 0.000 1.155 101 T CB -0.184 68.688 68.868 0.007 0.000 0.863 101 T HN 0.268 nan 8.240 nan 0.000 0.420 102 E N 0.746 120.950 120.200 0.006 0.000 2.110 102 E HA -0.030 4.320 4.350 -0.000 0.000 0.193 102 E C 2.509 179.112 176.600 0.006 0.000 0.988 102 E CA 1.053 57.457 56.400 0.006 0.000 0.804 102 E CB -0.888 28.815 29.700 0.006 0.000 0.745 102 E HN 0.570 nan 8.360 nan 0.000 0.458 103 G N 1.288 110.093 108.800 0.007 0.000 2.421 103 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 103 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 103 G C 1.720 176.624 174.900 0.007 0.000 1.171 103 G CA 0.527 45.631 45.100 0.007 0.000 0.775 103 G HN 0.198 nan 8.290 nan 0.000 0.543 104 L N -0.154 121.073 121.223 0.007 0.000 2.141 104 L HA -0.031 4.309 4.340 -0.000 0.000 0.209 104 L C 2.944 179.817 176.870 0.005 0.000 1.094 104 L CA 0.941 55.785 54.840 0.007 0.000 0.763 104 L CB -0.314 41.749 42.059 0.006 0.000 0.908 104 L HN 0.195 nan 8.230 nan 0.000 0.437 105 K N 0.240 120.643 120.400 0.005 0.000 2.009 105 K HA -0.188 4.131 4.320 -0.000 0.000 0.210 105 K C 2.254 178.856 176.600 0.003 0.000 1.049 105 K CA 1.537 57.826 56.287 0.003 0.000 0.929 105 K CB -0.221 32.281 32.500 0.003 0.000 0.714 105 K HN 0.281 nan 8.250 nan 0.000 0.440 106 A N 0.967 123.789 122.820 0.004 0.000 1.883 106 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 106 A C 2.347 179.934 177.584 0.004 0.000 1.186 106 A CA 1.646 53.686 52.037 0.004 0.000 0.624 106 A CB -0.746 18.257 19.000 0.004 0.000 0.822 106 A HN 0.106 nan 8.150 nan 0.000 0.444 107 V N -0.164 119.754 119.914 0.005 0.000 2.332 107 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 107 V C 3.030 179.127 176.094 0.005 0.000 1.055 107 V CA 2.020 64.324 62.300 0.006 0.000 1.038 107 V CB -1.241 30.587 31.823 0.008 0.000 0.651 107 V HN 0.629 nan 8.190 nan 0.000 0.450 108 A N -0.057 122.765 122.820 0.004 0.000 1.969 108 A HA -0.009 4.311 4.320 -0.000 0.000 0.218 108 A C 2.259 179.844 177.584 0.002 0.000 1.169 108 A CA 1.623 53.661 52.037 0.002 0.000 0.635 108 A CB -0.609 18.392 19.000 0.001 0.000 0.810 108 A HN 0.598 nan 8.150 nan 0.000 0.445 109 A N -1.627 121.194 122.820 0.002 0.000 2.239 109 A HA 0.376 4.695 4.320 -0.000 0.000 0.209 109 A C 1.774 179.359 177.584 0.001 0.000 1.171 109 A CA 1.284 53.322 52.037 0.001 0.000 0.768 109 A CB -1.058 17.943 19.000 0.001 0.000 0.790 109 A HN 1.893 nan 8.150 nan 0.000 0.478 110 G N -1.914 106.887 108.800 0.002 0.000 2.141 110 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.242 110 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.242 110 G C 0.164 175.066 174.900 0.002 0.000 0.982 110 G CA 0.294 45.395 45.100 0.002 0.000 0.662 110 G HN 0.405 nan 8.290 nan 0.000 0.527 111 M N 0.507 120.109 119.600 0.003 0.000 2.255 111 M HA 0.225 4.705 4.480 -0.000 0.000 0.336 111 M C 0.755 177.058 176.300 0.005 0.000 1.135 111 M CA -0.528 54.774 55.300 0.003 0.000 1.145 111 M CB 0.483 33.085 32.600 0.003 0.000 1.473 111 M HN 0.173 nan 8.290 nan 0.000 0.462 112 N N 2.565 121.268 118.700 0.005 0.000 2.431 112 N HA 0.076 4.816 4.740 -0.000 0.000 0.265 112 N C -2.113 173.401 175.510 0.007 0.000 1.184 112 N CA -1.173 51.880 53.050 0.006 0.000 0.943 112 N CB 1.163 39.653 38.487 0.005 0.000 1.080 112 N HN 0.285 nan 8.380 nan 0.000 0.477 113 P HA -0.155 nan 4.420 nan 0.000 0.215 113 P C 1.687 178.993 177.300 0.009 0.000 1.157 113 P CA 1.473 64.579 63.100 0.010 0.000 0.874 113 P CB 0.192 31.900 31.700 0.013 0.000 0.790 114 M N -0.885 118.720 119.600 0.009 0.000 2.159 114 M HA -0.139 4.341 4.480 -0.000 0.000 0.263 114 M C 1.543 177.846 176.300 0.006 0.000 1.063 114 M CA 1.648 56.953 55.300 0.008 0.000 1.110 114 M CB -1.750 30.855 32.600 0.008 0.000 1.374 114 M HN 0.007 nan 8.290 nan 0.000 0.411 115 D N 0.381 120.785 120.400 0.005 0.000 2.149 115 D HA -0.031 4.609 4.640 -0.000 0.000 0.201 115 D C 2.325 178.628 176.300 0.004 0.000 0.972 115 D CA 0.912 54.914 54.000 0.004 0.000 0.835 115 D CB -0.067 40.736 40.800 0.004 0.000 0.966 115 D HN 0.328 nan 8.370 nan 0.000 0.476 116 L N 0.911 122.137 121.223 0.005 0.000 2.042 116 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 116 L C 2.560 179.433 176.870 0.005 0.000 1.076 116 L CA 1.160 56.003 54.840 0.005 0.000 0.749 116 L CB -0.320 41.743 42.059 0.006 0.000 0.893 116 L HN -0.018 nan 8.230 nan 0.000 0.432 117 K N 0.417 120.821 120.400 0.006 0.000 2.026 117 K HA -0.229 4.091 4.320 -0.000 0.000 0.208 117 K C 2.349 178.951 176.600 0.003 0.000 1.048 117 K CA 1.382 57.672 56.287 0.005 0.000 0.929 117 K CB -0.050 32.454 32.500 0.007 0.000 0.713 117 K HN 0.072 nan 8.250 nan 0.000 0.439 118 R N -0.232 120.269 120.500 0.002 0.000 2.105 118 R HA -0.108 4.232 4.340 -0.000 0.000 0.239 118 R C 2.297 178.597 176.300 -0.000 0.000 1.135 118 R CA 1.726 57.827 56.100 0.001 0.000 0.967 118 R CB -0.507 29.794 30.300 0.001 0.000 0.861 118 R HN 0.433 nan 8.270 nan 0.000 0.442 119 G N 0.529 109.330 108.800 0.001 0.000 2.402 119 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.216 119 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.216 119 G C 1.419 176.319 174.900 0.001 0.000 1.162 119 G CA 0.700 45.801 45.100 0.001 0.000 0.777 119 G HN 0.248 nan 8.290 nan 0.000 0.539 120 I N 0.984 121.555 120.570 0.001 0.000 2.179 120 I HA -0.134 4.036 4.170 -0.000 0.000 0.242 120 I C 2.290 178.406 176.117 -0.002 0.000 1.088 120 I CA 1.177 62.477 61.300 0.001 0.000 1.357 120 I CB -0.182 37.820 38.000 0.003 0.000 1.051 120 I HN 0.046 nan 8.210 nan 0.000 0.409 121 D N 0.892 121.290 120.400 -0.004 0.000 2.117 121 D HA -0.219 4.421 4.640 -0.000 0.000 0.197 121 D C 2.054 178.349 176.300 -0.009 0.000 0.987 121 D CA 1.240 55.234 54.000 -0.009 0.000 0.829 121 D CB -0.236 40.559 40.800 -0.009 0.000 0.961 121 D HN 0.271 nan 8.370 nan 0.000 0.460 122 K N 0.742 121.138 120.400 -0.006 0.000 2.032 122 K HA -0.148 4.172 4.320 -0.000 0.000 0.209 122 K C 2.060 178.657 176.600 -0.005 0.000 1.048 122 K CA 1.475 57.758 56.287 -0.005 0.000 0.927 122 K CB -0.101 32.397 32.500 -0.003 0.000 0.712 122 K HN 0.025 nan 8.250 nan 0.000 0.441 123 A N 0.541 123.360 122.820 -0.003 0.000 1.908 123 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 123 A C 2.254 179.836 177.584 -0.004 0.000 1.181 123 A CA 1.855 53.891 52.037 -0.002 0.000 0.627 123 A CB -0.697 18.303 19.000 0.001 0.000 0.818 123 A HN 0.200 nan 8.150 nan 0.000 0.445 124 V N -0.404 119.505 119.914 -0.007 0.000 2.307 124 V HA -0.222 3.898 4.120 -0.000 0.000 0.245 124 V C 2.749 178.833 176.094 -0.016 0.000 1.045 124 V CA 2.449 64.742 62.300 -0.012 0.000 1.024 124 V CB -1.316 30.495 31.823 -0.019 0.000 0.651 124 V HN 0.615 nan 8.190 nan 0.000 0.449 125 T N 0.676 115.220 114.554 -0.017 0.000 2.635 125 T HA -0.238 4.112 4.350 -0.000 0.000 0.267 125 T C 2.063 176.756 174.700 -0.012 0.000 1.040 125 T CA 1.877 63.966 62.100 -0.017 0.000 1.156 125 T CB -0.530 68.329 68.868 -0.015 0.000 0.863 125 T HN 0.576 nan 8.240 nan 0.000 0.430 126 A N 1.346 124.161 122.820 -0.007 0.000 1.933 126 A HA 0.130 4.450 4.320 -0.000 0.000 0.218 126 A C 2.635 180.218 177.584 -0.002 0.000 1.175 126 A CA 1.894 53.929 52.037 -0.003 0.000 0.628 126 A CB -1.064 17.935 19.000 -0.001 0.000 0.814 126 A HN 0.528 nan 8.150 nan 0.000 0.444 127 A N -0.623 122.195 122.820 -0.003 0.000 1.930 127 A HA 0.025 4.345 4.320 -0.000 0.000 0.217 127 A C 2.189 179.771 177.584 -0.002 0.000 1.175 127 A CA 1.688 53.725 52.037 -0.000 0.000 0.627 127 A CB -0.823 18.177 19.000 -0.000 0.000 0.815 127 A HN 0.390 nan 8.150 nan 0.000 0.443 128 V N 0.292 120.201 119.914 -0.008 0.000 2.427 128 V HA -0.189 3.931 4.120 -0.000 0.000 0.248 128 V C 2.539 178.629 176.094 -0.006 0.000 1.051 128 V CA 2.051 64.345 62.300 -0.011 0.000 1.048 128 V CB -0.679 31.132 31.823 -0.021 0.000 0.666 128 V HN 0.488 nan 8.190 nan 0.000 0.456 129 E N 0.012 120.209 120.200 -0.005 0.000 2.047 129 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 129 E C 2.206 178.808 176.600 0.003 0.000 0.987 129 E CA 1.056 57.456 56.400 -0.001 0.000 0.799 129 E CB -0.366 29.333 29.700 -0.001 0.000 0.752 129 E HN 0.539 nan 8.360 nan 0.000 0.449 130 E N 0.488 120.691 120.200 0.004 0.000 2.209 130 E HA -0.142 4.208 4.350 -0.000 0.000 0.196 130 E C 1.799 178.405 176.600 0.010 0.000 0.993 130 E CA 0.313 56.718 56.400 0.008 0.000 0.819 130 E CB -0.190 29.515 29.700 0.009 0.000 0.745 130 E HN 0.051 nan 8.360 nan 0.000 0.477 131 L N 0.388 121.616 121.223 0.008 0.000 2.156 131 L HA -0.046 4.294 4.340 -0.000 0.000 0.208 131 L C 1.696 178.571 176.870 0.009 0.000 1.095 131 L CA 1.663 56.508 54.840 0.009 0.000 0.770 131 L CB -0.215 41.848 42.059 0.005 0.000 0.914 131 L HN -0.003 nan 8.230 nan 0.000 0.439 132 K N -1.079 119.325 120.400 0.006 0.000 2.097 132 K HA -0.029 4.291 4.320 -0.000 0.000 0.205 132 K C 2.073 178.679 176.600 0.009 0.000 1.050 132 K CA 1.109 57.400 56.287 0.007 0.000 0.938 132 K CB -0.246 32.257 32.500 0.004 0.000 0.718 132 K HN 0.338 nan 8.250 nan 0.000 0.442 133 A N 1.598 124.423 122.820 0.010 0.000 1.930 133 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 133 A C 2.006 179.598 177.584 0.015 0.000 1.175 133 A CA 0.944 52.988 52.037 0.011 0.000 0.627 133 A CB -0.453 18.554 19.000 0.011 0.000 0.815 133 A HN 0.211 nan 8.150 nan 0.000 0.443 134 L N 0.080 121.313 121.223 0.017 0.000 2.217 134 L HA 0.021 4.361 4.340 -0.000 0.000 0.211 134 L C 1.278 178.160 176.870 0.020 0.000 1.107 134 L CA 1.329 56.182 54.840 0.021 0.000 0.783 134 L CB -1.093 40.980 42.059 0.024 0.000 0.919 134 L HN 0.389 nan 8.230 nan 0.000 0.442 135 S N -0.344 115.366 115.700 0.016 0.000 2.558 135 S HA 0.143 4.613 4.470 -0.000 0.000 0.288 135 S C -0.157 174.452 174.600 0.015 0.000 1.318 135 S CA -0.362 57.847 58.200 0.015 0.000 1.056 135 S CB 0.613 63.820 63.200 0.012 0.000 0.853 135 S HN 0.086 nan 8.310 nan 0.000 0.505 136 V N 7.744 127.667 119.914 0.015 0.000 2.459 136 V HA 0.431 4.551 4.120 -0.000 0.000 0.295 136 V C -2.131 173.970 176.094 0.012 0.000 1.029 136 V CA -1.887 60.422 62.300 0.014 0.000 0.874 136 V CB 1.591 33.423 31.823 0.015 0.000 0.985 136 V HN 0.777 nan 8.190 nan 0.000 0.438 137 P HA 0.182 nan 4.420 nan 0.000 0.272 137 P C -0.784 176.522 177.300 0.010 0.000 1.223 137 P CA -0.229 62.877 63.100 0.010 0.000 0.784 137 P CB 0.484 32.190 31.700 0.010 0.000 0.923 138 C N 2.519 121.825 119.300 0.010 0.000 2.978 138 C HA 0.476 4.936 4.460 -0.000 0.000 0.274 138 C C 0.988 175.983 174.990 0.008 0.000 1.087 138 C CA 0.152 59.176 59.018 0.009 0.000 1.453 138 C CB -1.343 26.403 27.740 0.010 0.000 1.838 138 C HN 0.567 nan 8.230 nan 0.000 0.470 139 S N 1.608 117.312 115.700 0.007 0.000 2.979 139 S HA 0.135 4.605 4.470 -0.000 0.000 0.243 139 S C 0.260 174.863 174.600 0.006 0.000 1.036 139 S CA 0.093 58.297 58.200 0.007 0.000 0.846 139 S CB -0.237 62.968 63.200 0.007 0.000 0.806 139 S HN 0.938 nan 8.310 nan 0.000 0.568 140 D N 2.798 123.201 120.400 0.005 0.000 2.472 140 D HA 0.006 4.645 4.640 -0.000 0.000 0.237 140 D C 0.979 177.281 176.300 0.003 0.000 1.141 140 D CA 0.546 54.548 54.000 0.004 0.000 0.875 140 D CB 0.858 41.660 40.800 0.004 0.000 1.192 140 D HN 0.289 nan 8.370 nan 0.000 0.450 141 S N 1.600 117.301 115.700 0.002 0.000 2.500 141 S HA -0.244 4.226 4.470 -0.000 0.000 0.239 141 S C 1.565 176.166 174.600 0.001 0.000 0.989 141 S CA 0.894 59.094 58.200 0.001 0.000 0.951 141 S CB -0.293 62.907 63.200 0.000 0.000 0.759 141 S HN 0.663 nan 8.310 nan 0.000 0.523 142 K N 1.526 121.927 120.400 0.001 0.000 2.097 142 K HA 0.039 4.359 4.320 -0.000 0.000 0.205 142 K C 2.275 178.876 176.600 0.001 0.000 1.050 142 K CA 1.061 57.349 56.287 0.001 0.000 0.938 142 K CB -0.542 31.959 32.500 0.002 0.000 0.718 142 K HN 0.445 nan 8.250 nan 0.000 0.442 143 A N 1.529 124.351 122.820 0.002 0.000 1.872 143 A HA -0.073 4.247 4.320 -0.000 0.000 0.214 143 A C 2.057 179.643 177.584 0.002 0.000 1.187 143 A CA 1.138 53.177 52.037 0.003 0.000 0.614 143 A CB -0.527 18.476 19.000 0.005 0.000 0.826 143 A HN 0.315 nan 8.150 nan 0.000 0.442 144 I N 0.001 120.572 120.570 0.002 0.000 2.194 144 I HA -0.353 3.817 4.170 -0.000 0.000 0.246 144 I C 2.935 179.051 176.117 -0.001 0.000 1.093 144 I CA 1.248 62.549 61.300 0.001 0.000 1.355 144 I CB -0.405 37.595 38.000 0.001 0.000 1.046 144 I HN 0.388 nan 8.210 nan 0.000 0.413 145 A N 0.362 123.181 122.820 -0.002 0.000 1.873 145 A HA -0.229 4.091 4.320 -0.000 0.000 0.215 145 A C 2.260 179.842 177.584 -0.004 0.000 1.186 145 A CA 1.409 53.443 52.037 -0.004 0.000 0.616 145 A CB -0.583 18.415 19.000 -0.004 0.000 0.823 145 A HN 0.484 nan 8.150 nan 0.000 0.442 146 Q N -0.368 119.431 119.800 -0.002 0.000 2.084 146 Q HA -0.125 4.215 4.340 -0.000 0.000 0.202 146 Q C 2.142 178.141 176.000 -0.002 0.000 0.978 146 Q CA 1.679 57.481 55.803 -0.002 0.000 0.844 146 Q CB -0.470 28.267 28.738 -0.000 0.000 0.898 146 Q HN 0.477 nan 8.270 nan 0.000 0.426 147 V N 0.824 120.737 119.914 -0.000 0.000 2.261 147 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 147 V C 2.316 178.409 176.094 -0.001 0.000 1.047 147 V CA 2.065 64.365 62.300 0.001 0.000 1.015 147 V CB -1.283 30.543 31.823 0.004 0.000 0.642 147 V HN 0.562 nan 8.190 nan 0.000 0.446 148 G N -0.561 108.237 108.800 -0.003 0.000 2.442 148 G HA2 -0.256 3.703 3.960 -0.000 0.000 0.219 148 G HA3 -0.256 3.703 3.960 -0.000 0.000 0.219 148 G C 1.674 176.569 174.900 -0.009 0.000 1.141 148 G CA 1.640 46.735 45.100 -0.008 0.000 0.763 148 G HN 0.489 nan 8.290 nan 0.000 0.554 149 T N 1.226 115.775 114.554 -0.008 0.000 2.777 149 T HA -0.002 4.348 4.350 -0.000 0.000 0.266 149 T C 2.390 177.085 174.700 -0.009 0.000 1.040 149 T CA 0.883 62.978 62.100 -0.009 0.000 1.141 149 T CB -0.117 68.746 68.868 -0.008 0.000 0.868 149 T HN 0.269 nan 8.240 nan 0.000 0.444 150 I N 1.336 121.902 120.570 -0.007 0.000 2.252 150 I HA -0.145 4.025 4.170 -0.000 0.000 0.245 150 I C 2.546 178.658 176.117 -0.007 0.000 1.102 150 I CA 0.970 62.266 61.300 -0.008 0.000 1.385 150 I CB -0.351 37.645 38.000 -0.007 0.000 1.064 150 I HN 0.189 nan 8.210 nan 0.000 0.414 151 S N 0.925 116.622 115.700 -0.005 0.000 2.428 151 S HA -0.007 4.463 4.470 -0.000 0.000 0.230 151 S C 1.939 176.535 174.600 -0.005 0.000 1.014 151 S CA 0.996 59.195 58.200 -0.002 0.000 0.957 151 S CB -0.197 63.005 63.200 0.002 0.000 0.784 151 S HN 0.508 nan 8.310 nan 0.000 0.499 152 A N 1.274 124.088 122.820 -0.009 0.000 2.276 152 A HA 0.293 4.613 4.320 -0.000 0.000 0.212 152 A C 0.769 178.347 177.584 -0.010 0.000 1.230 152 A CA 0.170 52.200 52.037 -0.011 0.000 0.844 152 A CB -0.729 18.263 19.000 -0.014 0.000 0.860 152 A HN 0.484 nan 8.150 nan 0.000 0.486 153 N N -1.259 117.436 118.700 -0.009 0.000 2.816 153 N HA -0.204 4.535 4.740 -0.000 0.000 0.247 153 N C 0.157 175.661 175.510 -0.011 0.000 1.100 153 N CA 1.042 54.086 53.050 -0.011 0.000 0.687 153 N CB -1.894 36.587 38.487 -0.010 0.000 1.003 153 N HN 0.436 nan 8.380 nan 0.000 0.554 154 S N -1.518 114.175 115.700 -0.011 0.000 3.482 154 S HA -0.218 4.252 4.470 -0.000 0.000 0.294 154 S C -0.443 174.151 174.600 -0.010 0.000 1.244 154 S CA 0.791 58.984 58.200 -0.011 0.000 0.911 154 S CB -1.041 62.151 63.200 -0.012 0.000 1.070 154 S HN 0.727 nan 8.310 nan 0.000 0.614 155 D N 1.280 121.674 120.400 -0.010 0.000 2.441 155 D HA 0.274 4.914 4.640 -0.000 0.000 0.221 155 D C 1.075 177.369 176.300 -0.010 0.000 1.156 155 D CA -0.280 53.714 54.000 -0.010 0.000 0.896 155 D CB 0.535 41.328 40.800 -0.011 0.000 1.028 155 D HN 0.470 nan 8.370 nan 0.000 0.509 156 E N 1.112 121.307 120.200 -0.009 0.000 2.160 156 E HA -0.164 4.186 4.350 -0.000 0.000 0.195 156 E C 1.519 178.114 176.600 -0.009 0.000 0.991 156 E CA 1.256 57.652 56.400 -0.008 0.000 0.810 156 E CB 0.248 29.944 29.700 -0.007 0.000 0.742 156 E HN 0.474 nan 8.360 nan 0.000 0.466 157 T N 0.670 115.218 114.554 -0.009 0.000 2.684 157 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 157 T C 2.092 176.785 174.700 -0.012 0.000 1.036 157 T CA 1.378 63.472 62.100 -0.010 0.000 1.148 157 T CB -0.256 68.606 68.868 -0.010 0.000 0.863 157 T HN 0.014 nan 8.240 nan 0.000 0.436 158 V N 1.404 121.310 119.914 -0.014 0.000 2.358 158 V HA -0.076 4.044 4.120 -0.000 0.000 0.246 158 V C 2.881 178.965 176.094 -0.017 0.000 1.047 158 V CA 1.850 64.140 62.300 -0.017 0.000 1.035 158 V CB -1.462 30.350 31.823 -0.019 0.000 0.658 158 V HN 0.593 nan 8.190 nan 0.000 0.452 159 G N -0.205 108.587 108.800 -0.013 0.000 2.421 159 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.216 159 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.216 159 G C 1.633 176.526 174.900 -0.011 0.000 1.171 159 G CA 1.154 46.247 45.100 -0.011 0.000 0.775 159 G HN 0.489 nan 8.290 nan 0.000 0.543 160 K N -0.026 120.369 120.400 -0.010 0.000 2.009 160 K HA -0.024 4.296 4.320 -0.000 0.000 0.210 160 K C 2.571 179.164 176.600 -0.010 0.000 1.049 160 K CA 1.147 57.429 56.287 -0.009 0.000 0.929 160 K CB -0.375 32.120 32.500 -0.008 0.000 0.714 160 K HN 0.316 nan 8.250 nan 0.000 0.440 161 L N 1.004 122.219 121.223 -0.013 0.000 1.978 161 L HA -0.276 4.064 4.340 -0.000 0.000 0.218 161 L C 2.495 179.355 176.870 -0.016 0.000 1.075 161 L CA 1.680 56.511 54.840 -0.015 0.000 0.767 161 L CB -0.370 41.678 42.059 -0.018 0.000 0.890 161 L HN 0.315 nan 8.230 nan 0.000 0.434 162 I N -0.861 119.698 120.570 -0.019 0.000 2.226 162 I HA -0.304 3.866 4.170 -0.000 0.000 0.245 162 I C 2.726 178.835 176.117 -0.013 0.000 1.100 162 I CA 1.129 62.417 61.300 -0.020 0.000 1.374 162 I CB -0.519 37.467 38.000 -0.023 0.000 1.057 162 I HN 0.264 nan 8.210 nan 0.000 0.413 163 A N 0.764 123.578 122.820 -0.010 0.000 1.877 163 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 163 A C 2.208 179.789 177.584 -0.006 0.000 1.186 163 A CA 1.749 53.782 52.037 -0.007 0.000 0.620 163 A CB -0.597 18.400 19.000 -0.005 0.000 0.822 163 A HN 0.471 nan 8.150 nan 0.000 0.443 164 E N -0.128 120.067 120.200 -0.007 0.000 2.077 164 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 164 E C 2.296 178.892 176.600 -0.007 0.000 0.989 164 E CA 0.937 57.333 56.400 -0.006 0.000 0.800 164 E CB -0.323 29.373 29.700 -0.007 0.000 0.746 164 E HN 0.614 nan 8.360 nan 0.000 0.452 165 A N 1.315 124.130 122.820 -0.009 0.000 1.902 165 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 165 A C 2.172 179.753 177.584 -0.006 0.000 1.181 165 A CA 1.280 53.312 52.037 -0.009 0.000 0.623 165 A CB -0.405 18.586 19.000 -0.014 0.000 0.818 165 A HN 0.132 nan 8.150 nan 0.000 0.443 166 M N -1.030 118.567 119.600 -0.006 0.000 2.319 166 M HA -0.116 4.364 4.480 -0.000 0.000 0.265 166 M C 1.771 178.071 176.300 -0.001 0.000 1.068 166 M CA 1.691 56.990 55.300 -0.002 0.000 1.118 166 M CB -0.405 32.194 32.600 -0.001 0.000 1.395 166 M HN 0.502 nan 8.290 nan 0.000 0.435 167 D N 0.631 121.030 120.400 -0.002 0.000 2.144 167 D HA -0.135 4.505 4.640 -0.000 0.000 0.200 167 D C 2.021 178.321 176.300 -0.001 0.000 0.978 167 D CA 1.164 55.164 54.000 -0.001 0.000 0.833 167 D CB 0.246 41.045 40.800 -0.002 0.000 0.961 167 D HN -0.020 nan 8.370 nan 0.000 0.470 168 K N -0.055 120.344 120.400 -0.002 0.000 2.001 168 K HA -0.059 4.261 4.320 -0.000 0.000 0.208 168 K C 2.072 178.672 176.600 -0.000 0.000 1.048 168 K CA 1.447 57.733 56.287 -0.001 0.000 0.932 168 K CB -0.445 32.053 32.500 -0.003 0.000 0.715 168 K HN 0.311 nan 8.250 nan 0.000 0.437 169 V N -3.080 116.835 119.914 0.001 0.000 3.650 169 V HA 0.343 4.463 4.120 -0.000 0.000 0.271 169 V C 0.746 176.842 176.094 0.004 0.000 1.281 169 V CA 0.329 62.630 62.300 0.002 0.000 1.120 169 V CB -0.379 31.446 31.823 0.003 0.000 0.856 169 V HN 0.380 nan 8.190 nan 0.000 0.443 170 G N 1.080 109.882 108.800 0.003 0.000 2.707 170 G HA2 -0.151 3.808 3.960 -0.000 0.000 0.686 170 G HA3 -0.151 3.808 3.960 -0.000 0.000 0.686 170 G C 0.137 175.041 174.900 0.006 0.000 1.315 170 G CA -0.060 45.042 45.100 0.005 0.000 0.832 170 G HN 0.159 nan 8.290 nan 0.000 0.573 171 K N 0.219 120.623 120.400 0.007 0.000 2.103 171 K HA -0.074 4.246 4.320 -0.000 0.000 0.207 171 K C 1.933 178.540 176.600 0.012 0.000 1.048 171 K CA 1.927 58.219 56.287 0.009 0.000 0.930 171 K CB -0.110 32.396 32.500 0.010 0.000 0.716 171 K HN 0.640 nan 8.250 nan 0.000 0.444 172 E N 0.465 120.672 120.200 0.012 0.000 2.489 172 E HA 0.060 4.410 4.350 -0.000 0.000 0.193 172 E C 1.017 177.625 176.600 0.014 0.000 1.057 172 E CA -0.016 56.393 56.400 0.014 0.000 0.866 172 E CB -0.086 29.622 29.700 0.013 0.000 0.916 172 E HN 0.220 nan 8.360 nan 0.000 0.500 173 G N 0.896 109.703 108.800 0.012 0.000 2.667 173 G HA2 0.217 4.177 3.960 -0.000 0.000 0.250 173 G HA3 0.217 4.177 3.960 -0.000 0.000 0.250 173 G C -0.029 174.879 174.900 0.013 0.000 1.212 173 G CA -0.445 44.662 45.100 0.011 0.000 0.874 173 G HN -0.002 nan 8.290 nan 0.000 0.561 174 V N 1.343 121.266 119.914 0.014 0.000 2.364 174 V HA 0.333 4.453 4.120 -0.000 0.000 0.272 174 V C 0.226 176.324 176.094 0.008 0.000 1.036 174 V CA -0.211 62.098 62.300 0.014 0.000 0.880 174 V CB 0.753 32.587 31.823 0.019 0.000 0.991 174 V HN 0.447 nan 8.190 nan 0.000 0.460 175 I N 4.133 124.706 120.570 0.004 0.000 2.441 175 I HA 0.541 4.711 4.170 -0.000 0.000 0.295 175 I C 0.191 176.301 176.117 -0.012 0.000 0.994 175 I CA -0.142 61.154 61.300 -0.007 0.000 1.144 175 I CB 2.198 40.190 38.000 -0.015 0.000 1.314 175 I HN 0.487 nan 8.210 nan 0.000 0.445 176 T N 4.738 119.283 114.554 -0.014 0.000 2.908 176 T HA 0.622 4.972 4.350 -0.000 0.000 0.290 176 T C -0.644 174.041 174.700 -0.025 0.000 1.034 176 T CA -0.510 61.581 62.100 -0.016 0.000 1.010 176 T CB 2.480 71.343 68.868 -0.007 0.000 1.068 176 T HN 0.208 nan 8.240 nan 0.000 0.481 177 V N 2.464 122.362 119.914 -0.027 0.000 2.588 177 V HA 0.570 4.690 4.120 -0.000 0.000 0.304 177 V C -0.493 175.590 176.094 -0.019 0.000 1.042 177 V CA -0.762 61.520 62.300 -0.030 0.000 0.877 177 V CB 1.859 33.654 31.823 -0.047 0.000 0.996 177 V HN 0.901 nan 8.190 nan 0.000 0.425 178 E N 1.749 121.939 120.200 -0.017 0.000 2.416 178 E HA 0.407 4.757 4.350 -0.000 0.000 0.273 178 E C -1.551 175.042 176.600 -0.012 0.000 0.935 178 E CA -1.084 55.309 56.400 -0.012 0.000 0.784 178 E CB 1.878 31.572 29.700 -0.011 0.000 1.301 178 E HN 0.596 nan 8.360 nan 0.000 0.454 179 D N 0.929 121.323 120.400 -0.009 0.000 2.449 179 D HA 0.119 4.759 4.640 -0.000 0.000 0.236 179 D C 0.133 176.427 176.300 -0.009 0.000 1.149 179 D CA 0.492 54.487 54.000 -0.009 0.000 0.878 179 D CB 0.872 41.667 40.800 -0.007 0.000 1.198 179 D HN 0.486 nan 8.370 nan 0.000 0.446 180 G N -0.481 108.313 108.800 -0.009 0.000 2.476 180 G HA2 0.269 4.229 3.960 -0.000 0.000 0.286 180 G HA3 0.269 4.229 3.960 -0.000 0.000 0.286 180 G C 1.102 175.997 174.900 -0.008 0.000 1.177 180 G CA -0.298 44.796 45.100 -0.009 0.000 0.870 180 G HN 0.441 nan 8.290 nan 0.000 0.528 181 T N -2.025 112.524 114.554 -0.008 0.000 3.023 181 T HA 0.414 4.764 4.350 -0.000 0.000 0.266 181 T C 1.188 175.884 174.700 -0.006 0.000 1.093 181 T CA 1.028 63.124 62.100 -0.007 0.000 1.129 181 T CB 0.067 68.930 68.868 -0.007 0.000 0.899 181 T HN 1.319 nan 8.240 nan 0.000 0.491 182 G N 0.486 109.282 108.800 -0.006 0.000 2.474 182 G HA2 0.424 4.384 3.960 -0.000 0.000 0.234 182 G HA3 0.424 4.384 3.960 -0.000 0.000 0.234 182 G C -1.791 173.105 174.900 -0.006 0.000 1.204 182 G CA -0.588 44.509 45.100 -0.006 0.000 0.939 182 G HN 0.308 nan 8.290 nan 0.000 0.491 183 L N 0.827 122.047 121.223 -0.006 0.000 2.397 183 L HA 0.612 4.952 4.340 -0.000 0.000 0.271 183 L C -0.288 176.578 176.870 -0.006 0.000 1.148 183 L CA 0.560 55.397 54.840 -0.006 0.000 0.825 183 L CB 0.367 42.423 42.059 -0.005 0.000 1.117 183 L HN 0.898 nan 8.230 nan 0.000 0.456 184 Q N 2.962 122.758 119.800 -0.007 0.000 2.710 184 Q HA -0.089 4.251 4.340 -0.000 0.000 0.178 184 Q C -1.180 174.815 176.000 -0.008 0.000 1.358 184 Q CA 0.061 55.860 55.803 -0.007 0.000 0.379 184 Q CB -0.133 28.602 28.738 -0.006 0.000 0.558 184 Q HN 0.721 nan 8.270 nan 0.000 0.321 185 D N 2.540 122.935 120.400 -0.008 0.000 2.352 185 D HA 0.207 4.847 4.640 -0.000 0.000 0.238 185 D C 0.069 176.363 176.300 -0.009 0.000 1.286 185 D CA 0.427 54.421 54.000 -0.010 0.000 0.923 185 D CB 0.630 41.424 40.800 -0.011 0.000 1.146 185 D HN 0.363 nan 8.370 nan 0.000 0.471 186 E N -0.560 119.634 120.200 -0.010 0.000 2.321 186 E HA 0.462 4.812 4.350 -0.000 0.000 0.278 186 E C -1.355 175.239 176.600 -0.010 0.000 0.902 186 E CA -0.734 55.661 56.400 -0.009 0.000 0.758 186 E CB 2.390 32.085 29.700 -0.009 0.000 1.213 186 E HN 0.090 nan 8.360 nan 0.000 0.426 187 L N 3.205 124.423 121.223 -0.009 0.000 2.408 187 L HA 0.620 4.960 4.340 -0.000 0.000 0.268 187 L C -2.096 174.770 176.870 -0.007 0.000 0.986 187 L CA -0.255 54.580 54.840 -0.009 0.000 0.820 187 L CB 1.743 43.797 42.059 -0.009 0.000 1.303 187 L HN 0.578 nan 8.230 nan 0.000 0.411 188 D N 3.611 124.007 120.400 -0.007 0.000 2.747 188 D HA 0.222 4.861 4.640 -0.000 0.000 0.218 188 D C -1.267 175.031 176.300 -0.005 0.000 1.230 188 D CA -0.404 53.593 54.000 -0.005 0.000 0.774 188 D CB 1.380 42.177 40.800 -0.006 0.000 1.667 188 D HN 0.307 nan 8.370 nan 0.000 0.499 189 V N 0.907 120.819 119.914 -0.003 0.000 2.461 189 V HA 0.478 4.597 4.120 -0.000 0.000 0.275 189 V C 0.995 177.089 176.094 -0.001 0.000 1.047 189 V CA -0.524 61.775 62.300 -0.002 0.000 0.955 189 V CB 0.823 32.645 31.823 -0.001 0.000 0.988 189 V HN 0.589 nan 8.190 nan 0.000 0.471 190 V N 1.904 121.817 119.914 -0.000 0.000 3.158 190 V HA 0.696 4.816 4.120 -0.000 0.000 0.315 190 V C -0.123 175.973 176.094 0.003 0.000 1.148 190 V CA -1.069 61.231 62.300 -0.000 0.000 1.042 190 V CB 2.012 33.833 31.823 -0.002 0.000 1.101 190 V HN 0.661 nan 8.190 nan 0.000 0.448 191 E N 1.191 121.392 120.200 0.002 0.000 2.376 191 E HA 0.579 4.929 4.350 -0.000 0.000 0.266 191 E C 0.235 176.841 176.600 0.010 0.000 1.009 191 E CA 1.088 57.491 56.400 0.005 0.000 0.902 191 E CB 0.738 30.440 29.700 0.003 0.000 0.972 191 E HN 1.265 nan 8.360 nan 0.000 0.439 192 G N 1.262 110.071 108.800 0.016 0.000 2.356 192 G HA2 0.472 4.432 3.960 -0.000 0.000 0.294 192 G HA3 0.472 4.432 3.960 -0.000 0.000 0.294 192 G C -1.291 173.631 174.900 0.038 0.000 1.423 192 G CA -0.673 44.443 45.100 0.026 0.000 0.806 192 G HN 0.402 nan 8.290 nan 0.000 0.527 193 M N -0.348 119.288 119.600 0.061 0.000 2.773 193 M HA 0.697 5.177 4.480 -0.000 0.000 0.270 193 M C -2.176 174.199 176.300 0.126 0.000 1.238 193 M CA -0.742 54.611 55.300 0.087 0.000 0.832 193 M CB 2.511 35.166 32.600 0.092 0.000 1.672 193 M HN 0.775 nan 8.290 nan 0.000 0.480 194 Q N 2.639 122.529 119.800 0.150 0.000 2.268 194 Q HA 0.561 4.901 4.340 -0.000 0.000 0.266 194 Q C -2.260 173.869 176.000 0.214 0.000 1.006 194 Q CA -0.659 55.222 55.803 0.130 0.000 0.824 194 Q CB 1.913 30.673 28.738 0.035 0.000 1.306 194 Q HN 0.579 nan 8.270 nan 0.000 0.424 195 F N 0.099 120.051 119.950 0.004 0.000 2.598 195 F HA 0.573 5.100 4.527 -0.000 0.000 0.327 195 F C -0.492 175.309 175.800 0.002 0.000 1.057 195 F CA -1.341 56.662 58.000 0.005 0.000 0.957 195 F CB 0.985 39.989 39.000 0.006 0.000 1.278 195 F HN 0.303 nan 8.300 nan 0.000 0.484 196 D N 3.285 123.760 120.400 0.125 0.000 2.551 196 D HA 0.223 4.863 4.640 -0.000 0.000 0.223 196 D C -0.221 176.091 176.300 0.020 0.000 1.144 196 D CA 0.182 54.192 54.000 0.017 0.000 1.025 196 D CB 0.064 40.894 40.800 0.050 0.000 1.085 196 D HN 0.302 nan 8.370 nan 0.000 0.506 197 R N 0.454 120.883 120.500 -0.118 0.000 2.566 197 R HA 0.537 4.877 4.340 -0.000 0.000 0.271 197 R C 0.080 176.260 176.300 -0.200 0.000 1.071 197 R CA -0.734 55.322 56.100 -0.073 0.000 0.915 197 R CB 2.151 32.514 30.300 0.106 0.000 1.228 197 R HN 0.313 nan 8.270 nan 0.000 0.449 198 G N 0.747 109.438 108.800 -0.182 0.000 2.705 198 G HA2 0.492 4.452 3.960 -0.000 0.000 0.299 198 G HA3 0.492 4.452 3.960 -0.000 0.000 0.299 198 G C -0.744 174.042 174.900 -0.191 0.000 1.315 198 G CA -0.611 44.304 45.100 -0.307 0.000 1.045 198 G HN 0.436 nan 8.290 nan 0.000 0.517 199 Y N -1.017 119.308 120.300 0.041 0.000 2.702 199 Y HA 0.268 4.818 4.550 0.000 0.000 0.336 199 Y C 1.141 177.144 175.900 0.171 0.000 1.235 199 Y CA -0.968 57.212 58.100 0.133 0.000 1.492 199 Y CB 0.365 38.954 38.460 0.215 0.000 1.308 199 Y HN 0.173 nan 8.280 nan 0.000 0.589 200 L N 2.447 123.937 121.223 0.445 0.000 2.675 200 L HA 0.104 4.444 4.340 -0.000 0.000 0.239 200 L C 0.489 177.581 176.870 0.371 0.000 1.151 200 L CA 0.783 55.830 54.840 0.346 0.000 0.905 200 L CB -0.507 41.731 42.059 0.298 0.000 1.057 200 L HN 0.857 nan 8.230 nan 0.000 0.435 201 S N -2.087 113.902 115.700 0.482 0.000 2.714 201 S HA 0.261 4.730 4.470 -0.000 0.000 0.297 201 S C -2.717 171.870 174.600 -0.022 0.000 0.993 201 S CA -0.972 57.354 58.200 0.210 0.000 0.844 201 S CB 1.121 64.317 63.200 -0.008 0.000 1.043 201 S HN -0.224 nan 8.310 nan 0.000 0.457 202 P HA 0.414 nan 4.420 nan 0.000 0.327 202 P C 0.143 177.153 177.300 -0.482 0.000 1.342 202 P CA 0.553 63.236 63.100 -0.695 0.000 0.761 202 P CB -0.002 31.302 31.700 -0.660 0.000 1.675 203 Y N -4.899 115.192 120.300 -0.348 0.000 2.884 203 Y HA -0.290 4.260 4.550 0.000 0.000 0.483 203 Y C 1.801 177.582 175.900 -0.199 0.000 1.209 203 Y CA 1.437 59.367 58.100 -0.283 0.000 2.681 203 Y CB -2.971 35.267 38.460 -0.370 0.000 0.894 203 Y HN 0.119 nan 8.280 nan 0.000 0.529 204 F N 0.744 120.681 119.950 -0.022 0.000 2.494 204 F HA 0.000 4.527 4.527 -0.000 0.000 0.298 204 F C 1.386 177.140 175.800 -0.077 0.000 1.106 204 F CA 0.430 58.414 58.000 -0.026 0.000 1.452 204 F CB -0.550 38.447 39.000 -0.005 0.000 1.085 204 F HN -0.015 nan 8.300 nan 0.000 0.569 205 I N 2.052 122.607 120.570 -0.025 0.000 2.598 205 I HA -0.105 4.065 4.170 -0.000 0.000 0.284 205 I C 0.611 176.725 176.117 -0.005 0.000 1.140 205 I CA 0.300 61.560 61.300 -0.067 0.000 1.420 205 I CB 0.303 38.184 38.000 -0.198 0.000 1.387 205 I HN 0.143 nan 8.210 nan 0.000 0.553 206 N N 4.602 123.314 118.700 0.020 0.000 2.159 206 N HA 0.070 4.810 4.740 -0.000 0.000 0.217 206 N C -0.128 175.392 175.510 0.017 0.000 1.223 206 N CA -0.183 52.882 53.050 0.026 0.000 0.896 206 N CB 0.514 39.025 38.487 0.040 0.000 1.064 206 N HN 0.292 nan 8.380 nan 0.000 0.518 207 K N 1.461 121.868 120.400 0.012 0.000 2.954 207 K HA 0.276 4.596 4.320 -0.000 0.000 0.171 207 K C -2.048 174.555 176.600 0.004 0.000 1.079 207 K CA -1.548 54.747 56.287 0.013 0.000 0.908 207 K CB 2.012 34.526 32.500 0.023 0.000 1.142 207 K HN 0.027 nan 8.250 nan 0.000 0.613 208 P HA -0.212 nan 4.420 nan 0.000 0.218 208 P C 0.374 177.668 177.300 -0.010 0.000 1.146 208 P CA 1.444 64.531 63.100 -0.021 0.000 0.813 208 P CB 0.545 32.231 31.700 -0.024 0.000 0.778 209 E N -0.135 120.065 120.200 0.001 0.000 2.072 209 E HA -0.084 4.265 4.350 -0.000 0.000 0.191 209 E C 1.920 178.530 176.600 0.016 0.000 0.985 209 E CA 1.623 58.027 56.400 0.007 0.000 0.801 209 E CB -1.502 28.205 29.700 0.012 0.000 0.750 209 E HN 0.273 nan 8.360 nan 0.000 0.452 210 T N -0.872 113.697 114.554 0.025 0.000 3.065 210 T HA 0.221 4.571 4.350 -0.000 0.000 0.252 210 T C 1.333 176.055 174.700 0.037 0.000 1.099 210 T CA 0.406 62.531 62.100 0.042 0.000 1.063 210 T CB 0.133 69.035 68.868 0.057 0.000 0.948 210 T HN 0.395 nan 8.240 nan 0.000 0.506 211 G N 1.663 110.477 108.800 0.023 0.000 2.249 211 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.273 211 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.273 211 G C 0.102 175.054 174.900 0.086 0.000 1.036 211 G CA 0.143 45.259 45.100 0.026 0.000 0.824 211 G HN 0.938 nan 8.290 nan 0.000 0.504 212 A N -1.549 121.315 122.820 0.073 0.000 2.435 212 A HA 0.938 5.257 4.320 -0.000 0.000 0.296 212 A C -0.143 177.491 177.584 0.083 0.000 1.147 212 A CA -0.261 51.846 52.037 0.118 0.000 0.775 212 A CB 1.952 21.007 19.000 0.092 0.000 1.340 212 A HN 1.149 nan 8.150 nan 0.000 0.427 213 V N 0.693 120.674 119.914 0.112 0.000 2.532 213 V HA 0.574 4.693 4.120 -0.000 0.000 0.295 213 V C -0.063 176.064 176.094 0.054 0.000 1.041 213 V CA -0.342 62.007 62.300 0.083 0.000 0.926 213 V CB 1.419 33.307 31.823 0.109 0.000 0.992 213 V HN 0.907 nan 8.190 nan 0.000 0.457 214 E N 4.146 124.369 120.200 0.039 0.000 2.302 214 E HA 0.531 4.881 4.350 -0.000 0.000 0.263 214 E C -1.832 174.778 176.600 0.017 0.000 0.897 214 E CA -0.495 55.919 56.400 0.024 0.000 0.809 214 E CB 1.378 31.091 29.700 0.022 0.000 1.270 214 E HN 0.629 nan 8.360 nan 0.000 0.410 215 L N 3.390 124.617 121.223 0.008 0.000 2.346 215 L HA 0.539 4.878 4.340 -0.000 0.000 0.276 215 L C -0.164 176.700 176.870 -0.010 0.000 1.006 215 L CA -0.879 53.962 54.840 0.001 0.000 0.817 215 L CB 1.851 43.909 42.059 -0.002 0.000 1.272 215 L HN 0.454 nan 8.230 nan 0.000 0.421 216 E N 1.345 121.535 120.200 -0.017 0.000 2.171 216 E HA 0.306 4.656 4.350 -0.000 0.000 0.271 216 E C -0.296 176.270 176.600 -0.057 0.000 0.916 216 E CA -0.613 55.769 56.400 -0.030 0.000 0.774 216 E CB 1.693 31.380 29.700 -0.022 0.000 1.128 216 E HN 0.617 nan 8.360 nan 0.000 0.403 217 S N 1.647 117.300 115.700 -0.079 0.000 3.631 217 S HA -0.123 4.347 4.470 -0.000 0.000 0.366 217 S C -2.103 172.370 174.600 -0.210 0.000 0.993 217 S CA 0.420 58.536 58.200 -0.139 0.000 1.167 217 S CB -1.367 61.753 63.200 -0.134 0.000 0.909 217 S HN 0.499 nan 8.310 nan 0.000 0.478 218 P HA 0.524 nan 4.420 nan 0.000 0.278 218 P C -0.142 177.045 177.300 -0.187 0.000 1.258 218 P CA -0.616 62.406 63.100 -0.130 0.000 0.811 218 P CB 0.548 32.230 31.700 -0.030 0.000 1.063 219 F N 0.190 120.140 119.950 0.001 0.000 2.379 219 F HA 0.435 4.962 4.527 -0.000 0.000 0.332 219 F C 0.837 176.637 175.800 0.001 0.000 1.096 219 F CA -0.328 57.673 58.000 0.001 0.000 1.105 219 F CB 0.798 39.798 39.000 -0.000 0.000 1.189 219 F HN 0.035 nan 8.300 nan 0.000 0.515 220 I N 4.224 124.919 120.570 0.209 0.000 2.410 220 I HA 0.242 4.412 4.170 -0.000 0.000 0.286 220 I C -1.227 174.945 176.117 0.090 0.000 1.009 220 I CA -0.931 60.438 61.300 0.116 0.000 1.111 220 I CB 1.753 39.801 38.000 0.081 0.000 1.262 220 I HN 0.259 nan 8.210 nan 0.000 0.443 221 L N 8.335 129.595 121.223 0.063 0.000 2.260 221 L HA 0.454 4.794 4.340 -0.000 0.000 0.289 221 L C -0.877 176.007 176.870 0.023 0.000 1.057 221 L CA 0.057 54.918 54.840 0.035 0.000 0.811 221 L CB 0.607 42.679 42.059 0.021 0.000 1.184 221 L HN 0.455 nan 8.230 nan 0.000 0.429 222 L N 6.519 127.750 121.223 0.013 0.000 2.283 222 L HA 0.688 5.027 4.340 -0.000 0.000 0.281 222 L C -0.044 176.823 176.870 -0.004 0.000 1.033 222 L CA -0.417 54.422 54.840 -0.002 0.000 0.848 222 L CB 1.019 43.070 42.059 -0.013 0.000 1.226 222 L HN 0.792 nan 8.230 nan 0.000 0.429 223 A N 1.804 124.623 122.820 -0.001 0.000 2.311 223 A HA 0.353 4.673 4.320 -0.000 0.000 0.306 223 A C -0.476 177.108 177.584 0.000 0.000 1.189 223 A CA -0.559 51.478 52.037 0.001 0.000 0.791 223 A CB 0.886 19.891 19.000 0.007 0.000 1.172 223 A HN 0.673 nan 8.150 nan 0.000 0.481 224 D N 2.607 123.004 120.400 -0.004 0.000 2.608 224 D HA 0.416 5.056 4.640 -0.000 0.000 0.224 224 D C -0.075 176.229 176.300 0.006 0.000 1.123 224 D CA 0.328 54.326 54.000 -0.003 0.000 1.030 224 D CB -0.613 40.181 40.800 -0.010 0.000 1.093 224 D HN 0.610 nan 8.370 nan 0.000 0.497 225 K N -0.423 119.985 120.400 0.013 0.000 2.991 225 K HA 0.188 4.508 4.320 -0.000 0.000 0.309 225 K C -1.432 175.183 176.600 0.025 0.000 1.122 225 K CA -0.997 55.302 56.287 0.019 0.000 0.879 225 K CB 0.188 32.696 32.500 0.014 0.000 1.418 225 K HN -0.112 nan 8.250 nan 0.000 0.369 226 K N 1.307 121.724 120.400 0.029 0.000 2.270 226 K HA 0.385 4.704 4.320 -0.000 0.000 0.276 226 K C -0.375 176.243 176.600 0.031 0.000 1.023 226 K CA -0.293 56.014 56.287 0.034 0.000 0.955 226 K CB 0.499 33.020 32.500 0.035 0.000 0.975 226 K HN 0.437 nan 8.250 nan 0.000 0.471 227 I N 2.110 122.702 120.570 0.036 0.000 2.382 227 I HA 0.066 4.236 4.170 -0.000 0.000 0.285 227 I C 0.340 176.480 176.117 0.038 0.000 1.007 227 I CA -0.070 61.250 61.300 0.034 0.000 1.142 227 I CB 1.786 39.809 38.000 0.037 0.000 1.289 227 I HN 0.646 nan 8.210 nan 0.000 0.453 228 S N 3.691 119.410 115.700 0.031 0.000 2.524 228 S HA 0.241 4.711 4.470 -0.000 0.000 0.222 228 S C 0.399 175.014 174.600 0.026 0.000 1.040 228 S CA -0.108 58.110 58.200 0.030 0.000 0.915 228 S CB 0.222 63.437 63.200 0.025 0.000 0.831 228 S HN 0.589 nan 8.310 nan 0.000 0.492 229 N N 1.261 119.975 118.700 0.023 0.000 2.399 229 N HA 0.352 5.091 4.740 -0.000 0.000 0.280 229 N C -0.509 175.012 175.510 0.019 0.000 1.008 229 N CA -0.246 52.815 53.050 0.018 0.000 0.894 229 N CB 1.936 40.431 38.487 0.013 0.000 1.273 229 N HN 0.082 nan 8.380 nan 0.000 0.486 230 I N 1.812 122.394 120.570 0.020 0.000 3.555 230 I HA -0.046 4.124 4.170 -0.000 0.000 0.304 230 I C 2.063 178.188 176.117 0.013 0.000 1.246 230 I CA 0.445 61.757 61.300 0.021 0.000 1.220 230 I CB -0.053 37.961 38.000 0.024 0.000 1.001 230 I HN 0.396 nan 8.210 nan 0.000 0.513 231 R N 0.548 121.054 120.500 0.010 0.000 2.119 231 R HA -0.103 4.237 4.340 -0.000 0.000 0.222 231 R C 1.740 178.042 176.300 0.004 0.000 1.088 231 R CA 1.213 57.316 56.100 0.006 0.000 0.984 231 R CB 0.077 30.380 30.300 0.005 0.000 0.884 231 R HN 0.477 nan 8.270 nan 0.000 0.447 232 E N -0.112 120.092 120.200 0.005 0.000 2.208 232 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 232 E C 1.949 178.549 176.600 0.000 0.000 0.988 232 E CA 0.796 57.197 56.400 0.002 0.000 0.828 232 E CB 0.087 29.790 29.700 0.005 0.000 0.763 232 E HN 0.260 nan 8.360 nan 0.000 0.478 233 M N 0.556 120.158 119.600 0.004 0.000 2.099 233 M HA -0.104 4.376 4.480 -0.000 0.000 0.262 233 M C 2.374 178.671 176.300 -0.004 0.000 1.067 233 M CA 1.223 56.524 55.300 0.002 0.000 1.124 233 M CB -0.988 31.620 32.600 0.013 0.000 1.353 233 M HN 0.168 nan 8.290 nan 0.000 0.410 234 L N 0.408 121.630 121.223 -0.002 0.000 2.040 234 L HA -0.286 4.054 4.340 -0.000 0.000 0.228 234 L C -0.220 176.641 176.870 -0.014 0.000 1.092 234 L CA 2.204 57.041 54.840 -0.006 0.000 0.805 234 L CB -2.799 39.257 42.059 -0.004 0.000 0.905 234 L HN 0.209 nan 8.230 nan 0.000 0.443 235 P HA -0.129 nan 4.420 nan 0.000 0.218 235 P C 1.697 178.973 177.300 -0.040 0.000 1.148 235 P CA 1.573 64.657 63.100 -0.026 0.000 0.822 235 P CB 0.077 31.763 31.700 -0.023 0.000 0.784 236 V N -0.553 119.336 119.914 -0.041 0.000 2.992 236 V HA -0.028 4.092 4.120 -0.000 0.000 0.250 236 V C 2.690 178.746 176.094 -0.063 0.000 1.090 236 V CA 0.744 63.006 62.300 -0.063 0.000 1.101 236 V CB -0.787 31.004 31.823 -0.053 0.000 0.743 236 V HN -0.004 nan 8.190 nan 0.000 0.468 237 L N -0.142 121.060 121.223 -0.034 0.000 2.156 237 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 237 L C 2.471 179.327 176.870 -0.023 0.000 1.095 237 L CA 1.441 56.269 54.840 -0.020 0.000 0.770 237 L CB -0.319 41.740 42.059 -0.001 0.000 0.914 237 L HN 0.413 nan 8.230 nan 0.000 0.439 238 E N 0.081 120.264 120.200 -0.029 0.000 2.112 238 E HA -0.100 4.250 4.350 -0.000 0.000 0.190 238 E C 2.305 178.879 176.600 -0.043 0.000 0.979 238 E CA 0.863 57.247 56.400 -0.026 0.000 0.814 238 E CB -0.078 29.609 29.700 -0.021 0.000 0.762 238 E HN 0.436 nan 8.360 nan 0.000 0.460 239 A N 1.100 123.877 122.820 -0.072 0.000 1.972 239 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 239 A C 2.370 179.865 177.584 -0.148 0.000 1.169 239 A CA 1.056 53.026 52.037 -0.112 0.000 0.635 239 A CB -0.360 18.550 19.000 -0.150 0.000 0.810 239 A HN 0.115 nan 8.150 nan 0.000 0.446 240 V N -0.810 119.027 119.914 -0.129 0.000 2.951 240 V HA -0.038 4.082 4.120 -0.000 0.000 0.255 240 V C 2.818 178.921 176.094 0.014 0.000 1.088 240 V CA 1.220 63.469 62.300 -0.085 0.000 1.109 240 V CB -0.567 31.233 31.823 -0.038 0.000 0.724 240 V HN 0.580 nan 8.190 nan 0.000 0.471 241 A N -0.485 122.336 122.820 0.001 0.000 2.015 241 A HA -0.075 4.245 4.320 -0.000 0.000 0.219 241 A C 1.397 178.996 177.584 0.024 0.000 1.163 241 A CA 0.956 53.004 52.037 0.019 0.000 0.646 241 A CB -0.159 18.846 19.000 0.009 0.000 0.806 241 A HN 0.484 nan 8.150 nan 0.000 0.448 242 K N -1.764 118.642 120.400 0.011 0.000 2.118 242 K HA 0.457 4.777 4.320 -0.000 0.000 0.264 242 K C 0.805 177.437 176.600 0.054 0.000 1.000 242 K CA 0.358 56.657 56.287 0.019 0.000 0.929 242 K CB 0.761 33.259 32.500 -0.003 0.000 1.021 242 K HN 0.630 nan 8.250 nan 0.000 0.463 243 A N 1.881 124.743 122.820 0.070 0.000 3.396 243 A HA -0.182 4.137 4.320 -0.000 0.000 0.267 243 A C 0.996 178.654 177.584 0.122 0.000 1.139 243 A CA 1.071 53.178 52.037 0.117 0.000 1.115 243 A CB -2.435 16.690 19.000 0.208 0.000 1.133 243 A HN 1.297 nan 8.150 nan 0.000 0.920 244 G N -0.524 108.333 108.800 0.095 0.000 2.385 244 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.284 244 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.284 244 G C -0.036 174.919 174.900 0.093 0.000 0.899 244 G CA 1.547 46.696 45.100 0.080 0.000 1.204 244 G HN 1.098 nan 8.290 nan 0.000 0.486 245 K N 0.726 121.217 120.400 0.153 0.000 2.328 245 K HA 0.522 4.842 4.320 -0.000 0.000 0.246 245 K C -2.083 174.605 176.600 0.148 0.000 0.955 245 K CA -2.074 54.290 56.287 0.128 0.000 0.817 245 K CB 2.672 35.240 32.500 0.114 0.000 1.208 245 K HN 0.087 nan 8.250 nan 0.000 0.432 246 P HA 0.118 nan 4.420 nan 0.000 0.274 246 P C -1.160 176.210 177.300 0.117 0.000 1.260 246 P CA -0.480 62.666 63.100 0.076 0.000 0.793 246 P CB 0.651 32.371 31.700 0.034 0.000 1.048 247 L N 0.564 121.834 121.223 0.079 0.000 2.436 247 L HA 0.533 4.873 4.340 -0.000 0.000 0.268 247 L C -1.587 175.292 176.870 0.015 0.000 0.974 247 L CA -0.953 53.938 54.840 0.086 0.000 0.826 247 L CB 1.745 43.852 42.059 0.079 0.000 1.291 247 L HN 0.152 nan 8.230 nan 0.000 0.406 248 L N 6.038 127.278 121.223 0.029 0.000 2.287 248 L HA 0.624 4.964 4.340 -0.000 0.000 0.287 248 L C -1.190 175.685 176.870 0.009 0.000 1.022 248 L CA -0.208 54.628 54.840 -0.007 0.000 0.814 248 L CB 1.183 43.256 42.059 0.023 0.000 1.217 248 L HN 0.459 nan 8.230 nan 0.000 0.420 249 I N 7.244 127.799 120.570 -0.024 0.000 2.307 249 I HA 0.281 4.451 4.170 -0.000 0.000 0.289 249 I C -0.126 176.010 176.117 0.031 0.000 1.021 249 I CA -0.140 61.162 61.300 0.003 0.000 1.224 249 I CB 0.849 38.843 38.000 -0.009 0.000 1.376 249 I HN 0.563 nan 8.210 nan 0.000 0.470 250 I N 6.125 126.723 120.570 0.047 0.000 2.347 250 I HA 0.506 4.675 4.170 -0.000 0.000 0.283 250 I C 0.392 176.529 176.117 0.034 0.000 1.058 250 I CA -0.166 61.173 61.300 0.065 0.000 1.202 250 I CB 1.055 39.089 38.000 0.056 0.000 1.386 250 I HN 0.626 nan 8.210 nan 0.000 0.475 251 A N 4.347 127.194 122.820 0.046 0.000 2.437 251 A HA 0.438 4.758 4.320 -0.000 0.000 0.288 251 A C 0.907 178.518 177.584 0.044 0.000 1.201 251 A CA -0.544 51.514 52.037 0.035 0.000 0.795 251 A CB 1.267 20.289 19.000 0.037 0.000 1.359 251 A HN 0.683 nan 8.150 nan 0.000 0.435 252 E N -0.753 119.470 120.200 0.038 0.000 2.209 252 E HA -0.132 4.218 4.350 -0.000 0.000 0.196 252 E C -0.423 176.213 176.600 0.060 0.000 0.993 252 E CA 1.633 58.062 56.400 0.047 0.000 0.819 252 E CB 0.143 29.867 29.700 0.042 0.000 0.745 252 E HN 0.594 nan 8.360 nan 0.000 0.477 253 D N -2.341 118.095 120.400 0.060 0.000 2.983 253 D HA 0.064 4.704 4.640 -0.000 0.000 0.269 253 D C -1.983 174.357 176.300 0.068 0.000 1.121 253 D CA -0.436 53.605 54.000 0.069 0.000 0.724 253 D CB 1.290 42.128 40.800 0.063 0.000 1.381 253 D HN -0.144 nan 8.370 nan 0.000 0.442 254 V N 2.551 122.514 119.914 0.083 0.000 2.409 254 V HA 0.491 4.611 4.120 -0.000 0.000 0.290 254 V C -0.096 176.051 176.094 0.088 0.000 1.017 254 V CA -0.569 61.783 62.300 0.087 0.000 0.841 254 V CB 1.493 33.383 31.823 0.111 0.000 1.003 254 V HN 0.415 nan 8.190 nan 0.000 0.426 255 E N 2.427 122.667 120.200 0.067 0.000 2.232 255 E HA 0.623 4.973 4.350 -0.000 0.000 0.264 255 E C 1.226 177.855 176.600 0.048 0.000 0.973 255 E CA -0.188 56.246 56.400 0.056 0.000 0.849 255 E CB 1.664 31.390 29.700 0.043 0.000 1.198 255 E HN 0.689 nan 8.360 nan 0.000 0.407 256 G N 1.659 110.482 108.800 0.037 0.000 3.652 256 G HA2 -0.482 3.478 3.960 -0.000 0.000 0.270 256 G HA3 -0.482 3.478 3.960 -0.000 0.000 0.270 256 G C 1.255 176.168 174.900 0.021 0.000 0.886 256 G CA 1.362 46.477 45.100 0.024 0.000 0.746 256 G HN 0.704 nan 8.290 nan 0.000 1.316 257 E N 0.908 121.118 120.200 0.016 0.000 2.095 257 E HA -0.293 4.057 4.350 -0.000 0.000 0.212 257 E C 2.957 179.570 176.600 0.021 0.000 1.044 257 E CA 2.555 58.963 56.400 0.013 0.000 0.857 257 E CB -0.800 28.908 29.700 0.013 0.000 0.764 257 E HN 0.602 nan 8.360 nan 0.000 0.462 258 A N 0.787 123.626 122.820 0.033 0.000 1.873 258 A HA -0.143 4.177 4.320 -0.000 0.000 0.215 258 A C 2.275 179.900 177.584 0.069 0.000 1.186 258 A CA 1.469 53.534 52.037 0.046 0.000 0.616 258 A CB -0.766 18.264 19.000 0.049 0.000 0.823 258 A HN 0.339 nan 8.150 nan 0.000 0.442 259 L N 0.045 121.316 121.223 0.080 0.000 2.012 259 L HA -0.117 4.223 4.340 -0.000 0.000 0.210 259 L C 2.610 179.517 176.870 0.061 0.000 1.073 259 L CA 2.404 57.312 54.840 0.114 0.000 0.748 259 L CB -0.924 41.198 42.059 0.106 0.000 0.891 259 L HN 0.350 nan 8.230 nan 0.000 0.431 260 A N -1.777 121.051 122.820 0.013 0.000 1.898 260 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 260 A C 2.237 179.799 177.584 -0.036 0.000 1.181 260 A CA 2.148 54.161 52.037 -0.040 0.000 0.620 260 A CB -1.170 17.805 19.000 -0.040 0.000 0.819 260 A HN 0.523 nan 8.150 nan 0.000 0.442 261 T N 0.488 115.042 114.554 0.002 0.000 2.867 261 T HA -0.043 4.307 4.350 -0.000 0.000 0.268 261 T C 1.751 176.472 174.700 0.036 0.000 1.057 261 T CA 1.361 63.467 62.100 0.009 0.000 1.136 261 T CB -0.319 68.561 68.868 0.019 0.000 0.874 261 T HN 0.376 nan 8.240 nan 0.000 0.466 262 L N 0.555 121.830 121.223 0.088 0.000 2.044 262 L HA -0.017 4.323 4.340 -0.000 0.000 0.205 262 L C 2.628 179.604 176.870 0.178 0.000 1.075 262 L CA 0.738 55.686 54.840 0.180 0.000 0.747 262 L CB -0.700 41.541 42.059 0.304 0.000 0.903 262 L HN 0.106 nan 8.230 nan 0.000 0.435 263 V N -0.493 119.430 119.914 0.015 0.000 2.568 263 V HA -0.233 3.887 4.120 -0.000 0.000 0.253 263 V C 2.272 178.260 176.094 -0.177 0.000 1.072 263 V CA 1.294 63.444 62.300 -0.250 0.000 1.084 263 V CB -0.318 31.252 31.823 -0.422 0.000 0.676 263 V HN 0.197 nan 8.190 nan 0.000 0.469 264 V N 0.010 119.861 119.914 -0.106 0.000 2.278 264 V HA -0.170 3.950 4.120 -0.000 0.000 0.238 264 V C 2.058 178.135 176.094 -0.027 0.000 1.039 264 V CA 2.096 64.341 62.300 -0.092 0.000 1.017 264 V CB -0.873 30.903 31.823 -0.077 0.000 0.657 264 V HN 0.528 nan 8.190 nan 0.000 0.462 265 N N 0.556 119.259 118.700 0.006 0.000 2.133 265 N HA -0.253 4.487 4.740 -0.000 0.000 0.193 265 N C 1.814 177.352 175.510 0.047 0.000 1.012 265 N CA 2.033 55.099 53.050 0.027 0.000 0.871 265 N CB -0.172 38.338 38.487 0.038 0.000 1.011 265 N HN 0.716 nan 8.380 nan 0.000 0.435 266 T N -1.518 113.085 114.554 0.082 0.000 2.985 266 T HA -0.006 4.343 4.350 -0.000 0.000 0.266 266 T C 1.607 176.355 174.700 0.081 0.000 1.076 266 T CA 0.381 62.547 62.100 0.110 0.000 1.135 266 T CB -0.048 68.948 68.868 0.214 0.000 0.890 266 T HN 0.114 nan 8.240 nan 0.000 0.480 267 M N 0.357 119.982 119.600 0.042 0.000 2.659 267 M HA 0.278 4.758 4.480 -0.000 0.000 0.243 267 M C 1.533 177.841 176.300 0.013 0.000 1.111 267 M CA 0.486 55.797 55.300 0.019 0.000 1.070 267 M CB -0.032 32.540 32.600 -0.047 0.000 1.525 267 M HN 0.106 nan 8.290 nan 0.000 0.517 268 R N -1.389 119.121 120.500 0.017 0.000 2.535 268 R HA 0.269 4.609 4.340 -0.000 0.000 0.323 268 R C 1.003 177.316 176.300 0.021 0.000 0.979 268 R CA 0.499 56.608 56.100 0.014 0.000 1.120 268 R CB 0.732 31.035 30.300 0.005 0.000 1.306 268 R HN 0.485 nan 8.270 nan 0.000 0.540 269 G N 1.734 110.553 108.800 0.032 0.000 2.184 269 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.264 269 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.264 269 G C 0.405 175.324 174.900 0.031 0.000 0.975 269 G CA 0.077 45.196 45.100 0.032 0.000 0.642 269 G HN 0.318 nan 8.290 nan 0.000 0.536 270 I N 1.397 121.986 120.570 0.031 0.000 2.426 270 I HA 0.377 4.547 4.170 -0.000 0.000 0.282 270 I C 0.571 176.710 176.117 0.038 0.000 1.064 270 I CA -0.263 61.054 61.300 0.028 0.000 2.047 270 I CB -0.402 37.611 38.000 0.023 0.000 1.497 270 I HN 0.130 nan 8.210 nan 0.000 0.899 271 V N 2.001 121.940 119.914 0.042 0.000 3.288 271 V HA -0.181 3.939 4.120 -0.000 0.000 0.473 271 V C -0.096 176.035 176.094 0.061 0.000 0.682 271 V CA -0.305 62.025 62.300 0.050 0.000 2.015 271 V CB -0.669 31.182 31.823 0.046 0.000 2.472 271 V HN 0.584 nan 8.190 nan 0.000 0.499 272 K N 3.832 124.268 120.400 0.061 0.000 2.316 272 K HA 0.705 5.025 4.320 -0.000 0.000 0.289 272 K C -0.370 176.260 176.600 0.051 0.000 1.070 272 K CA -0.074 56.252 56.287 0.065 0.000 0.928 272 K CB 1.352 33.883 32.500 0.053 0.000 1.039 272 K HN 0.579 nan 8.250 nan 0.000 0.480 273 V N 1.108 121.054 119.914 0.053 0.000 3.007 273 V HA 0.880 5.000 4.120 -0.000 0.000 0.311 273 V C -1.049 174.890 176.094 -0.258 0.000 1.120 273 V CA -1.142 61.136 62.300 -0.036 0.000 0.980 273 V CB 2.183 34.013 31.823 0.011 0.000 1.033 273 V HN 0.741 nan 8.190 nan 0.000 0.429 274 A N 1.939 124.466 122.820 -0.489 0.000 2.488 274 A HA 0.954 5.274 4.320 -0.000 0.000 0.295 274 A C -0.747 176.439 177.584 -0.664 0.000 1.045 274 A CA -0.024 51.410 52.037 -1.005 0.000 0.703 274 A CB 1.687 20.414 19.000 -0.456 0.000 1.271 274 A HN 1.676 nan 8.150 nan 0.000 0.400 275 A N 1.183 123.546 122.820 -0.762 0.000 2.350 275 A HA 0.919 5.239 4.320 -0.000 0.000 0.324 275 A C -0.252 177.324 177.584 -0.014 0.000 1.118 275 A CA -0.101 51.816 52.037 -0.200 0.000 0.783 275 A CB 1.315 20.293 19.000 -0.037 0.000 1.236 275 A HN 2.341 nan 8.150 nan 0.000 0.457 276 V N -0.847 119.101 119.914 0.057 0.000 3.087 276 V HA 0.594 4.714 4.120 -0.000 0.000 0.306 276 V C -0.625 175.558 176.094 0.149 0.000 1.187 276 V CA -1.242 61.126 62.300 0.113 0.000 0.999 276 V CB 1.457 33.342 31.823 0.103 0.000 1.049 276 V HN 0.882 nan 8.190 nan 0.000 0.431 277 K N 1.949 122.441 120.400 0.153 0.000 2.258 277 K HA 0.664 4.984 4.320 -0.000 0.000 0.264 277 K C 0.457 177.172 176.600 0.191 0.000 1.007 277 K CA 0.313 56.686 56.287 0.144 0.000 0.941 277 K CB 1.230 33.803 32.500 0.122 0.000 0.966 277 K HN 1.144 nan 8.250 nan 0.000 0.480 278 A N 3.735 126.616 122.820 0.101 0.000 2.407 278 A HA 0.234 4.554 4.320 -0.000 0.000 0.248 278 A C -2.065 175.544 177.584 0.043 0.000 1.082 278 A CA -1.209 50.833 52.037 0.007 0.000 0.785 278 A CB -0.309 18.670 19.000 -0.036 0.000 1.020 278 A HN 0.473 nan 8.150 nan 0.000 0.489 279 P HA 0.344 nan 4.420 nan 0.000 0.271 279 P C 0.686 178.017 177.300 0.051 0.000 1.216 279 P CA 1.489 64.625 63.100 0.060 0.000 0.776 279 P CB 0.547 32.210 31.700 -0.062 0.000 0.881 280 G N 2.302 111.176 108.800 0.124 0.000 2.752 280 G HA2 -0.088 3.871 3.960 -0.000 0.000 0.234 280 G HA3 -0.088 3.871 3.960 -0.000 0.000 0.234 280 G C -0.761 174.279 174.900 0.233 0.000 1.367 280 G CA 0.052 45.248 45.100 0.159 0.000 0.879 280 G HN 0.750 nan 8.290 nan 0.000 0.563 281 F N -2.149 117.817 119.950 0.027 0.000 2.664 281 F HA 0.838 5.364 4.527 -0.000 0.000 0.317 281 F C 1.029 176.843 175.800 0.023 0.000 1.108 281 F CA 0.206 58.221 58.000 0.025 0.000 0.957 281 F CB 0.975 39.994 39.000 0.031 0.000 1.365 281 F HN 2.473 nan 8.300 nan 0.000 0.475 282 G N 1.328 110.108 108.800 -0.033 0.000 2.566 282 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.280 282 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.280 282 G C 0.334 175.143 174.900 -0.150 0.000 1.225 282 G CA 0.633 45.645 45.100 -0.146 0.000 0.966 282 G HN 0.870 nan 8.290 nan 0.000 0.560 283 D N 0.995 121.294 120.400 -0.168 0.000 2.084 283 D HA -0.108 4.532 4.640 -0.000 0.000 0.194 283 D C 2.523 178.746 176.300 -0.129 0.000 0.990 283 D CA 1.772 55.702 54.000 -0.116 0.000 0.826 283 D CB -0.312 40.432 40.800 -0.094 0.000 0.971 283 D HN 0.716 nan 8.370 nan 0.000 0.453 284 R N 1.253 121.645 120.500 -0.180 0.000 2.249 284 R HA -0.074 4.266 4.340 -0.000 0.000 0.230 284 R C 2.155 178.379 176.300 -0.128 0.000 1.121 284 R CA 0.981 56.989 56.100 -0.153 0.000 0.997 284 R CB -0.391 29.802 30.300 -0.178 0.000 0.867 284 R HN 0.098 nan 8.270 nan 0.000 0.465 285 R N 1.632 122.056 120.500 -0.128 0.000 2.073 285 R HA -0.058 4.282 4.340 -0.000 0.000 0.229 285 R C 1.467 177.722 176.300 -0.074 0.000 1.120 285 R CA 1.519 57.572 56.100 -0.077 0.000 0.967 285 R CB 0.008 30.289 30.300 -0.031 0.000 0.862 285 R HN 0.287 nan 8.270 nan 0.000 0.436 286 K N 0.160 120.519 120.400 -0.068 0.000 2.057 286 K HA -0.047 4.273 4.320 -0.000 0.000 0.206 286 K C 2.167 178.728 176.600 -0.065 0.000 1.050 286 K CA 1.248 57.500 56.287 -0.057 0.000 0.935 286 K CB -0.145 32.328 32.500 -0.045 0.000 0.715 286 K HN 0.192 nan 8.250 nan 0.000 0.439 287 A N 1.652 124.429 122.820 -0.071 0.000 1.883 287 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 287 A C 2.173 179.710 177.584 -0.078 0.000 1.186 287 A CA 1.696 53.692 52.037 -0.069 0.000 0.624 287 A CB -0.516 18.440 19.000 -0.073 0.000 0.822 287 A HN 0.193 nan 8.150 nan 0.000 0.444 288 M N -0.962 118.582 119.600 -0.094 0.000 2.229 288 M HA -0.009 4.471 4.480 -0.000 0.000 0.264 288 M C 2.121 178.334 176.300 -0.144 0.000 1.063 288 M CA 0.967 56.196 55.300 -0.118 0.000 1.114 288 M CB -0.327 32.193 32.600 -0.134 0.000 1.387 288 M HN 0.400 nan 8.290 nan 0.000 0.420 289 L N 0.017 121.163 121.223 -0.129 0.000 2.131 289 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 289 L C 2.590 179.403 176.870 -0.093 0.000 1.092 289 L CA 1.229 55.992 54.840 -0.127 0.000 0.759 289 L CB -0.265 41.740 42.059 -0.090 0.000 0.903 289 L HN 0.320 nan 8.230 nan 0.000 0.435 290 Q N 0.151 119.906 119.800 -0.074 0.000 2.123 290 Q HA -0.191 4.149 4.340 -0.000 0.000 0.199 290 Q C 1.567 177.534 176.000 -0.055 0.000 0.966 290 Q CA 1.689 57.459 55.803 -0.055 0.000 0.845 290 Q CB -0.048 28.663 28.738 -0.045 0.000 0.907 290 Q HN 0.379 nan 8.270 nan 0.000 0.439 291 D N -0.094 120.266 120.400 -0.067 0.000 2.092 291 D HA -0.162 4.478 4.640 -0.000 0.000 0.193 291 D C 1.785 178.051 176.300 -0.058 0.000 0.994 291 D CA 1.593 55.557 54.000 -0.059 0.000 0.828 291 D CB -0.241 40.518 40.800 -0.068 0.000 0.963 291 D HN 0.349 nan 8.370 nan 0.000 0.450 292 I N 0.845 121.362 120.570 -0.089 0.000 2.208 292 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 292 I C 2.413 178.505 176.117 -0.041 0.000 1.097 292 I CA 1.050 62.302 61.300 -0.079 0.000 1.363 292 I CB -0.360 37.551 38.000 -0.149 0.000 1.051 292 I HN -0.044 nan 8.210 nan 0.000 0.413 293 A N 0.874 123.669 122.820 -0.042 0.000 1.851 293 A HA -0.230 4.090 4.320 -0.000 0.000 0.216 293 A C 2.417 179.994 177.584 -0.012 0.000 1.195 293 A CA 2.689 54.713 52.037 -0.021 0.000 0.622 293 A CB -1.259 17.727 19.000 -0.023 0.000 0.831 293 A HN 0.391 nan 8.150 nan 0.000 0.444 294 T N 0.589 115.133 114.554 -0.017 0.000 2.699 294 T HA -0.161 4.189 4.350 -0.000 0.000 0.268 294 T C 1.836 176.532 174.700 -0.006 0.000 1.036 294 T CA 1.388 63.481 62.100 -0.011 0.000 1.147 294 T CB -0.383 68.476 68.868 -0.016 0.000 0.862 294 T HN 0.327 nan 8.240 nan 0.000 0.446 295 L N 1.928 123.146 121.223 -0.008 0.000 2.083 295 L HA -0.069 4.271 4.340 -0.000 0.000 0.209 295 L C 2.262 179.135 176.870 0.005 0.000 1.083 295 L CA 2.392 57.231 54.840 -0.001 0.000 0.752 295 L CB -1.354 40.706 42.059 0.001 0.000 0.899 295 L HN 0.481 nan 8.230 nan 0.000 0.433 296 T N -3.910 110.648 114.554 0.007 0.000 3.069 296 T HA 0.258 4.608 4.350 -0.000 0.000 0.252 296 T C 1.208 175.919 174.700 0.018 0.000 1.053 296 T CA 0.352 62.461 62.100 0.014 0.000 0.964 296 T CB -0.181 68.701 68.868 0.023 0.000 1.005 296 T HN 0.562 nan 8.240 nan 0.000 0.532 297 G N 0.464 109.272 108.800 0.014 0.000 2.314 297 G HA2 0.126 4.086 3.960 -0.000 0.000 0.292 297 G HA3 0.126 4.086 3.960 -0.000 0.000 0.292 297 G C 0.269 175.186 174.900 0.030 0.000 1.059 297 G CA -0.139 44.972 45.100 0.018 0.000 0.982 297 G HN 1.068 nan 8.290 nan 0.000 0.505 298 G N -1.626 107.189 108.800 0.025 0.000 3.042 298 G HA2 0.847 4.807 3.960 -0.000 0.000 0.278 298 G HA3 0.847 4.807 3.960 -0.000 0.000 0.278 298 G C -0.613 174.295 174.900 0.014 0.000 1.371 298 G CA 0.087 45.205 45.100 0.030 0.000 1.009 298 G HN 0.665 nan 8.290 nan 0.000 0.523 299 T N 0.331 114.891 114.554 0.011 0.000 2.812 299 T HA 0.445 4.795 4.350 -0.000 0.000 0.282 299 T C -0.144 174.554 174.700 -0.004 0.000 0.990 299 T CA -0.253 61.848 62.100 0.001 0.000 0.960 299 T CB 1.688 70.555 68.868 -0.000 0.000 0.948 299 T HN 0.350 nan 8.240 nan 0.000 0.438 300 V N 4.912 124.820 119.914 -0.010 0.000 2.470 300 V HA 0.229 4.349 4.120 -0.000 0.000 0.276 300 V C 0.410 176.497 176.094 -0.011 0.000 1.040 300 V CA -0.276 62.016 62.300 -0.014 0.000 1.008 300 V CB 0.105 31.915 31.823 -0.021 0.000 0.990 300 V HN 0.768 nan 8.190 nan 0.000 0.477 301 I N 5.683 126.248 120.570 -0.009 0.000 2.269 301 I HA 0.229 4.399 4.170 -0.000 0.000 0.293 301 I C 0.518 176.631 176.117 -0.006 0.000 1.106 301 I CA 0.210 61.505 61.300 -0.007 0.000 1.248 301 I CB 0.539 38.535 38.000 -0.006 0.000 1.444 301 I HN 0.702 nan 8.210 nan 0.000 0.497 302 S N 3.172 118.868 115.700 -0.007 0.000 2.475 302 S HA 0.363 4.833 4.470 -0.000 0.000 0.298 302 S C 0.623 175.221 174.600 -0.003 0.000 1.119 302 S CA -0.849 57.348 58.200 -0.005 0.000 1.085 302 S CB 2.016 65.211 63.200 -0.008 0.000 1.028 302 S HN 0.577 nan 8.310 nan 0.000 0.489 303 E N 1.753 121.953 120.200 -0.000 0.000 2.204 303 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 303 E C 1.424 178.023 176.600 -0.000 0.000 0.989 303 E CA 1.109 57.509 56.400 0.001 0.000 0.824 303 E CB -0.048 29.654 29.700 0.004 0.000 0.756 303 E HN 0.802 nan 8.360 nan 0.000 0.477 304 E N 1.023 121.223 120.200 -0.001 0.000 2.021 304 E HA -0.205 4.145 4.350 -0.000 0.000 0.200 304 E C 1.952 178.551 176.600 -0.003 0.000 1.015 304 E CA 1.135 57.534 56.400 -0.002 0.000 0.824 304 E CB -0.243 29.454 29.700 -0.003 0.000 0.762 304 E HN 0.283 nan 8.360 nan 0.000 0.454 305 I N 0.618 121.185 120.570 -0.004 0.000 3.164 305 I HA -0.081 4.089 4.170 -0.000 0.000 0.278 305 I C 0.968 177.083 176.117 -0.004 0.000 1.320 305 I CA 0.622 61.919 61.300 -0.005 0.000 1.422 305 I CB -0.838 37.158 38.000 -0.006 0.000 1.066 305 I HN 0.304 nan 8.210 nan 0.000 0.503 306 G N 1.748 110.547 108.800 -0.003 0.000 2.289 306 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.280 306 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.280 306 G C -0.033 174.865 174.900 -0.003 0.000 1.089 306 G CA -0.171 44.928 45.100 -0.002 0.000 0.939 306 G HN 0.291 nan 8.290 nan 0.000 0.499 307 M N -0.557 119.041 119.600 -0.003 0.000 2.654 307 M HA 0.655 5.135 4.480 -0.000 0.000 0.310 307 M C 0.231 176.529 176.300 -0.004 0.000 1.211 307 M CA -0.495 54.803 55.300 -0.004 0.000 0.947 307 M CB 1.765 34.361 32.600 -0.006 0.000 1.647 307 M HN 0.237 nan 8.290 nan 0.000 0.481 308 E N 0.845 121.042 120.200 -0.005 0.000 2.292 308 E HA 0.307 4.657 4.350 -0.000 0.000 0.272 308 E C 0.016 176.612 176.600 -0.007 0.000 0.881 308 E CA -0.449 55.948 56.400 -0.005 0.000 0.754 308 E CB 2.467 32.164 29.700 -0.005 0.000 1.201 308 E HN 0.628 nan 8.360 nan 0.000 0.425 309 L N 1.588 122.808 121.223 -0.005 0.000 2.191 309 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 309 L C 1.494 178.357 176.870 -0.012 0.000 1.103 309 L CA 1.208 56.043 54.840 -0.008 0.000 0.769 309 L CB -0.184 41.873 42.059 -0.003 0.000 0.908 309 L HN 0.547 nan 8.230 nan 0.000 0.438 310 E N 0.280 120.474 120.200 -0.010 0.000 2.204 310 E HA -0.138 4.212 4.350 -0.000 0.000 0.194 310 E C 1.287 177.878 176.600 -0.016 0.000 0.989 310 E CA 0.878 57.271 56.400 -0.012 0.000 0.824 310 E CB 0.034 29.729 29.700 -0.008 0.000 0.756 310 E HN 0.332 nan 8.360 nan 0.000 0.477 311 K N 0.181 120.572 120.400 -0.015 0.000 2.493 311 K HA 0.369 4.689 4.320 -0.000 0.000 0.207 311 K C -0.360 176.228 176.600 -0.021 0.000 1.033 311 K CA -0.195 56.083 56.287 -0.016 0.000 1.161 311 K CB 1.112 33.604 32.500 -0.012 0.000 0.873 311 K HN -0.026 nan 8.250 nan 0.000 0.491 312 A N 1.606 124.411 122.820 -0.025 0.000 2.290 312 A HA 0.369 4.689 4.320 -0.000 0.000 0.310 312 A C 0.323 177.878 177.584 -0.048 0.000 1.202 312 A CA -0.471 51.547 52.037 -0.032 0.000 0.837 312 A CB 0.407 19.389 19.000 -0.029 0.000 1.139 312 A HN 0.231 nan 8.150 nan 0.000 0.509 313 T N 0.048 114.570 114.554 -0.053 0.000 2.938 313 T HA 0.513 4.863 4.350 -0.000 0.000 0.285 313 T C 1.188 175.821 174.700 -0.111 0.000 1.028 313 T CA -0.770 61.285 62.100 -0.076 0.000 1.005 313 T CB 0.579 69.413 68.868 -0.056 0.000 1.157 313 T HN 0.349 nan 8.240 nan 0.000 0.550 314 L N 0.101 121.221 121.223 -0.172 0.000 2.129 314 L HA -0.137 4.203 4.340 -0.000 0.000 0.212 314 L C 2.951 179.752 176.870 -0.116 0.000 1.087 314 L CA 1.867 56.537 54.840 -0.283 0.000 0.757 314 L CB -0.588 41.249 42.059 -0.368 0.000 0.896 314 L HN 0.898 nan 8.230 nan 0.000 0.434 315 E N 0.164 120.332 120.200 -0.054 0.000 2.160 315 E HA -0.254 4.096 4.350 -0.000 0.000 0.195 315 E C 1.411 178.016 176.600 0.008 0.000 0.991 315 E CA 1.411 57.810 56.400 -0.002 0.000 0.810 315 E CB 0.126 29.822 29.700 -0.006 0.000 0.742 315 E HN 0.498 nan 8.360 nan 0.000 0.466 316 D N -0.054 120.339 120.400 -0.011 0.000 2.277 316 D HA -0.042 4.597 4.640 -0.000 0.000 0.208 316 D C 0.159 176.469 176.300 0.017 0.000 0.962 316 D CA 0.234 54.233 54.000 -0.001 0.000 0.865 316 D CB 0.127 40.919 40.800 -0.013 0.000 0.939 316 D HN 0.120 nan 8.370 nan 0.000 0.510 317 L N 0.950 122.186 121.223 0.022 0.000 2.426 317 L HA 0.252 4.592 4.340 -0.000 0.000 0.271 317 L C 1.457 178.415 176.870 0.145 0.000 1.169 317 L CA 0.113 55.001 54.840 0.081 0.000 0.836 317 L CB 0.643 42.745 42.059 0.073 0.000 1.112 317 L HN -0.160 nan 8.230 nan 0.000 0.465 318 G N 1.494 110.371 108.800 0.128 0.000 2.588 318 G HA2 0.528 4.487 3.960 -0.000 0.000 0.281 318 G HA3 0.528 4.487 3.960 -0.000 0.000 0.281 318 G C -0.978 173.992 174.900 0.117 0.000 1.236 318 G CA -0.207 44.952 45.100 0.098 0.000 0.969 318 G HN 0.577 nan 8.290 nan 0.000 0.504 319 Q N -2.032 117.794 119.800 0.043 0.000 2.479 319 Q HA 0.558 4.898 4.340 -0.000 0.000 0.276 319 Q C -1.412 174.564 176.000 -0.039 0.000 0.989 319 Q CA -0.690 55.094 55.803 -0.032 0.000 0.864 319 Q CB 2.098 30.788 28.738 -0.079 0.000 1.444 319 Q HN 1.107 nan 8.270 nan 0.000 0.388 320 A N 1.922 124.701 122.820 -0.068 0.000 2.612 320 A HA 0.420 4.740 4.320 -0.000 0.000 0.293 320 A C -0.694 176.852 177.584 -0.064 0.000 1.075 320 A CA -0.607 51.404 52.037 -0.045 0.000 0.680 320 A CB 1.585 20.578 19.000 -0.013 0.000 1.279 320 A HN 0.793 nan 8.150 nan 0.000 0.411 321 K N -0.483 119.889 120.400 -0.047 0.000 2.211 321 K HA -0.006 4.314 4.320 -0.000 0.000 0.203 321 K C 0.696 177.273 176.600 -0.040 0.000 1.050 321 K CA 1.390 57.649 56.287 -0.048 0.000 0.945 321 K CB 0.117 32.597 32.500 -0.034 0.000 0.732 321 K HN 0.547 nan 8.250 nan 0.000 0.451 322 R N -0.235 120.249 120.500 -0.027 0.000 2.644 322 R HA 0.153 4.493 4.340 -0.000 0.000 0.257 322 R C -1.987 174.309 176.300 -0.006 0.000 1.082 322 R CA -0.558 55.532 56.100 -0.018 0.000 0.927 322 R CB 1.592 31.884 30.300 -0.013 0.000 1.258 322 R HN -0.050 nan 8.270 nan 0.000 0.459 323 V N 0.576 120.488 119.914 -0.003 0.000 2.876 323 V HA 0.883 5.003 4.120 -0.000 0.000 0.312 323 V C -1.342 174.753 176.094 0.001 0.000 1.085 323 V CA -0.620 61.683 62.300 0.004 0.000 0.945 323 V CB 2.222 34.053 31.823 0.012 0.000 1.017 323 V HN 0.437 nan 8.190 nan 0.000 0.428 324 V N 5.263 125.173 119.914 -0.007 0.000 2.577 324 V HA 0.581 4.701 4.120 -0.000 0.000 0.303 324 V C -0.360 175.723 176.094 -0.019 0.000 1.042 324 V CA -0.307 61.993 62.300 -0.000 0.000 0.872 324 V CB 1.601 33.428 31.823 0.007 0.000 0.998 324 V HN 0.868 nan 8.190 nan 0.000 0.423 325 I N 4.271 124.850 120.570 0.016 0.000 2.433 325 I HA 0.530 4.700 4.170 -0.000 0.000 0.292 325 I C -0.073 176.093 176.117 0.081 0.000 1.001 325 I CA -0.483 60.825 61.300 0.014 0.000 1.119 325 I CB 1.936 39.974 38.000 0.064 0.000 1.289 325 I HN 0.546 nan 8.210 nan 0.000 0.438 326 N N 3.857 122.538 118.700 -0.033 0.000 2.776 326 N HA 0.261 5.000 4.740 -0.000 0.000 0.319 326 N C 0.804 176.082 175.510 -0.387 0.000 1.316 326 N CA -0.598 52.416 53.050 -0.059 0.000 0.890 326 N CB 0.913 39.338 38.487 -0.103 0.000 1.165 326 N HN 0.524 nan 8.380 nan 0.000 0.596 327 K N 0.104 120.262 120.400 -0.403 0.000 2.155 327 K HA -0.094 4.226 4.320 -0.000 0.000 0.203 327 K C -0.573 175.720 176.600 -0.512 0.000 1.052 327 K CA 1.634 57.496 56.287 -0.708 0.000 0.948 327 K CB 0.057 32.397 32.500 -0.267 0.000 0.728 327 K HN 0.520 nan 8.250 nan 0.000 0.448 328 D N -0.967 119.248 120.400 -0.307 0.000 2.651 328 D HA 0.112 4.752 4.640 -0.000 0.000 0.280 328 D C -0.829 175.362 176.300 -0.182 0.000 1.496 328 D CA -0.381 53.491 54.000 -0.212 0.000 0.792 328 D CB 1.159 41.877 40.800 -0.136 0.000 1.144 328 D HN -0.153 nan 8.370 nan 0.000 0.470 329 T N -0.094 114.331 114.554 -0.215 0.000 3.032 329 T HA 0.520 4.870 4.350 -0.000 0.000 0.312 329 T C -1.268 173.254 174.700 -0.297 0.000 1.078 329 T CA -0.331 61.632 62.100 -0.228 0.000 1.028 329 T CB 1.892 70.675 68.868 -0.143 0.000 1.091 329 T HN -0.130 nan 8.240 nan 0.000 0.457 330 T N 2.543 116.781 114.554 -0.526 0.000 2.792 330 T HA 0.659 5.009 4.350 -0.000 0.000 0.280 330 T C -0.469 173.941 174.700 -0.484 0.000 0.990 330 T CA -0.538 61.210 62.100 -0.586 0.000 0.960 330 T CB 1.495 69.762 68.868 -1.002 0.000 0.939 330 T HN 0.609 nan 8.240 nan 0.000 0.439 331 T N 3.426 117.862 114.554 -0.197 0.000 2.881 331 T HA 0.603 4.953 4.350 -0.000 0.000 0.291 331 T C -0.666 174.039 174.700 0.007 0.000 0.990 331 T CA -0.713 61.349 62.100 -0.063 0.000 0.976 331 T CB 0.153 68.998 68.868 -0.039 0.000 0.970 331 T HN 0.481 nan 8.240 nan 0.000 0.438 332 I N 6.257 126.869 120.570 0.070 0.000 2.301 332 I HA 0.380 4.550 4.170 -0.000 0.000 0.292 332 I C -0.025 176.117 176.117 0.041 0.000 1.046 332 I CA -0.654 60.688 61.300 0.070 0.000 1.282 332 I CB 0.898 38.965 38.000 0.111 0.000 1.409 332 I HN 0.566 nan 8.210 nan 0.000 0.484 333 I N 6.160 126.743 120.570 0.021 0.000 2.307 333 I HA 0.206 4.376 4.170 -0.000 0.000 0.289 333 I C -0.319 175.800 176.117 0.003 0.000 1.021 333 I CA -0.294 61.012 61.300 0.010 0.000 1.224 333 I CB 0.681 38.683 38.000 0.003 0.000 1.376 333 I HN 0.593 nan 8.210 nan 0.000 0.470 334 D N 5.090 125.492 120.400 0.004 0.000 3.515 334 D HA -0.108 4.532 4.640 -0.000 0.000 0.247 334 D C 0.120 176.417 176.300 -0.005 0.000 1.084 334 D CA 0.865 54.864 54.000 -0.003 0.000 1.030 334 D CB -0.238 40.556 40.800 -0.009 0.000 0.946 334 D HN 0.815 nan 8.370 nan 0.000 0.420 335 G N 0.775 109.576 108.800 0.001 0.000 2.444 335 G HA2 0.415 4.375 3.960 -0.000 0.000 0.268 335 G HA3 0.415 4.375 3.960 -0.000 0.000 0.268 335 G C 1.370 176.268 174.900 -0.004 0.000 1.203 335 G CA -0.385 44.715 45.100 0.000 0.000 0.835 335 G HN 0.395 nan 8.290 nan 0.000 0.543 336 V N 2.253 122.162 119.914 -0.008 0.000 3.305 336 V HA 0.018 4.138 4.120 -0.000 0.000 0.269 336 V C 2.137 178.231 176.094 0.000 0.000 1.157 336 V CA 0.698 62.994 62.300 -0.007 0.000 1.157 336 V CB -1.285 30.532 31.823 -0.010 0.000 0.772 336 V HN 0.826 nan 8.190 nan 0.000 0.498 337 G N 0.894 109.696 108.800 0.002 0.000 2.460 337 G HA2 0.019 3.979 3.960 -0.000 0.000 0.230 337 G HA3 0.019 3.979 3.960 -0.000 0.000 0.230 337 G C -0.002 174.898 174.900 0.001 0.000 1.248 337 G CA -0.201 44.901 45.100 0.003 0.000 0.863 337 G HN 0.306 nan 8.290 nan 0.000 0.549 338 E N 1.509 121.710 120.200 0.001 0.000 2.316 338 E HA 0.044 4.394 4.350 -0.000 0.000 0.275 338 E C 1.272 177.871 176.600 -0.001 0.000 1.029 338 E CA -0.451 55.949 56.400 0.000 0.000 0.871 338 E CB 1.090 30.791 29.700 0.001 0.000 1.022 338 E HN 0.561 nan 8.360 nan 0.000 0.418 339 E N 2.103 122.302 120.200 -0.002 0.000 2.233 339 E HA -0.235 4.115 4.350 -0.000 0.000 0.199 339 E C 1.497 178.096 176.600 -0.003 0.000 1.004 339 E CA 1.280 57.678 56.400 -0.002 0.000 0.819 339 E CB -0.246 29.453 29.700 -0.002 0.000 0.738 339 E HN 0.536 nan 8.360 nan 0.000 0.478 340 A N 1.487 124.306 122.820 -0.002 0.000 1.874 340 A HA 0.121 4.441 4.320 -0.000 0.000 0.214 340 A C 2.464 180.046 177.584 -0.004 0.000 1.189 340 A CA 1.720 53.756 52.037 -0.003 0.000 0.615 340 A CB -0.637 18.362 19.000 -0.002 0.000 0.830 340 A HN 0.287 nan 8.150 nan 0.000 0.443 341 A N 0.184 123.003 122.820 -0.003 0.000 1.858 341 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 341 A C 2.142 179.722 177.584 -0.006 0.000 1.190 341 A CA 1.586 53.621 52.037 -0.004 0.000 0.617 341 A CB -0.738 18.260 19.000 -0.003 0.000 0.827 341 A HN 0.476 nan 8.150 nan 0.000 0.443 342 I N -1.059 119.508 120.570 -0.005 0.000 2.069 342 I HA -0.318 3.852 4.170 -0.000 0.000 0.237 342 I C 2.797 178.909 176.117 -0.007 0.000 1.053 342 I CA 1.965 63.261 61.300 -0.006 0.000 1.311 342 I CB -0.414 37.584 38.000 -0.004 0.000 1.030 342 I HN 0.319 nan 8.210 nan 0.000 0.398 343 Q N 0.956 120.752 119.800 -0.006 0.000 2.234 343 Q HA -0.147 4.193 4.340 -0.000 0.000 0.206 343 Q C 2.006 178.001 176.000 -0.007 0.000 0.980 343 Q CA 1.828 57.627 55.803 -0.006 0.000 0.869 343 Q CB -0.677 28.058 28.738 -0.005 0.000 0.912 343 Q HN 0.571 nan 8.270 nan 0.000 0.436 344 G N -0.528 108.267 108.800 -0.008 0.000 2.403 344 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.216 344 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.216 344 G C 1.538 176.431 174.900 -0.011 0.000 1.154 344 G CA 0.713 45.808 45.100 -0.008 0.000 0.784 344 G HN 0.284 nan 8.290 nan 0.000 0.538 345 R N 0.466 120.958 120.500 -0.012 0.000 2.075 345 R HA 0.017 4.357 4.340 -0.000 0.000 0.232 345 R C 2.503 178.793 176.300 -0.017 0.000 1.126 345 R CA 1.338 57.429 56.100 -0.016 0.000 0.963 345 R CB -0.916 29.374 30.300 -0.017 0.000 0.858 345 R HN 0.180 nan 8.270 nan 0.000 0.435 346 V N 1.042 120.948 119.914 -0.014 0.000 2.469 346 V HA -0.231 3.889 4.120 -0.000 0.000 0.251 346 V C 2.332 178.418 176.094 -0.014 0.000 1.064 346 V CA 1.843 64.134 62.300 -0.014 0.000 1.066 346 V CB -1.000 30.817 31.823 -0.011 0.000 0.667 346 V HN 0.532 nan 8.190 nan 0.000 0.461 347 A N -0.500 122.312 122.820 -0.012 0.000 1.855 347 A HA -0.256 4.064 4.320 -0.000 0.000 0.215 347 A C 2.193 179.768 177.584 -0.014 0.000 1.191 347 A CA 1.809 53.839 52.037 -0.012 0.000 0.613 347 A CB -0.463 18.531 19.000 -0.010 0.000 0.829 347 A HN 0.595 nan 8.150 nan 0.000 0.442 348 Q N -0.279 119.512 119.800 -0.015 0.000 2.014 348 Q HA -0.180 4.160 4.340 -0.000 0.000 0.207 348 Q C 2.080 178.068 176.000 -0.020 0.000 0.993 348 Q CA 1.870 57.663 55.803 -0.017 0.000 0.850 348 Q CB -0.477 28.250 28.738 -0.018 0.000 0.916 348 Q HN 0.719 nan 8.270 nan 0.000 0.417 349 I N 0.312 120.869 120.570 -0.023 0.000 2.248 349 I HA -0.301 3.869 4.170 -0.000 0.000 0.248 349 I C 2.568 178.670 176.117 -0.025 0.000 1.107 349 I CA 1.215 62.498 61.300 -0.027 0.000 1.373 349 I CB -0.296 37.686 38.000 -0.030 0.000 1.055 349 I HN 0.166 nan 8.210 nan 0.000 0.418 350 R N 0.198 120.686 120.500 -0.020 0.000 2.236 350 R HA -0.104 4.235 4.340 -0.000 0.000 0.208 350 R C 2.307 178.598 176.300 -0.016 0.000 1.036 350 R CA 0.651 56.741 56.100 -0.017 0.000 1.001 350 R CB 0.101 30.393 30.300 -0.014 0.000 0.896 350 R HN 0.300 nan 8.270 nan 0.000 0.464 351 Q N 0.095 119.886 119.800 -0.016 0.000 2.123 351 Q HA -0.078 4.262 4.340 -0.000 0.000 0.196 351 Q C 1.862 177.853 176.000 -0.015 0.000 0.958 351 Q CA 1.106 56.901 55.803 -0.013 0.000 0.841 351 Q CB 0.230 28.960 28.738 -0.012 0.000 0.915 351 Q HN 0.417 nan 8.270 nan 0.000 0.455 352 Q N 0.399 120.187 119.800 -0.019 0.000 2.152 352 Q HA -0.156 4.184 4.340 -0.000 0.000 0.206 352 Q C 2.200 178.187 176.000 -0.020 0.000 0.985 352 Q CA 1.098 56.889 55.803 -0.021 0.000 0.863 352 Q CB -0.409 28.312 28.738 -0.028 0.000 0.904 352 Q HN 0.450 nan 8.270 nan 0.000 0.422 353 I N 1.192 121.749 120.570 -0.022 0.000 2.315 353 I HA -0.265 3.905 4.170 -0.000 0.000 0.251 353 I C 2.185 178.293 176.117 -0.014 0.000 1.125 353 I CA 1.087 62.374 61.300 -0.021 0.000 1.392 353 I CB -0.286 37.701 38.000 -0.021 0.000 1.065 353 I HN 0.149 nan 8.210 nan 0.000 0.424 354 E N 1.087 121.280 120.200 -0.012 0.000 2.028 354 E HA -0.154 4.196 4.350 -0.000 0.000 0.190 354 E C 1.694 178.290 176.600 -0.006 0.000 0.984 354 E CA 1.042 57.438 56.400 -0.008 0.000 0.800 354 E CB -0.370 29.325 29.700 -0.007 0.000 0.758 354 E HN 0.573 nan 8.360 nan 0.000 0.448 355 E N 1.083 121.279 120.200 -0.008 0.000 2.505 355 E HA 0.138 4.488 4.350 -0.000 0.000 0.197 355 E C 0.020 176.617 176.600 -0.005 0.000 1.111 355 E CA -0.102 56.294 56.400 -0.006 0.000 0.887 355 E CB 0.055 29.750 29.700 -0.007 0.000 0.913 355 E HN 0.062 nan 8.360 nan 0.000 0.517 356 A N 1.433 124.250 122.820 -0.006 0.000 2.404 356 A HA 0.125 4.445 4.320 -0.000 0.000 0.273 356 A C 1.274 178.860 177.584 0.004 0.000 1.144 356 A CA -0.299 51.736 52.037 -0.003 0.000 0.806 356 A CB 0.132 19.127 19.000 -0.008 0.000 1.080 356 A HN 0.223 nan 8.150 nan 0.000 0.509 357 T N -0.521 114.039 114.554 0.009 0.000 3.107 357 T HA 0.293 4.643 4.350 -0.000 0.000 0.249 357 T C 0.690 175.403 174.700 0.021 0.000 1.096 357 T CA 0.603 62.711 62.100 0.013 0.000 1.012 357 T CB -0.162 68.714 68.868 0.013 0.000 0.977 357 T HN 0.748 nan 8.240 nan 0.000 0.527 358 S N -1.003 114.714 115.700 0.029 0.000 2.627 358 S HA 0.386 4.856 4.470 -0.000 0.000 0.283 358 S C -0.165 174.464 174.600 0.049 0.000 1.127 358 S CA -0.679 57.549 58.200 0.047 0.000 0.863 358 S CB 1.791 65.034 63.200 0.072 0.000 1.121 358 S HN 0.108 nan 8.310 nan 0.000 0.479 359 D N 0.523 120.962 120.400 0.066 0.000 2.110 359 D HA -0.055 4.585 4.640 -0.000 0.000 0.202 359 D C 1.395 177.740 176.300 0.074 0.000 0.975 359 D CA 1.088 55.123 54.000 0.059 0.000 0.839 359 D CB -0.299 40.539 40.800 0.063 0.000 0.996 359 D HN 0.646 nan 8.370 nan 0.000 0.464 360 Y N 2.626 122.928 120.300 0.003 0.000 2.096 360 Y HA -0.299 4.251 4.550 -0.000 0.000 0.278 360 Y C 1.555 177.454 175.900 -0.002 0.000 1.192 360 Y CA 2.201 60.303 58.100 0.004 0.000 1.143 360 Y CB -0.470 37.994 38.460 0.007 0.000 0.963 360 Y HN -0.068 nan 8.280 nan 0.000 0.505 361 D N -0.789 119.602 120.400 -0.015 0.000 2.178 361 D HA -0.149 4.491 4.640 -0.000 0.000 0.201 361 D C 2.255 178.486 176.300 -0.115 0.000 0.980 361 D CA 1.508 55.451 54.000 -0.095 0.000 0.842 361 D CB -0.291 40.511 40.800 0.003 0.000 0.948 361 D HN 0.331 nan 8.370 nan 0.000 0.472 362 R N 0.539 120.999 120.500 -0.067 0.000 2.073 362 R HA -0.099 4.241 4.340 -0.000 0.000 0.229 362 R C 1.828 178.080 176.300 -0.081 0.000 1.120 362 R CA 0.991 57.058 56.100 -0.055 0.000 0.967 362 R CB 0.141 30.427 30.300 -0.023 0.000 0.862 362 R HN 0.137 nan 8.270 nan 0.000 0.436 363 E N 0.887 121.026 120.200 -0.101 0.000 2.038 363 E HA -0.214 4.135 4.350 -0.000 0.000 0.195 363 E C 1.858 178.369 176.600 -0.148 0.000 1.000 363 E CA 1.029 57.365 56.400 -0.105 0.000 0.803 363 E CB -0.186 29.453 29.700 -0.101 0.000 0.750 363 E HN 0.189 nan 8.360 nan 0.000 0.448 364 K N 0.835 121.078 120.400 -0.262 0.000 2.113 364 K HA -0.092 4.228 4.320 -0.000 0.000 0.208 364 K C 2.382 178.892 176.600 -0.150 0.000 1.047 364 K CA 0.719 56.855 56.287 -0.252 0.000 0.928 364 K CB -0.496 31.769 32.500 -0.393 0.000 0.716 364 K HN 0.209 nan 8.250 nan 0.000 0.446 365 L N 0.915 122.063 121.223 -0.125 0.000 2.072 365 L HA -0.162 4.178 4.340 -0.000 0.000 0.205 365 L C 2.602 179.434 176.870 -0.062 0.000 1.079 365 L CA 0.944 55.734 54.840 -0.083 0.000 0.752 365 L CB -0.392 41.626 42.059 -0.068 0.000 0.906 365 L HN 0.158 nan 8.230 nan 0.000 0.436 366 Q N 0.224 119.989 119.800 -0.059 0.000 2.096 366 Q HA -0.245 4.095 4.340 -0.000 0.000 0.204 366 Q C 2.022 178.001 176.000 -0.035 0.000 0.982 366 Q CA 1.537 57.316 55.803 -0.040 0.000 0.850 366 Q CB -0.224 28.493 28.738 -0.035 0.000 0.901 366 Q HN 0.591 nan 8.270 nan 0.000 0.422 367 E N 0.408 120.581 120.200 -0.045 0.000 2.058 367 E HA -0.185 4.164 4.350 -0.000 0.000 0.194 367 E C 2.173 178.758 176.600 -0.024 0.000 0.997 367 E CA 0.878 57.259 56.400 -0.031 0.000 0.801 367 E CB -0.059 29.618 29.700 -0.038 0.000 0.746 367 E HN 0.273 nan 8.360 nan 0.000 0.450 368 R N 0.337 120.815 120.500 -0.037 0.000 2.081 368 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 368 R C 2.686 178.971 176.300 -0.024 0.000 1.131 368 R CA 1.665 57.746 56.100 -0.033 0.000 0.960 368 R CB -0.611 29.660 30.300 -0.047 0.000 0.856 368 R HN 0.231 nan 8.270 nan 0.000 0.436 369 V N -1.681 118.218 119.914 -0.024 0.000 2.515 369 V HA -0.058 4.062 4.120 -0.000 0.000 0.250 369 V C 2.297 178.384 176.094 -0.011 0.000 1.058 369 V CA 1.606 63.896 62.300 -0.018 0.000 1.064 369 V CB -0.875 30.937 31.823 -0.018 0.000 0.675 369 V HN 0.230 nan 8.190 nan 0.000 0.461 370 A N 0.761 123.576 122.820 -0.009 0.000 1.877 370 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 370 A C 2.345 179.932 177.584 0.004 0.000 1.186 370 A CA 2.238 54.273 52.037 -0.003 0.000 0.620 370 A CB -0.583 18.416 19.000 -0.002 0.000 0.822 370 A HN 0.587 nan 8.150 nan 0.000 0.443 371 K N -1.037 119.367 120.400 0.007 0.000 1.985 371 K HA -0.118 4.201 4.320 -0.000 0.000 0.210 371 K C 1.928 178.536 176.600 0.013 0.000 1.047 371 K CA 1.412 57.710 56.287 0.018 0.000 0.932 371 K CB -0.423 32.092 32.500 0.025 0.000 0.716 371 K HN 0.297 nan 8.250 nan 0.000 0.439 372 L N 0.951 122.176 121.223 0.003 0.000 1.943 372 L HA -0.198 4.142 4.340 -0.000 0.000 0.215 372 L C 2.329 179.200 176.870 0.001 0.000 1.074 372 L CA 2.134 56.974 54.840 0.000 0.000 0.759 372 L CB -1.031 41.023 42.059 -0.009 0.000 0.888 372 L HN 0.216 nan 8.230 nan 0.000 0.433 373 A N -1.113 121.706 122.820 -0.002 0.000 2.019 373 A HA -0.072 4.248 4.320 -0.000 0.000 0.219 373 A C 2.295 179.880 177.584 0.001 0.000 1.164 373 A CA 1.511 53.547 52.037 -0.001 0.000 0.644 373 A CB -1.310 17.688 19.000 -0.004 0.000 0.805 373 A HN 0.536 nan 8.150 nan 0.000 0.449 374 G N -0.995 107.807 108.800 0.004 0.000 2.402 374 G HA2 0.336 4.295 3.960 -0.000 0.000 0.216 374 G HA3 0.336 4.295 3.960 -0.000 0.000 0.216 374 G C 1.225 176.129 174.900 0.007 0.000 1.162 374 G CA 0.863 45.966 45.100 0.006 0.000 0.777 374 G HN 1.727 nan 8.290 nan 0.000 0.539 375 G N -1.824 106.982 108.800 0.010 0.000 2.632 375 G HA2 0.046 4.006 3.960 -0.000 0.000 0.224 375 G HA3 0.046 4.006 3.960 -0.000 0.000 0.224 375 G C -0.744 174.164 174.900 0.013 0.000 1.341 375 G CA -0.249 44.857 45.100 0.010 0.000 0.880 375 G HN 1.110 nan 8.290 nan 0.000 0.566 376 V N 0.379 120.299 119.914 0.010 0.000 2.668 376 V HA 0.710 4.830 4.120 -0.000 0.000 0.304 376 V C 0.709 176.805 176.094 0.004 0.000 1.071 376 V CA -0.056 62.250 62.300 0.009 0.000 0.894 376 V CB 1.298 33.128 31.823 0.012 0.000 1.008 376 V HN 2.186 nan 8.190 nan 0.000 0.425 377 A N 4.445 127.266 122.820 0.001 0.000 2.401 377 A HA 0.709 5.029 4.320 -0.000 0.000 0.259 377 A C -0.409 177.172 177.584 -0.005 0.000 1.103 377 A CA -0.195 51.840 52.037 -0.003 0.000 0.789 377 A CB 0.671 19.669 19.000 -0.004 0.000 1.035 377 A HN 0.818 nan 8.150 nan 0.000 0.491 378 V N 4.523 124.433 119.914 -0.007 0.000 2.407 378 V HA 0.287 4.407 4.120 -0.000 0.000 0.291 378 V C -0.302 175.784 176.094 -0.012 0.000 1.018 378 V CA -0.117 62.177 62.300 -0.010 0.000 0.842 378 V CB 1.212 33.030 31.823 -0.008 0.000 0.996 378 V HN 0.734 nan 8.190 nan 0.000 0.426 379 I N 4.800 125.360 120.570 -0.016 0.000 2.304 379 I HA 0.390 4.560 4.170 -0.000 0.000 0.291 379 I C 0.219 176.326 176.117 -0.017 0.000 1.018 379 I CA -0.393 60.896 61.300 -0.018 0.000 1.260 379 I CB 1.098 39.083 38.000 -0.024 0.000 1.390 379 I HN 0.469 nan 8.210 nan 0.000 0.475 380 K N 5.564 125.956 120.400 -0.014 0.000 2.263 380 K HA 0.431 4.751 4.320 -0.000 0.000 0.272 380 K C -0.799 175.792 176.600 -0.014 0.000 1.033 380 K CA -0.534 55.745 56.287 -0.013 0.000 0.884 380 K CB 1.656 34.150 32.500 -0.011 0.000 1.107 380 K HN 0.338 nan 8.250 nan 0.000 0.460 381 V N 3.038 122.943 119.914 -0.014 0.000 2.488 381 V HA 0.260 4.380 4.120 -0.000 0.000 0.277 381 V C 0.850 176.937 176.094 -0.011 0.000 1.046 381 V CA -0.563 61.728 62.300 -0.014 0.000 0.986 381 V CB 1.053 32.866 31.823 -0.016 0.000 0.989 381 V HN 0.884 nan 8.190 nan 0.000 0.475 382 G N 2.905 111.699 108.800 -0.010 0.000 2.461 382 G HA2 0.843 4.803 3.960 -0.000 0.000 0.329 382 G HA3 0.843 4.803 3.960 -0.000 0.000 0.329 382 G C -0.550 174.345 174.900 -0.008 0.000 1.170 382 G CA 0.029 45.123 45.100 -0.009 0.000 0.935 382 G HN 1.279 nan 8.290 nan 0.000 0.492 383 A N -1.102 121.713 122.820 -0.007 0.000 2.544 383 A HA 0.739 5.058 4.320 -0.000 0.000 0.291 383 A C 0.655 178.236 177.584 -0.006 0.000 1.055 383 A CA 0.416 52.449 52.037 -0.006 0.000 0.651 383 A CB 0.405 19.401 19.000 -0.007 0.000 1.296 383 A HN 1.861 nan 8.150 nan 0.000 0.431 384 A N -0.324 122.493 122.820 -0.005 0.000 1.970 384 A HA 0.436 4.756 4.320 -0.000 0.000 0.216 384 A C 1.282 178.863 177.584 -0.004 0.000 1.170 384 A CA 2.322 54.357 52.037 -0.004 0.000 0.645 384 A CB -0.504 18.494 19.000 -0.004 0.000 0.816 384 A HN 2.247 nan 8.150 nan 0.000 0.447 385 T N -4.485 110.067 114.554 -0.004 0.000 2.916 385 T HA 0.460 4.810 4.350 -0.000 0.000 0.292 385 T C 0.456 175.154 174.700 -0.004 0.000 1.055 385 T CA 0.066 62.163 62.100 -0.004 0.000 1.009 385 T CB 1.890 70.756 68.868 -0.003 0.000 1.118 385 T HN 0.241 nan 8.240 nan 0.000 0.497 386 E N 0.444 120.642 120.200 -0.004 0.000 2.110 386 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 386 E C 1.820 178.418 176.600 -0.003 0.000 0.988 386 E CA 1.423 57.821 56.400 -0.004 0.000 0.804 386 E CB -0.205 29.493 29.700 -0.003 0.000 0.745 386 E HN 0.571 nan 8.360 nan 0.000 0.458 387 V N 1.448 121.360 119.914 -0.003 0.000 2.255 387 V HA -0.277 3.843 4.120 -0.000 0.000 0.247 387 V C 2.166 178.258 176.094 -0.003 0.000 1.051 387 V CA 2.320 64.618 62.300 -0.003 0.000 1.018 387 V CB -0.716 31.106 31.823 -0.002 0.000 0.641 387 V HN 0.291 nan 8.190 nan 0.000 0.445 388 E N -0.308 119.890 120.200 -0.004 0.000 2.077 388 E HA -0.250 4.100 4.350 -0.000 0.000 0.193 388 E C 2.219 178.815 176.600 -0.006 0.000 0.989 388 E CA 1.524 57.922 56.400 -0.005 0.000 0.800 388 E CB -0.289 29.408 29.700 -0.005 0.000 0.746 388 E HN 0.442 nan 8.360 nan 0.000 0.452 389 M N 1.378 120.975 119.600 -0.006 0.000 2.065 389 M HA -0.198 4.282 4.480 -0.000 0.000 0.259 389 M C 1.834 178.130 176.300 -0.007 0.000 1.071 389 M CA 1.692 56.988 55.300 -0.007 0.000 1.109 389 M CB -0.301 32.296 32.600 -0.006 0.000 1.313 389 M HN -0.116 nan 8.290 nan 0.000 0.408 390 K N 0.209 120.606 120.400 -0.005 0.000 2.152 390 K HA -0.180 4.140 4.320 -0.000 0.000 0.206 390 K C 1.952 178.550 176.600 -0.005 0.000 1.048 390 K CA 1.194 57.478 56.287 -0.004 0.000 0.933 390 K CB -0.613 31.886 32.500 -0.002 0.000 0.721 390 K HN 0.479 nan 8.250 nan 0.000 0.447 391 E N 1.598 121.795 120.200 -0.005 0.000 2.015 391 E HA -0.179 4.171 4.350 -0.000 0.000 0.191 391 E C 1.949 178.545 176.600 -0.007 0.000 0.991 391 E CA 1.308 57.705 56.400 -0.005 0.000 0.802 391 E CB 0.001 29.698 29.700 -0.004 0.000 0.759 391 E HN 0.171 nan 8.360 nan 0.000 0.447 392 K N 0.856 121.250 120.400 -0.009 0.000 2.152 392 K HA -0.179 4.141 4.320 -0.000 0.000 0.206 392 K C 2.338 178.929 176.600 -0.016 0.000 1.048 392 K CA 1.486 57.766 56.287 -0.012 0.000 0.933 392 K CB -0.104 32.389 32.500 -0.012 0.000 0.721 392 K HN -0.043 nan 8.250 nan 0.000 0.447 393 K N 0.168 120.559 120.400 -0.014 0.000 2.063 393 K HA -0.163 4.157 4.320 -0.000 0.000 0.208 393 K C 1.930 178.517 176.600 -0.021 0.000 1.048 393 K CA 1.361 57.637 56.287 -0.018 0.000 0.928 393 K CB -0.178 32.314 32.500 -0.013 0.000 0.713 393 K HN 0.210 nan 8.250 nan 0.000 0.442 394 A N 1.380 124.192 122.820 -0.013 0.000 1.902 394 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 394 A C 2.089 179.664 177.584 -0.015 0.000 1.181 394 A CA 1.326 53.357 52.037 -0.009 0.000 0.623 394 A CB -0.430 18.570 19.000 -0.001 0.000 0.818 394 A HN 0.323 nan 8.150 nan 0.000 0.443 395 R N -0.736 119.754 120.500 -0.016 0.000 2.115 395 R HA -0.052 4.288 4.340 -0.000 0.000 0.230 395 R C 1.980 178.261 176.300 -0.032 0.000 1.111 395 R CA 1.300 57.389 56.100 -0.018 0.000 0.976 395 R CB -0.382 29.909 30.300 -0.014 0.000 0.870 395 R HN 0.417 nan 8.270 nan 0.000 0.445 396 V N 0.944 120.834 119.914 -0.039 0.000 2.379 396 V HA -0.201 3.919 4.120 -0.000 0.000 0.245 396 V C 1.945 177.982 176.094 -0.094 0.000 1.044 396 V CA 1.684 63.952 62.300 -0.055 0.000 1.036 396 V CB -0.353 31.442 31.823 -0.047 0.000 0.664 396 V HN 0.321 nan 8.190 nan 0.000 0.453 397 E N -0.288 119.850 120.200 -0.103 0.000 2.085 397 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 397 E C 2.019 178.458 176.600 -0.269 0.000 0.994 397 E CA 1.475 57.762 56.400 -0.188 0.000 0.801 397 E CB -0.121 29.519 29.700 -0.101 0.000 0.743 397 E HN 0.577 nan 8.360 nan 0.000 0.453 398 D N -0.046 120.297 120.400 -0.095 0.000 2.077 398 D HA -0.098 4.542 4.640 -0.000 0.000 0.196 398 D C 1.980 178.261 176.300 -0.032 0.000 0.986 398 D CA 1.235 55.229 54.000 -0.011 0.000 0.829 398 D CB -0.105 40.708 40.800 0.022 0.000 0.983 398 D HN 0.112 nan 8.370 nan 0.000 0.453 399 A N 0.912 123.708 122.820 -0.040 0.000 1.986 399 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 399 A C 2.159 179.715 177.584 -0.046 0.000 1.171 399 A CA 1.076 53.095 52.037 -0.029 0.000 0.640 399 A CB -0.648 18.334 19.000 -0.029 0.000 0.811 399 A HN 0.268 nan 8.150 nan 0.000 0.451 400 L N -0.689 120.466 121.223 -0.114 0.000 2.005 400 L HA -0.154 4.186 4.340 -0.000 0.000 0.207 400 L C 2.442 179.265 176.870 -0.079 0.000 1.072 400 L CA 2.251 57.012 54.840 -0.132 0.000 0.744 400 L CB -0.843 41.082 42.059 -0.224 0.000 0.895 400 L HN 0.528 nan 8.230 nan 0.000 0.433 401 H N -0.320 118.749 119.070 -0.001 0.000 2.352 401 H HA -0.088 4.467 4.556 -0.000 0.000 0.299 401 H C 2.140 177.469 175.328 0.002 0.000 1.097 401 H CA 1.408 57.456 56.048 -0.000 0.000 1.311 401 H CB -0.782 28.979 29.762 -0.001 0.000 1.377 401 H HN 0.492 nan 8.280 nan 0.000 0.504 402 A N 0.646 123.538 122.820 0.120 0.000 1.865 402 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 402 A C 2.679 180.290 177.584 0.044 0.000 1.191 402 A CA 2.558 54.635 52.037 0.067 0.000 0.623 402 A CB -1.084 17.942 19.000 0.042 0.000 0.826 402 A HN 0.450 nan 8.150 nan 0.000 0.444 403 T N -0.675 113.895 114.554 0.028 0.000 2.788 403 T HA -0.121 4.229 4.350 -0.000 0.000 0.268 403 T C 2.138 176.852 174.700 0.024 0.000 1.044 403 T CA 1.229 63.339 62.100 0.017 0.000 1.139 403 T CB -0.247 68.623 68.868 0.003 0.000 0.867 403 T HN 0.282 nan 8.240 nan 0.000 0.454 404 R N 1.267 121.789 120.500 0.036 0.000 2.083 404 R HA 0.037 4.376 4.340 -0.000 0.000 0.237 404 R C 2.599 178.923 176.300 0.040 0.000 1.137 404 R CA 1.750 57.875 56.100 0.042 0.000 0.951 404 R CB -1.017 29.325 30.300 0.071 0.000 0.851 404 R HN 0.449 nan 8.270 nan 0.000 0.434 405 A N 0.155 123.003 122.820 0.047 0.000 1.929 405 A HA 0.004 4.324 4.320 -0.000 0.000 0.216 405 A C 2.314 179.915 177.584 0.028 0.000 1.176 405 A CA 1.575 53.634 52.037 0.037 0.000 0.628 405 A CB -0.487 18.537 19.000 0.041 0.000 0.816 405 A HN 0.386 nan 8.150 nan 0.000 0.444 406 A N -0.509 122.327 122.820 0.026 0.000 1.898 406 A HA 0.003 4.323 4.320 -0.000 0.000 0.216 406 A C 2.178 179.772 177.584 0.017 0.000 1.181 406 A CA 1.692 53.741 52.037 0.020 0.000 0.620 406 A CB -0.891 18.120 19.000 0.017 0.000 0.819 406 A HN 0.364 nan 8.150 nan 0.000 0.442 407 V N 0.111 120.035 119.914 0.017 0.000 2.490 407 V HA -0.260 3.860 4.120 -0.000 0.000 0.250 407 V C 2.399 178.503 176.094 0.015 0.000 1.061 407 V CA 2.276 64.585 62.300 0.015 0.000 1.064 407 V CB -0.722 31.110 31.823 0.015 0.000 0.670 407 V HN 0.634 nan 8.190 nan 0.000 0.461 408 E N -0.295 119.916 120.200 0.018 0.000 2.072 408 E HA -0.150 4.200 4.350 -0.000 0.000 0.190 408 E C 1.481 178.090 176.600 0.015 0.000 0.982 408 E CA 1.281 57.692 56.400 0.017 0.000 0.803 408 E CB 0.066 29.778 29.700 0.020 0.000 0.755 408 E HN 0.658 nan 8.360 nan 0.000 0.453 409 E N -0.940 119.269 120.200 0.015 0.000 2.789 409 E HA 0.229 4.578 4.350 -0.000 0.000 0.217 409 E C 0.058 176.666 176.600 0.013 0.000 0.970 409 E CA 0.079 56.487 56.400 0.013 0.000 1.201 409 E CB 1.657 31.364 29.700 0.012 0.000 1.069 409 E HN 0.244 nan 8.360 nan 0.000 0.499 410 G N 1.109 109.917 108.800 0.013 0.000 2.693 410 G HA2 -0.217 3.742 3.960 -0.000 0.000 0.226 410 G HA3 -0.217 3.742 3.960 -0.000 0.000 0.226 410 G C -0.240 174.668 174.900 0.013 0.000 1.354 410 G CA -0.424 44.683 45.100 0.013 0.000 0.873 410 G HN 0.553 nan 8.290 nan 0.000 0.562 411 V N -2.687 117.235 119.914 0.013 0.000 3.040 411 V HA 0.987 5.107 4.120 -0.000 0.000 0.312 411 V C 0.587 176.689 176.094 0.013 0.000 1.115 411 V CA 0.148 62.456 62.300 0.013 0.000 0.998 411 V CB 1.314 33.144 31.823 0.011 0.000 1.042 411 V HN 2.461 nan 8.190 nan 0.000 0.433 412 V N -0.966 118.956 119.914 0.013 0.000 3.167 412 V HA 1.018 5.137 4.120 -0.000 0.000 0.310 412 V C 0.459 176.560 176.094 0.011 0.000 1.207 412 V CA -0.741 61.568 62.300 0.015 0.000 1.059 412 V CB 1.184 33.017 31.823 0.016 0.000 1.079 412 V HN 2.068 nan 8.190 nan 0.000 0.446 413 A N 0.436 123.263 122.820 0.013 0.000 2.511 413 A HA 0.660 4.980 4.320 -0.000 0.000 0.242 413 A C 0.812 178.396 177.584 -0.001 0.000 1.069 413 A CA 0.686 52.725 52.037 0.005 0.000 0.763 413 A CB -0.435 18.569 19.000 0.007 0.000 1.001 413 A HN 1.945 nan 8.150 nan 0.000 0.498 414 G N 0.331 109.125 108.800 -0.010 0.000 2.630 414 G HA2 0.524 4.484 3.960 -0.000 0.000 0.223 414 G HA3 0.524 4.484 3.960 -0.000 0.000 0.223 414 G C 1.125 176.015 174.900 -0.017 0.000 1.434 414 G CA -0.094 45.000 45.100 -0.011 0.000 1.057 414 G HN 2.214 nan 8.290 nan 0.000 0.570 415 G N -1.905 106.884 108.800 -0.019 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 1.531 176.432 174.900 0.001 0.000 1.000 415 G CA 1.316 46.405 45.100 -0.017 0.000 0.718 415 G HN 2.475 nan 8.290 nan 0.000 0.519 416 G N -2.330 106.472 108.800 0.003 0.000 2.148 416 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.254 416 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.254 416 G C 1.755 176.661 174.900 0.011 0.000 0.981 416 G CA 1.836 46.942 45.100 0.009 0.000 0.670 416 G HN 2.225 nan 8.290 nan 0.000 0.528 417 V N -1.698 118.220 119.914 0.007 0.000 2.951 417 V HA 0.485 4.605 4.120 -0.000 0.000 0.255 417 V C 2.659 178.764 176.094 0.019 0.000 1.088 417 V CA 1.819 64.126 62.300 0.011 0.000 1.109 417 V CB -0.259 31.561 31.823 -0.005 0.000 0.724 417 V HN 1.333 nan 8.190 nan 0.000 0.471 418 A N 0.783 123.613 122.820 0.016 0.000 1.877 418 A HA -0.069 4.250 4.320 -0.000 0.000 0.216 418 A C 2.215 179.812 177.584 0.021 0.000 1.186 418 A CA 2.233 54.283 52.037 0.021 0.000 0.620 418 A CB -0.694 18.316 19.000 0.017 0.000 0.822 418 A HN 0.589 nan 8.150 nan 0.000 0.443 419 L N -1.007 120.227 121.223 0.018 0.000 2.056 419 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 419 L C 2.524 179.406 176.870 0.020 0.000 1.078 419 L CA 1.303 56.153 54.840 0.017 0.000 0.749 419 L CB -0.331 41.737 42.059 0.015 0.000 0.901 419 L HN 0.465 nan 8.230 nan 0.000 0.433 420 I N -0.391 120.192 120.570 0.023 0.000 2.315 420 I HA -0.298 3.872 4.170 -0.000 0.000 0.248 420 I C 2.790 178.928 176.117 0.034 0.000 1.117 420 I CA 0.869 62.185 61.300 0.026 0.000 1.404 420 I CB 0.032 38.048 38.000 0.028 0.000 1.071 420 I HN 0.201 nan 8.210 nan 0.000 0.419 421 R N 0.437 120.961 120.500 0.040 0.000 2.070 421 R HA -0.136 4.204 4.340 -0.000 0.000 0.233 421 R C 2.047 178.369 176.300 0.037 0.000 1.137 421 R CA 2.092 58.221 56.100 0.048 0.000 0.945 421 R CB -1.096 29.236 30.300 0.054 0.000 0.845 421 R HN 0.219 nan 8.270 nan 0.000 0.430 422 V N 0.926 120.857 119.914 0.029 0.000 2.332 422 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 422 V C 2.319 178.425 176.094 0.019 0.000 1.055 422 V CA 2.066 64.379 62.300 0.022 0.000 1.038 422 V CB -0.862 30.971 31.823 0.017 0.000 0.651 422 V HN 0.591 nan 8.190 nan 0.000 0.450 423 A N 0.319 123.151 122.820 0.020 0.000 1.902 423 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 423 A C 2.530 180.125 177.584 0.019 0.000 1.181 423 A CA 2.202 54.249 52.037 0.017 0.000 0.623 423 A CB -0.844 18.166 19.000 0.016 0.000 0.818 423 A HN 0.717 nan 8.150 nan 0.000 0.443 424 S N -0.126 115.589 115.700 0.024 0.000 2.440 424 S HA -0.155 4.315 4.470 -0.000 0.000 0.238 424 S C 1.624 176.237 174.600 0.022 0.000 1.010 424 S CA 1.545 59.760 58.200 0.026 0.000 0.972 424 S CB -0.354 62.868 63.200 0.036 0.000 0.774 424 S HN 0.617 nan 8.310 nan 0.000 0.501 425 K N 0.464 120.877 120.400 0.021 0.000 2.361 425 K HA 0.278 4.598 4.320 -0.000 0.000 0.196 425 K C 0.892 177.500 176.600 0.013 0.000 1.039 425 K CA 0.373 56.671 56.287 0.017 0.000 1.001 425 K CB -0.099 32.412 32.500 0.018 0.000 0.795 425 K HN 0.427 nan 8.250 nan 0.000 0.495 426 L N 0.428 121.658 121.223 0.012 0.000 2.791 426 L HA 0.212 4.552 4.340 -0.000 0.000 0.239 426 L C 1.796 178.671 176.870 0.008 0.000 1.203 426 L CA -0.310 54.535 54.840 0.009 0.000 1.002 426 L CB 0.042 42.106 42.059 0.008 0.000 1.295 426 L HN 0.045 nan 8.230 nan 0.000 0.504 427 A N 0.278 123.104 122.820 0.009 0.000 1.917 427 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 427 A C 1.645 179.232 177.584 0.006 0.000 1.182 427 A CA 1.896 53.938 52.037 0.008 0.000 0.633 427 A CB -0.214 18.791 19.000 0.008 0.000 0.819 427 A HN 0.389 nan 8.150 nan 0.000 0.448 428 D N -0.965 119.439 120.400 0.005 0.000 2.328 428 D HA 0.155 4.795 4.640 -0.000 0.000 0.221 428 D C 0.148 176.450 176.300 0.003 0.000 1.072 428 D CA -0.189 53.813 54.000 0.004 0.000 0.850 428 D CB -0.123 40.679 40.800 0.004 0.000 0.922 428 D HN 0.331 nan 8.370 nan 0.000 0.516 429 L N 1.898 123.124 121.223 0.004 0.000 2.455 429 L HA 0.120 4.460 4.340 -0.000 0.000 0.272 429 L C 0.147 177.018 176.870 0.002 0.000 1.174 429 L CA 0.438 55.280 54.840 0.003 0.000 0.869 429 L CB 0.159 42.220 42.059 0.003 0.000 1.130 429 L HN -0.215 nan 8.230 nan 0.000 0.474 430 R N 3.222 123.723 120.500 0.002 0.000 2.888 430 R HA 0.736 5.076 4.340 -0.000 0.000 0.264 430 R C -0.222 176.079 176.300 0.001 0.000 1.045 430 R CA -0.392 55.709 56.100 0.002 0.000 0.962 430 R CB 1.474 31.775 30.300 0.002 0.000 1.210 430 R HN 0.808 nan 8.270 nan 0.000 0.479 431 G N -0.402 108.398 108.800 0.001 0.000 3.107 431 G HA2 0.216 4.176 3.960 -0.000 0.000 0.232 431 G HA3 0.216 4.176 3.960 -0.000 0.000 0.232 431 G C 0.066 174.966 174.900 0.001 0.000 1.339 431 G CA -0.276 44.824 45.100 0.001 0.000 1.033 431 G HN 0.415 nan 8.290 nan 0.000 0.567 432 Q N -0.646 119.154 119.800 0.001 0.000 2.311 432 Q HA 0.089 4.429 4.340 -0.000 0.000 0.203 432 Q C 0.266 176.267 176.000 0.001 0.000 0.954 432 Q CA 1.095 56.899 55.803 0.001 0.000 0.885 432 Q CB 0.040 28.779 28.738 0.001 0.000 0.963 432 Q HN 0.623 nan 8.270 nan 0.000 0.471 433 N N -2.188 116.513 118.700 0.001 0.000 3.039 433 N HA 0.056 4.796 4.740 -0.000 0.000 0.257 433 N C -0.100 175.411 175.510 0.001 0.000 1.497 433 N CA -0.545 52.505 53.050 0.001 0.000 0.861 433 N CB 0.535 39.023 38.487 0.001 0.000 1.479 433 N HN -0.307 nan 8.380 nan 0.000 0.547 434 E N -0.281 119.920 120.200 0.001 0.000 2.110 434 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 434 E C 0.495 177.096 176.600 0.002 0.000 0.988 434 E CA 1.621 58.022 56.400 0.001 0.000 0.804 434 E CB -0.370 29.331 29.700 0.001 0.000 0.745 434 E HN 0.597 nan 8.360 nan 0.000 0.458 435 D N 0.172 120.573 120.400 0.002 0.000 2.123 435 D HA -0.173 4.467 4.640 -0.000 0.000 0.196 435 D C 1.926 178.227 176.300 0.003 0.000 0.992 435 D CA 1.104 55.106 54.000 0.003 0.000 0.833 435 D CB -0.203 40.598 40.800 0.003 0.000 0.954 435 D HN 0.410 nan 8.370 nan 0.000 0.455 436 Q N 0.243 120.044 119.800 0.002 0.000 2.124 436 Q HA -0.101 4.239 4.340 -0.000 0.000 0.202 436 Q C 1.870 177.871 176.000 0.002 0.000 0.977 436 Q CA 0.640 56.444 55.803 0.002 0.000 0.850 436 Q CB -0.074 28.665 28.738 0.002 0.000 0.901 436 Q HN 0.269 nan 8.270 nan 0.000 0.429 437 N N 0.307 119.008 118.700 0.002 0.000 2.120 437 N HA -0.119 4.621 4.740 -0.000 0.000 0.188 437 N C 1.911 177.423 175.510 0.003 0.000 1.024 437 N CA 1.009 54.060 53.050 0.002 0.000 0.852 437 N CB -0.235 38.254 38.487 0.002 0.000 1.003 437 N HN 0.057 nan 8.380 nan 0.000 0.424 438 V N 0.935 120.851 119.914 0.003 0.000 2.343 438 V HA -0.146 3.974 4.120 -0.000 0.000 0.247 438 V C 2.474 178.570 176.094 0.004 0.000 1.051 438 V CA 1.994 64.296 62.300 0.003 0.000 1.036 438 V CB -1.234 30.591 31.823 0.003 0.000 0.654 438 V HN 0.329 nan 8.190 nan 0.000 0.451 439 G N -0.013 108.789 108.800 0.004 0.000 2.440 439 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 439 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 439 G C 1.569 176.471 174.900 0.004 0.000 1.154 439 G CA 1.146 46.248 45.100 0.004 0.000 0.767 439 G HN 0.488 nan 8.290 nan 0.000 0.552 440 I N 0.275 120.847 120.570 0.003 0.000 2.226 440 I HA -0.149 4.021 4.170 -0.000 0.000 0.245 440 I C 2.698 178.817 176.117 0.004 0.000 1.100 440 I CA 1.047 62.349 61.300 0.003 0.000 1.374 440 I CB -0.144 37.857 38.000 0.003 0.000 1.057 440 I HN 0.036 nan 8.210 nan 0.000 0.413 441 K N 0.565 120.967 120.400 0.004 0.000 2.097 441 K HA -0.067 4.252 4.320 -0.000 0.000 0.205 441 K C 2.136 178.739 176.600 0.005 0.000 1.050 441 K CA 0.949 57.239 56.287 0.005 0.000 0.938 441 K CB -0.615 31.888 32.500 0.004 0.000 0.718 441 K HN 0.217 nan 8.250 nan 0.000 0.442 442 V N 1.677 121.594 119.914 0.005 0.000 2.295 442 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 442 V C 2.485 178.583 176.094 0.006 0.000 1.049 442 V CA 2.052 64.355 62.300 0.006 0.000 1.024 442 V CB -0.779 31.047 31.823 0.006 0.000 0.648 442 V HN 0.291 nan 8.190 nan 0.000 0.447 443 A N -0.236 122.587 122.820 0.006 0.000 1.873 443 A HA -0.122 4.198 4.320 -0.000 0.000 0.215 443 A C 2.191 179.779 177.584 0.007 0.000 1.186 443 A CA 1.688 53.729 52.037 0.006 0.000 0.616 443 A CB -0.556 18.446 19.000 0.004 0.000 0.823 443 A HN 0.490 nan 8.150 nan 0.000 0.442 444 L N -1.269 119.958 121.223 0.007 0.000 2.083 444 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 444 L C 2.831 179.707 176.870 0.009 0.000 1.083 444 L CA 1.569 56.414 54.840 0.008 0.000 0.752 444 L CB -0.511 41.553 42.059 0.008 0.000 0.899 444 L HN 0.401 nan 8.230 nan 0.000 0.433 445 R N 0.021 120.526 120.500 0.008 0.000 2.075 445 R HA -0.121 4.219 4.340 -0.000 0.000 0.232 445 R C 2.407 178.712 176.300 0.008 0.000 1.126 445 R CA 1.299 57.403 56.100 0.008 0.000 0.963 445 R CB -0.223 30.081 30.300 0.006 0.000 0.858 445 R HN 0.349 nan 8.270 nan 0.000 0.435 446 A N 0.542 123.367 122.820 0.008 0.000 1.972 446 A HA -0.152 4.167 4.320 -0.000 0.000 0.219 446 A C 2.019 179.609 177.584 0.010 0.000 1.169 446 A CA 1.222 53.265 52.037 0.009 0.000 0.635 446 A CB -0.367 18.639 19.000 0.010 0.000 0.810 446 A HN 0.282 nan 8.150 nan 0.000 0.446 447 M N -0.572 119.034 119.600 0.011 0.000 2.629 447 M HA -0.127 4.353 4.480 -0.000 0.000 0.257 447 M C 1.400 177.707 176.300 0.012 0.000 1.071 447 M CA 1.048 56.355 55.300 0.012 0.000 1.077 447 M CB -0.227 32.380 32.600 0.012 0.000 1.423 447 M HN 0.468 nan 8.290 nan 0.000 0.508 448 E N -0.063 120.144 120.200 0.011 0.000 2.400 448 E HA 0.050 4.400 4.350 -0.000 0.000 0.195 448 E C 2.072 178.677 176.600 0.007 0.000 1.012 448 E CA 0.364 56.769 56.400 0.010 0.000 0.875 448 E CB 0.123 29.828 29.700 0.008 0.000 0.859 448 E HN 0.487 nan 8.360 nan 0.000 0.498 449 A N 2.448 125.273 122.820 0.008 0.000 1.869 449 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 449 A C -0.366 177.223 177.584 0.007 0.000 1.203 449 A CA 1.558 53.599 52.037 0.007 0.000 0.638 449 A CB -1.589 17.416 19.000 0.008 0.000 0.831 449 A HN 0.124 nan 8.150 nan 0.000 0.450 450 P HA -0.201 nan 4.420 nan 0.000 0.213 450 P C 1.889 179.195 177.300 0.010 0.000 1.176 450 P CA 1.217 64.323 63.100 0.010 0.000 0.919 450 P CB -0.187 31.520 31.700 0.012 0.000 0.791 451 L N -0.902 120.327 121.223 0.010 0.000 1.990 451 L HA -0.274 4.066 4.340 -0.000 0.000 0.213 451 L C 2.524 179.396 176.870 0.004 0.000 1.072 451 L CA 1.903 56.751 54.840 0.012 0.000 0.755 451 L CB -0.364 41.701 42.059 0.010 0.000 0.889 451 L HN -0.142 nan 8.230 nan 0.000 0.432 452 R N -0.755 119.743 120.500 -0.003 0.000 2.096 452 R HA -0.272 4.068 4.340 -0.000 0.000 0.240 452 R C 2.300 178.597 176.300 -0.004 0.000 1.139 452 R CA 2.003 58.097 56.100 -0.010 0.000 0.952 452 R CB -0.395 29.900 30.300 -0.008 0.000 0.854 452 R HN 0.395 nan 8.270 nan 0.000 0.436 453 Q N 0.928 120.729 119.800 0.002 0.000 2.050 453 Q HA -0.116 4.223 4.340 -0.000 0.000 0.202 453 Q C 1.850 177.855 176.000 0.009 0.000 0.980 453 Q CA 1.671 57.476 55.803 0.004 0.000 0.840 453 Q CB -0.197 28.544 28.738 0.005 0.000 0.898 453 Q HN 0.368 nan 8.270 nan 0.000 0.424 454 I N -0.671 119.907 120.570 0.014 0.000 2.163 454 I HA -0.299 3.871 4.170 -0.000 0.000 0.243 454 I C 2.073 178.212 176.117 0.037 0.000 1.085 454 I CA 1.165 62.479 61.300 0.024 0.000 1.347 454 I CB -0.400 37.618 38.000 0.030 0.000 1.044 454 I HN 0.088 nan 8.210 nan 0.000 0.408 455 V N 0.592 120.526 119.914 0.033 0.000 2.407 455 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 455 V C 2.368 178.470 176.094 0.013 0.000 1.055 455 V CA 1.560 63.876 62.300 0.026 0.000 1.049 455 V CB -0.492 31.296 31.823 -0.058 0.000 0.662 455 V HN 0.349 nan 8.190 nan 0.000 0.455 456 L N 0.815 122.040 121.223 0.003 0.000 2.017 456 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 456 L C 2.195 179.070 176.870 0.009 0.000 1.073 456 L CA 1.963 56.805 54.840 0.002 0.000 0.745 456 L CB -0.859 41.200 42.059 0.000 0.000 0.894 456 L HN 0.311 nan 8.230 nan 0.000 0.432 457 N N -1.085 117.622 118.700 0.012 0.000 2.289 457 N HA -0.170 4.570 4.740 -0.000 0.000 0.184 457 N C 1.732 177.252 175.510 0.017 0.000 1.016 457 N CA 1.611 54.669 53.050 0.012 0.000 0.872 457 N CB -0.783 37.711 38.487 0.010 0.000 0.973 457 N HN 0.423 nan 8.380 nan 0.000 0.433 458 C N -0.478 118.838 119.300 0.028 0.000 2.522 458 C HA 0.245 4.705 4.460 -0.000 0.000 0.271 458 C C 1.581 176.591 174.990 0.033 0.000 1.425 458 C CA 0.335 59.376 59.018 0.037 0.000 1.751 458 C CB -1.262 26.522 27.740 0.073 0.000 1.775 458 C HN 0.629 nan 8.230 nan 0.000 0.557 459 G N 1.176 109.990 108.800 0.023 0.000 2.160 459 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.244 459 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.244 459 G C -0.292 174.619 174.900 0.019 0.000 1.022 459 G CA 0.146 45.257 45.100 0.018 0.000 0.741 459 G HN 0.512 nan 8.290 nan 0.000 0.508 460 E N -0.193 120.016 120.200 0.015 0.000 2.281 460 E HA 0.440 4.790 4.350 -0.000 0.000 0.257 460 E C 0.023 176.609 176.600 -0.023 0.000 0.971 460 E CA -0.860 55.540 56.400 -0.000 0.000 0.839 460 E CB 0.804 30.500 29.700 -0.006 0.000 1.238 460 E HN 0.441 nan 8.360 nan 0.000 0.412 461 E N 1.756 121.935 120.200 -0.036 0.000 2.052 461 E HA 0.116 4.466 4.350 -0.000 0.000 0.283 461 E C -1.722 174.842 176.600 -0.059 0.000 1.071 461 E CA -1.572 54.806 56.400 -0.036 0.000 0.851 461 E CB 0.815 30.501 29.700 -0.024 0.000 1.066 461 E HN 0.111 nan 8.360 nan 0.000 0.396 462 P HA -0.246 nan 4.420 nan 0.000 0.216 462 P C 1.031 178.302 177.300 -0.049 0.000 1.157 462 P CA 1.310 64.377 63.100 -0.054 0.000 0.880 462 P CB 0.296 31.978 31.700 -0.030 0.000 0.791 463 S N -0.804 114.877 115.700 -0.031 0.000 2.370 463 S HA -0.128 4.342 4.470 -0.000 0.000 0.226 463 S C 2.016 176.603 174.600 -0.022 0.000 1.033 463 S CA 1.474 59.662 58.200 -0.021 0.000 1.011 463 S CB -1.348 61.844 63.200 -0.014 0.000 0.852 463 S HN -0.030 nan 8.310 nan 0.000 0.457 464 V N 1.534 121.431 119.914 -0.029 0.000 2.270 464 V HA -0.131 3.989 4.120 -0.000 0.000 0.245 464 V C 2.376 178.458 176.094 -0.021 0.000 1.043 464 V CA 1.449 63.736 62.300 -0.023 0.000 1.014 464 V CB -0.854 30.957 31.823 -0.021 0.000 0.645 464 V HN 0.344 nan 8.190 nan 0.000 0.447 465 V N 0.466 120.334 119.914 -0.077 0.000 2.295 465 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 465 V C 2.763 178.840 176.094 -0.028 0.000 1.049 465 V CA 2.053 64.280 62.300 -0.121 0.000 1.024 465 V CB -1.275 30.258 31.823 -0.482 0.000 0.648 465 V HN 0.551 nan 8.190 nan 0.000 0.447 466 A N 0.314 123.109 122.820 -0.042 0.000 1.908 466 A HA -0.325 3.995 4.320 -0.000 0.000 0.218 466 A C 2.075 179.676 177.584 0.029 0.000 1.181 466 A CA 2.558 54.593 52.037 -0.004 0.000 0.627 466 A CB -0.891 18.104 19.000 -0.010 0.000 0.818 466 A HN 0.607 nan 8.150 nan 0.000 0.445 467 N N -0.716 117.996 118.700 0.021 0.000 2.058 467 N HA -0.118 4.622 4.740 -0.000 0.000 0.191 467 N C 1.763 177.303 175.510 0.050 0.000 1.037 467 N CA 2.309 55.374 53.050 0.026 0.000 0.848 467 N CB -0.494 37.999 38.487 0.009 0.000 1.021 467 N HN 0.410 nan 8.380 nan 0.000 0.422 468 T N -0.249 114.340 114.554 0.057 0.000 2.720 468 T HA -0.103 4.247 4.350 -0.000 0.000 0.268 468 T C 1.967 176.787 174.700 0.199 0.000 1.037 468 T CA 1.315 63.455 62.100 0.066 0.000 1.144 468 T CB -0.469 68.367 68.868 -0.054 0.000 0.864 468 T HN 0.013 nan 8.240 nan 0.000 0.444 469 V N 1.441 121.490 119.914 0.226 0.000 2.343 469 V HA -0.178 3.942 4.120 -0.000 0.000 0.247 469 V C 2.470 178.684 176.094 0.201 0.000 1.051 469 V CA 1.557 63.987 62.300 0.216 0.000 1.036 469 V CB -0.483 31.407 31.823 0.111 0.000 0.654 469 V HN 0.471 nan 8.190 nan 0.000 0.451 470 K N 0.147 120.623 120.400 0.127 0.000 2.152 470 K HA -0.130 4.189 4.320 -0.000 0.000 0.206 470 K C 2.189 178.849 176.600 0.100 0.000 1.048 470 K CA 1.360 57.705 56.287 0.096 0.000 0.933 470 K CB -0.553 31.982 32.500 0.059 0.000 0.721 470 K HN 0.585 nan 8.250 nan 0.000 0.447 471 G N 1.100 109.964 108.800 0.107 0.000 2.422 471 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.218 471 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.218 471 G C 0.853 175.791 174.900 0.063 0.000 1.140 471 G CA 0.724 45.865 45.100 0.068 0.000 0.775 471 G HN 0.384 nan 8.290 nan 0.000 0.545 472 G N -0.786 108.115 108.800 0.169 0.000 2.516 472 G HA2 0.459 4.419 3.960 -0.000 0.000 0.276 472 G HA3 0.459 4.419 3.960 -0.000 0.000 0.276 472 G C -0.726 174.242 174.900 0.114 0.000 1.390 472 G CA -0.296 44.851 45.100 0.079 0.000 1.050 472 G HN 0.198 nan 8.290 nan 0.000 0.519 473 D N -2.143 118.317 120.400 0.101 0.000 2.592 473 D HA 0.498 5.138 4.640 -0.000 0.000 0.263 473 D C 0.880 177.257 176.300 0.128 0.000 1.132 473 D CA 0.554 54.608 54.000 0.090 0.000 0.996 473 D CB 1.619 42.435 40.800 0.026 0.000 1.442 473 D HN 0.834 nan 8.370 nan 0.000 0.486 474 G N 1.080 109.933 108.800 0.088 0.000 2.627 474 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.312 474 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.312 474 G C 0.298 175.261 174.900 0.105 0.000 1.299 474 G CA 0.575 45.725 45.100 0.083 0.000 0.989 474 G HN 0.582 nan 8.290 nan 0.000 0.547 475 N N 0.113 118.874 118.700 0.102 0.000 2.389 475 N HA 0.329 5.069 4.740 -0.000 0.000 0.237 475 N C -0.075 175.511 175.510 0.126 0.000 1.148 475 N CA 0.041 53.145 53.050 0.090 0.000 0.854 475 N CB 0.131 38.653 38.487 0.058 0.000 1.115 475 N HN 0.536 nan 8.380 nan 0.000 0.492 476 Y N 0.630 120.961 120.300 0.052 0.000 2.359 476 Y HA 0.535 5.085 4.550 -0.000 0.000 0.334 476 Y C 0.675 176.636 175.900 0.103 0.000 1.058 476 Y CA -0.283 57.862 58.100 0.076 0.000 1.244 476 Y CB 0.134 38.641 38.460 0.077 0.000 1.187 476 Y HN 0.052 nan 8.280 nan 0.000 0.510 477 G N 4.127 112.634 108.800 -0.488 0.000 2.815 477 G HA2 0.247 4.207 3.960 -0.000 0.000 0.305 477 G HA3 0.247 4.207 3.960 -0.000 0.000 0.305 477 G C -2.390 172.284 174.900 -0.377 0.000 1.277 477 G CA -0.900 43.971 45.100 -0.382 0.000 0.795 477 G HN 0.557 nan 8.290 nan 0.000 0.528 478 Y N 1.523 121.572 120.300 -0.418 0.000 2.328 478 Y HA 0.555 5.105 4.550 -0.000 0.000 0.337 478 Y C -0.121 175.558 175.900 -0.367 0.000 0.966 478 Y CA -1.405 56.330 58.100 -0.609 0.000 1.136 478 Y CB 1.492 39.547 38.460 -0.676 0.000 1.170 478 Y HN 0.397 nan 8.280 nan 0.000 0.470 479 N N 5.114 123.343 118.700 -0.784 0.000 2.448 479 N HA 0.120 4.860 4.740 -0.000 0.000 0.250 479 N C 0.693 175.659 175.510 -0.906 0.000 1.136 479 N CA 0.682 53.374 53.050 -0.596 0.000 0.953 479 N CB 1.072 39.324 38.487 -0.391 0.000 1.251 479 N HN 0.936 nan 8.380 nan 0.000 0.502 480 A N 3.801 126.225 122.820 -0.660 0.000 1.978 480 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 480 A C 2.091 179.505 177.584 -0.284 0.000 1.170 480 A CA 1.856 53.635 52.037 -0.431 0.000 0.636 480 A CB -0.547 18.419 19.000 -0.056 0.000 0.810 480 A HN 0.697 nan 8.150 nan 0.000 0.448 481 A N -0.778 121.898 122.820 -0.239 0.000 1.930 481 A HA -0.022 4.298 4.320 -0.000 0.000 0.217 481 A C 2.223 179.715 177.584 -0.153 0.000 1.175 481 A CA 2.292 54.239 52.037 -0.152 0.000 0.627 481 A CB -0.734 18.195 19.000 -0.119 0.000 0.815 481 A HN 0.880 nan 8.150 nan 0.000 0.443 482 T N -4.363 110.059 114.554 -0.220 0.000 3.040 482 T HA 0.280 4.630 4.350 -0.000 0.000 0.266 482 T C 0.209 174.798 174.700 -0.185 0.000 1.005 482 T CA 0.668 62.669 62.100 -0.164 0.000 0.906 482 T CB -0.212 68.576 68.868 -0.134 0.000 1.082 482 T HN 0.554 nan 8.240 nan 0.000 0.531 483 E N 0.887 120.878 120.200 -0.347 0.000 2.791 483 E HA -0.139 4.211 4.350 -0.000 0.000 0.271 483 E C -0.878 175.618 176.600 -0.173 0.000 1.044 483 E CA 0.596 56.830 56.400 -0.276 0.000 0.814 483 E CB -1.148 28.572 29.700 0.033 0.000 1.400 483 E HN 0.606 nan 8.360 nan 0.000 0.423 484 E N 0.118 120.134 120.200 -0.306 0.000 2.183 484 E HA 0.356 4.706 4.350 -0.000 0.000 0.271 484 E C -0.474 176.042 176.600 -0.141 0.000 0.919 484 E CA -0.561 55.787 56.400 -0.085 0.000 0.781 484 E CB 0.808 30.477 29.700 -0.053 0.000 1.140 484 E HN 0.060 nan 8.360 nan 0.000 0.402 485 Y N 0.373 120.693 120.300 0.033 0.000 2.335 485 Y HA 0.609 5.158 4.550 -0.000 0.000 0.323 485 Y C 1.191 177.119 175.900 0.047 0.000 1.224 485 Y CA 0.295 58.392 58.100 -0.005 0.000 1.241 485 Y CB 1.843 40.364 38.460 0.101 0.000 1.235 485 Y HN 0.665 nan 8.280 nan 0.000 0.492 486 G N 1.027 109.896 108.800 0.115 0.000 2.336 486 G HA2 -0.019 3.940 3.960 -0.000 0.000 0.286 486 G HA3 -0.019 3.940 3.960 -0.000 0.000 0.286 486 G C -1.761 173.236 174.900 0.162 0.000 1.269 486 G CA -1.203 44.036 45.100 0.232 0.000 0.873 486 G HN 0.521 nan 8.290 nan 0.000 0.494 487 N N 1.139 119.930 118.700 0.152 0.000 2.420 487 N HA 0.098 4.838 4.740 -0.000 0.000 0.262 487 N C 1.729 177.259 175.510 0.033 0.000 1.144 487 N CA -0.470 52.646 53.050 0.109 0.000 0.952 487 N CB 0.778 39.322 38.487 0.095 0.000 1.081 487 N HN 0.367 nan 8.380 nan 0.000 0.480 488 M N 3.619 123.222 119.600 0.005 0.000 2.082 488 M HA -0.193 4.287 4.480 -0.000 0.000 0.258 488 M C 1.716 178.008 176.300 -0.012 0.000 1.069 488 M CA 1.230 56.515 55.300 -0.026 0.000 1.102 488 M CB -0.678 31.904 32.600 -0.031 0.000 1.336 488 M HN 0.561 nan 8.290 nan 0.000 0.404 489 I N 0.447 121.021 120.570 0.007 0.000 2.179 489 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 489 I C 1.940 178.060 176.117 0.005 0.000 1.088 489 I CA 1.494 62.798 61.300 0.007 0.000 1.357 489 I CB -1.678 36.331 38.000 0.015 0.000 1.051 489 I HN 0.242 nan 8.210 nan 0.000 0.409 490 D N 0.799 121.207 120.400 0.013 0.000 2.149 490 D HA -0.165 4.474 4.640 -0.000 0.000 0.198 490 D C 2.152 178.453 176.300 0.000 0.000 0.990 490 D CA 1.209 55.216 54.000 0.011 0.000 0.839 490 D CB -0.221 40.593 40.800 0.023 0.000 0.948 490 D HN 0.347 nan 8.370 nan 0.000 0.460 491 M N -0.442 119.153 119.600 -0.009 0.000 2.682 491 M HA 0.122 4.602 4.480 -0.000 0.000 0.235 491 M C 0.976 177.257 176.300 -0.030 0.000 1.114 491 M CA 0.482 55.767 55.300 -0.025 0.000 1.053 491 M CB 0.230 32.802 32.600 -0.047 0.000 1.599 491 M HN 0.053 nan 8.290 nan 0.000 0.520 492 G N 2.094 110.882 108.800 -0.020 0.000 2.198 492 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.260 492 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.260 492 G C -0.035 174.849 174.900 -0.026 0.000 1.025 492 G CA -0.097 44.991 45.100 -0.020 0.000 0.769 492 G HN 0.558 nan 8.290 nan 0.000 0.507 493 I N 0.745 121.296 120.570 -0.033 0.000 2.460 493 I HA 0.499 4.669 4.170 -0.000 0.000 0.277 493 I C 0.268 176.370 176.117 -0.026 0.000 1.057 493 I CA -0.891 60.386 61.300 -0.038 0.000 1.179 493 I CB 0.463 38.425 38.000 -0.063 0.000 1.329 493 I HN 0.221 nan 8.210 nan 0.000 0.478 494 L N 2.835 124.049 121.223 -0.015 0.000 2.322 494 L HA 0.829 5.169 4.340 -0.000 0.000 0.252 494 L C -1.110 175.760 176.870 -0.001 0.000 1.055 494 L CA -0.681 54.155 54.840 -0.006 0.000 0.849 494 L CB 1.430 43.488 42.059 -0.001 0.000 1.446 494 L HN 0.025 nan 8.230 nan 0.000 0.416 495 D N -0.833 119.570 120.400 0.005 0.000 2.857 495 D HA 0.424 5.064 4.640 -0.000 0.000 0.227 495 D C -2.831 173.477 176.300 0.013 0.000 1.192 495 D CA -1.087 52.919 54.000 0.009 0.000 0.857 495 D CB 2.752 43.558 40.800 0.010 0.000 1.645 495 D HN 0.358 nan 8.370 nan 0.000 0.482 496 P HA 0.071 nan 4.420 nan 0.000 0.267 496 P C 0.881 178.192 177.300 0.018 0.000 1.209 496 P CA 0.127 63.238 63.100 0.019 0.000 0.763 496 P CB 0.611 32.326 31.700 0.025 0.000 0.816 497 T N 2.635 117.198 114.554 0.016 0.000 2.760 497 T HA -0.240 4.110 4.350 -0.000 0.000 0.269 497 T C 1.603 176.312 174.700 0.015 0.000 1.047 497 T CA 1.400 63.509 62.100 0.014 0.000 1.139 497 T CB -0.275 68.601 68.868 0.012 0.000 0.855 497 T HN 0.499 nan 8.240 nan 0.000 0.471 498 K N 0.880 121.291 120.400 0.018 0.000 2.097 498 K HA -0.095 4.225 4.320 -0.000 0.000 0.206 498 K C 2.440 179.058 176.600 0.029 0.000 1.049 498 K CA 1.417 57.716 56.287 0.021 0.000 0.933 498 K CB -0.244 32.271 32.500 0.024 0.000 0.717 498 K HN 0.386 nan 8.250 nan 0.000 0.442 499 V N -0.983 118.949 119.914 0.030 0.000 2.379 499 V HA -0.151 3.969 4.120 -0.000 0.000 0.245 499 V C 1.826 177.942 176.094 0.037 0.000 1.044 499 V CA 2.183 64.505 62.300 0.037 0.000 1.036 499 V CB -0.851 30.990 31.823 0.030 0.000 0.664 499 V HN 0.234 nan 8.190 nan 0.000 0.453 500 T N 0.548 115.118 114.554 0.027 0.000 2.708 500 T HA -0.173 4.177 4.350 -0.000 0.000 0.266 500 T C 1.990 176.702 174.700 0.020 0.000 1.037 500 T CA 2.232 64.345 62.100 0.023 0.000 1.146 500 T CB -0.414 68.464 68.868 0.017 0.000 0.865 500 T HN 0.617 nan 8.240 nan 0.000 0.435 501 R N 0.897 121.404 120.500 0.012 0.000 2.083 501 R HA -0.120 4.220 4.340 -0.000 0.000 0.237 501 R C 2.569 178.862 176.300 -0.012 0.000 1.137 501 R CA 1.915 58.012 56.100 -0.005 0.000 0.951 501 R CB -0.418 29.875 30.300 -0.011 0.000 0.851 501 R HN 0.249 nan 8.270 nan 0.000 0.434 502 S N 0.533 116.244 115.700 0.018 0.000 2.348 502 S HA -0.158 4.312 4.470 -0.000 0.000 0.221 502 S C 2.060 176.746 174.600 0.142 0.000 1.033 502 S CA 1.242 59.479 58.200 0.062 0.000 1.010 502 S CB -0.407 62.893 63.200 0.166 0.000 0.891 502 S HN 0.596 nan 8.310 nan 0.000 0.442 503 A N 1.406 124.300 122.820 0.123 0.000 1.892 503 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 503 A C 2.167 179.804 177.584 0.089 0.000 1.188 503 A CA 1.758 53.865 52.037 0.117 0.000 0.631 503 A CB -0.840 18.199 19.000 0.066 0.000 0.822 503 A HN 0.413 nan 8.150 nan 0.000 0.447 504 L N -0.232 121.016 121.223 0.042 0.000 2.005 504 L HA -0.197 4.143 4.340 -0.000 0.000 0.207 504 L C 2.572 179.442 176.870 -0.001 0.000 1.072 504 L CA 2.461 57.313 54.840 0.019 0.000 0.744 504 L CB -0.851 41.211 42.059 0.004 0.000 0.895 504 L HN 0.529 nan 8.230 nan 0.000 0.433 505 Q N -1.688 118.079 119.800 -0.056 0.000 2.096 505 Q HA -0.251 4.089 4.340 -0.000 0.000 0.204 505 Q C 2.193 178.112 176.000 -0.134 0.000 0.982 505 Q CA 2.122 57.844 55.803 -0.135 0.000 0.850 505 Q CB -0.412 28.176 28.738 -0.250 0.000 0.901 505 Q HN 0.513 nan 8.270 nan 0.000 0.422 506 Y N 0.308 120.606 120.300 -0.003 0.000 2.200 506 Y HA -0.176 4.374 4.550 0.000 0.000 0.290 506 Y C 2.409 178.307 175.900 -0.003 0.000 1.137 506 Y CA 0.922 59.020 58.100 -0.004 0.000 1.163 506 Y CB -0.701 37.755 38.460 -0.007 0.000 0.988 506 Y HN 0.135 nan 8.280 nan 0.000 0.518 507 A N 0.057 122.967 122.820 0.150 0.000 1.858 507 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 507 A C 2.477 180.095 177.584 0.057 0.000 1.190 507 A CA 2.065 54.154 52.037 0.086 0.000 0.617 507 A CB -1.372 17.664 19.000 0.060 0.000 0.827 507 A HN 0.382 nan 8.150 nan 0.000 0.443 508 A N -0.759 122.083 122.820 0.035 0.000 2.024 508 A HA -0.125 4.195 4.320 -0.000 0.000 0.220 508 A C 2.439 180.035 177.584 0.020 0.000 1.164 508 A CA 2.296 54.343 52.037 0.017 0.000 0.643 508 A CB -0.874 18.125 19.000 -0.000 0.000 0.806 508 A HN 0.624 nan 8.150 nan 0.000 0.451 509 S N -0.944 114.774 115.700 0.030 0.000 2.338 509 S HA -0.131 4.339 4.470 -0.000 0.000 0.218 509 S C 1.979 176.607 174.600 0.047 0.000 1.032 509 S CA 1.690 59.912 58.200 0.036 0.000 0.999 509 S CB -0.613 62.625 63.200 0.063 0.000 0.905 509 S HN 0.587 nan 8.310 nan 0.000 0.439 510 V N 1.823 121.776 119.914 0.064 0.000 2.427 510 V HA 0.031 4.150 4.120 -0.000 0.000 0.248 510 V C 2.601 178.716 176.094 0.034 0.000 1.051 510 V CA 1.989 64.318 62.300 0.049 0.000 1.048 510 V CB -1.069 30.784 31.823 0.049 0.000 0.666 510 V HN 0.599 nan 8.190 nan 0.000 0.456 511 A N 0.089 122.928 122.820 0.032 0.000 1.902 511 A HA -0.034 4.286 4.320 -0.000 0.000 0.217 511 A C 2.362 179.958 177.584 0.020 0.000 1.181 511 A CA 1.851 53.903 52.037 0.024 0.000 0.623 511 A CB -1.382 17.631 19.000 0.022 0.000 0.818 511 A HN 0.653 nan 8.150 nan 0.000 0.443 512 G N -0.277 108.534 108.800 0.019 0.000 2.422 512 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.218 512 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.218 512 G C 1.545 176.455 174.900 0.017 0.000 1.146 512 G CA 0.985 46.094 45.100 0.015 0.000 0.769 512 G HN 0.429 nan 8.290 nan 0.000 0.547 513 L N -0.304 120.932 121.223 0.020 0.000 2.056 513 L HA -0.025 4.315 4.340 -0.000 0.000 0.207 513 L C 3.108 179.990 176.870 0.020 0.000 1.078 513 L CA 0.984 55.836 54.840 0.020 0.000 0.749 513 L CB -0.324 41.749 42.059 0.023 0.000 0.901 513 L HN 0.246 nan 8.230 nan 0.000 0.433 514 M N -0.567 119.045 119.600 0.020 0.000 2.132 514 M HA -0.201 4.279 4.480 -0.000 0.000 0.263 514 M C 2.297 178.607 176.300 0.018 0.000 1.065 514 M CA 1.774 57.086 55.300 0.020 0.000 1.122 514 M CB -0.327 32.285 32.600 0.020 0.000 1.365 514 M HN 0.182 nan 8.290 nan 0.000 0.411 515 I N 0.149 120.729 120.570 0.016 0.000 2.423 515 I HA -0.226 3.944 4.170 -0.000 0.000 0.254 515 I C 1.660 177.786 176.117 0.016 0.000 1.151 515 I CA 1.428 62.737 61.300 0.015 0.000 1.421 515 I CB -0.534 37.474 38.000 0.013 0.000 1.079 515 I HN 0.401 nan 8.210 nan 0.000 0.431 516 T N -3.151 111.413 114.554 0.017 0.000 3.251 516 T HA 0.175 4.525 4.350 -0.000 0.000 0.259 516 T C 0.418 175.131 174.700 0.022 0.000 0.998 516 T CA -0.322 61.789 62.100 0.018 0.000 0.905 516 T CB -0.342 68.536 68.868 0.017 0.000 1.067 516 T HN -0.072 nan 8.240 nan 0.000 0.569 517 T N 1.988 116.555 114.554 0.022 0.000 2.795 517 T HA 0.368 4.718 4.350 -0.000 0.000 0.282 517 T C 0.494 175.211 174.700 0.029 0.000 0.980 517 T CA -0.572 61.542 62.100 0.024 0.000 1.012 517 T CB 1.740 70.620 68.868 0.020 0.000 0.936 517 T HN 0.087 nan 8.240 nan 0.000 0.457 518 E N 0.560 120.784 120.200 0.040 0.000 2.465 518 E HA 0.185 4.535 4.350 -0.000 0.000 0.209 518 E C 0.044 176.687 176.600 0.071 0.000 0.951 518 E CA 0.121 56.563 56.400 0.070 0.000 0.997 518 E CB 0.771 30.530 29.700 0.098 0.000 1.025 518 E HN 0.556 nan 8.360 nan 0.000 0.500 519 C N 0.511 119.810 119.300 -0.002 0.000 2.888 519 C HA 0.693 5.153 4.460 -0.000 0.000 0.308 519 C C -1.354 173.567 174.990 -0.115 0.000 1.213 519 C CA -0.579 58.347 59.018 -0.153 0.000 1.461 519 C CB 0.613 28.255 27.740 -0.163 0.000 1.934 519 C HN 0.130 nan 8.230 nan 0.000 0.474 520 M N 4.840 124.355 119.600 -0.142 0.000 2.327 520 M HA 0.548 5.028 4.480 -0.000 0.000 0.298 520 M C -1.218 175.135 176.300 0.087 0.000 1.065 520 M CA -0.535 54.793 55.300 0.046 0.000 0.916 520 M CB 2.116 34.865 32.600 0.248 0.000 1.630 520 M HN 0.364 nan 8.290 nan 0.000 0.442 521 V N 1.515 121.446 119.914 0.028 0.000 2.444 521 V HA 0.739 4.859 4.120 -0.000 0.000 0.294 521 V C -0.259 175.782 176.094 -0.089 0.000 1.022 521 V CA -0.377 61.918 62.300 -0.009 0.000 0.850 521 V CB 1.860 33.663 31.823 -0.033 0.000 0.992 521 V HN 0.953 nan 8.190 nan 0.000 0.426 522 T N 2.372 116.825 114.554 -0.168 0.000 2.812 522 T HA 0.457 4.807 4.350 -0.000 0.000 0.294 522 T C -1.053 173.534 174.700 -0.189 0.000 1.159 522 T CA -0.514 61.422 62.100 -0.273 0.000 1.008 522 T CB 1.919 70.430 68.868 -0.595 0.000 1.289 522 T HN 0.676 nan 8.240 nan 0.000 0.514 523 D N 0.955 121.254 120.400 -0.167 0.000 2.344 523 D HA 0.417 5.057 4.640 -0.000 0.000 0.244 523 D C -0.388 175.855 176.300 -0.095 0.000 1.134 523 D CA -0.250 53.689 54.000 -0.103 0.000 0.930 523 D CB 0.421 41.172 40.800 -0.082 0.000 1.175 523 D HN 0.165 nan 8.370 nan 0.000 0.437 524 L N 2.973 124.168 121.223 -0.047 0.000 2.367 524 L HA 0.259 4.599 4.340 -0.000 0.000 0.275 524 L C -1.439 175.415 176.870 -0.027 0.000 1.129 524 L CA -1.246 53.581 54.840 -0.022 0.000 0.839 524 L CB -0.299 41.759 42.059 -0.003 0.000 1.133 524 L HN 0.414 nan 8.230 nan 0.000 0.453 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.089 63.100 -0.018 0.000 0.800 525 P CB 0.000 31.700 31.700 -0.000 0.000 0.726