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 1sx3_1_I DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND AGVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTVAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.581 177.584 -0.005 0.000 1.274 2 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 2 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 3 A N 1.092 123.912 122.820 0.000 0.000 2.507 3 A HA 0.524 4.844 4.320 -0.000 0.000 0.235 3 A C 0.169 177.756 177.584 0.004 0.000 1.070 3 A CA 0.466 52.507 52.037 0.007 0.000 0.768 3 A CB -0.020 18.987 19.000 0.012 0.000 1.011 3 A HN 0.630 nan 8.150 nan 0.000 0.502 4 K N 0.928 121.337 120.400 0.014 0.000 2.267 4 K HA 0.424 4.744 4.320 -0.000 0.000 0.246 4 K C -1.265 175.364 176.600 0.049 0.000 0.954 4 K CA -0.700 55.595 56.287 0.013 0.000 0.824 4 K CB 1.818 34.325 32.500 0.011 0.000 1.167 4 K HN 0.752 nan 8.250 nan 0.000 0.431 5 D N 0.972 121.415 120.400 0.072 0.000 2.168 5 D HA 0.390 5.030 4.640 -0.000 0.000 0.246 5 D C -1.226 175.243 176.300 0.283 0.000 1.050 5 D CA -0.568 53.548 54.000 0.193 0.000 0.857 5 D CB 1.335 42.297 40.800 0.270 0.000 1.169 5 D HN 0.046 nan 8.370 nan 0.000 0.453 6 V N 4.318 124.356 119.914 0.207 0.000 2.483 6 V HA 0.424 4.543 4.120 -0.000 0.000 0.297 6 V C 0.049 176.104 176.094 -0.064 0.000 1.027 6 V CA -0.781 61.557 62.300 0.063 0.000 0.855 6 V CB 1.793 33.616 31.823 -0.001 0.000 0.995 6 V HN 0.421 nan 8.190 nan 0.000 0.424 7 K N 3.544 123.797 120.400 -0.244 0.000 2.328 7 K HA 0.805 5.125 4.320 -0.000 0.000 0.246 7 K C -1.648 174.704 176.600 -0.413 0.000 0.955 7 K CA -0.598 55.492 56.287 -0.330 0.000 0.817 7 K CB 2.635 34.736 32.500 -0.664 0.000 1.208 7 K HN 0.462 nan 8.250 nan 0.000 0.432 8 F N -0.462 119.435 119.950 -0.089 0.000 2.599 8 F HA 0.399 4.925 4.527 -0.000 0.000 0.311 8 F C 1.013 176.781 175.800 -0.052 0.000 1.076 8 F CA -0.029 57.944 58.000 -0.045 0.000 0.937 8 F CB 1.966 40.949 39.000 -0.029 0.000 1.282 8 F HN 0.816 nan 8.300 nan 0.000 0.460 9 G N 1.995 110.895 108.800 0.166 0.000 2.634 9 G HA2 -0.394 3.565 3.960 -0.000 0.000 0.309 9 G HA3 -0.394 3.565 3.960 -0.000 0.000 0.309 9 G C 1.086 176.007 174.900 0.036 0.000 1.265 9 G CA 0.727 45.880 45.100 0.088 0.000 0.998 9 G HN 0.704 nan 8.290 nan 0.000 0.551 10 N N 0.713 119.426 118.700 0.022 0.000 2.120 10 N HA -0.123 4.617 4.740 -0.000 0.000 0.188 10 N C 1.802 177.300 175.510 -0.020 0.000 1.024 10 N CA 1.872 54.923 53.050 0.001 0.000 0.852 10 N CB -0.326 38.161 38.487 -0.000 0.000 1.003 10 N HN 0.530 nan 8.380 nan 0.000 0.424 11 D N 0.820 121.202 120.400 -0.030 0.000 2.116 11 D HA -0.130 4.510 4.640 -0.000 0.000 0.193 11 D C 1.837 178.058 176.300 -0.132 0.000 0.998 11 D CA 1.265 55.216 54.000 -0.082 0.000 0.836 11 D CB -0.433 40.309 40.800 -0.097 0.000 0.951 11 D HN 0.287 nan 8.370 nan 0.000 0.449 12 A N 0.649 123.391 122.820 -0.130 0.000 1.877 12 A HA -0.024 4.296 4.320 -0.000 0.000 0.216 12 A C 2.426 179.981 177.584 -0.048 0.000 1.186 12 A CA 2.224 54.180 52.037 -0.135 0.000 0.620 12 A CB -1.217 17.725 19.000 -0.098 0.000 0.822 12 A HN 0.306 nan 8.150 nan 0.000 0.443 13 G N -0.181 108.606 108.800 -0.023 0.000 2.469 13 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.220 13 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.220 13 G C 1.655 176.551 174.900 -0.006 0.000 1.136 13 G CA 2.114 47.211 45.100 -0.005 0.000 0.759 13 G HN 1.145 nan 8.290 nan 0.000 0.562 14 V N -1.116 118.787 119.914 -0.018 0.000 2.548 14 V HA 0.022 4.141 4.120 -0.000 0.000 0.249 14 V C 2.469 178.561 176.094 -0.004 0.000 1.055 14 V CA 2.078 64.371 62.300 -0.012 0.000 1.065 14 V CB -0.317 31.497 31.823 -0.016 0.000 0.681 14 V HN 0.105 nan 8.190 nan 0.000 0.462 15 K N 0.213 120.607 120.400 -0.011 0.000 2.025 15 K HA 0.013 4.333 4.320 -0.000 0.000 0.207 15 K C 2.231 178.863 176.600 0.052 0.000 1.049 15 K CA 2.116 58.420 56.287 0.029 0.000 0.933 15 K CB -0.647 31.882 32.500 0.049 0.000 0.714 15 K HN 0.523 nan 8.250 nan 0.000 0.438 16 M N 0.417 120.045 119.600 0.046 0.000 2.080 16 M HA -0.189 4.290 4.480 -0.000 0.000 0.260 16 M C 2.230 178.548 176.300 0.031 0.000 1.068 16 M CA 1.230 56.557 55.300 0.046 0.000 1.109 16 M CB -0.372 32.251 32.600 0.038 0.000 1.342 16 M HN 0.027 nan 8.290 nan 0.000 0.405 17 L N 0.451 121.687 121.223 0.022 0.000 2.042 17 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 17 L C 2.466 179.347 176.870 0.017 0.000 1.076 17 L CA 1.895 56.745 54.840 0.017 0.000 0.749 17 L CB -0.623 41.443 42.059 0.011 0.000 0.893 17 L HN 0.154 nan 8.230 nan 0.000 0.432 18 R N -0.091 120.421 120.500 0.019 0.000 2.096 18 R HA -0.041 4.299 4.340 -0.000 0.000 0.235 18 R C 2.139 178.451 176.300 0.021 0.000 1.127 18 R CA 1.754 57.865 56.100 0.019 0.000 0.968 18 R CB -1.348 28.964 30.300 0.020 0.000 0.861 18 R HN 0.429 nan 8.270 nan 0.000 0.440 19 G N -0.026 108.790 108.800 0.028 0.000 2.394 19 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.215 19 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.215 19 G C 1.478 176.389 174.900 0.017 0.000 1.165 19 G CA 0.810 45.924 45.100 0.024 0.000 0.784 19 G HN 0.333 nan 8.290 nan 0.000 0.535 20 V N 0.951 120.875 119.914 0.018 0.000 2.392 20 V HA -0.200 3.920 4.120 -0.000 0.000 0.249 20 V C 2.245 178.346 176.094 0.011 0.000 1.059 20 V CA 2.604 64.913 62.300 0.014 0.000 1.051 20 V CB -0.550 31.282 31.823 0.016 0.000 0.658 20 V HN 0.251 nan 8.190 nan 0.000 0.455 21 N N 0.548 119.255 118.700 0.012 0.000 2.142 21 N HA -0.090 4.649 4.740 -0.000 0.000 0.186 21 N C 1.818 177.333 175.510 0.007 0.000 1.023 21 N CA 1.839 54.895 53.050 0.009 0.000 0.852 21 N CB -0.581 37.911 38.487 0.009 0.000 0.998 21 N HN 0.516 nan 8.380 nan 0.000 0.424 22 V N 1.578 121.497 119.914 0.008 0.000 2.295 22 V HA -0.181 3.939 4.120 -0.000 0.000 0.246 22 V C 2.409 178.504 176.094 0.003 0.000 1.049 22 V CA 1.122 63.425 62.300 0.005 0.000 1.024 22 V CB -0.580 31.247 31.823 0.005 0.000 0.648 22 V HN 0.206 nan 8.190 nan 0.000 0.447 23 L N 0.763 121.988 121.223 0.003 0.000 2.017 23 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 23 L C 2.363 179.233 176.870 0.001 0.000 1.073 23 L CA 2.469 57.309 54.840 0.001 0.000 0.745 23 L CB -0.709 41.350 42.059 0.001 0.000 0.894 23 L HN 0.195 nan 8.230 nan 0.000 0.432 24 A N -0.947 121.876 122.820 0.004 0.000 1.930 24 A HA -0.129 4.190 4.320 -0.000 0.000 0.215 24 A C 1.922 179.508 177.584 0.004 0.000 1.176 24 A CA 1.389 53.429 52.037 0.005 0.000 0.632 24 A CB -0.737 18.268 19.000 0.008 0.000 0.819 24 A HN 0.524 nan 8.150 nan 0.000 0.445 25 D N 0.507 120.909 120.400 0.003 0.000 2.182 25 D HA -0.073 4.567 4.640 -0.000 0.000 0.201 25 D C 2.109 178.410 176.300 0.001 0.000 0.986 25 D CA 1.483 55.484 54.000 0.002 0.000 0.847 25 D CB -0.342 40.459 40.800 0.003 0.000 0.942 25 D HN 0.437 nan 8.370 nan 0.000 0.467 26 A N 0.340 123.160 122.820 -0.000 0.000 1.897 26 A HA -0.076 4.244 4.320 -0.000 0.000 0.215 26 A C 2.476 180.058 177.584 -0.003 0.000 1.181 26 A CA 0.903 52.939 52.037 -0.002 0.000 0.620 26 A CB -0.529 18.469 19.000 -0.004 0.000 0.821 26 A HN 0.145 nan 8.150 nan 0.000 0.443 27 V N 1.267 121.180 119.914 -0.002 0.000 2.379 27 V HA -0.221 3.898 4.120 -0.000 0.000 0.245 27 V C 2.529 178.623 176.094 -0.001 0.000 1.044 27 V CA 2.168 64.467 62.300 -0.003 0.000 1.036 27 V CB -0.632 31.189 31.823 -0.003 0.000 0.664 27 V HN 0.840 nan 8.190 nan 0.000 0.453 28 K N 1.390 121.790 120.400 0.001 0.000 2.365 28 K HA -0.072 4.247 4.320 -0.000 0.000 0.199 28 K C 1.827 178.429 176.600 0.002 0.000 1.045 28 K CA 1.608 57.897 56.287 0.003 0.000 0.962 28 K CB -0.497 32.006 32.500 0.005 0.000 0.759 28 K HN 0.475 nan 8.250 nan 0.000 0.469 29 V N 0.104 120.018 119.914 0.001 0.000 3.078 29 V HA -0.115 4.005 4.120 -0.000 0.000 0.265 29 V C 1.990 178.084 176.094 0.000 0.000 1.122 29 V CA 1.677 63.978 62.300 0.001 0.000 1.141 29 V CB -1.056 30.767 31.823 -0.000 0.000 0.735 29 V HN 0.523 nan 8.190 nan 0.000 0.498 30 T N -2.059 112.495 114.554 -0.001 0.000 3.107 30 T HA 0.295 4.645 4.350 -0.000 0.000 0.249 30 T C 0.476 175.176 174.700 -0.001 0.000 1.096 30 T CA -0.084 62.015 62.100 -0.002 0.000 1.012 30 T CB -0.184 68.681 68.868 -0.004 0.000 0.977 30 T HN 0.400 nan 8.240 nan 0.000 0.527 31 L N 2.585 123.809 121.223 0.002 0.000 2.360 31 L HA 0.578 4.918 4.340 -0.000 0.000 0.276 31 L C 0.733 177.606 176.870 0.005 0.000 1.121 31 L CA 1.459 56.301 54.840 0.004 0.000 0.845 31 L CB -0.446 41.617 42.059 0.007 0.000 1.143 31 L HN 0.638 nan 8.230 nan 0.000 0.452 32 G N 4.570 113.371 108.800 0.003 0.000 2.698 32 G HA2 -0.181 3.778 3.960 -0.000 0.000 0.225 32 G HA3 -0.181 3.778 3.960 -0.000 0.000 0.225 32 G C -1.943 172.955 174.900 -0.004 0.000 1.345 32 G CA -0.280 44.821 45.100 0.001 0.000 0.871 32 G HN 0.572 nan 8.290 nan 0.000 0.540 33 P HA 0.046 nan 4.420 nan 0.000 0.222 33 P C 0.851 178.143 177.300 -0.014 0.000 1.147 33 P CA 1.239 64.328 63.100 -0.018 0.000 0.790 33 P CB 0.120 31.801 31.700 -0.032 0.000 0.780 34 K N 0.254 120.651 120.400 -0.006 0.000 2.593 34 K HA 0.253 4.573 4.320 -0.000 0.000 0.208 34 K C 0.944 177.544 176.600 0.000 0.000 1.051 34 K CA -0.225 56.060 56.287 -0.003 0.000 1.111 34 K CB 0.466 32.968 32.500 0.003 0.000 0.849 34 K HN 0.029 nan 8.250 nan 0.000 0.479 35 G N 1.766 110.565 108.800 -0.001 0.000 2.391 35 G HA2 -0.029 3.930 3.960 -0.000 0.000 0.234 35 G HA3 -0.029 3.930 3.960 -0.000 0.000 0.234 35 G C 0.202 175.101 174.900 -0.002 0.000 1.284 35 G CA -0.236 44.863 45.100 -0.001 0.000 0.873 35 G HN 0.104 nan 8.290 nan 0.000 0.549 36 R N 1.279 121.778 120.500 -0.001 0.000 2.549 36 R HA 0.189 4.529 4.340 -0.000 0.000 0.267 36 R C 0.165 176.463 176.300 -0.003 0.000 1.045 36 R CA -0.754 55.344 56.100 -0.002 0.000 1.115 36 R CB 0.485 30.784 30.300 -0.001 0.000 1.121 36 R HN 0.653 nan 8.270 nan 0.000 0.543 37 N N -0.705 117.992 118.700 -0.004 0.000 2.530 37 N HA 0.231 4.971 4.740 -0.000 0.000 0.273 37 N C -0.795 174.712 175.510 -0.005 0.000 1.173 37 N CA -0.280 52.767 53.050 -0.005 0.000 0.967 37 N CB 1.064 39.548 38.487 -0.004 0.000 1.109 37 N HN 0.104 nan 8.380 nan 0.000 0.453 38 V N 1.944 121.854 119.914 -0.006 0.000 2.628 38 V HA 0.386 4.506 4.120 -0.000 0.000 0.306 38 V C -0.308 175.782 176.094 -0.007 0.000 1.045 38 V CA -0.809 61.487 62.300 -0.006 0.000 0.905 38 V CB 1.928 33.747 31.823 -0.006 0.000 0.997 38 V HN 0.310 nan 8.190 nan 0.000 0.436 39 V N 5.931 125.841 119.914 -0.007 0.000 2.370 39 V HA 0.485 4.604 4.120 -0.000 0.000 0.283 39 V C -0.341 175.747 176.094 -0.010 0.000 1.023 39 V CA -0.416 61.879 62.300 -0.008 0.000 0.857 39 V CB 1.360 33.178 31.823 -0.008 0.000 0.985 39 V HN 0.619 nan 8.190 nan 0.000 0.443 40 L N 3.779 124.996 121.223 -0.010 0.000 2.298 40 L HA 0.533 4.873 4.340 -0.000 0.000 0.284 40 L C -0.076 176.785 176.870 -0.015 0.000 1.013 40 L CA -0.609 54.224 54.840 -0.012 0.000 0.824 40 L CB 1.538 43.591 42.059 -0.011 0.000 1.221 40 L HN 0.479 nan 8.230 nan 0.000 0.418 41 D N 3.371 123.759 120.400 -0.021 0.000 2.423 41 D HA 0.182 4.822 4.640 -0.000 0.000 0.238 41 D C -0.396 175.885 176.300 -0.031 0.000 1.142 41 D CA 0.447 54.429 54.000 -0.029 0.000 0.884 41 D CB 1.009 41.786 40.800 -0.040 0.000 1.199 41 D HN 0.374 nan 8.370 nan 0.000 0.438 42 K N 0.068 120.445 120.400 -0.037 0.000 2.385 42 K HA 0.208 4.527 4.320 -0.000 0.000 0.248 42 K C 0.884 177.427 176.600 -0.096 0.000 0.955 42 K CA -0.573 55.694 56.287 -0.033 0.000 0.816 42 K CB 1.724 34.227 32.500 0.004 0.000 1.250 42 K HN 0.372 nan 8.250 nan 0.000 0.434 43 S N 0.743 116.361 115.700 -0.137 0.000 2.489 43 S HA 0.058 4.528 4.470 -0.000 0.000 0.228 43 S C 0.271 174.457 174.600 -0.690 0.000 0.995 43 S CA 0.450 58.415 58.200 -0.391 0.000 0.934 43 S CB -0.117 62.822 63.200 -0.434 0.000 0.771 43 S HN 0.373 nan 8.310 nan 0.000 0.522 44 F N 1.167 121.114 119.950 -0.004 0.000 2.540 44 F HA 0.676 5.203 4.527 -0.000 0.000 0.317 44 F C 1.028 176.826 175.800 -0.004 0.000 1.104 44 F CA -0.031 57.967 58.000 -0.004 0.000 0.913 44 F CB 1.633 40.630 39.000 -0.004 0.000 1.170 44 F HN 0.363 nan 8.300 nan 0.000 0.450 45 G N 1.226 110.125 108.800 0.165 0.000 2.598 45 G HA2 0.165 4.124 3.960 -0.000 0.000 0.244 45 G HA3 0.165 4.124 3.960 -0.000 0.000 0.244 45 G C -0.585 174.343 174.900 0.046 0.000 1.302 45 G CA -0.538 44.620 45.100 0.095 0.000 0.903 45 G HN 1.219 nan 8.290 nan 0.000 0.575 46 A N 1.262 124.104 122.820 0.035 0.000 2.340 46 A HA 0.754 5.074 4.320 -0.000 0.000 0.268 46 A C -1.295 176.297 177.584 0.012 0.000 1.100 46 A CA -0.200 51.847 52.037 0.018 0.000 0.803 46 A CB 0.082 19.091 19.000 0.015 0.000 1.043 46 A HN 0.803 nan 8.150 nan 0.000 0.488 47 P HA 0.193 nan 4.420 nan 0.000 0.272 47 P C -0.161 177.140 177.300 0.001 0.000 1.223 47 P CA -0.004 63.094 63.100 -0.002 0.000 0.784 47 P CB 0.199 31.893 31.700 -0.009 0.000 0.923 48 T N 2.294 116.848 114.554 0.000 0.000 2.884 48 T HA 0.335 4.685 4.350 -0.000 0.000 0.298 48 T C 0.475 175.173 174.700 -0.003 0.000 0.998 48 T CA 0.126 62.226 62.100 -0.000 0.000 1.124 48 T CB -0.212 68.656 68.868 -0.001 0.000 0.931 48 T HN 0.191 nan 8.240 nan 0.000 0.531 49 I N 2.798 123.366 120.570 -0.003 0.000 2.362 49 I HA 0.452 4.621 4.170 -0.000 0.000 0.289 49 I C 0.390 176.504 176.117 -0.005 0.000 0.994 49 I CA -0.464 60.834 61.300 -0.004 0.000 1.158 49 I CB 1.854 39.852 38.000 -0.003 0.000 1.315 49 I HN 0.521 nan 8.210 nan 0.000 0.451 50 T N 4.568 119.118 114.554 -0.006 0.000 2.900 50 T HA 0.416 4.766 4.350 -0.000 0.000 0.303 50 T C -0.143 174.553 174.700 -0.008 0.000 1.142 50 T CA -0.598 61.497 62.100 -0.007 0.000 1.007 50 T CB 1.640 70.503 68.868 -0.009 0.000 1.156 50 T HN 0.654 nan 8.240 nan 0.000 0.490 51 K N 1.684 122.079 120.400 -0.009 0.000 2.478 51 K HA 0.225 4.544 4.320 -0.000 0.000 0.205 51 K C -0.725 175.869 176.600 -0.010 0.000 1.033 51 K CA -0.297 55.985 56.287 -0.008 0.000 1.091 51 K CB 0.534 33.030 32.500 -0.008 0.000 0.844 51 K HN 0.498 nan 8.250 nan 0.000 0.507 52 D N -0.373 120.020 120.400 -0.012 0.000 2.280 52 D HA 0.165 4.804 4.640 -0.000 0.000 0.236 52 D C 1.150 177.441 176.300 -0.014 0.000 1.082 52 D CA -0.343 53.649 54.000 -0.014 0.000 0.834 52 D CB 1.508 42.298 40.800 -0.017 0.000 1.100 52 D HN 0.101 nan 8.370 nan 0.000 0.486 53 G N 2.283 111.074 108.800 -0.014 0.000 2.408 53 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.217 53 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.217 53 G C 1.462 176.352 174.900 -0.016 0.000 1.150 53 G CA 0.629 45.721 45.100 -0.012 0.000 0.776 53 G HN 0.475 nan 8.290 nan 0.000 0.542 54 V N 1.241 121.143 119.914 -0.020 0.000 2.295 54 V HA -0.207 3.912 4.120 -0.000 0.000 0.246 54 V C 3.134 179.215 176.094 -0.022 0.000 1.049 54 V CA 2.253 64.538 62.300 -0.024 0.000 1.024 54 V CB -0.645 31.160 31.823 -0.030 0.000 0.648 54 V HN 0.377 nan 8.190 nan 0.000 0.447 55 S N 0.024 115.712 115.700 -0.020 0.000 2.365 55 S HA -0.219 4.251 4.470 -0.000 0.000 0.225 55 S C 1.993 176.584 174.600 -0.015 0.000 1.039 55 S CA 1.802 59.992 58.200 -0.016 0.000 1.033 55 S CB -0.409 62.782 63.200 -0.014 0.000 0.887 55 S HN 0.405 nan 8.310 nan 0.000 0.447 56 V N 2.009 121.915 119.914 -0.013 0.000 2.295 56 V HA -0.194 3.925 4.120 -0.000 0.000 0.246 56 V C 2.670 178.757 176.094 -0.013 0.000 1.049 56 V CA 1.653 63.946 62.300 -0.012 0.000 1.024 56 V CB -1.346 30.471 31.823 -0.010 0.000 0.648 56 V HN 0.555 nan 8.190 nan 0.000 0.447 57 A N 0.107 122.918 122.820 -0.014 0.000 1.908 57 A HA -0.242 4.077 4.320 -0.000 0.000 0.218 57 A C 2.356 179.929 177.584 -0.018 0.000 1.181 57 A CA 1.825 53.852 52.037 -0.015 0.000 0.627 57 A CB -0.554 18.435 19.000 -0.018 0.000 0.818 57 A HN 0.506 nan 8.150 nan 0.000 0.445 58 R N -0.463 120.025 120.500 -0.019 0.000 2.200 58 R HA -0.101 4.238 4.340 -0.000 0.000 0.234 58 R C 1.291 177.580 176.300 -0.018 0.000 1.127 58 R CA 1.222 57.310 56.100 -0.020 0.000 0.989 58 R CB -0.146 30.142 30.300 -0.020 0.000 0.869 58 R HN 0.511 nan 8.270 nan 0.000 0.459 59 E N 0.169 120.360 120.200 -0.016 0.000 2.442 59 E HA 0.042 4.392 4.350 -0.000 0.000 0.195 59 E C 0.419 177.010 176.600 -0.015 0.000 1.030 59 E CA 0.216 56.607 56.400 -0.015 0.000 0.869 59 E CB 0.312 30.003 29.700 -0.014 0.000 0.857 59 E HN 0.134 nan 8.360 nan 0.000 0.505 60 I N 2.239 122.801 120.570 -0.014 0.000 2.379 60 I HA 0.148 4.318 4.170 -0.000 0.000 0.290 60 I C 0.353 176.462 176.117 -0.014 0.000 1.063 60 I CA 0.093 61.385 61.300 -0.012 0.000 1.351 60 I CB 0.148 38.142 38.000 -0.010 0.000 1.410 60 I HN -0.027 nan 8.210 nan 0.000 0.505 61 E N 7.310 127.501 120.200 -0.014 0.000 2.321 61 E HA 0.576 4.926 4.350 -0.000 0.000 0.278 61 E C -1.896 174.696 176.600 -0.014 0.000 0.902 61 E CA -0.605 55.785 56.400 -0.016 0.000 0.758 61 E CB 2.045 31.733 29.700 -0.019 0.000 1.213 61 E HN 0.454 nan 8.360 nan 0.000 0.426 62 L N 3.195 124.410 121.223 -0.013 0.000 2.319 62 L HA 0.431 4.771 4.340 -0.000 0.000 0.267 62 L C 1.311 178.174 176.870 -0.011 0.000 1.011 62 L CA -0.652 54.184 54.840 -0.007 0.000 0.818 62 L CB 1.697 43.757 42.059 0.001 0.000 1.316 62 L HN 0.757 nan 8.230 nan 0.000 0.432 63 E N 0.377 120.574 120.200 -0.005 0.000 2.028 63 E HA -0.149 4.201 4.350 -0.000 0.000 0.190 63 E C 0.414 177.014 176.600 -0.000 0.000 0.984 63 E CA 0.434 56.831 56.400 -0.006 0.000 0.800 63 E CB 0.273 29.972 29.700 -0.000 0.000 0.758 63 E HN 0.655 nan 8.360 nan 0.000 0.448 64 D N 0.796 121.208 120.400 0.019 0.000 2.434 64 D HA -0.071 4.569 4.640 -0.000 0.000 0.252 64 D C 0.515 176.829 176.300 0.024 0.000 1.185 64 D CA 0.234 54.262 54.000 0.046 0.000 0.886 64 D CB 0.944 41.792 40.800 0.080 0.000 1.148 64 D HN 0.079 nan 8.370 nan 0.000 0.483 65 K N 3.472 123.851 120.400 -0.035 0.000 2.288 65 K HA -0.096 4.223 4.320 -0.000 0.000 0.201 65 K C 1.663 178.117 176.600 -0.243 0.000 1.048 65 K CA 0.704 56.882 56.287 -0.182 0.000 0.956 65 K CB 0.039 32.349 32.500 -0.316 0.000 0.746 65 K HN 0.453 nan 8.250 nan 0.000 0.461 66 F N 1.882 121.821 119.950 -0.018 0.000 2.179 66 F HA 0.001 4.528 4.527 -0.000 0.000 0.292 66 F C 2.358 178.148 175.800 -0.017 0.000 1.089 66 F CA 0.815 58.802 58.000 -0.021 0.000 1.295 66 F CB -0.319 38.668 39.000 -0.022 0.000 1.041 66 F HN 0.003 nan 8.300 nan 0.000 0.487 67 E N 0.237 120.541 120.200 0.174 0.000 2.058 67 E HA -0.288 4.062 4.350 -0.000 0.000 0.194 67 E C 1.816 178.443 176.600 0.044 0.000 0.997 67 E CA 1.542 57.994 56.400 0.087 0.000 0.801 67 E CB -0.407 29.333 29.700 0.066 0.000 0.746 67 E HN 0.300 nan 8.360 nan 0.000 0.450 68 N N 0.639 119.351 118.700 0.020 0.000 2.069 68 N HA -0.187 4.553 4.740 -0.000 0.000 0.191 68 N C 1.778 177.280 175.510 -0.014 0.000 1.031 68 N CA 1.462 54.507 53.050 -0.010 0.000 0.852 68 N CB -0.056 38.411 38.487 -0.033 0.000 1.018 68 N HN 0.070 nan 8.380 nan 0.000 0.423 69 M N -0.550 119.037 119.600 -0.021 0.000 2.082 69 M HA -0.119 4.360 4.480 -0.000 0.000 0.258 69 M C 2.213 178.519 176.300 0.011 0.000 1.069 69 M CA 1.947 57.239 55.300 -0.013 0.000 1.102 69 M CB -0.799 31.791 32.600 -0.016 0.000 1.336 69 M HN 0.357 nan 8.290 nan 0.000 0.404 70 G N -0.282 108.538 108.800 0.033 0.000 2.476 70 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.218 70 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.218 70 G C 1.593 176.503 174.900 0.016 0.000 1.164 70 G CA 1.184 46.302 45.100 0.030 0.000 0.768 70 G HN 0.578 nan 8.290 nan 0.000 0.560 71 A N -0.062 122.765 122.820 0.011 0.000 1.898 71 A HA -0.052 4.268 4.320 -0.000 0.000 0.216 71 A C 2.422 180.005 177.584 -0.003 0.000 1.181 71 A CA 1.960 53.999 52.037 0.004 0.000 0.620 71 A CB -0.322 18.678 19.000 0.000 0.000 0.819 71 A HN 0.330 nan 8.150 nan 0.000 0.442 72 Q N -0.619 119.177 119.800 -0.007 0.000 2.167 72 Q HA -0.055 4.285 4.340 -0.000 0.000 0.202 72 Q C 2.114 178.108 176.000 -0.010 0.000 0.970 72 Q CA 1.335 57.130 55.803 -0.013 0.000 0.855 72 Q CB -0.525 28.200 28.738 -0.021 0.000 0.911 72 Q HN 0.769 nan 8.270 nan 0.000 0.438 73 M N -0.284 119.314 119.600 -0.003 0.000 2.067 73 M HA -0.128 4.352 4.480 -0.000 0.000 0.260 73 M C 2.288 178.591 176.300 0.005 0.000 1.069 73 M CA 1.183 56.485 55.300 0.003 0.000 1.117 73 M CB -0.431 32.175 32.600 0.010 0.000 1.334 73 M HN 0.079 nan 8.290 nan 0.000 0.407 74 V N 0.344 120.263 119.914 0.008 0.000 2.594 74 V HA -0.245 3.874 4.120 -0.000 0.000 0.253 74 V C 1.957 178.050 176.094 -0.001 0.000 1.069 74 V CA 1.900 64.206 62.300 0.010 0.000 1.082 74 V CB -0.431 31.400 31.823 0.013 0.000 0.680 74 V HN 0.411 nan 8.190 nan 0.000 0.469 75 K N -0.301 120.094 120.400 -0.009 0.000 2.280 75 K HA -0.123 4.197 4.320 -0.000 0.000 0.202 75 K C 2.005 178.585 176.600 -0.034 0.000 1.047 75 K CA 1.226 57.501 56.287 -0.020 0.000 0.942 75 K CB -0.069 32.418 32.500 -0.022 0.000 0.739 75 K HN 0.458 nan 8.250 nan 0.000 0.457 76 E N 0.151 120.334 120.200 -0.030 0.000 2.338 76 E HA -0.127 4.223 4.350 -0.000 0.000 0.197 76 E C 1.791 178.348 176.600 -0.072 0.000 1.007 76 E CA 0.648 57.020 56.400 -0.047 0.000 0.849 76 E CB 0.114 29.800 29.700 -0.024 0.000 0.774 76 E HN 0.105 nan 8.360 nan 0.000 0.506 77 V N 1.232 121.125 119.914 -0.035 0.000 2.255 77 V HA -0.211 3.909 4.120 -0.000 0.000 0.243 77 V C 2.440 178.489 176.094 -0.076 0.000 1.038 77 V CA 1.661 63.947 62.300 -0.022 0.000 1.008 77 V CB -0.867 30.977 31.823 0.035 0.000 0.645 77 V HN 0.233 nan 8.190 nan 0.000 0.449 78 A N 1.019 123.810 122.820 -0.049 0.000 1.869 78 A HA -0.310 4.010 4.320 -0.000 0.000 0.218 78 A C 2.572 180.092 177.584 -0.106 0.000 1.203 78 A CA 3.255 55.258 52.037 -0.056 0.000 0.638 78 A CB -1.126 17.852 19.000 -0.037 0.000 0.831 78 A HN 0.711 nan 8.150 nan 0.000 0.450 79 S N -0.314 115.318 115.700 -0.113 0.000 2.383 79 S HA -0.157 4.312 4.470 -0.000 0.000 0.227 79 S C 1.841 176.321 174.600 -0.199 0.000 1.026 79 S CA 1.479 59.605 58.200 -0.123 0.000 0.981 79 S CB -0.358 62.787 63.200 -0.091 0.000 0.818 79 S HN 0.594 nan 8.310 nan 0.000 0.472 80 K N 1.822 122.025 120.400 -0.328 0.000 2.057 80 K HA 0.126 4.446 4.320 -0.000 0.000 0.207 80 K C 2.506 178.692 176.600 -0.689 0.000 1.049 80 K CA 1.215 57.144 56.287 -0.597 0.000 0.931 80 K CB -0.567 31.338 32.500 -0.992 0.000 0.714 80 K HN 0.494 nan 8.250 nan 0.000 0.440 81 A N 1.505 123.999 122.820 -0.542 0.000 1.972 81 A HA -0.210 4.109 4.320 -0.000 0.000 0.219 81 A C 1.945 179.482 177.584 -0.078 0.000 1.169 81 A CA 1.726 53.653 52.037 -0.183 0.000 0.635 81 A CB -0.578 18.423 19.000 0.002 0.000 0.810 81 A HN 0.252 nan 8.150 nan 0.000 0.446 82 N N 0.686 119.326 118.700 -0.100 0.000 2.028 82 N HA -0.161 4.578 4.740 -0.000 0.000 0.194 82 N C 1.153 176.642 175.510 -0.036 0.000 1.050 82 N CA 1.873 54.891 53.050 -0.054 0.000 0.848 82 N CB -0.430 38.019 38.487 -0.063 0.000 1.038 82 N HN 0.383 nan 8.380 nan 0.000 0.423 83 D N -0.046 120.313 120.400 -0.069 0.000 2.172 83 D HA -0.175 4.464 4.640 -0.000 0.000 0.196 83 D C 1.570 177.870 176.300 -0.000 0.000 0.999 83 D CA 1.577 55.552 54.000 -0.041 0.000 0.856 83 D CB -0.503 40.254 40.800 -0.073 0.000 0.934 83 D HN 0.470 nan 8.370 nan 0.000 0.453 84 A N -0.240 122.583 122.820 0.005 0.000 1.975 84 A HA 0.377 4.696 4.320 -0.000 0.000 0.215 84 A C 1.999 179.639 177.584 0.092 0.000 1.170 84 A CA 1.584 53.670 52.037 0.082 0.000 0.656 84 A CB 0.183 19.305 19.000 0.204 0.000 0.821 84 A HN 0.247 nan 8.150 nan 0.000 0.449 85 A N -2.869 120.012 122.820 0.101 0.000 2.474 85 A HA 0.466 4.785 4.320 -0.000 0.000 0.221 85 A C 1.594 179.308 177.584 0.217 0.000 1.298 85 A CA 1.050 53.164 52.037 0.128 0.000 1.008 85 A CB -0.384 18.683 19.000 0.112 0.000 1.217 85 A HN 1.810 nan 8.150 nan 0.000 0.553 86 G N -0.091 108.795 108.800 0.144 0.000 2.258 86 G HA2 -0.163 3.796 3.960 -0.000 0.000 0.274 86 G HA3 -0.163 3.796 3.960 -0.000 0.000 0.274 86 G C -0.186 174.711 174.900 -0.005 0.000 1.021 86 G CA 0.991 46.127 45.100 0.060 0.000 0.798 86 G HN 0.831 nan 8.290 nan 0.000 0.507 87 D N -2.812 117.611 120.400 0.039 0.000 2.710 87 D HA 0.551 5.191 4.640 -0.000 0.000 0.276 87 D C 0.847 177.164 176.300 0.029 0.000 1.267 87 D CA 1.125 55.136 54.000 0.018 0.000 0.772 87 D CB 0.342 41.168 40.800 0.043 0.000 1.299 87 D HN 1.332 nan 8.370 nan 0.000 0.421 88 G N 0.065 108.878 108.800 0.021 0.000 2.136 88 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.242 88 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.242 88 G C 0.975 175.889 174.900 0.024 0.000 0.989 88 G CA 1.727 46.844 45.100 0.028 0.000 0.682 88 G HN 0.926 nan 8.290 nan 0.000 0.522 89 T N -3.185 111.373 114.554 0.007 0.000 2.821 89 T HA -0.058 4.292 4.350 -0.000 0.000 0.267 89 T C 2.222 176.924 174.700 0.004 0.000 1.046 89 T CA 2.473 64.572 62.100 -0.002 0.000 1.139 89 T CB -0.424 68.432 68.868 -0.019 0.000 0.871 89 T HN 0.299 nan 8.240 nan 0.000 0.454 90 T N 1.878 116.434 114.554 0.004 0.000 2.812 90 T HA -0.051 4.299 4.350 -0.000 0.000 0.264 90 T C 2.238 176.945 174.700 0.013 0.000 1.042 90 T CA 1.649 63.752 62.100 0.005 0.000 1.140 90 T CB -0.953 67.917 68.868 0.003 0.000 0.870 90 T HN 0.481 nan 8.240 nan 0.000 0.445 91 T N 2.386 116.950 114.554 0.017 0.000 2.624 91 T HA -0.210 4.140 4.350 -0.000 0.000 0.268 91 T C 2.359 177.077 174.700 0.030 0.000 1.041 91 T CA 1.580 63.694 62.100 0.024 0.000 1.159 91 T CB -0.712 68.172 68.868 0.028 0.000 0.863 91 T HN 0.460 nan 8.240 nan 0.000 0.434 92 A N 1.006 123.848 122.820 0.037 0.000 1.908 92 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 92 A C 2.583 180.191 177.584 0.039 0.000 1.181 92 A CA 2.263 54.331 52.037 0.051 0.000 0.627 92 A CB -1.240 17.801 19.000 0.067 0.000 0.818 92 A HN 0.520 nan 8.150 nan 0.000 0.445 93 T N -0.480 114.089 114.554 0.025 0.000 2.777 93 T HA -0.122 4.228 4.350 -0.000 0.000 0.266 93 T C 1.998 176.709 174.700 0.019 0.000 1.040 93 T CA 1.659 63.771 62.100 0.019 0.000 1.141 93 T CB -0.702 68.171 68.868 0.009 0.000 0.868 93 T HN 0.578 nan 8.240 nan 0.000 0.444 94 V N 1.453 121.378 119.914 0.018 0.000 2.295 94 V HA -0.133 3.987 4.120 -0.000 0.000 0.246 94 V C 2.226 178.332 176.094 0.019 0.000 1.049 94 V CA 1.607 63.916 62.300 0.016 0.000 1.024 94 V CB -0.931 30.900 31.823 0.014 0.000 0.648 94 V HN 0.492 nan 8.190 nan 0.000 0.447 95 L N 0.638 121.876 121.223 0.024 0.000 2.013 95 L HA -0.141 4.199 4.340 -0.000 0.000 0.212 95 L C 3.040 179.925 176.870 0.026 0.000 1.073 95 L CA 2.080 56.935 54.840 0.026 0.000 0.753 95 L CB -1.025 41.053 42.059 0.032 0.000 0.890 95 L HN 0.485 nan 8.230 nan 0.000 0.432 96 A N -0.667 122.171 122.820 0.030 0.000 1.902 96 A HA -0.296 4.024 4.320 -0.000 0.000 0.217 96 A C 2.279 179.877 177.584 0.023 0.000 1.181 96 A CA 1.974 54.029 52.037 0.030 0.000 0.623 96 A CB -0.641 18.381 19.000 0.036 0.000 0.818 96 A HN 0.538 nan 8.150 nan 0.000 0.443 97 Q N -0.508 119.303 119.800 0.019 0.000 2.084 97 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 97 Q C 2.169 178.178 176.000 0.014 0.000 0.978 97 Q CA 1.590 57.403 55.803 0.015 0.000 0.844 97 Q CB -0.371 28.375 28.738 0.013 0.000 0.898 97 Q HN 0.576 nan 8.270 nan 0.000 0.426 98 A N 0.899 123.728 122.820 0.014 0.000 1.908 98 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 98 A C 1.981 179.573 177.584 0.013 0.000 1.181 98 A CA 1.591 53.635 52.037 0.013 0.000 0.627 98 A CB -0.663 18.344 19.000 0.013 0.000 0.818 98 A HN 0.498 nan 8.150 nan 0.000 0.445 99 I N -0.673 119.906 120.570 0.015 0.000 2.286 99 I HA -0.187 3.982 4.170 -0.000 0.000 0.245 99 I C 2.247 178.372 176.117 0.014 0.000 1.104 99 I CA 1.064 62.372 61.300 0.014 0.000 1.397 99 I CB -0.292 37.717 38.000 0.016 0.000 1.072 99 I HN 0.265 nan 8.210 nan 0.000 0.417 100 I N 0.280 120.860 120.570 0.016 0.000 2.252 100 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 100 I C 2.546 178.671 176.117 0.013 0.000 1.102 100 I CA 1.423 62.732 61.300 0.015 0.000 1.385 100 I CB -0.501 37.510 38.000 0.017 0.000 1.064 100 I HN 0.215 nan 8.210 nan 0.000 0.414 101 T N 0.185 114.746 114.554 0.012 0.000 2.674 101 T HA -0.137 4.213 4.350 -0.000 0.000 0.265 101 T C 1.830 176.535 174.700 0.008 0.000 1.039 101 T CA 1.241 63.347 62.100 0.010 0.000 1.150 101 T CB -0.120 68.754 68.868 0.009 0.000 0.864 101 T HN 0.279 nan 8.240 nan 0.000 0.427 102 E N 0.649 120.854 120.200 0.008 0.000 2.107 102 E HA 0.003 4.353 4.350 -0.000 0.000 0.191 102 E C 2.521 179.126 176.600 0.008 0.000 0.982 102 E CA 0.926 57.330 56.400 0.007 0.000 0.809 102 E CB -0.758 28.946 29.700 0.007 0.000 0.756 102 E HN 0.552 nan 8.360 nan 0.000 0.459 103 G N 1.595 110.400 108.800 0.009 0.000 2.421 103 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 103 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 103 G C 1.742 176.647 174.900 0.009 0.000 1.171 103 G CA 0.503 45.608 45.100 0.009 0.000 0.775 103 G HN 0.165 nan 8.290 nan 0.000 0.543 104 L N -0.162 121.067 121.223 0.010 0.000 2.141 104 L HA -0.028 4.312 4.340 -0.000 0.000 0.209 104 L C 2.930 179.805 176.870 0.007 0.000 1.094 104 L CA 1.036 55.881 54.840 0.009 0.000 0.763 104 L CB -0.299 41.766 42.059 0.009 0.000 0.908 104 L HN 0.181 nan 8.230 nan 0.000 0.437 105 K N 0.096 120.500 120.400 0.006 0.000 2.057 105 K HA -0.161 4.159 4.320 -0.000 0.000 0.207 105 K C 2.250 178.853 176.600 0.005 0.000 1.049 105 K CA 1.344 57.634 56.287 0.005 0.000 0.931 105 K CB -0.173 32.329 32.500 0.004 0.000 0.714 105 K HN 0.289 nan 8.250 nan 0.000 0.440 106 A N 0.887 123.710 122.820 0.005 0.000 1.877 106 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 106 A C 2.316 179.904 177.584 0.006 0.000 1.186 106 A CA 1.513 53.553 52.037 0.005 0.000 0.620 106 A CB -0.694 18.309 19.000 0.006 0.000 0.822 106 A HN 0.083 nan 8.150 nan 0.000 0.443 107 V N -0.066 119.852 119.914 0.007 0.000 2.287 107 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 107 V C 3.022 179.120 176.094 0.007 0.000 1.053 107 V CA 2.044 64.349 62.300 0.008 0.000 1.027 107 V CB -1.268 30.561 31.823 0.010 0.000 0.646 107 V HN 0.618 nan 8.190 nan 0.000 0.447 108 A N -0.248 122.575 122.820 0.005 0.000 2.070 108 A HA 0.025 4.344 4.320 -0.000 0.000 0.220 108 A C 2.195 179.780 177.584 0.002 0.000 1.159 108 A CA 1.639 53.678 52.037 0.004 0.000 0.656 108 A CB -0.505 18.496 19.000 0.002 0.000 0.800 108 A HN 0.604 nan 8.150 nan 0.000 0.453 109 A N -1.923 120.899 122.820 0.003 0.000 2.238 109 A HA 0.424 4.744 4.320 -0.000 0.000 0.208 109 A C 1.667 179.253 177.584 0.002 0.000 1.177 109 A CA 1.152 53.190 52.037 0.002 0.000 0.804 109 A CB -0.739 18.263 19.000 0.002 0.000 0.823 109 A HN 1.794 nan 8.150 nan 0.000 0.482 110 G N -1.716 107.086 108.800 0.003 0.000 2.159 110 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.227 110 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.227 110 G C 0.153 175.055 174.900 0.003 0.000 0.986 110 G CA 0.165 45.267 45.100 0.003 0.000 0.651 110 G HN 0.351 nan 8.290 nan 0.000 0.523 111 M N 0.607 120.209 119.600 0.004 0.000 2.255 111 M HA 0.272 4.752 4.480 -0.000 0.000 0.336 111 M C 0.621 176.924 176.300 0.006 0.000 1.135 111 M CA -0.621 54.681 55.300 0.004 0.000 1.145 111 M CB 0.578 33.181 32.600 0.004 0.000 1.473 111 M HN 0.162 nan 8.290 nan 0.000 0.462 112 N N 2.621 121.324 118.700 0.006 0.000 2.420 112 N HA 0.124 4.864 4.740 -0.000 0.000 0.262 112 N C -2.160 173.355 175.510 0.008 0.000 1.144 112 N CA -1.502 51.552 53.050 0.007 0.000 0.952 112 N CB 1.142 39.633 38.487 0.006 0.000 1.081 112 N HN 0.258 nan 8.380 nan 0.000 0.480 113 P HA -0.082 nan 4.420 nan 0.000 0.217 113 P C 1.590 178.897 177.300 0.010 0.000 1.150 113 P CA 1.256 64.363 63.100 0.011 0.000 0.832 113 P CB 0.199 31.908 31.700 0.015 0.000 0.787 114 M N -0.878 118.728 119.600 0.010 0.000 2.229 114 M HA -0.104 4.376 4.480 -0.000 0.000 0.264 114 M C 1.269 177.572 176.300 0.006 0.000 1.063 114 M CA 1.530 56.835 55.300 0.009 0.000 1.114 114 M CB -1.503 31.102 32.600 0.009 0.000 1.387 114 M HN -0.006 nan 8.290 nan 0.000 0.420 115 D N 0.616 121.019 120.400 0.006 0.000 2.137 115 D HA 0.022 4.662 4.640 -0.000 0.000 0.202 115 D C 2.355 178.658 176.300 0.004 0.000 0.970 115 D CA 0.808 54.810 54.000 0.004 0.000 0.837 115 D CB -0.094 40.709 40.800 0.004 0.000 0.981 115 D HN 0.306 nan 8.370 nan 0.000 0.475 116 L N 0.942 122.168 121.223 0.005 0.000 2.012 116 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 116 L C 2.546 179.419 176.870 0.005 0.000 1.073 116 L CA 1.361 56.205 54.840 0.006 0.000 0.748 116 L CB -0.382 41.681 42.059 0.007 0.000 0.891 116 L HN -0.004 nan 8.230 nan 0.000 0.431 117 K N 0.335 120.739 120.400 0.006 0.000 2.057 117 K HA -0.240 4.080 4.320 -0.000 0.000 0.207 117 K C 2.319 178.921 176.600 0.002 0.000 1.049 117 K CA 1.399 57.689 56.287 0.005 0.000 0.931 117 K CB -0.036 32.468 32.500 0.007 0.000 0.714 117 K HN 0.063 nan 8.250 nan 0.000 0.440 118 R N 0.019 120.521 120.500 0.002 0.000 2.083 118 R HA -0.106 4.234 4.340 -0.000 0.000 0.237 118 R C 2.312 178.611 176.300 -0.000 0.000 1.137 118 R CA 1.898 57.998 56.100 0.000 0.000 0.951 118 R CB -0.802 29.498 30.300 0.001 0.000 0.851 118 R HN 0.407 nan 8.270 nan 0.000 0.434 119 G N 1.069 109.869 108.800 0.001 0.000 2.529 119 G HA2 -0.309 3.650 3.960 -0.000 0.000 0.219 119 G HA3 -0.309 3.650 3.960 -0.000 0.000 0.219 119 G C 1.449 176.349 174.900 0.000 0.000 1.177 119 G CA 1.417 46.517 45.100 0.001 0.000 0.773 119 G HN 0.336 nan 8.290 nan 0.000 0.573 120 I N 0.882 121.453 120.570 0.001 0.000 2.208 120 I HA -0.153 4.017 4.170 -0.000 0.000 0.245 120 I C 2.308 178.423 176.117 -0.004 0.000 1.097 120 I CA 1.387 62.688 61.300 0.000 0.000 1.363 120 I CB -0.202 37.800 38.000 0.003 0.000 1.051 120 I HN 0.054 nan 8.210 nan 0.000 0.413 121 D N 0.545 120.942 120.400 -0.005 0.000 2.144 121 D HA -0.187 4.453 4.640 -0.000 0.000 0.200 121 D C 2.085 178.379 176.300 -0.011 0.000 0.978 121 D CA 1.065 55.058 54.000 -0.011 0.000 0.833 121 D CB -0.155 40.639 40.800 -0.010 0.000 0.961 121 D HN 0.303 nan 8.370 nan 0.000 0.470 122 K N 0.670 121.066 120.400 -0.007 0.000 2.062 122 K HA -0.018 4.302 4.320 -0.000 0.000 0.205 122 K C 2.004 178.600 176.600 -0.006 0.000 1.051 122 K CA 1.056 57.339 56.287 -0.006 0.000 0.941 122 K CB 0.004 32.501 32.500 -0.004 0.000 0.719 122 K HN -0.009 nan 8.250 nan 0.000 0.440 123 A N 0.887 123.705 122.820 -0.004 0.000 1.940 123 A HA -0.117 4.202 4.320 -0.000 0.000 0.219 123 A C 2.216 179.797 177.584 -0.005 0.000 1.176 123 A CA 1.698 53.733 52.037 -0.003 0.000 0.631 123 A CB -0.654 18.346 19.000 -0.000 0.000 0.814 123 A HN 0.187 nan 8.150 nan 0.000 0.446 124 V N -0.588 119.321 119.914 -0.009 0.000 2.358 124 V HA -0.204 3.915 4.120 -0.000 0.000 0.246 124 V C 2.729 178.812 176.094 -0.018 0.000 1.047 124 V CA 2.410 64.702 62.300 -0.015 0.000 1.035 124 V CB -1.151 30.659 31.823 -0.022 0.000 0.658 124 V HN 0.599 nan 8.190 nan 0.000 0.452 125 T N -0.050 114.493 114.554 -0.018 0.000 2.746 125 T HA -0.160 4.189 4.350 -0.000 0.000 0.267 125 T C 1.907 176.600 174.700 -0.013 0.000 1.039 125 T CA 1.716 63.805 62.100 -0.019 0.000 1.142 125 T CB -0.156 68.702 68.868 -0.016 0.000 0.866 125 T HN 0.285 nan 8.240 nan 0.000 0.444 126 V N 1.392 121.301 119.914 -0.008 0.000 2.453 126 V HA -0.053 4.067 4.120 -0.000 0.000 0.247 126 V C 2.829 178.921 176.094 -0.003 0.000 1.048 126 V CA 1.416 63.713 62.300 -0.005 0.000 1.049 126 V CB -1.082 30.739 31.823 -0.003 0.000 0.672 126 V HN 0.495 nan 8.190 nan 0.000 0.457 127 A N -0.105 122.712 122.820 -0.004 0.000 1.933 127 A HA -0.162 4.157 4.320 -0.000 0.000 0.218 127 A C 2.393 179.976 177.584 -0.002 0.000 1.175 127 A CA 2.092 54.128 52.037 -0.001 0.000 0.628 127 A CB -0.637 18.363 19.000 -0.000 0.000 0.814 127 A HN 0.331 nan 8.150 nan 0.000 0.444 128 V N 0.027 119.937 119.914 -0.008 0.000 2.307 128 V HA -0.268 3.851 4.120 -0.000 0.000 0.245 128 V C 2.390 178.480 176.094 -0.006 0.000 1.045 128 V CA 2.308 64.602 62.300 -0.010 0.000 1.024 128 V CB -0.876 30.934 31.823 -0.021 0.000 0.651 128 V HN 0.663 nan 8.190 nan 0.000 0.449 129 E N -0.084 120.113 120.200 -0.006 0.000 2.085 129 E HA -0.299 4.050 4.350 -0.000 0.000 0.194 129 E C 2.205 178.805 176.600 0.001 0.000 0.994 129 E CA 1.577 57.975 56.400 -0.003 0.000 0.801 129 E CB -0.137 29.561 29.700 -0.003 0.000 0.743 129 E HN 0.575 nan 8.360 nan 0.000 0.453 130 E N 0.618 120.819 120.200 0.002 0.000 2.152 130 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 130 E C 1.756 178.360 176.600 0.007 0.000 0.983 130 E CA 0.413 56.816 56.400 0.005 0.000 0.818 130 E CB -0.054 29.650 29.700 0.006 0.000 0.758 130 E HN 0.104 nan 8.360 nan 0.000 0.467 131 L N 0.812 122.039 121.223 0.007 0.000 2.093 131 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 131 L C 1.831 178.706 176.870 0.008 0.000 1.085 131 L CA 1.736 56.582 54.840 0.009 0.000 0.755 131 L CB -0.336 41.727 42.059 0.008 0.000 0.904 131 L HN 0.025 nan 8.230 nan 0.000 0.435 132 K N -1.000 119.403 120.400 0.005 0.000 2.097 132 K HA -0.099 4.220 4.320 -0.000 0.000 0.206 132 K C 1.999 178.602 176.600 0.007 0.000 1.049 132 K CA 1.252 57.542 56.287 0.005 0.000 0.933 132 K CB -0.256 32.245 32.500 0.003 0.000 0.717 132 K HN 0.405 nan 8.250 nan 0.000 0.442 133 A N 0.930 123.754 122.820 0.007 0.000 2.014 133 A HA -0.044 4.276 4.320 -0.000 0.000 0.218 133 A C 1.931 179.521 177.584 0.010 0.000 1.163 133 A CA 0.956 52.997 52.037 0.008 0.000 0.652 133 A CB -0.320 18.685 19.000 0.007 0.000 0.808 133 A HN 0.149 nan 8.150 nan 0.000 0.449 134 L N -0.593 120.637 121.223 0.012 0.000 2.418 134 L HA 0.043 4.383 4.340 -0.000 0.000 0.218 134 L C 1.257 178.136 176.870 0.015 0.000 1.125 134 L CA -0.027 54.823 54.840 0.016 0.000 0.835 134 L CB -0.286 41.784 42.059 0.019 0.000 0.953 134 L HN 0.272 nan 8.230 nan 0.000 0.454 135 S N 0.283 115.991 115.700 0.013 0.000 2.546 135 S HA 0.087 4.556 4.470 -0.000 0.000 0.290 135 S C -0.052 174.555 174.600 0.012 0.000 1.290 135 S CA -0.350 57.858 58.200 0.012 0.000 1.069 135 S CB 0.548 63.754 63.200 0.010 0.000 0.846 135 S HN -0.045 nan 8.310 nan 0.000 0.495 136 V N 8.953 128.875 119.914 0.012 0.000 2.383 136 V HA 0.332 4.451 4.120 -0.000 0.000 0.275 136 V C -1.970 174.130 176.094 0.009 0.000 1.036 136 V CA -1.856 60.450 62.300 0.011 0.000 0.889 136 V CB 1.226 33.056 31.823 0.013 0.000 0.985 136 V HN 0.738 nan 8.190 nan 0.000 0.459 137 P HA 0.105 nan 4.420 nan 0.000 0.269 137 P C -0.565 176.738 177.300 0.005 0.000 1.215 137 P CA -0.200 62.904 63.100 0.006 0.000 0.780 137 P CB 0.441 32.144 31.700 0.005 0.000 0.898 138 C N 2.406 121.708 119.300 0.003 0.000 3.164 138 C HA 0.461 4.921 4.460 -0.000 0.000 0.250 138 C C 1.115 176.105 174.990 0.001 0.000 1.151 138 C CA 0.131 59.150 59.018 0.003 0.000 1.449 138 C CB -1.383 26.358 27.740 0.002 0.000 1.825 138 C HN 0.537 nan 8.230 nan 0.000 0.478 139 S N 1.656 117.356 115.700 0.001 0.000 2.641 139 S HA 0.139 4.609 4.470 -0.000 0.000 0.239 139 S C 0.277 174.878 174.600 0.001 0.000 1.081 139 S CA 0.246 58.447 58.200 0.001 0.000 0.904 139 S CB 0.152 63.353 63.200 0.001 0.000 0.803 139 S HN 0.950 nan 8.310 nan 0.000 0.510 140 D N 0.736 121.137 120.400 0.001 0.000 2.388 140 D HA 0.361 5.000 4.640 -0.000 0.000 0.254 140 D C 0.998 177.299 176.300 0.001 0.000 1.111 140 D CA -0.174 53.827 54.000 0.001 0.000 0.993 140 D CB 0.617 41.418 40.800 0.002 0.000 1.118 140 D HN 0.069 nan 8.370 nan 0.000 0.502 141 S N -0.722 114.978 115.700 0.001 0.000 2.481 141 S HA -0.172 4.298 4.470 -0.000 0.000 0.231 141 S C 1.587 176.188 174.600 0.001 0.000 0.996 141 S CA 0.517 58.717 58.200 0.001 0.000 0.942 141 S CB -0.413 62.787 63.200 0.001 0.000 0.768 141 S HN 0.532 nan 8.310 nan 0.000 0.520 142 K N 1.647 122.048 120.400 0.002 0.000 2.002 142 K HA -0.023 4.297 4.320 -0.000 0.000 0.209 142 K C 2.357 178.958 176.600 0.003 0.000 1.048 142 K CA 1.265 57.553 56.287 0.002 0.000 0.930 142 K CB -0.664 31.837 32.500 0.003 0.000 0.714 142 K HN 0.442 nan 8.250 nan 0.000 0.438 143 A N 1.341 124.163 122.820 0.003 0.000 1.902 143 A HA -0.139 4.180 4.320 -0.000 0.000 0.217 143 A C 2.096 179.682 177.584 0.003 0.000 1.181 143 A CA 1.466 53.505 52.037 0.003 0.000 0.623 143 A CB -0.576 18.426 19.000 0.004 0.000 0.818 143 A HN 0.357 nan 8.150 nan 0.000 0.443 144 I N -0.254 120.317 120.570 0.002 0.000 2.264 144 I HA -0.298 3.872 4.170 -0.000 0.000 0.248 144 I C 2.892 179.011 176.117 0.003 0.000 1.111 144 I CA 1.115 62.416 61.300 0.001 0.000 1.382 144 I CB -0.217 37.783 38.000 -0.000 0.000 1.060 144 I HN 0.365 nan 8.210 nan 0.000 0.418 145 A N -0.278 122.544 122.820 0.003 0.000 1.929 145 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 145 A C 2.259 179.845 177.584 0.003 0.000 1.176 145 A CA 1.216 53.254 52.037 0.003 0.000 0.628 145 A CB -0.478 18.523 19.000 0.002 0.000 0.816 145 A HN 0.409 nan 8.150 nan 0.000 0.444 146 Q N -0.502 119.300 119.800 0.003 0.000 2.030 146 Q HA -0.139 4.201 4.340 -0.000 0.000 0.204 146 Q C 2.158 178.161 176.000 0.004 0.000 0.986 146 Q CA 1.940 57.746 55.803 0.003 0.000 0.843 146 Q CB -0.300 28.440 28.738 0.004 0.000 0.904 146 Q HN 0.462 nan 8.270 nan 0.000 0.420 147 V N 0.022 119.939 119.914 0.005 0.000 2.343 147 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 147 V C 2.168 178.268 176.094 0.009 0.000 1.051 147 V CA 1.970 64.275 62.300 0.007 0.000 1.036 147 V CB -1.109 30.718 31.823 0.007 0.000 0.654 147 V HN 0.582 nan 8.190 nan 0.000 0.451 148 G N -0.758 108.046 108.800 0.008 0.000 2.418 148 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 148 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 148 G C 1.699 176.603 174.900 0.008 0.000 1.158 148 G CA 1.523 46.629 45.100 0.010 0.000 0.771 148 G HN 0.462 nan 8.290 nan 0.000 0.545 149 T N 1.313 115.870 114.554 0.005 0.000 2.708 149 T HA -0.069 4.280 4.350 -0.000 0.000 0.266 149 T C 2.397 177.099 174.700 0.003 0.000 1.037 149 T CA 1.085 63.187 62.100 0.003 0.000 1.146 149 T CB -0.187 68.682 68.868 0.002 0.000 0.865 149 T HN 0.241 nan 8.240 nan 0.000 0.435 150 I N 1.420 121.992 120.570 0.003 0.000 2.226 150 I HA -0.163 4.007 4.170 -0.000 0.000 0.245 150 I C 2.408 178.527 176.117 0.003 0.000 1.100 150 I CA 1.079 62.380 61.300 0.001 0.000 1.374 150 I CB -0.280 37.721 38.000 0.001 0.000 1.057 150 I HN 0.198 nan 8.210 nan 0.000 0.413 151 S N 0.627 116.332 115.700 0.008 0.000 2.515 151 S HA 0.100 4.570 4.470 -0.000 0.000 0.231 151 S C 1.498 176.103 174.600 0.009 0.000 0.987 151 S CA 0.705 58.912 58.200 0.012 0.000 0.936 151 S CB -0.068 63.146 63.200 0.023 0.000 0.766 151 S HN 0.465 nan 8.310 nan 0.000 0.528 152 A N 1.647 124.471 122.820 0.007 0.000 2.708 152 A HA 0.492 4.812 4.320 -0.000 0.000 0.293 152 A C 0.622 178.206 177.584 0.000 0.000 1.303 152 A CA -0.515 51.525 52.037 0.004 0.000 0.949 152 A CB -0.706 18.297 19.000 0.006 0.000 1.121 152 A HN 0.319 nan 8.150 nan 0.000 0.542 153 N N -0.072 118.627 118.700 -0.002 0.000 2.740 153 N HA -0.226 4.514 4.740 -0.000 0.000 0.248 153 N C 0.192 175.699 175.510 -0.006 0.000 1.062 153 N CA 1.150 54.197 53.050 -0.005 0.000 0.704 153 N CB -1.838 36.646 38.487 -0.006 0.000 0.968 153 N HN 0.592 nan 8.380 nan 0.000 0.547 154 S N -1.749 113.949 115.700 -0.004 0.000 3.586 154 S HA -0.222 4.248 4.470 -0.000 0.000 0.309 154 S C -0.414 174.184 174.600 -0.003 0.000 1.195 154 S CA 0.737 58.935 58.200 -0.004 0.000 0.895 154 S CB -1.094 62.102 63.200 -0.007 0.000 0.983 154 S HN 0.719 nan 8.310 nan 0.000 0.563 155 D N 1.404 121.803 120.400 -0.002 0.000 2.441 155 D HA 0.280 4.920 4.640 -0.000 0.000 0.221 155 D C 1.088 177.388 176.300 0.000 0.000 1.156 155 D CA -0.281 53.718 54.000 -0.001 0.000 0.896 155 D CB 0.474 41.274 40.800 -0.000 0.000 1.028 155 D HN 0.458 nan 8.370 nan 0.000 0.509 156 E N 1.134 121.333 120.200 -0.000 0.000 2.204 156 E HA -0.130 4.220 4.350 -0.000 0.000 0.195 156 E C 1.388 177.988 176.600 0.001 0.000 0.990 156 E CA 0.909 57.309 56.400 0.000 0.000 0.821 156 E CB 0.307 30.007 29.700 -0.000 0.000 0.750 156 E HN 0.473 nan 8.360 nan 0.000 0.477 157 T N 0.810 115.365 114.554 0.001 0.000 2.652 157 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 157 T C 2.080 176.781 174.700 0.002 0.000 1.039 157 T CA 1.360 63.461 62.100 0.001 0.000 1.153 157 T CB -0.230 68.638 68.868 0.001 0.000 0.863 157 T HN 0.017 nan 8.240 nan 0.000 0.428 158 V N 1.247 121.162 119.914 0.003 0.000 2.515 158 V HA -0.064 4.056 4.120 -0.000 0.000 0.250 158 V C 2.799 178.896 176.094 0.005 0.000 1.058 158 V CA 1.774 64.076 62.300 0.004 0.000 1.064 158 V CB -1.337 30.489 31.823 0.005 0.000 0.675 158 V HN 0.604 nan 8.190 nan 0.000 0.461 159 G N -0.358 108.445 108.800 0.004 0.000 2.404 159 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.215 159 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.215 159 G C 1.640 176.542 174.900 0.003 0.000 1.174 159 G CA 0.954 46.056 45.100 0.004 0.000 0.780 159 G HN 0.462 nan 8.290 nan 0.000 0.537 160 K N 0.032 120.434 120.400 0.002 0.000 2.026 160 K HA 0.025 4.345 4.320 -0.000 0.000 0.208 160 K C 2.556 179.157 176.600 0.002 0.000 1.048 160 K CA 0.858 57.146 56.287 0.002 0.000 0.929 160 K CB -0.325 32.176 32.500 0.001 0.000 0.713 160 K HN 0.313 nan 8.250 nan 0.000 0.439 161 L N 0.888 122.112 121.223 0.002 0.000 1.990 161 L HA -0.264 4.076 4.340 -0.000 0.000 0.213 161 L C 2.502 179.374 176.870 0.003 0.000 1.072 161 L CA 1.563 56.405 54.840 0.002 0.000 0.755 161 L CB -0.409 41.652 42.059 0.003 0.000 0.889 161 L HN 0.271 nan 8.230 nan 0.000 0.432 162 I N -0.550 120.022 120.570 0.004 0.000 2.226 162 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 162 I C 2.732 178.850 176.117 0.002 0.000 1.100 162 I CA 1.171 62.473 61.300 0.004 0.000 1.374 162 I CB -0.434 37.569 38.000 0.005 0.000 1.057 162 I HN 0.220 nan 8.210 nan 0.000 0.413 163 A N 0.301 123.122 122.820 0.002 0.000 1.933 163 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 163 A C 2.227 179.811 177.584 0.000 0.000 1.175 163 A CA 1.688 53.726 52.037 0.001 0.000 0.628 163 A CB -0.525 18.476 19.000 0.001 0.000 0.814 163 A HN 0.452 nan 8.150 nan 0.000 0.444 164 E N -0.283 119.918 120.200 0.001 0.000 2.047 164 E HA -0.081 4.269 4.350 -0.000 0.000 0.191 164 E C 2.401 179.001 176.600 0.000 0.000 0.987 164 E CA 0.848 57.248 56.400 0.000 0.000 0.799 164 E CB -0.322 29.379 29.700 0.001 0.000 0.752 164 E HN 0.597 nan 8.360 nan 0.000 0.449 165 A N 1.370 124.191 122.820 0.000 0.000 1.892 165 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 165 A C 2.173 179.757 177.584 -0.001 0.000 1.188 165 A CA 1.755 53.792 52.037 -0.000 0.000 0.631 165 A CB -0.540 18.460 19.000 0.000 0.000 0.822 165 A HN 0.168 nan 8.150 nan 0.000 0.447 166 M N -1.425 118.174 119.600 -0.002 0.000 2.394 166 M HA -0.098 4.381 4.480 -0.000 0.000 0.264 166 M C 1.668 177.967 176.300 -0.002 0.000 1.073 166 M CA 1.563 56.861 55.300 -0.003 0.000 1.111 166 M CB -0.364 32.234 32.600 -0.004 0.000 1.401 166 M HN 0.470 nan 8.290 nan 0.000 0.448 167 D N 0.522 120.921 120.400 -0.001 0.000 2.183 167 D HA -0.108 4.532 4.640 -0.000 0.000 0.203 167 D C 2.033 178.333 176.300 -0.001 0.000 0.969 167 D CA 1.018 55.017 54.000 -0.001 0.000 0.842 167 D CB 0.346 41.145 40.800 -0.000 0.000 0.957 167 D HN 0.020 nan 8.370 nan 0.000 0.484 168 K N -0.155 120.245 120.400 -0.001 0.000 2.021 168 K HA -0.011 4.308 4.320 -0.000 0.000 0.205 168 K C 1.950 178.550 176.600 -0.000 0.000 1.047 168 K CA 1.184 57.471 56.287 -0.000 0.000 0.943 168 K CB -0.295 32.205 32.500 -0.000 0.000 0.725 168 K HN 0.267 nan 8.250 nan 0.000 0.439 169 V N -2.754 117.160 119.914 -0.000 0.000 3.578 169 V HA 0.392 4.511 4.120 -0.000 0.000 0.290 169 V C 0.518 176.611 176.094 -0.001 0.000 1.376 169 V CA 0.215 62.515 62.300 -0.000 0.000 1.083 169 V CB -0.339 31.484 31.823 0.000 0.000 0.911 169 V HN 0.364 nan 8.190 nan 0.000 0.433 170 G N 2.086 110.885 108.800 -0.002 0.000 2.692 170 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.686 170 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.686 170 G C 0.161 175.059 174.900 -0.004 0.000 1.243 170 G CA -0.097 45.001 45.100 -0.002 0.000 0.782 170 G HN 0.704 nan 8.290 nan 0.000 0.625 171 K N -0.207 120.190 120.400 -0.005 0.000 2.362 171 K HA 0.026 4.346 4.320 -0.000 0.000 0.200 171 K C 0.988 177.581 176.600 -0.011 0.000 1.046 171 K CA 1.605 57.887 56.287 -0.008 0.000 0.952 171 K CB 0.295 32.790 32.500 -0.007 0.000 0.753 171 K HN 0.479 nan 8.250 nan 0.000 0.466 172 E N 1.395 121.591 120.200 -0.008 0.000 2.476 172 E HA 0.093 4.443 4.350 -0.000 0.000 0.196 172 E C 0.682 177.278 176.600 -0.006 0.000 1.029 172 E CA 0.020 56.415 56.400 -0.008 0.000 0.896 172 E CB 0.864 30.561 29.700 -0.005 0.000 1.012 172 E HN 0.410 nan 8.360 nan 0.000 0.475 173 G N 0.775 109.571 108.800 -0.005 0.000 2.547 173 G HA2 0.334 4.294 3.960 -0.000 0.000 0.291 173 G HA3 0.334 4.294 3.960 -0.000 0.000 0.291 173 G C 0.016 174.914 174.900 -0.004 0.000 1.211 173 G CA -0.502 44.596 45.100 -0.002 0.000 0.950 173 G HN -0.052 nan 8.290 nan 0.000 0.504 174 V N 0.741 120.655 119.914 -0.001 0.000 2.488 174 V HA 0.331 4.451 4.120 -0.000 0.000 0.277 174 V C 0.181 176.273 176.094 -0.003 0.000 1.046 174 V CA 0.098 62.397 62.300 -0.003 0.000 0.986 174 V CB 0.546 32.370 31.823 0.001 0.000 0.989 174 V HN 0.418 nan 8.190 nan 0.000 0.475 175 I N 4.220 124.787 120.570 -0.005 0.000 2.466 175 I HA 0.522 4.692 4.170 -0.000 0.000 0.289 175 I C -0.031 176.086 176.117 0.001 0.000 1.026 175 I CA -0.177 61.122 61.300 -0.002 0.000 1.078 175 I CB 2.346 40.345 38.000 -0.002 0.000 1.249 175 I HN 0.566 nan 8.210 nan 0.000 0.429 176 T N 4.613 119.168 114.554 0.002 0.000 2.930 176 T HA 0.665 5.015 4.350 -0.000 0.000 0.290 176 T C -0.542 174.161 174.700 0.005 0.000 1.052 176 T CA -0.705 61.397 62.100 0.004 0.000 1.017 176 T CB 2.552 71.420 68.868 0.000 0.000 1.137 176 T HN 0.452 nan 8.240 nan 0.000 0.511 177 V N -0.903 119.015 119.914 0.007 0.000 2.656 177 V HA 0.824 4.943 4.120 -0.000 0.000 0.307 177 V C -1.021 175.075 176.094 0.003 0.000 1.051 177 V CA -0.783 61.520 62.300 0.006 0.000 0.893 177 V CB 1.766 33.594 31.823 0.009 0.000 0.999 177 V HN 0.931 nan 8.190 nan 0.000 0.426 178 E N 1.770 121.971 120.200 0.001 0.000 2.392 178 E HA 0.419 4.769 4.350 -0.000 0.000 0.269 178 E C -1.508 175.092 176.600 -0.001 0.000 0.924 178 E CA -1.087 55.312 56.400 -0.001 0.000 0.784 178 E CB 1.719 31.418 29.700 -0.003 0.000 1.292 178 E HN 0.801 nan 8.360 nan 0.000 0.447 179 D N 1.223 121.622 120.400 -0.002 0.000 2.525 179 D HA 0.088 4.727 4.640 -0.000 0.000 0.235 179 D C 0.258 176.557 176.300 -0.003 0.000 1.137 179 D CA 0.521 54.520 54.000 -0.002 0.000 0.868 179 D CB 0.601 41.399 40.800 -0.003 0.000 1.180 179 D HN 0.499 nan 8.370 nan 0.000 0.465 180 G N 0.185 108.984 108.800 -0.002 0.000 2.572 180 G HA2 0.272 4.231 3.960 -0.000 0.000 0.261 180 G HA3 0.272 4.231 3.960 -0.000 0.000 0.261 180 G C 1.116 176.014 174.900 -0.003 0.000 1.197 180 G CA -0.023 45.075 45.100 -0.002 0.000 0.870 180 G HN 0.475 nan 8.290 nan 0.000 0.548 181 T N -2.350 112.202 114.554 -0.003 0.000 3.054 181 T HA 0.414 4.763 4.350 -0.000 0.000 0.259 181 T C 1.196 175.894 174.700 -0.003 0.000 1.092 181 T CA 1.106 63.203 62.100 -0.004 0.000 1.121 181 T CB 0.194 69.060 68.868 -0.004 0.000 0.912 181 T HN 1.022 nan 8.240 nan 0.000 0.489 182 G N 0.326 109.124 108.800 -0.003 0.000 3.000 182 G HA2 0.467 4.427 3.960 -0.000 0.000 0.170 182 G HA3 0.467 4.427 3.960 -0.000 0.000 0.170 182 G C -0.034 174.865 174.900 -0.002 0.000 1.160 182 G CA 0.056 45.155 45.100 -0.002 0.000 0.945 182 G HN 0.121 nan 8.290 nan 0.000 0.593 183 L N 0.105 121.327 121.223 -0.002 0.000 2.202 183 L HA 0.376 4.715 4.340 -0.000 0.000 0.205 183 L C 0.832 177.701 176.870 -0.001 0.000 1.083 183 L CA 1.119 55.959 54.840 -0.002 0.000 0.790 183 L CB -0.446 41.612 42.059 -0.002 0.000 0.942 183 L HN 0.489 nan 8.230 nan 0.000 0.452 184 Q N 0.659 120.458 119.800 -0.001 0.000 2.227 184 Q HA 0.154 4.494 4.340 -0.000 0.000 0.245 184 Q C -0.772 175.228 176.000 -0.001 0.000 0.926 184 Q CA -0.808 54.995 55.803 -0.001 0.000 0.895 184 Q CB 1.230 29.967 28.738 -0.001 0.000 1.230 184 Q HN 0.165 nan 8.270 nan 0.000 0.450 185 D N 1.845 122.244 120.400 -0.001 0.000 2.382 185 D HA 0.083 4.723 4.640 -0.000 0.000 0.240 185 D C -0.536 175.764 176.300 -0.001 0.000 1.146 185 D CA 0.465 54.465 54.000 -0.000 0.000 0.897 185 D CB 0.771 41.571 40.800 0.000 0.000 1.197 185 D HN 0.363 nan 8.370 nan 0.000 0.432 186 E N 0.073 120.273 120.200 -0.001 0.000 2.293 186 E HA 0.507 4.857 4.350 -0.000 0.000 0.270 186 E C -1.072 175.528 176.600 -0.000 0.000 0.879 186 E CA -0.926 55.474 56.400 -0.001 0.000 0.756 186 E CB 2.465 32.165 29.700 -0.001 0.000 1.208 186 E HN 0.081 nan 8.360 nan 0.000 0.428 187 L N 3.628 124.851 121.223 -0.000 0.000 2.406 187 L HA 0.439 4.778 4.340 -0.000 0.000 0.270 187 L C -1.795 175.075 176.870 -0.000 0.000 0.982 187 L CA -0.320 54.520 54.840 -0.000 0.000 0.843 187 L CB 1.052 43.111 42.059 0.000 0.000 1.225 187 L HN 0.494 nan 8.230 nan 0.000 0.412 188 D N 3.885 124.284 120.400 -0.001 0.000 2.547 188 D HA 0.480 5.120 4.640 -0.000 0.000 0.231 188 D C -1.024 175.276 176.300 -0.000 0.000 1.099 188 D CA -0.552 53.447 54.000 -0.001 0.000 0.901 188 D CB 2.245 43.044 40.800 -0.001 0.000 1.478 188 D HN 0.220 nan 8.370 nan 0.000 0.471 189 V N 0.713 120.627 119.914 0.000 0.000 2.370 189 V HA 0.443 4.562 4.120 -0.000 0.000 0.283 189 V C 0.538 176.633 176.094 0.001 0.000 1.023 189 V CA -0.729 61.571 62.300 0.001 0.000 0.857 189 V CB 1.071 32.894 31.823 0.001 0.000 0.985 189 V HN 0.604 nan 8.190 nan 0.000 0.443 190 V N 1.753 121.668 119.914 0.002 0.000 3.096 190 V HA 0.701 4.821 4.120 -0.000 0.000 0.319 190 V C -0.067 176.030 176.094 0.005 0.000 1.103 190 V CA -0.968 61.333 62.300 0.002 0.000 1.016 190 V CB 1.972 33.795 31.823 0.000 0.000 1.090 190 V HN 0.665 nan 8.190 nan 0.000 0.449 191 E N 1.370 121.573 120.200 0.005 0.000 2.366 191 E HA 0.608 4.958 4.350 -0.000 0.000 0.266 191 E C 0.295 176.903 176.600 0.014 0.000 1.015 191 E CA 1.075 57.481 56.400 0.009 0.000 0.906 191 E CB 0.805 30.509 29.700 0.008 0.000 0.979 191 E HN 1.271 nan 8.360 nan 0.000 0.443 192 G N 1.285 110.097 108.800 0.020 0.000 2.320 192 G HA2 0.455 4.414 3.960 -0.000 0.000 0.296 192 G HA3 0.455 4.414 3.960 -0.000 0.000 0.296 192 G C -1.311 173.612 174.900 0.040 0.000 1.306 192 G CA -0.737 44.381 45.100 0.029 0.000 0.836 192 G HN 0.394 nan 8.290 nan 0.000 0.517 193 M N -0.110 119.524 119.600 0.057 0.000 2.562 193 M HA 0.514 4.993 4.480 -0.000 0.000 0.281 193 M C -2.018 174.340 176.300 0.096 0.000 1.195 193 M CA -0.617 54.734 55.300 0.085 0.000 0.888 193 M CB 2.529 35.200 32.600 0.119 0.000 1.731 193 M HN 0.771 nan 8.290 nan 0.000 0.493 194 Q N 3.158 123.014 119.800 0.094 0.000 2.356 194 Q HA 0.723 5.063 4.340 -0.000 0.000 0.270 194 Q C -2.092 173.986 176.000 0.130 0.000 1.058 194 Q CA -0.648 55.174 55.803 0.033 0.000 0.802 194 Q CB 2.064 30.791 28.738 -0.018 0.000 1.303 194 Q HN 0.557 nan 8.270 nan 0.000 0.444 195 F N -0.129 119.823 119.950 0.003 0.000 2.603 195 F HA 0.511 5.038 4.527 -0.001 0.000 0.317 195 F C -0.475 175.327 175.800 0.004 0.000 1.066 195 F CA -1.194 56.809 58.000 0.005 0.000 0.941 195 F CB 1.150 40.154 39.000 0.007 0.000 1.291 195 F HN 0.338 nan 8.300 nan 0.000 0.472 196 D N 2.913 123.426 120.400 0.188 0.000 2.885 196 D HA 0.140 4.780 4.640 -0.000 0.000 0.234 196 D C -0.297 176.059 176.300 0.093 0.000 1.129 196 D CA 0.335 54.382 54.000 0.078 0.000 0.991 196 D CB -0.129 40.721 40.800 0.084 0.000 1.137 196 D HN 0.283 nan 8.370 nan 0.000 0.459 197 R N 0.091 120.600 120.500 0.015 0.000 2.564 197 R HA 0.506 4.845 4.340 -0.000 0.000 0.284 197 R C 0.280 176.516 176.300 -0.106 0.000 1.031 197 R CA -0.689 55.434 56.100 0.038 0.000 0.904 197 R CB 2.143 32.597 30.300 0.258 0.000 1.199 197 R HN 0.157 nan 8.270 nan 0.000 0.443 198 G N 1.052 109.776 108.800 -0.128 0.000 2.642 198 G HA2 0.446 4.405 3.960 -0.000 0.000 0.291 198 G HA3 0.446 4.405 3.960 -0.000 0.000 0.291 198 G C -0.616 174.198 174.900 -0.142 0.000 1.345 198 G CA -0.540 44.408 45.100 -0.252 0.000 1.043 198 G HN 0.445 nan 8.290 nan 0.000 0.528 199 Y N -1.366 118.977 120.300 0.072 0.000 2.426 199 Y HA 0.386 4.936 4.550 -0.000 0.000 0.344 199 Y C 1.213 177.219 175.900 0.177 0.000 1.256 199 Y CA -0.917 57.284 58.100 0.168 0.000 1.451 199 Y CB 0.476 39.080 38.460 0.238 0.000 1.342 199 Y HN 0.164 nan 8.280 nan 0.000 0.600 200 L N 1.415 122.942 121.223 0.507 0.000 2.509 200 L HA 0.125 4.465 4.340 -0.000 0.000 0.222 200 L C 0.484 177.511 176.870 0.261 0.000 1.123 200 L CA 0.673 55.719 54.840 0.344 0.000 0.856 200 L CB -0.143 42.109 42.059 0.322 0.000 0.985 200 L HN 0.824 nan 8.230 nan 0.000 0.456 201 S N -2.616 113.212 115.700 0.213 0.000 2.541 201 S HA 0.427 4.896 4.470 -0.000 0.000 0.271 201 S C -2.451 171.988 174.600 -0.268 0.000 1.133 201 S CA -1.160 56.990 58.200 -0.084 0.000 0.876 201 S CB 1.910 64.931 63.200 -0.297 0.000 1.105 201 S HN -0.271 nan 8.310 nan 0.000 0.470 202 P HA -0.006 nan 4.420 nan 0.000 0.225 202 P C 0.523 177.443 177.300 -0.633 0.000 1.148 202 P CA 0.848 63.543 63.100 -0.674 0.000 0.779 202 P CB -0.237 31.176 31.700 -0.479 0.000 0.780 203 Y N -2.110 117.946 120.300 -0.406 0.000 2.421 203 Y HA -0.089 4.461 4.550 -0.000 0.000 0.292 203 Y C 1.868 177.609 175.900 -0.264 0.000 1.136 203 Y CA 0.702 58.600 58.100 -0.336 0.000 1.255 203 Y CB -1.335 36.916 38.460 -0.349 0.000 0.991 203 Y HN -0.068 nan 8.280 nan 0.000 0.552 204 F N -0.157 119.760 119.950 -0.054 0.000 2.451 204 F HA -0.038 4.489 4.527 -0.000 0.000 0.299 204 F C 1.054 176.788 175.800 -0.109 0.000 1.101 204 F CA -0.392 57.575 58.000 -0.056 0.000 1.436 204 F CB -1.080 37.899 39.000 -0.034 0.000 1.074 204 F HN -0.152 nan 8.300 nan 0.000 0.553 205 I N 2.601 123.126 120.570 -0.075 0.000 2.845 205 I HA -0.201 3.969 4.170 -0.000 0.000 0.290 205 I C 0.943 177.054 176.117 -0.010 0.000 1.202 205 I CA 0.375 61.614 61.300 -0.101 0.000 1.406 205 I CB 0.092 37.964 38.000 -0.215 0.000 1.383 205 I HN 0.186 nan 8.210 nan 0.000 0.549 206 N N 5.419 124.127 118.700 0.013 0.000 2.220 206 N HA 0.030 4.769 4.740 -0.000 0.000 0.195 206 N C -0.027 175.488 175.510 0.009 0.000 1.123 206 N CA 0.006 53.068 53.050 0.020 0.000 0.874 206 N CB 0.408 38.913 38.487 0.030 0.000 0.995 206 N HN 0.427 nan 8.380 nan 0.000 0.498 207 K N 1.230 121.632 120.400 0.003 0.000 2.679 207 K HA 0.276 4.596 4.320 -0.000 0.000 0.188 207 K C -2.059 174.539 176.600 -0.003 0.000 1.055 207 K CA -1.727 54.561 56.287 0.002 0.000 1.006 207 K CB 1.914 34.419 32.500 0.007 0.000 1.317 207 K HN -0.016 nan 8.250 nan 0.000 0.584 208 P HA -0.187 nan 4.420 nan 0.000 0.222 208 P C 0.334 177.628 177.300 -0.010 0.000 1.142 208 P CA 1.235 64.326 63.100 -0.015 0.000 0.788 208 P CB 0.441 32.133 31.700 -0.014 0.000 0.767 209 E N -0.564 119.632 120.200 -0.006 0.000 2.106 209 E HA -0.085 4.264 4.350 -0.000 0.000 0.192 209 E C 1.669 178.264 176.600 -0.008 0.000 0.984 209 E CA 1.524 57.920 56.400 -0.008 0.000 0.806 209 E CB -1.087 28.609 29.700 -0.006 0.000 0.750 209 E HN 0.223 nan 8.360 nan 0.000 0.458 210 T N -1.045 113.509 114.554 -0.000 0.000 3.086 210 T HA 0.238 4.588 4.350 -0.000 0.000 0.250 210 T C 1.086 175.799 174.700 0.022 0.000 1.074 210 T CA 0.390 62.494 62.100 0.006 0.000 0.988 210 T CB 0.468 69.344 68.868 0.013 0.000 0.988 210 T HN 0.366 nan 8.240 nan 0.000 0.530 211 G N 1.764 110.575 108.800 0.017 0.000 2.249 211 G HA2 -0.039 3.920 3.960 -0.000 0.000 0.273 211 G HA3 -0.039 3.920 3.960 -0.000 0.000 0.273 211 G C 0.101 175.054 174.900 0.087 0.000 1.036 211 G CA 0.155 45.275 45.100 0.033 0.000 0.824 211 G HN 0.893 nan 8.290 nan 0.000 0.504 212 A N -1.359 121.498 122.820 0.061 0.000 2.386 212 A HA 0.914 5.233 4.320 -0.000 0.000 0.308 212 A C -0.215 177.405 177.584 0.061 0.000 1.128 212 A CA -0.352 51.744 52.037 0.099 0.000 0.789 212 A CB 2.123 21.166 19.000 0.071 0.000 1.325 212 A HN 1.160 nan 8.150 nan 0.000 0.437 213 V N 1.149 121.121 119.914 0.096 0.000 2.398 213 V HA 0.497 4.616 4.120 -0.000 0.000 0.286 213 V C -0.064 176.056 176.094 0.043 0.000 1.026 213 V CA -0.341 62.000 62.300 0.068 0.000 0.868 213 V CB 1.181 33.067 31.823 0.104 0.000 0.982 213 V HN 0.918 nan 8.190 nan 0.000 0.443 214 E N 4.361 124.575 120.200 0.024 0.000 2.234 214 E HA 0.705 5.055 4.350 -0.000 0.000 0.266 214 E C -1.760 174.840 176.600 0.000 0.000 0.877 214 E CA -0.614 55.792 56.400 0.010 0.000 0.758 214 E CB 1.937 31.642 29.700 0.008 0.000 1.170 214 E HN 0.596 nan 8.360 nan 0.000 0.415 215 L N 2.928 124.145 121.223 -0.010 0.000 2.401 215 L HA 0.503 4.843 4.340 -0.000 0.000 0.266 215 L C -0.584 176.269 176.870 -0.029 0.000 0.991 215 L CA -0.796 54.032 54.840 -0.020 0.000 0.818 215 L CB 2.198 44.241 42.059 -0.026 0.000 1.321 215 L HN 0.464 nan 8.230 nan 0.000 0.413 216 E N 1.118 121.296 120.200 -0.037 0.000 2.158 216 E HA 0.339 4.689 4.350 -0.000 0.000 0.271 216 E C -0.461 176.092 176.600 -0.079 0.000 0.911 216 E CA -0.611 55.760 56.400 -0.048 0.000 0.767 216 E CB 1.724 31.402 29.700 -0.037 0.000 1.120 216 E HN 0.600 nan 8.360 nan 0.000 0.405 217 S N 2.014 117.657 115.700 -0.096 0.000 3.550 217 S HA -0.127 4.343 4.470 -0.000 0.000 0.372 217 S C -2.210 172.244 174.600 -0.244 0.000 0.966 217 S CA 0.286 58.392 58.200 -0.156 0.000 1.229 217 S CB -1.377 61.731 63.200 -0.153 0.000 0.917 217 S HN 0.464 nan 8.310 nan 0.000 0.496 218 P HA 0.535 nan 4.420 nan 0.000 0.282 218 P C -0.039 177.116 177.300 -0.241 0.000 1.259 218 P CA -0.696 62.294 63.100 -0.183 0.000 0.826 218 P CB 0.502 32.164 31.700 -0.064 0.000 1.064 219 F N 0.548 120.495 119.950 -0.004 0.000 2.389 219 F HA 0.358 4.885 4.527 -0.001 0.000 0.337 219 F C 0.947 176.746 175.800 -0.002 0.000 1.112 219 F CA -0.043 57.956 58.000 -0.002 0.000 1.192 219 F CB 0.321 39.319 39.000 -0.004 0.000 1.185 219 F HN 0.046 nan 8.300 nan 0.000 0.552 220 I N 4.247 124.951 120.570 0.224 0.000 2.411 220 I HA 0.216 4.386 4.170 -0.000 0.000 0.284 220 I C -1.071 175.105 176.117 0.097 0.000 1.012 220 I CA -0.809 60.566 61.300 0.124 0.000 1.119 220 I CB 1.502 39.558 38.000 0.093 0.000 1.261 220 I HN 0.277 nan 8.210 nan 0.000 0.448 221 L N 8.360 129.624 121.223 0.069 0.000 2.313 221 L HA 0.426 4.766 4.340 -0.000 0.000 0.282 221 L C -0.825 176.063 176.870 0.029 0.000 1.092 221 L CA 0.199 55.062 54.840 0.037 0.000 0.831 221 L CB 0.550 42.623 42.059 0.023 0.000 1.159 221 L HN 0.469 nan 8.230 nan 0.000 0.442 222 L N 6.801 128.034 121.223 0.017 0.000 2.335 222 L HA 0.638 4.978 4.340 -0.000 0.000 0.268 222 L C 0.025 176.894 176.870 -0.001 0.000 1.037 222 L CA -0.324 54.519 54.840 0.005 0.000 0.895 222 L CB 0.890 42.947 42.059 -0.004 0.000 1.266 222 L HN 0.781 nan 8.230 nan 0.000 0.439 223 A N 1.162 123.984 122.820 0.003 0.000 2.271 223 A HA 0.406 4.726 4.320 -0.000 0.000 0.317 223 A C -0.299 177.286 177.584 0.001 0.000 1.245 223 A CA -0.452 51.587 52.037 0.003 0.000 0.857 223 A CB 0.703 19.709 19.000 0.010 0.000 1.175 223 A HN 0.623 nan 8.150 nan 0.000 0.512 224 D N 2.260 122.658 120.400 -0.003 0.000 2.943 224 D HA 0.377 5.017 4.640 -0.000 0.000 0.249 224 D C -0.010 176.292 176.300 0.004 0.000 1.231 224 D CA 0.112 54.110 54.000 -0.004 0.000 0.979 224 D CB -0.568 40.225 40.800 -0.011 0.000 1.053 224 D HN 0.641 nan 8.370 nan 0.000 0.504 225 K N -1.055 119.352 120.400 0.012 0.000 2.809 225 K HA 0.317 4.637 4.320 -0.000 0.000 0.293 225 K C -1.248 175.366 176.600 0.025 0.000 1.061 225 K CA -1.167 55.130 56.287 0.017 0.000 0.837 225 K CB 0.682 33.190 32.500 0.014 0.000 1.524 225 K HN -0.198 nan 8.250 nan 0.000 0.370 226 K N 1.085 121.502 120.400 0.028 0.000 2.234 226 K HA 0.377 4.697 4.320 -0.000 0.000 0.282 226 K C -0.601 176.019 176.600 0.032 0.000 1.039 226 K CA -0.422 55.886 56.287 0.034 0.000 0.928 226 K CB 0.735 33.256 32.500 0.034 0.000 1.039 226 K HN 0.370 nan 8.250 nan 0.000 0.470 227 I N 2.589 123.182 120.570 0.039 0.000 2.330 227 I HA 0.049 4.218 4.170 -0.000 0.000 0.286 227 I C 0.555 176.696 176.117 0.041 0.000 1.025 227 I CA 0.030 61.353 61.300 0.038 0.000 1.197 227 I CB 1.533 39.558 38.000 0.041 0.000 1.358 227 I HN 0.672 nan 8.210 nan 0.000 0.467 228 S N 3.557 119.277 115.700 0.034 0.000 2.566 228 S HA 0.177 4.646 4.470 -0.000 0.000 0.234 228 S C 0.719 175.337 174.600 0.030 0.000 1.075 228 S CA 0.008 58.228 58.200 0.033 0.000 0.926 228 S CB 0.211 63.428 63.200 0.027 0.000 0.811 228 S HN 0.589 nan 8.310 nan 0.000 0.518 229 N N 1.977 120.692 118.700 0.025 0.000 2.455 229 N HA 0.264 5.003 4.740 -0.000 0.000 0.280 229 N C 0.581 176.105 175.510 0.023 0.000 1.055 229 N CA -0.112 52.951 53.050 0.022 0.000 0.961 229 N CB 1.573 40.070 38.487 0.016 0.000 1.121 229 N HN 0.130 nan 8.380 nan 0.000 0.476 230 I N 2.649 123.233 120.570 0.023 0.000 2.315 230 I HA -0.236 3.934 4.170 -0.000 0.000 0.248 230 I C 2.072 178.199 176.117 0.016 0.000 1.117 230 I CA 1.091 62.405 61.300 0.023 0.000 1.404 230 I CB 0.151 38.165 38.000 0.024 0.000 1.071 230 I HN 0.493 nan 8.210 nan 0.000 0.419 231 R N 0.830 121.337 120.500 0.013 0.000 2.159 231 R HA -0.287 4.052 4.340 -0.000 0.000 0.249 231 R C 2.008 178.311 176.300 0.006 0.000 1.136 231 R CA 2.615 58.720 56.100 0.008 0.000 0.951 231 R CB -0.585 29.720 30.300 0.007 0.000 0.876 231 R HN 0.575 nan 8.270 nan 0.000 0.440 232 E N -0.273 119.932 120.200 0.008 0.000 2.085 232 E HA -0.211 4.138 4.350 -0.000 0.000 0.194 232 E C 2.044 178.646 176.600 0.003 0.000 0.994 232 E CA 1.250 57.653 56.400 0.005 0.000 0.801 232 E CB -0.094 29.611 29.700 0.008 0.000 0.743 232 E HN 0.280 nan 8.360 nan 0.000 0.453 233 M N 0.395 120.000 119.600 0.008 0.000 2.200 233 M HA -0.044 4.436 4.480 -0.000 0.000 0.265 233 M C 2.373 178.674 176.300 0.001 0.000 1.066 233 M CA 1.026 56.330 55.300 0.006 0.000 1.127 233 M CB -0.845 31.765 32.600 0.016 0.000 1.379 233 M HN 0.148 nan 8.290 nan 0.000 0.420 234 L N 0.549 121.774 121.223 0.003 0.000 2.011 234 L HA -0.272 4.067 4.340 -0.000 0.000 0.225 234 L C -0.250 176.615 176.870 -0.008 0.000 1.084 234 L CA 2.103 56.944 54.840 0.000 0.000 0.791 234 L CB -2.573 39.487 42.059 0.001 0.000 0.898 234 L HN 0.197 nan 8.230 nan 0.000 0.440 235 P HA -0.118 nan 4.420 nan 0.000 0.217 235 P C 1.860 179.140 177.300 -0.033 0.000 1.150 235 P CA 1.442 64.529 63.100 -0.021 0.000 0.832 235 P CB 0.020 31.707 31.700 -0.020 0.000 0.787 236 V N 0.232 120.125 119.914 -0.034 0.000 2.379 236 V HA -0.172 3.947 4.120 -0.000 0.000 0.245 236 V C 2.842 178.907 176.094 -0.049 0.000 1.044 236 V CA 1.293 63.560 62.300 -0.054 0.000 1.036 236 V CB -1.197 30.598 31.823 -0.047 0.000 0.664 236 V HN -0.011 nan 8.190 nan 0.000 0.453 237 L N -0.129 121.081 121.223 -0.022 0.000 2.042 237 L HA -0.228 4.111 4.340 -0.000 0.000 0.210 237 L C 2.596 179.462 176.870 -0.007 0.000 1.076 237 L CA 1.882 56.718 54.840 -0.006 0.000 0.749 237 L CB -0.608 41.455 42.059 0.006 0.000 0.893 237 L HN 0.408 nan 8.230 nan 0.000 0.432 238 E N -0.000 120.192 120.200 -0.013 0.000 2.106 238 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 238 E C 2.303 178.891 176.600 -0.020 0.000 0.984 238 E CA 1.001 57.395 56.400 -0.010 0.000 0.806 238 E CB -0.183 29.511 29.700 -0.010 0.000 0.750 238 E HN 0.484 nan 8.360 nan 0.000 0.458 239 A N 0.991 123.784 122.820 -0.045 0.000 1.933 239 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 239 A C 2.460 179.991 177.584 -0.088 0.000 1.175 239 A CA 1.171 53.163 52.037 -0.075 0.000 0.628 239 A CB -0.522 18.410 19.000 -0.113 0.000 0.814 239 A HN 0.121 nan 8.150 nan 0.000 0.444 240 V N -0.360 119.509 119.914 -0.074 0.000 2.379 240 V HA -0.160 3.959 4.120 -0.000 0.000 0.245 240 V C 3.029 179.167 176.094 0.072 0.000 1.044 240 V CA 1.571 63.869 62.300 -0.004 0.000 1.036 240 V CB -1.241 30.607 31.823 0.041 0.000 0.664 240 V HN 0.600 nan 8.190 nan 0.000 0.453 241 A N -0.154 122.690 122.820 0.039 0.000 1.917 241 A HA -0.312 4.007 4.320 -0.000 0.000 0.219 241 A C 2.321 179.930 177.584 0.042 0.000 1.182 241 A CA 2.340 54.401 52.037 0.040 0.000 0.633 241 A CB -0.519 18.495 19.000 0.023 0.000 0.819 241 A HN 0.514 nan 8.150 nan 0.000 0.448 242 K N -0.807 119.611 120.400 0.030 0.000 2.057 242 K HA -0.068 4.252 4.320 -0.000 0.000 0.207 242 K C 2.070 178.702 176.600 0.054 0.000 1.049 242 K CA 1.125 57.430 56.287 0.030 0.000 0.931 242 K CB -0.273 32.234 32.500 0.012 0.000 0.714 242 K HN 0.458 nan 8.250 nan 0.000 0.440 243 A N 0.260 123.135 122.820 0.091 0.000 2.209 243 A HA 0.089 4.409 4.320 -0.000 0.000 0.212 243 A C 1.298 178.959 177.584 0.128 0.000 1.158 243 A CA 0.973 53.099 52.037 0.148 0.000 0.742 243 A CB -0.473 18.714 19.000 0.311 0.000 0.790 243 A HN 0.459 nan 8.150 nan 0.000 0.472 244 G N -0.607 108.252 108.800 0.099 0.000 2.225 244 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.267 244 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.267 244 G C 0.111 175.046 174.900 0.058 0.000 1.024 244 G CA 0.928 46.067 45.100 0.065 0.000 0.784 244 G HN 0.625 nan 8.290 nan 0.000 0.507 245 K N 0.295 120.755 120.400 0.100 0.000 2.221 245 K HA 0.612 4.931 4.320 -0.000 0.000 0.243 245 K C -2.302 174.341 176.600 0.072 0.000 0.968 245 K CA -2.049 54.259 56.287 0.034 0.000 0.846 245 K CB 2.346 34.777 32.500 -0.115 0.000 1.141 245 K HN 0.047 nan 8.250 nan 0.000 0.434 246 P HA 0.204 nan 4.420 nan 0.000 0.278 246 P C -1.324 176.014 177.300 0.063 0.000 1.258 246 P CA -0.613 62.505 63.100 0.030 0.000 0.811 246 P CB 0.701 32.397 31.700 -0.007 0.000 1.063 247 L N 1.921 123.176 121.223 0.053 0.000 2.356 247 L HA 0.497 4.837 4.340 -0.000 0.000 0.277 247 L C -1.270 175.601 176.870 0.002 0.000 0.996 247 L CA -0.988 53.895 54.840 0.072 0.000 0.822 247 L CB 1.435 43.542 42.059 0.079 0.000 1.256 247 L HN 0.153 nan 8.230 nan 0.000 0.413 248 L N 6.296 127.531 121.223 0.020 0.000 2.264 248 L HA 0.550 4.889 4.340 -0.000 0.000 0.289 248 L C -0.906 175.972 176.870 0.013 0.000 1.044 248 L CA -0.112 54.724 54.840 -0.008 0.000 0.807 248 L CB 0.801 42.872 42.059 0.020 0.000 1.192 248 L HN 0.427 nan 8.230 nan 0.000 0.425 249 I N 7.174 127.734 120.570 -0.016 0.000 2.312 249 I HA 0.236 4.406 4.170 -0.000 0.000 0.291 249 I C 0.061 176.204 176.117 0.043 0.000 1.031 249 I CA -0.124 61.183 61.300 0.012 0.000 1.293 249 I CB 0.673 38.674 38.000 0.002 0.000 1.403 249 I HN 0.541 nan 8.210 nan 0.000 0.484 250 I N 6.255 126.858 120.570 0.055 0.000 2.388 250 I HA 0.469 4.639 4.170 -0.000 0.000 0.281 250 I C 0.416 176.555 176.117 0.036 0.000 1.046 250 I CA -0.226 61.114 61.300 0.068 0.000 1.187 250 I CB 0.977 39.015 38.000 0.064 0.000 1.351 250 I HN 0.628 nan 8.210 nan 0.000 0.472 251 A N 4.415 127.264 122.820 0.047 0.000 2.346 251 A HA 0.411 4.731 4.320 -0.000 0.000 0.313 251 A C 1.067 178.675 177.584 0.039 0.000 1.140 251 A CA -0.538 51.521 52.037 0.036 0.000 0.826 251 A CB 1.267 20.293 19.000 0.043 0.000 1.332 251 A HN 0.723 nan 8.150 nan 0.000 0.457 252 E N -0.673 119.546 120.200 0.032 0.000 2.118 252 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 252 E C -0.380 176.253 176.600 0.055 0.000 0.992 252 E CA 1.712 58.136 56.400 0.039 0.000 0.804 252 E CB 0.130 29.851 29.700 0.035 0.000 0.741 252 E HN 0.639 nan 8.360 nan 0.000 0.458 253 D N -2.222 118.212 120.400 0.057 0.000 2.728 253 D HA 0.160 4.800 4.640 -0.000 0.000 0.249 253 D C -1.942 174.401 176.300 0.071 0.000 1.225 253 D CA -0.526 53.514 54.000 0.068 0.000 0.748 253 D CB 1.955 42.792 40.800 0.061 0.000 1.326 253 D HN -0.146 nan 8.370 nan 0.000 0.426 254 V N 2.424 122.391 119.914 0.089 0.000 2.349 254 V HA 0.448 4.568 4.120 -0.000 0.000 0.284 254 V C 0.041 176.191 176.094 0.094 0.000 1.014 254 V CA -0.634 61.722 62.300 0.095 0.000 0.826 254 V CB 1.269 33.166 31.823 0.123 0.000 1.009 254 V HN 0.423 nan 8.190 nan 0.000 0.431 255 E N 2.428 122.671 120.200 0.073 0.000 2.250 255 E HA 0.566 4.916 4.350 -0.000 0.000 0.265 255 E C 1.336 177.971 176.600 0.059 0.000 1.033 255 E CA 0.042 56.479 56.400 0.062 0.000 0.888 255 E CB 1.480 31.208 29.700 0.047 0.000 1.151 255 E HN 0.705 nan 8.360 nan 0.000 0.412 256 G N 1.690 110.520 108.800 0.050 0.000 3.465 256 G HA2 -0.479 3.481 3.960 -0.000 0.000 0.274 256 G HA3 -0.479 3.481 3.960 -0.000 0.000 0.274 256 G C 1.258 176.182 174.900 0.040 0.000 0.930 256 G CA 1.365 46.489 45.100 0.041 0.000 0.808 256 G HN 0.689 nan 8.290 nan 0.000 1.233 257 E N 1.051 121.272 120.200 0.034 0.000 2.048 257 E HA -0.224 4.126 4.350 -0.000 0.000 0.202 257 E C 3.041 179.665 176.600 0.040 0.000 1.021 257 E CA 2.227 58.645 56.400 0.030 0.000 0.825 257 E CB -0.748 28.967 29.700 0.025 0.000 0.756 257 E HN 0.562 nan 8.360 nan 0.000 0.454 258 A N 0.965 123.814 122.820 0.048 0.000 1.877 258 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 258 A C 2.293 179.930 177.584 0.087 0.000 1.186 258 A CA 1.547 53.620 52.037 0.060 0.000 0.620 258 A CB -0.764 18.271 19.000 0.059 0.000 0.822 258 A HN 0.330 nan 8.150 nan 0.000 0.443 259 L N -0.122 121.161 121.223 0.100 0.000 1.989 259 L HA -0.109 4.231 4.340 -0.000 0.000 0.211 259 L C 2.775 179.707 176.870 0.103 0.000 1.071 259 L CA 2.348 57.272 54.840 0.140 0.000 0.749 259 L CB -0.913 41.225 42.059 0.130 0.000 0.890 259 L HN 0.373 nan 8.230 nan 0.000 0.431 260 A N -1.607 121.248 122.820 0.058 0.000 1.927 260 A HA -0.301 4.019 4.320 -0.000 0.000 0.220 260 A C 2.285 179.880 177.584 0.018 0.000 1.185 260 A CA 2.742 54.792 52.037 0.022 0.000 0.639 260 A CB -1.387 17.620 19.000 0.012 0.000 0.820 260 A HN 0.566 nan 8.150 nan 0.000 0.451 261 T N 0.310 114.887 114.554 0.039 0.000 2.777 261 T HA -0.057 4.293 4.350 -0.000 0.000 0.266 261 T C 1.809 176.549 174.700 0.066 0.000 1.040 261 T CA 1.432 63.555 62.100 0.038 0.000 1.141 261 T CB -0.385 68.505 68.868 0.038 0.000 0.868 261 T HN 0.388 nan 8.240 nan 0.000 0.444 262 L N 0.768 122.063 121.223 0.120 0.000 2.083 262 L HA -0.091 4.248 4.340 -0.000 0.000 0.209 262 L C 2.654 179.674 176.870 0.251 0.000 1.083 262 L CA 0.816 55.778 54.840 0.203 0.000 0.752 262 L CB -0.781 41.456 42.059 0.295 0.000 0.899 262 L HN 0.147 nan 8.230 nan 0.000 0.433 263 V N -0.611 119.385 119.914 0.137 0.000 2.261 263 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 263 V C 2.423 178.479 176.094 -0.063 0.000 1.047 263 V CA 1.680 63.958 62.300 -0.036 0.000 1.015 263 V CB -0.294 31.435 31.823 -0.158 0.000 0.642 263 V HN 0.196 nan 8.190 nan 0.000 0.446 264 V N 0.453 120.331 119.914 -0.061 0.000 2.407 264 V HA -0.268 3.851 4.120 -0.000 0.000 0.248 264 V C 2.001 178.082 176.094 -0.022 0.000 1.055 264 V CA 2.403 64.661 62.300 -0.070 0.000 1.049 264 V CB -0.978 30.811 31.823 -0.057 0.000 0.662 264 V HN 0.626 nan 8.190 nan 0.000 0.455 265 N N 0.010 118.723 118.700 0.021 0.000 2.354 265 N HA -0.108 4.631 4.740 -0.000 0.000 0.179 265 N C 1.819 177.359 175.510 0.050 0.000 1.021 265 N CA 1.394 54.465 53.050 0.033 0.000 0.887 265 N CB 0.007 38.520 38.487 0.042 0.000 0.974 265 N HN 0.654 nan 8.380 nan 0.000 0.437 266 T N -1.646 112.962 114.554 0.090 0.000 3.081 266 T HA 0.074 4.424 4.350 -0.000 0.000 0.255 266 T C 1.692 176.433 174.700 0.068 0.000 1.113 266 T CA 0.180 62.343 62.100 0.105 0.000 1.082 266 T CB 0.069 69.060 68.868 0.205 0.000 0.939 266 T HN -0.035 nan 8.240 nan 0.000 0.506 267 M N 1.406 121.021 119.600 0.025 0.000 2.200 267 M HA 0.246 4.725 4.480 -0.000 0.000 0.265 267 M C 1.904 178.194 176.300 -0.017 0.000 1.066 267 M CA 1.275 56.562 55.300 -0.021 0.000 1.127 267 M CB -0.164 32.380 32.600 -0.093 0.000 1.379 267 M HN 0.075 nan 8.290 nan 0.000 0.420 268 R N -0.676 119.818 120.500 -0.011 0.000 2.391 268 R HA 0.319 4.659 4.340 -0.000 0.000 0.249 268 R C 1.193 177.494 176.300 0.001 0.000 0.957 268 R CA 0.525 56.620 56.100 -0.010 0.000 1.093 268 R CB -0.400 29.893 30.300 -0.012 0.000 1.156 268 R HN 0.588 nan 8.270 nan 0.000 0.526 269 G N 1.590 110.396 108.800 0.011 0.000 2.238 269 G HA2 -0.382 3.577 3.960 -0.000 0.000 0.270 269 G HA3 -0.382 3.577 3.960 -0.000 0.000 0.270 269 G C 1.003 175.914 174.900 0.018 0.000 0.977 269 G CA 0.868 45.977 45.100 0.016 0.000 0.639 269 G HN 0.366 nan 8.290 nan 0.000 0.544 270 I N -0.382 120.198 120.570 0.017 0.000 2.094 270 I HA -0.205 3.964 4.170 -0.000 0.000 0.236 270 I C 1.249 177.380 176.117 0.024 0.000 1.016 270 I CA 2.077 63.388 61.300 0.018 0.000 1.294 270 I CB -0.614 37.396 38.000 0.016 0.000 1.006 270 I HN 0.153 nan 8.210 nan 0.000 0.397 271 V N 0.079 120.012 119.914 0.032 0.000 2.709 271 V HA 0.272 4.391 4.120 -0.000 0.000 0.308 271 V C -0.646 175.474 176.094 0.042 0.000 1.062 271 V CA -1.021 61.301 62.300 0.036 0.000 0.901 271 V CB 1.801 33.646 31.823 0.036 0.000 1.003 271 V HN 0.110 nan 8.190 nan 0.000 0.425 272 K N 2.975 123.397 120.400 0.036 0.000 2.219 272 K HA 0.560 4.879 4.320 -0.000 0.000 0.280 272 K C -0.823 175.779 176.600 0.004 0.000 1.104 272 K CA 0.095 56.400 56.287 0.030 0.000 0.925 272 K CB 0.797 33.311 32.500 0.022 0.000 1.261 272 K HN 0.485 nan 8.250 nan 0.000 0.445 273 V N 1.650 121.555 119.914 -0.015 0.000 2.588 273 V HA 0.787 4.907 4.120 -0.000 0.000 0.304 273 V C -0.585 175.280 176.094 -0.381 0.000 1.042 273 V CA -1.106 61.130 62.300 -0.107 0.000 0.877 273 V CB 1.853 33.648 31.823 -0.047 0.000 0.996 273 V HN 0.694 nan 8.190 nan 0.000 0.425 274 A N 3.300 125.807 122.820 -0.523 0.000 2.386 274 A HA 1.011 5.331 4.320 -0.000 0.000 0.311 274 A C -0.416 176.775 177.584 -0.654 0.000 1.068 274 A CA -0.336 51.057 52.037 -1.074 0.000 0.743 274 A CB 1.871 20.534 19.000 -0.562 0.000 1.258 274 A HN 1.479 nan 8.150 nan 0.000 0.429 275 A N 0.880 123.299 122.820 -0.669 0.000 2.365 275 A HA 0.814 5.134 4.320 -0.000 0.000 0.318 275 A C -0.370 177.257 177.584 0.072 0.000 1.091 275 A CA -0.138 51.826 52.037 -0.121 0.000 0.763 275 A CB 1.247 20.265 19.000 0.029 0.000 1.248 275 A HN 2.266 nan 8.150 nan 0.000 0.442 276 V N -0.540 119.435 119.914 0.101 0.000 3.007 276 V HA 0.619 4.739 4.120 -0.000 0.000 0.311 276 V C -0.425 175.766 176.094 0.161 0.000 1.120 276 V CA -1.232 61.161 62.300 0.154 0.000 0.980 276 V CB 1.532 33.455 31.823 0.168 0.000 1.033 276 V HN 0.864 nan 8.190 nan 0.000 0.429 277 K N 2.090 122.585 120.400 0.158 0.000 2.319 277 K HA 0.583 4.903 4.320 -0.000 0.000 0.265 277 K C 0.477 177.168 176.600 0.152 0.000 1.000 277 K CA 0.375 56.743 56.287 0.135 0.000 0.943 277 K CB 1.060 33.630 32.500 0.116 0.000 0.950 277 K HN 1.118 nan 8.250 nan 0.000 0.485 278 A N 4.173 127.032 122.820 0.066 0.000 2.407 278 A HA 0.232 4.551 4.320 -0.000 0.000 0.248 278 A C -2.063 175.505 177.584 -0.026 0.000 1.082 278 A CA -1.178 50.837 52.037 -0.037 0.000 0.785 278 A CB -0.316 18.652 19.000 -0.053 0.000 1.020 278 A HN 0.442 nan 8.150 nan 0.000 0.489 279 P HA 0.403 nan 4.420 nan 0.000 0.272 279 P C 0.661 177.962 177.300 0.001 0.000 1.223 279 P CA 1.406 64.483 63.100 -0.039 0.000 0.784 279 P CB 0.548 32.135 31.700 -0.189 0.000 0.923 280 G N 1.453 110.306 108.800 0.087 0.000 2.750 280 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.228 280 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.228 280 G C -0.887 174.140 174.900 0.212 0.000 1.367 280 G CA -0.085 45.091 45.100 0.126 0.000 0.871 280 G HN 0.729 nan 8.290 nan 0.000 0.560 281 F N -1.774 118.189 119.950 0.023 0.000 2.629 281 F HA 0.838 5.365 4.527 -0.000 0.000 0.316 281 F C 1.031 176.844 175.800 0.022 0.000 1.081 281 F CA 0.202 58.215 58.000 0.022 0.000 0.954 281 F CB 1.089 40.107 39.000 0.029 0.000 1.337 281 F HN 2.469 nan 8.300 nan 0.000 0.474 282 G N 1.639 110.439 108.800 -0.000 0.000 2.574 282 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.286 282 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.286 282 G C 0.409 175.236 174.900 -0.123 0.000 1.212 282 G CA 0.697 45.746 45.100 -0.085 0.000 0.979 282 G HN 0.854 nan 8.290 nan 0.000 0.557 283 D N 1.106 121.419 120.400 -0.145 0.000 2.087 283 D HA -0.128 4.511 4.640 -0.000 0.000 0.192 283 D C 2.505 178.733 176.300 -0.121 0.000 0.993 283 D CA 1.994 55.929 54.000 -0.107 0.000 0.828 283 D CB -0.361 40.385 40.800 -0.090 0.000 0.968 283 D HN 0.725 nan 8.370 nan 0.000 0.448 284 R N 1.151 121.549 120.500 -0.171 0.000 2.241 284 R HA -0.040 4.300 4.340 -0.000 0.000 0.224 284 R C 2.103 178.329 176.300 -0.122 0.000 1.101 284 R CA 0.909 56.921 56.100 -0.146 0.000 0.995 284 R CB -0.437 29.762 30.300 -0.168 0.000 0.870 284 R HN 0.105 nan 8.270 nan 0.000 0.463 285 R N 1.679 122.108 120.500 -0.118 0.000 2.075 285 R HA -0.100 4.239 4.340 -0.000 0.000 0.232 285 R C 1.395 177.651 176.300 -0.075 0.000 1.126 285 R CA 1.786 57.839 56.100 -0.078 0.000 0.963 285 R CB -0.030 30.248 30.300 -0.037 0.000 0.858 285 R HN 0.303 nan 8.270 nan 0.000 0.435 286 K N 0.169 120.531 120.400 -0.064 0.000 2.026 286 K HA -0.073 4.247 4.320 -0.000 0.000 0.208 286 K C 2.182 178.746 176.600 -0.061 0.000 1.048 286 K CA 1.474 57.729 56.287 -0.054 0.000 0.929 286 K CB -0.243 32.232 32.500 -0.042 0.000 0.713 286 K HN 0.211 nan 8.250 nan 0.000 0.439 287 A N 1.314 124.094 122.820 -0.065 0.000 1.948 287 A HA -0.196 4.123 4.320 -0.000 0.000 0.220 287 A C 2.139 179.679 177.584 -0.074 0.000 1.177 287 A CA 1.730 53.728 52.037 -0.064 0.000 0.636 287 A CB -0.509 18.451 19.000 -0.066 0.000 0.815 287 A HN 0.222 nan 8.150 nan 0.000 0.449 288 M N -1.219 118.326 119.600 -0.091 0.000 2.236 288 M HA 0.041 4.520 4.480 -0.000 0.000 0.266 288 M C 2.164 178.380 176.300 -0.139 0.000 1.070 288 M CA 0.894 56.126 55.300 -0.114 0.000 1.137 288 M CB -0.275 32.247 32.600 -0.130 0.000 1.378 288 M HN 0.425 nan 8.290 nan 0.000 0.426 289 L N 0.136 121.283 121.223 -0.127 0.000 2.083 289 L HA -0.260 4.079 4.340 -0.000 0.000 0.209 289 L C 2.599 179.416 176.870 -0.087 0.000 1.083 289 L CA 1.408 56.175 54.840 -0.122 0.000 0.752 289 L CB -0.276 41.731 42.059 -0.087 0.000 0.899 289 L HN 0.317 nan 8.230 nan 0.000 0.433 290 Q N 0.101 119.860 119.800 -0.068 0.000 2.119 290 Q HA -0.212 4.128 4.340 -0.000 0.000 0.201 290 Q C 1.663 177.636 176.000 -0.045 0.000 0.972 290 Q CA 1.754 57.528 55.803 -0.048 0.000 0.847 290 Q CB -0.144 28.570 28.738 -0.041 0.000 0.903 290 Q HN 0.420 nan 8.270 nan 0.000 0.433 291 D N -0.160 120.206 120.400 -0.056 0.000 2.123 291 D HA -0.170 4.469 4.640 -0.000 0.000 0.196 291 D C 1.846 178.123 176.300 -0.038 0.000 0.992 291 D CA 1.413 55.385 54.000 -0.046 0.000 0.833 291 D CB -0.184 40.584 40.800 -0.052 0.000 0.954 291 D HN 0.387 nan 8.370 nan 0.000 0.455 292 I N 1.129 121.662 120.570 -0.061 0.000 2.252 292 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 292 I C 2.558 178.667 176.117 -0.013 0.000 1.102 292 I CA 0.912 62.188 61.300 -0.040 0.000 1.385 292 I CB -0.307 37.640 38.000 -0.088 0.000 1.064 292 I HN -0.084 nan 8.210 nan 0.000 0.414 293 A N 0.755 123.562 122.820 -0.021 0.000 1.873 293 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 293 A C 2.405 179.989 177.584 0.001 0.000 1.193 293 A CA 2.801 54.834 52.037 -0.006 0.000 0.629 293 A CB -1.317 17.675 19.000 -0.012 0.000 0.826 293 A HN 0.396 nan 8.150 nan 0.000 0.447 294 T N 0.210 114.760 114.554 -0.006 0.000 2.699 294 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 294 T C 1.792 176.495 174.700 0.004 0.000 1.036 294 T CA 1.344 63.443 62.100 -0.002 0.000 1.147 294 T CB -0.288 68.575 68.868 -0.008 0.000 0.862 294 T HN 0.296 nan 8.240 nan 0.000 0.446 295 L N 1.615 122.842 121.223 0.006 0.000 2.141 295 L HA -0.035 4.305 4.340 -0.000 0.000 0.209 295 L C 2.325 179.207 176.870 0.019 0.000 1.094 295 L CA 2.097 56.946 54.840 0.014 0.000 0.763 295 L CB -1.088 40.983 42.059 0.020 0.000 0.908 295 L HN 0.466 nan 8.230 nan 0.000 0.437 296 T N -4.838 109.731 114.554 0.024 0.000 3.054 296 T HA 0.264 4.614 4.350 -0.000 0.000 0.255 296 T C 1.262 175.984 174.700 0.037 0.000 1.035 296 T CA 0.420 62.540 62.100 0.032 0.000 0.941 296 T CB 0.314 69.208 68.868 0.043 0.000 1.026 296 T HN 0.443 nan 8.240 nan 0.000 0.533 297 G N 0.719 109.537 108.800 0.029 0.000 2.176 297 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.252 297 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.252 297 G C 0.400 175.321 174.900 0.036 0.000 1.024 297 G CA -0.146 44.971 45.100 0.030 0.000 0.755 297 G HN 1.009 nan 8.290 nan 0.000 0.507 298 G N -1.568 107.252 108.800 0.033 0.000 2.557 298 G HA2 0.730 4.689 3.960 -0.000 0.000 0.302 298 G HA3 0.730 4.689 3.960 -0.000 0.000 0.302 298 G C -0.339 174.569 174.900 0.014 0.000 1.311 298 G CA 0.281 45.401 45.100 0.032 0.000 1.030 298 G HN 0.700 nan 8.290 nan 0.000 0.509 299 T N 0.035 114.594 114.554 0.008 0.000 2.879 299 T HA 0.380 4.729 4.350 -0.000 0.000 0.290 299 T C -0.147 174.550 174.700 -0.005 0.000 0.993 299 T CA -0.307 61.792 62.100 -0.001 0.000 0.975 299 T CB 1.695 70.561 68.868 -0.004 0.000 0.981 299 T HN 0.348 nan 8.240 nan 0.000 0.439 300 V N 4.715 124.623 119.914 -0.010 0.000 2.529 300 V HA 0.161 4.281 4.120 -0.000 0.000 0.292 300 V C 0.460 176.548 176.094 -0.011 0.000 1.028 300 V CA -0.006 62.286 62.300 -0.013 0.000 1.074 300 V CB -0.036 31.776 31.823 -0.019 0.000 0.958 300 V HN 0.768 nan 8.190 nan 0.000 0.481 301 I N 5.715 126.279 120.570 -0.009 0.000 2.276 301 I HA 0.223 4.393 4.170 -0.000 0.000 0.290 301 I C 0.514 176.627 176.117 -0.006 0.000 1.109 301 I CA 0.189 61.484 61.300 -0.008 0.000 1.229 301 I CB 0.405 38.400 38.000 -0.007 0.000 1.452 301 I HN 0.710 nan 8.210 nan 0.000 0.497 302 S N 2.797 118.493 115.700 -0.007 0.000 2.509 302 S HA 0.379 4.848 4.470 -0.000 0.000 0.297 302 S C 0.605 175.203 174.600 -0.004 0.000 1.118 302 S CA -0.847 57.350 58.200 -0.005 0.000 1.074 302 S CB 2.119 65.314 63.200 -0.008 0.000 1.038 302 S HN 0.544 nan 8.310 nan 0.000 0.498 303 E N 1.173 121.373 120.200 -0.001 0.000 2.347 303 E HA -0.117 4.233 4.350 -0.000 0.000 0.196 303 E C 1.278 177.878 176.600 -0.001 0.000 1.008 303 E CA 0.785 57.185 56.400 0.000 0.000 0.852 303 E CB -0.035 29.667 29.700 0.003 0.000 0.783 303 E HN 0.799 nan 8.360 nan 0.000 0.505 304 E N 0.564 120.763 120.200 -0.002 0.000 2.153 304 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 304 E C 1.598 178.196 176.600 -0.003 0.000 0.988 304 E CA 0.827 57.226 56.400 -0.002 0.000 0.811 304 E CB -0.042 29.655 29.700 -0.004 0.000 0.746 304 E HN 0.341 nan 8.360 nan 0.000 0.466 305 I N 0.124 120.691 120.570 -0.005 0.000 3.812 305 I HA 0.134 4.304 4.170 -0.000 0.000 0.320 305 I C 0.961 177.076 176.117 -0.004 0.000 1.276 305 I CA 0.111 61.408 61.300 -0.005 0.000 1.164 305 I CB -0.089 37.907 38.000 -0.007 0.000 1.009 305 I HN 0.110 nan 8.210 nan 0.000 0.431 306 G N 2.101 110.899 108.800 -0.003 0.000 2.272 306 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.280 306 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.280 306 G C 0.021 174.919 174.900 -0.004 0.000 1.067 306 G CA -0.081 45.017 45.100 -0.003 0.000 0.902 306 G HN 0.335 nan 8.290 nan 0.000 0.500 307 M N -0.107 119.490 119.600 -0.004 0.000 2.363 307 M HA 0.509 4.988 4.480 -0.000 0.000 0.343 307 M C 0.336 176.634 176.300 -0.005 0.000 1.165 307 M CA -0.355 54.942 55.300 -0.006 0.000 1.046 307 M CB 1.499 34.094 32.600 -0.007 0.000 1.648 307 M HN 0.261 nan 8.290 nan 0.000 0.452 308 E N 1.686 121.882 120.200 -0.006 0.000 2.222 308 E HA 0.337 4.686 4.350 -0.000 0.000 0.267 308 E C 0.242 176.837 176.600 -0.008 0.000 0.963 308 E CA -0.592 55.805 56.400 -0.005 0.000 0.837 308 E CB 2.029 31.727 29.700 -0.005 0.000 1.183 308 E HN 0.659 nan 8.360 nan 0.000 0.403 309 L N 1.308 122.527 121.223 -0.006 0.000 2.291 309 L HA -0.117 4.223 4.340 -0.000 0.000 0.214 309 L C 1.606 178.469 176.870 -0.012 0.000 1.120 309 L CA 0.875 55.710 54.840 -0.008 0.000 0.799 309 L CB -0.169 41.889 42.059 -0.003 0.000 0.925 309 L HN 0.543 nan 8.230 nan 0.000 0.446 310 E N 0.629 120.823 120.200 -0.010 0.000 2.106 310 E HA -0.147 4.203 4.350 -0.000 0.000 0.192 310 E C 0.974 177.564 176.600 -0.017 0.000 0.984 310 E CA 1.039 57.432 56.400 -0.012 0.000 0.806 310 E CB 0.001 29.696 29.700 -0.008 0.000 0.750 310 E HN 0.271 nan 8.360 nan 0.000 0.458 311 K N 0.411 120.802 120.400 -0.016 0.000 3.129 311 K HA 0.424 4.744 4.320 -0.000 0.000 0.241 311 K C -0.802 175.783 176.600 -0.024 0.000 1.239 311 K CA -0.231 56.045 56.287 -0.018 0.000 1.239 311 K CB 0.826 33.318 32.500 -0.014 0.000 1.347 311 K HN -0.019 nan 8.250 nan 0.000 0.435 312 A N 0.981 123.782 122.820 -0.031 0.000 2.356 312 A HA 0.484 4.803 4.320 -0.000 0.000 0.310 312 A C 0.049 177.598 177.584 -0.059 0.000 1.075 312 A CA -0.661 51.352 52.037 -0.040 0.000 0.746 312 A CB 0.929 19.907 19.000 -0.036 0.000 1.221 312 A HN 0.265 nan 8.150 nan 0.000 0.443 313 T N -0.256 114.256 114.554 -0.069 0.000 2.922 313 T HA 0.540 4.890 4.350 -0.000 0.000 0.281 313 T C 1.146 175.756 174.700 -0.150 0.000 1.005 313 T CA -0.728 61.314 62.100 -0.096 0.000 0.982 313 T CB 0.413 69.236 68.868 -0.074 0.000 1.158 313 T HN 0.348 nan 8.240 nan 0.000 0.566 314 L N -0.041 121.055 121.223 -0.212 0.000 2.261 314 L HA -0.054 4.285 4.340 -0.000 0.000 0.216 314 L C 2.863 179.597 176.870 -0.227 0.000 1.114 314 L CA 1.516 56.133 54.840 -0.371 0.000 0.777 314 L CB -0.558 41.245 42.059 -0.426 0.000 0.910 314 L HN 0.857 nan 8.230 nan 0.000 0.440 315 E N 0.202 120.335 120.200 -0.111 0.000 2.150 315 E HA -0.212 4.137 4.350 -0.000 0.000 0.193 315 E C 1.518 178.102 176.600 -0.026 0.000 0.985 315 E CA 1.045 57.420 56.400 -0.042 0.000 0.814 315 E CB 0.206 29.889 29.700 -0.029 0.000 0.752 315 E HN 0.445 nan 8.360 nan 0.000 0.466 316 D N 0.150 120.522 120.400 -0.046 0.000 2.178 316 D HA -0.086 4.554 4.640 -0.000 0.000 0.202 316 D C 0.257 176.551 176.300 -0.009 0.000 0.974 316 D CA 0.432 54.416 54.000 -0.026 0.000 0.841 316 D CB 0.027 40.806 40.800 -0.035 0.000 0.953 316 D HN 0.129 nan 8.370 nan 0.000 0.478 317 L N 0.934 122.142 121.223 -0.024 0.000 2.456 317 L HA 0.238 4.578 4.340 -0.000 0.000 0.272 317 L C 1.466 178.410 176.870 0.123 0.000 1.189 317 L CA 0.169 55.031 54.840 0.037 0.000 0.846 317 L CB 0.541 42.592 42.059 -0.013 0.000 1.111 317 L HN -0.153 nan 8.230 nan 0.000 0.475 318 G N 1.565 110.442 108.800 0.128 0.000 2.563 318 G HA2 0.520 4.479 3.960 -0.000 0.000 0.283 318 G HA3 0.520 4.479 3.960 -0.000 0.000 0.283 318 G C -0.900 174.100 174.900 0.167 0.000 1.309 318 G CA -0.210 44.963 45.100 0.122 0.000 1.022 318 G HN 0.561 nan 8.290 nan 0.000 0.501 319 Q N -2.281 117.570 119.800 0.085 0.000 2.522 319 Q HA 0.569 4.909 4.340 -0.000 0.000 0.285 319 Q C -1.387 174.605 176.000 -0.013 0.000 0.982 319 Q CA -0.713 55.096 55.803 0.010 0.000 0.805 319 Q CB 2.293 31.013 28.738 -0.031 0.000 1.457 319 Q HN 1.075 nan 8.270 nan 0.000 0.394 320 A N 1.361 124.151 122.820 -0.051 0.000 2.608 320 A HA 0.389 4.709 4.320 -0.000 0.000 0.292 320 A C -0.606 176.943 177.584 -0.058 0.000 1.066 320 A CA -0.594 51.422 52.037 -0.034 0.000 0.676 320 A CB 1.447 20.443 19.000 -0.007 0.000 1.277 320 A HN 0.750 nan 8.150 nan 0.000 0.413 321 K N -0.404 119.971 120.400 -0.043 0.000 2.097 321 K HA -0.048 4.272 4.320 -0.000 0.000 0.206 321 K C 0.654 177.227 176.600 -0.044 0.000 1.049 321 K CA 1.335 57.594 56.287 -0.046 0.000 0.933 321 K CB 0.109 32.590 32.500 -0.031 0.000 0.717 321 K HN 0.523 nan 8.250 nan 0.000 0.442 322 R N 0.004 120.485 120.500 -0.032 0.000 2.561 322 R HA 0.168 4.507 4.340 -0.000 0.000 0.266 322 R C -1.830 174.460 176.300 -0.017 0.000 1.091 322 R CA -0.457 55.628 56.100 -0.025 0.000 0.927 322 R CB 1.962 32.250 30.300 -0.019 0.000 1.240 322 R HN -0.043 nan 8.270 nan 0.000 0.449 323 V N 0.804 120.708 119.914 -0.017 0.000 2.735 323 V HA 0.832 4.952 4.120 -0.000 0.000 0.310 323 V C -1.163 174.922 176.094 -0.015 0.000 1.061 323 V CA -0.618 61.674 62.300 -0.014 0.000 0.913 323 V CB 2.121 33.941 31.823 -0.006 0.000 1.005 323 V HN 0.407 nan 8.190 nan 0.000 0.428 324 V N 6.218 126.118 119.914 -0.023 0.000 2.487 324 V HA 0.600 4.720 4.120 -0.000 0.000 0.298 324 V C -0.177 175.900 176.094 -0.028 0.000 1.028 324 V CA -0.396 61.897 62.300 -0.013 0.000 0.860 324 V CB 1.603 33.420 31.823 -0.010 0.000 0.991 324 V HN 1.049 nan 8.190 nan 0.000 0.427 325 I N 1.637 122.218 120.570 0.018 0.000 2.466 325 I HA 0.665 4.835 4.170 -0.000 0.000 0.289 325 I C -0.603 175.589 176.117 0.124 0.000 1.026 325 I CA -0.451 60.865 61.300 0.027 0.000 1.078 325 I CB 2.029 40.053 38.000 0.040 0.000 1.249 325 I HN 0.431 nan 8.210 nan 0.000 0.429 326 N N 5.189 123.900 118.700 0.018 0.000 2.431 326 N HA 0.185 4.925 4.740 -0.000 0.000 0.289 326 N C 0.768 176.102 175.510 -0.294 0.000 1.277 326 N CA -0.506 52.554 53.050 0.017 0.000 0.972 326 N CB 0.745 39.206 38.487 -0.043 0.000 1.143 326 N HN 0.673 nan 8.380 nan 0.000 0.578 327 K N 0.024 120.227 120.400 -0.328 0.000 2.152 327 K HA -0.181 4.139 4.320 -0.000 0.000 0.206 327 K C -0.469 175.814 176.600 -0.529 0.000 1.048 327 K CA 1.960 57.841 56.287 -0.678 0.000 0.933 327 K CB 0.005 32.377 32.500 -0.212 0.000 0.721 327 K HN 0.618 nan 8.250 nan 0.000 0.447 328 D N -1.707 118.519 120.400 -0.290 0.000 2.740 328 D HA 0.109 4.749 4.640 -0.000 0.000 0.305 328 D C -0.885 175.328 176.300 -0.145 0.000 1.583 328 D CA -0.459 53.425 54.000 -0.193 0.000 0.790 328 D CB 0.810 41.537 40.800 -0.120 0.000 1.187 328 D HN -0.174 nan 8.370 nan 0.000 0.447 329 T N -0.232 114.216 114.554 -0.176 0.000 2.993 329 T HA 0.571 4.920 4.350 -0.000 0.000 0.312 329 T C -1.154 173.377 174.700 -0.281 0.000 1.115 329 T CA -0.397 61.584 62.100 -0.200 0.000 1.027 329 T CB 2.141 70.931 68.868 -0.130 0.000 1.116 329 T HN -0.103 nan 8.240 nan 0.000 0.464 330 T N 2.400 116.638 114.554 -0.526 0.000 2.792 330 T HA 0.631 4.980 4.350 -0.000 0.000 0.280 330 T C -0.365 174.013 174.700 -0.538 0.000 0.990 330 T CA -0.486 61.245 62.100 -0.614 0.000 0.960 330 T CB 1.383 69.633 68.868 -1.031 0.000 0.939 330 T HN 0.632 nan 8.240 nan 0.000 0.439 331 T N 3.673 118.076 114.554 -0.252 0.000 2.812 331 T HA 0.669 5.018 4.350 -0.000 0.000 0.282 331 T C -0.635 174.034 174.700 -0.052 0.000 0.990 331 T CA -0.729 61.292 62.100 -0.131 0.000 0.960 331 T CB 0.190 69.009 68.868 -0.081 0.000 0.948 331 T HN 0.477 nan 8.240 nan 0.000 0.438 332 I N 5.986 126.561 120.570 0.008 0.000 2.328 332 I HA 0.415 4.584 4.170 -0.000 0.000 0.287 332 I C -0.390 175.742 176.117 0.025 0.000 1.012 332 I CA -0.814 60.509 61.300 0.037 0.000 1.195 332 I CB 1.261 39.320 38.000 0.098 0.000 1.350 332 I HN 0.590 nan 8.210 nan 0.000 0.464 333 I N 6.075 126.651 120.570 0.009 0.000 2.312 333 I HA 0.233 4.402 4.170 -0.000 0.000 0.290 333 I C -0.314 175.803 176.117 0.000 0.000 1.008 333 I CA -0.236 61.066 61.300 0.003 0.000 1.226 333 I CB 0.907 38.904 38.000 -0.004 0.000 1.371 333 I HN 0.562 nan 8.210 nan 0.000 0.468 334 D N 4.921 125.323 120.400 0.004 0.000 3.241 334 D HA -0.112 4.528 4.640 -0.000 0.000 0.248 334 D C 0.169 176.468 176.300 -0.001 0.000 1.093 334 D CA 0.888 54.887 54.000 -0.000 0.000 0.940 334 D CB -0.303 40.493 40.800 -0.007 0.000 0.980 334 D HN 0.796 nan 8.370 nan 0.000 0.421 335 G N 0.513 109.318 108.800 0.008 0.000 2.467 335 G HA2 0.381 4.341 3.960 -0.000 0.000 0.257 335 G HA3 0.381 4.341 3.960 -0.000 0.000 0.257 335 G C 1.425 176.329 174.900 0.007 0.000 1.227 335 G CA -0.330 44.776 45.100 0.010 0.000 0.835 335 G HN 0.339 nan 8.290 nan 0.000 0.556 336 V N 2.450 122.369 119.914 0.007 0.000 2.759 336 V HA -0.013 4.107 4.120 -0.000 0.000 0.256 336 V C 2.257 178.359 176.094 0.013 0.000 1.080 336 V CA 1.163 63.468 62.300 0.008 0.000 1.101 336 V CB -1.149 30.682 31.823 0.013 0.000 0.698 336 V HN 0.862 nan 8.190 nan 0.000 0.477 337 G N 0.907 109.716 108.800 0.015 0.000 2.257 337 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.235 337 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.235 337 G C -0.071 174.834 174.900 0.009 0.000 1.225 337 G CA -0.124 44.984 45.100 0.013 0.000 0.878 337 G HN 0.534 nan 8.290 nan 0.000 0.505 338 E N 1.431 121.636 120.200 0.008 0.000 2.343 338 E HA 0.064 4.414 4.350 -0.000 0.000 0.269 338 E C 0.940 177.542 176.600 0.004 0.000 1.047 338 E CA -0.296 56.108 56.400 0.006 0.000 0.874 338 E CB 1.440 31.144 29.700 0.006 0.000 1.033 338 E HN 0.671 nan 8.360 nan 0.000 0.409 339 E N 1.582 121.783 120.200 0.003 0.000 2.160 339 E HA -0.250 4.099 4.350 -0.000 0.000 0.195 339 E C 1.805 178.405 176.600 0.001 0.000 0.991 339 E CA 1.001 57.402 56.400 0.002 0.000 0.810 339 E CB -0.035 29.666 29.700 0.001 0.000 0.742 339 E HN 0.593 nan 8.360 nan 0.000 0.466 340 A N 1.824 124.644 122.820 0.001 0.000 1.851 340 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 340 A C 2.460 180.043 177.584 -0.001 0.000 1.195 340 A CA 2.009 54.046 52.037 0.000 0.000 0.622 340 A CB -0.858 18.142 19.000 0.001 0.000 0.831 340 A HN 0.312 nan 8.150 nan 0.000 0.444 341 A N -0.404 122.416 122.820 0.000 0.000 1.883 341 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 341 A C 2.188 179.771 177.584 -0.002 0.000 1.186 341 A CA 1.692 53.729 52.037 -0.001 0.000 0.624 341 A CB -0.644 18.357 19.000 0.001 0.000 0.822 341 A HN 0.518 nan 8.150 nan 0.000 0.444 342 I N -1.199 119.370 120.570 -0.001 0.000 2.163 342 I HA -0.236 3.934 4.170 -0.000 0.000 0.240 342 I C 2.751 178.866 176.117 -0.003 0.000 1.081 342 I CA 1.675 62.974 61.300 -0.001 0.000 1.353 342 I CB -0.294 37.707 38.000 0.001 0.000 1.054 342 I HN 0.329 nan 8.210 nan 0.000 0.407 343 Q N 1.288 121.086 119.800 -0.002 0.000 2.170 343 Q HA -0.129 4.210 4.340 -0.000 0.000 0.203 343 Q C 2.005 178.002 176.000 -0.005 0.000 0.976 343 Q CA 1.958 57.759 55.803 -0.003 0.000 0.858 343 Q CB -0.752 27.984 28.738 -0.002 0.000 0.907 343 Q HN 0.500 nan 8.270 nan 0.000 0.433 344 G N -0.219 108.578 108.800 -0.005 0.000 2.402 344 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.216 344 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.216 344 G C 1.587 176.482 174.900 -0.008 0.000 1.162 344 G CA 0.732 45.828 45.100 -0.006 0.000 0.777 344 G HN 0.371 nan 8.290 nan 0.000 0.539 345 R N 0.154 120.648 120.500 -0.009 0.000 2.081 345 R HA -0.017 4.323 4.340 -0.000 0.000 0.235 345 R C 2.561 178.852 176.300 -0.014 0.000 1.131 345 R CA 1.412 57.505 56.100 -0.012 0.000 0.960 345 R CB -0.783 29.509 30.300 -0.013 0.000 0.856 345 R HN 0.198 nan 8.270 nan 0.000 0.436 346 V N 0.744 120.652 119.914 -0.011 0.000 2.287 346 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 346 V C 2.353 178.440 176.094 -0.012 0.000 1.053 346 V CA 2.004 64.297 62.300 -0.012 0.000 1.027 346 V CB -0.917 30.901 31.823 -0.008 0.000 0.646 346 V HN 0.582 nan 8.190 nan 0.000 0.447 347 A N -0.877 121.937 122.820 -0.010 0.000 1.883 347 A HA -0.308 4.012 4.320 -0.000 0.000 0.217 347 A C 2.156 179.733 177.584 -0.012 0.000 1.186 347 A CA 2.085 54.116 52.037 -0.010 0.000 0.624 347 A CB -0.526 18.470 19.000 -0.008 0.000 0.822 347 A HN 0.640 nan 8.150 nan 0.000 0.444 348 Q N -0.454 119.338 119.800 -0.013 0.000 2.045 348 Q HA -0.187 4.153 4.340 -0.000 0.000 0.206 348 Q C 2.094 178.083 176.000 -0.019 0.000 0.991 348 Q CA 1.892 57.686 55.803 -0.015 0.000 0.851 348 Q CB -0.428 28.300 28.738 -0.016 0.000 0.911 348 Q HN 0.759 nan 8.270 nan 0.000 0.418 349 I N 0.094 120.651 120.570 -0.021 0.000 2.286 349 I HA -0.265 3.905 4.170 -0.000 0.000 0.248 349 I C 2.558 178.661 176.117 -0.024 0.000 1.115 349 I CA 0.987 62.272 61.300 -0.026 0.000 1.392 349 I CB -0.273 37.710 38.000 -0.029 0.000 1.065 349 I HN 0.137 nan 8.210 nan 0.000 0.418 350 R N 0.661 121.149 120.500 -0.019 0.000 2.127 350 R HA -0.195 4.145 4.340 -0.000 0.000 0.238 350 R C 2.338 178.629 176.300 -0.016 0.000 1.134 350 R CA 1.427 57.517 56.100 -0.017 0.000 0.975 350 R CB -0.065 30.227 30.300 -0.013 0.000 0.865 350 R HN 0.428 nan 8.270 nan 0.000 0.447 351 Q N -0.506 119.285 119.800 -0.015 0.000 2.123 351 Q HA -0.147 4.192 4.340 -0.000 0.000 0.199 351 Q C 2.047 178.037 176.000 -0.016 0.000 0.966 351 Q CA 1.108 56.903 55.803 -0.014 0.000 0.845 351 Q CB 0.188 28.919 28.738 -0.012 0.000 0.907 351 Q HN 0.478 nan 8.270 nan 0.000 0.439 352 Q N 0.314 120.102 119.800 -0.020 0.000 2.135 352 Q HA -0.171 4.169 4.340 -0.000 0.000 0.204 352 Q C 2.100 178.086 176.000 -0.024 0.000 0.981 352 Q CA 1.079 56.868 55.803 -0.023 0.000 0.856 352 Q CB -0.261 28.459 28.738 -0.030 0.000 0.902 352 Q HN 0.479 nan 8.270 nan 0.000 0.425 353 I N 1.348 121.903 120.570 -0.025 0.000 2.286 353 I HA -0.244 3.925 4.170 -0.000 0.000 0.248 353 I C 2.106 178.212 176.117 -0.017 0.000 1.115 353 I CA 1.001 62.287 61.300 -0.024 0.000 1.392 353 I CB -0.293 37.692 38.000 -0.024 0.000 1.065 353 I HN 0.142 nan 8.210 nan 0.000 0.418 354 E N 1.082 121.274 120.200 -0.014 0.000 2.150 354 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 354 E C 1.704 178.299 176.600 -0.009 0.000 0.985 354 E CA 1.115 57.509 56.400 -0.010 0.000 0.814 354 E CB -0.271 29.423 29.700 -0.009 0.000 0.752 354 E HN 0.640 nan 8.360 nan 0.000 0.466 355 E N 0.874 121.068 120.200 -0.010 0.000 2.474 355 E HA 0.209 4.559 4.350 -0.000 0.000 0.194 355 E C 0.406 177.002 176.600 -0.007 0.000 1.041 355 E CA 0.047 56.442 56.400 -0.008 0.000 0.874 355 E CB 0.326 30.021 29.700 -0.009 0.000 0.914 355 E HN 0.058 nan 8.360 nan 0.000 0.498 356 A N 1.878 124.692 122.820 -0.010 0.000 2.522 356 A HA 0.051 4.371 4.320 -0.000 0.000 0.256 356 A C 1.170 178.754 177.584 -0.000 0.000 1.086 356 A CA 0.306 52.338 52.037 -0.009 0.000 0.763 356 A CB -0.143 18.847 19.000 -0.017 0.000 1.024 356 A HN 0.231 nan 8.150 nan 0.000 0.502 357 T N -0.562 113.996 114.554 0.006 0.000 3.145 357 T HA 0.400 4.749 4.350 -0.000 0.000 0.255 357 T C 0.355 175.068 174.700 0.021 0.000 1.039 357 T CA 0.364 62.471 62.100 0.011 0.000 0.928 357 T CB -0.368 68.506 68.868 0.010 0.000 1.029 357 T HN 1.170 nan 8.240 nan 0.000 0.554 358 S N -0.268 115.448 115.700 0.027 0.000 2.543 358 S HA 0.333 4.803 4.470 -0.000 0.000 0.271 358 S C -0.098 174.533 174.600 0.052 0.000 1.148 358 S CA -0.637 57.593 58.200 0.049 0.000 0.914 358 S CB 1.578 64.823 63.200 0.075 0.000 1.096 358 S HN 0.025 nan 8.310 nan 0.000 0.471 359 D N 2.410 122.847 120.400 0.062 0.000 2.116 359 D HA -0.145 4.495 4.640 -0.000 0.000 0.193 359 D C 1.375 177.716 176.300 0.068 0.000 0.998 359 D CA 1.859 55.893 54.000 0.056 0.000 0.836 359 D CB -0.381 40.457 40.800 0.063 0.000 0.951 359 D HN 0.734 nan 8.370 nan 0.000 0.449 360 Y N 2.008 122.309 120.300 0.002 0.000 2.081 360 Y HA -0.259 4.290 4.550 -0.000 0.000 0.280 360 Y C 1.662 177.559 175.900 -0.006 0.000 1.163 360 Y CA 2.149 60.250 58.100 0.002 0.000 1.135 360 Y CB -0.497 37.966 38.460 0.006 0.000 0.970 360 Y HN -0.071 nan 8.280 nan 0.000 0.498 361 D N -0.722 119.636 120.400 -0.071 0.000 2.123 361 D HA -0.180 4.459 4.640 -0.000 0.000 0.196 361 D C 2.252 178.465 176.300 -0.146 0.000 0.992 361 D CA 1.607 55.525 54.000 -0.138 0.000 0.833 361 D CB -0.231 40.553 40.800 -0.027 0.000 0.954 361 D HN 0.269 nan 8.370 nan 0.000 0.455 362 R N 0.683 121.131 120.500 -0.087 0.000 2.080 362 R HA -0.159 4.181 4.340 -0.000 0.000 0.236 362 R C 1.967 178.209 176.300 -0.096 0.000 1.137 362 R CA 1.398 57.456 56.100 -0.069 0.000 0.943 362 R CB 0.018 30.299 30.300 -0.032 0.000 0.846 362 R HN 0.181 nan 8.270 nan 0.000 0.431 363 E N 0.645 120.775 120.200 -0.117 0.000 2.077 363 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 363 E C 1.890 178.395 176.600 -0.157 0.000 0.989 363 E CA 0.926 57.259 56.400 -0.113 0.000 0.800 363 E CB -0.168 29.479 29.700 -0.088 0.000 0.746 363 E HN 0.215 nan 8.360 nan 0.000 0.452 364 K N 0.960 121.194 120.400 -0.276 0.000 2.063 364 K HA -0.073 4.246 4.320 -0.000 0.000 0.208 364 K C 2.422 178.927 176.600 -0.159 0.000 1.048 364 K CA 0.778 56.903 56.287 -0.269 0.000 0.928 364 K CB -0.603 31.645 32.500 -0.419 0.000 0.713 364 K HN 0.201 nan 8.250 nan 0.000 0.442 365 L N 0.783 121.924 121.223 -0.137 0.000 2.072 365 L HA -0.173 4.167 4.340 -0.000 0.000 0.205 365 L C 2.573 179.403 176.870 -0.066 0.000 1.079 365 L CA 1.138 55.925 54.840 -0.090 0.000 0.752 365 L CB -0.423 41.590 42.059 -0.076 0.000 0.906 365 L HN 0.205 nan 8.230 nan 0.000 0.436 366 Q N -0.074 119.688 119.800 -0.063 0.000 2.135 366 Q HA -0.251 4.089 4.340 -0.000 0.000 0.204 366 Q C 2.108 178.086 176.000 -0.037 0.000 0.981 366 Q CA 1.594 57.371 55.803 -0.043 0.000 0.856 366 Q CB -0.107 28.609 28.738 -0.037 0.000 0.902 366 Q HN 0.522 nan 8.270 nan 0.000 0.425 367 E N 0.300 120.472 120.200 -0.046 0.000 2.077 367 E HA -0.171 4.178 4.350 -0.000 0.000 0.193 367 E C 2.081 178.666 176.600 -0.025 0.000 0.989 367 E CA 0.746 57.127 56.400 -0.031 0.000 0.800 367 E CB 0.036 29.714 29.700 -0.037 0.000 0.746 367 E HN 0.258 nan 8.360 nan 0.000 0.452 368 R N 0.399 120.876 120.500 -0.038 0.000 2.081 368 R HA -0.140 4.200 4.340 -0.000 0.000 0.235 368 R C 2.709 178.996 176.300 -0.022 0.000 1.131 368 R CA 1.669 57.750 56.100 -0.032 0.000 0.960 368 R CB -0.706 29.566 30.300 -0.047 0.000 0.856 368 R HN 0.230 nan 8.270 nan 0.000 0.436 369 V N -1.379 118.521 119.914 -0.024 0.000 2.358 369 V HA -0.104 4.016 4.120 -0.000 0.000 0.246 369 V C 2.374 178.462 176.094 -0.010 0.000 1.047 369 V CA 1.754 64.043 62.300 -0.017 0.000 1.035 369 V CB -1.089 30.722 31.823 -0.019 0.000 0.658 369 V HN 0.241 nan 8.190 nan 0.000 0.452 370 A N 0.542 123.356 122.820 -0.009 0.000 1.908 370 A HA -0.216 4.103 4.320 -0.000 0.000 0.218 370 A C 2.348 179.935 177.584 0.004 0.000 1.181 370 A CA 2.358 54.393 52.037 -0.003 0.000 0.627 370 A CB -0.644 18.354 19.000 -0.004 0.000 0.818 370 A HN 0.628 nan 8.150 nan 0.000 0.445 371 K N -1.243 119.162 120.400 0.008 0.000 2.057 371 K HA -0.070 4.250 4.320 -0.000 0.000 0.207 371 K C 1.881 178.492 176.600 0.019 0.000 1.049 371 K CA 1.275 57.575 56.287 0.021 0.000 0.931 371 K CB -0.262 32.257 32.500 0.032 0.000 0.714 371 K HN 0.339 nan 8.250 nan 0.000 0.440 372 L N 0.451 121.679 121.223 0.008 0.000 2.072 372 L HA -0.013 4.327 4.340 -0.000 0.000 0.205 372 L C 2.057 178.930 176.870 0.005 0.000 1.079 372 L CA 1.601 56.445 54.840 0.006 0.000 0.752 372 L CB -0.609 41.448 42.059 -0.003 0.000 0.906 372 L HN 0.097 nan 8.230 nan 0.000 0.436 373 A N -1.390 121.431 122.820 0.002 0.000 2.067 373 A HA 0.140 4.460 4.320 -0.000 0.000 0.217 373 A C 2.204 179.790 177.584 0.003 0.000 1.156 373 A CA 0.961 52.998 52.037 0.001 0.000 0.683 373 A CB -0.944 18.055 19.000 -0.002 0.000 0.808 373 A HN 0.450 nan 8.150 nan 0.000 0.455 374 G N -0.949 107.854 108.800 0.005 0.000 2.494 374 G HA2 0.369 4.329 3.960 -0.000 0.000 0.216 374 G HA3 0.369 4.329 3.960 -0.000 0.000 0.216 374 G C 1.175 176.079 174.900 0.007 0.000 1.140 374 G CA 0.676 45.780 45.100 0.005 0.000 0.801 374 G HN 1.510 nan 8.290 nan 0.000 0.536 375 G N -1.250 107.557 108.800 0.010 0.000 2.569 375 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.259 375 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.259 375 G C -0.512 174.395 174.900 0.011 0.000 1.263 375 G CA 0.026 45.133 45.100 0.011 0.000 0.928 375 G HN 1.088 nan 8.290 nan 0.000 0.572 376 V N 0.299 120.218 119.914 0.008 0.000 2.668 376 V HA 0.686 4.805 4.120 -0.000 0.000 0.304 376 V C 0.617 176.713 176.094 0.003 0.000 1.071 376 V CA -0.056 62.248 62.300 0.006 0.000 0.894 376 V CB 1.342 33.169 31.823 0.006 0.000 1.008 376 V HN 2.089 nan 8.190 nan 0.000 0.425 377 A N 4.621 127.442 122.820 0.002 0.000 2.366 377 A HA 0.715 5.035 4.320 -0.000 0.000 0.272 377 A C -0.415 177.169 177.584 0.001 0.000 1.135 377 A CA -0.224 51.813 52.037 0.001 0.000 0.804 377 A CB 0.671 19.671 19.000 0.000 0.000 1.064 377 A HN 0.793 nan 8.150 nan 0.000 0.499 378 V N 4.818 124.733 119.914 0.000 0.000 2.378 378 V HA 0.278 4.397 4.120 -0.000 0.000 0.288 378 V C -0.143 175.951 176.094 0.000 0.000 1.016 378 V CA -0.138 62.162 62.300 -0.000 0.000 0.840 378 V CB 1.119 32.941 31.823 -0.001 0.000 0.994 378 V HN 0.745 nan 8.190 nan 0.000 0.431 379 I N 5.336 125.907 120.570 0.001 0.000 2.312 379 I HA 0.345 4.514 4.170 -0.000 0.000 0.291 379 I C 0.322 176.439 176.117 0.001 0.000 1.031 379 I CA -0.220 61.081 61.300 0.002 0.000 1.293 379 I CB 0.852 38.854 38.000 0.003 0.000 1.403 379 I HN 0.473 nan 8.210 nan 0.000 0.484 380 K N 5.939 126.340 120.400 0.000 0.000 2.240 380 K HA 0.451 4.771 4.320 -0.000 0.000 0.271 380 K C -0.922 175.678 176.600 -0.000 0.000 1.018 380 K CA -0.670 55.617 56.287 -0.001 0.000 0.874 380 K CB 2.095 34.594 32.500 -0.002 0.000 1.098 380 K HN 0.309 nan 8.250 nan 0.000 0.458 381 V N 2.990 122.904 119.914 0.000 0.000 2.408 381 V HA 0.195 4.315 4.120 -0.000 0.000 0.267 381 V C 0.803 176.897 176.094 -0.001 0.000 1.047 381 V CA -0.637 61.663 62.300 0.000 0.000 0.937 381 V CB 0.908 32.731 31.823 0.001 0.000 0.999 381 V HN 0.888 nan 8.190 nan 0.000 0.472 382 G N 3.434 112.234 108.800 -0.001 0.000 2.448 382 G HA2 0.743 4.703 3.960 -0.000 0.000 0.285 382 G HA3 0.743 4.703 3.960 -0.000 0.000 0.285 382 G C -0.313 174.586 174.900 -0.001 0.000 1.176 382 G CA 0.315 45.415 45.100 -0.001 0.000 0.852 382 G HN 1.230 nan 8.290 nan 0.000 0.530 383 A N -0.309 122.510 122.820 -0.001 0.000 2.540 383 A HA 0.769 5.089 4.320 -0.000 0.000 0.291 383 A C 0.626 178.209 177.584 -0.002 0.000 1.083 383 A CA 0.358 52.394 52.037 -0.002 0.000 0.650 383 A CB 0.452 19.451 19.000 -0.002 0.000 1.292 383 A HN 1.769 nan 8.150 nan 0.000 0.435 384 A N -0.586 122.233 122.820 -0.002 0.000 1.984 384 A HA 0.488 4.808 4.320 -0.000 0.000 0.214 384 A C 1.137 178.720 177.584 -0.002 0.000 1.173 384 A CA 2.107 54.143 52.037 -0.002 0.000 0.673 384 A CB -0.376 18.623 19.000 -0.002 0.000 0.830 384 A HN 2.087 nan 8.150 nan 0.000 0.453 385 T N -4.361 110.192 114.554 -0.002 0.000 2.906 385 T HA 0.463 4.812 4.350 -0.000 0.000 0.295 385 T C 0.439 175.138 174.700 -0.002 0.000 1.075 385 T CA 0.080 62.179 62.100 -0.002 0.000 1.005 385 T CB 1.877 70.743 68.868 -0.002 0.000 1.136 385 T HN 0.222 nan 8.240 nan 0.000 0.498 386 E N 0.328 120.526 120.200 -0.002 0.000 2.114 386 E HA -0.197 4.153 4.350 -0.000 0.000 0.199 386 E C 1.778 178.376 176.600 -0.002 0.000 1.008 386 E CA 2.032 58.431 56.400 -0.003 0.000 0.810 386 E CB -0.285 29.414 29.700 -0.003 0.000 0.739 386 E HN 0.558 nan 8.360 nan 0.000 0.456 387 V N 0.678 120.591 119.914 -0.002 0.000 2.358 387 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 387 V C 2.123 178.216 176.094 -0.002 0.000 1.047 387 V CA 2.146 64.444 62.300 -0.002 0.000 1.035 387 V CB -0.554 31.267 31.823 -0.002 0.000 0.658 387 V HN 0.259 nan 8.190 nan 0.000 0.452 388 E N -0.628 119.571 120.200 -0.002 0.000 2.204 388 E HA -0.158 4.191 4.350 -0.000 0.000 0.194 388 E C 2.145 178.744 176.600 -0.002 0.000 0.989 388 E CA 0.948 57.347 56.400 -0.002 0.000 0.824 388 E CB -0.097 29.601 29.700 -0.002 0.000 0.756 388 E HN 0.451 nan 8.360 nan 0.000 0.477 389 M N 0.703 120.302 119.600 -0.002 0.000 2.160 389 M HA -0.119 4.361 4.480 -0.000 0.000 0.264 389 M C 1.549 177.848 176.300 -0.002 0.000 1.073 389 M CA 1.296 56.595 55.300 -0.002 0.000 1.142 389 M CB 0.020 32.618 32.600 -0.002 0.000 1.358 389 M HN -0.121 nan 8.290 nan 0.000 0.422 390 K N 0.430 120.829 120.400 -0.002 0.000 2.152 390 K HA -0.190 4.130 4.320 -0.000 0.000 0.206 390 K C 1.806 178.405 176.600 -0.002 0.000 1.048 390 K CA 1.295 57.581 56.287 -0.002 0.000 0.933 390 K CB -0.565 31.933 32.500 -0.003 0.000 0.721 390 K HN 0.580 nan 8.250 nan 0.000 0.447 391 E N 1.279 121.478 120.200 -0.003 0.000 2.051 391 E HA -0.134 4.216 4.350 -0.000 0.000 0.189 391 E C 2.074 178.673 176.600 -0.002 0.000 0.979 391 E CA 0.773 57.171 56.400 -0.003 0.000 0.803 391 E CB 0.145 29.843 29.700 -0.003 0.000 0.761 391 E HN 0.161 nan 8.360 nan 0.000 0.451 392 K N 1.142 121.541 120.400 -0.001 0.000 2.057 392 K HA -0.206 4.114 4.320 -0.000 0.000 0.207 392 K C 2.322 178.923 176.600 0.001 0.000 1.049 392 K CA 1.501 57.788 56.287 -0.000 0.000 0.931 392 K CB -0.082 32.418 32.500 -0.000 0.000 0.714 392 K HN -0.061 nan 8.250 nan 0.000 0.440 393 K N 0.238 120.639 120.400 0.001 0.000 2.044 393 K HA -0.203 4.117 4.320 -0.000 0.000 0.210 393 K C 1.954 178.556 176.600 0.003 0.000 1.049 393 K CA 1.596 57.884 56.287 0.002 0.000 0.927 393 K CB -0.251 32.250 32.500 0.001 0.000 0.713 393 K HN 0.226 nan 8.250 nan 0.000 0.443 394 A N 1.266 124.086 122.820 -0.000 0.000 1.933 394 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 394 A C 2.150 179.734 177.584 -0.000 0.000 1.175 394 A CA 1.449 53.484 52.037 -0.002 0.000 0.628 394 A CB -0.472 18.525 19.000 -0.006 0.000 0.814 394 A HN 0.350 nan 8.150 nan 0.000 0.444 395 R N -0.761 119.740 120.500 0.001 0.000 2.075 395 R HA -0.071 4.269 4.340 -0.000 0.000 0.232 395 R C 2.062 178.368 176.300 0.009 0.000 1.126 395 R CA 1.457 57.559 56.100 0.003 0.000 0.963 395 R CB -0.407 29.894 30.300 0.001 0.000 0.858 395 R HN 0.401 nan 8.270 nan 0.000 0.435 396 V N 0.929 120.848 119.914 0.009 0.000 2.343 396 V HA -0.242 3.877 4.120 -0.000 0.000 0.247 396 V C 1.969 178.077 176.094 0.022 0.000 1.051 396 V CA 1.816 64.124 62.300 0.013 0.000 1.036 396 V CB -0.416 31.413 31.823 0.010 0.000 0.654 396 V HN 0.361 nan 8.190 nan 0.000 0.451 397 E N -0.157 120.056 120.200 0.021 0.000 2.058 397 E HA -0.244 4.106 4.350 -0.000 0.000 0.194 397 E C 2.063 178.695 176.600 0.053 0.000 0.997 397 E CA 1.591 58.011 56.400 0.033 0.000 0.801 397 E CB -0.155 29.556 29.700 0.019 0.000 0.746 397 E HN 0.579 nan 8.360 nan 0.000 0.450 398 D N -0.095 120.323 120.400 0.030 0.000 2.117 398 D HA -0.130 4.510 4.640 -0.000 0.000 0.197 398 D C 1.859 178.198 176.300 0.065 0.000 0.987 398 D CA 1.260 55.279 54.000 0.031 0.000 0.829 398 D CB -0.209 40.591 40.800 0.000 0.000 0.961 398 D HN 0.170 nan 8.370 nan 0.000 0.460 399 A N 0.755 123.602 122.820 0.044 0.000 1.933 399 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 399 A C 2.170 179.784 177.584 0.050 0.000 1.175 399 A CA 0.974 53.035 52.037 0.041 0.000 0.628 399 A CB -0.621 18.393 19.000 0.024 0.000 0.814 399 A HN 0.246 nan 8.150 nan 0.000 0.444 400 L N -0.879 120.377 121.223 0.054 0.000 2.005 400 L HA -0.172 4.167 4.340 -0.000 0.000 0.207 400 L C 2.392 179.294 176.870 0.053 0.000 1.072 400 L CA 2.659 57.525 54.840 0.044 0.000 0.744 400 L CB -0.887 41.195 42.059 0.039 0.000 0.895 400 L HN 0.599 nan 8.230 nan 0.000 0.433 401 H N -0.105 118.965 119.070 -0.000 0.000 2.321 401 H HA -0.213 4.343 4.556 -0.001 0.000 0.295 401 H C 1.930 177.259 175.328 0.003 0.000 1.102 401 H CA 2.037 58.085 56.048 0.001 0.000 1.266 401 H CB 0.035 29.797 29.762 0.000 0.000 1.363 401 H HN 0.514 nan 8.280 nan 0.000 0.492 402 A N -0.245 122.674 122.820 0.164 0.000 1.902 402 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 402 A C 2.689 180.287 177.584 0.022 0.000 1.181 402 A CA 2.055 54.150 52.037 0.097 0.000 0.623 402 A CB -0.905 18.146 19.000 0.085 0.000 0.818 402 A HN 0.531 nan 8.150 nan 0.000 0.443 403 T N -0.690 113.871 114.554 0.013 0.000 2.777 403 T HA -0.108 4.242 4.350 -0.000 0.000 0.266 403 T C 2.158 176.844 174.700 -0.024 0.000 1.040 403 T CA 1.227 63.326 62.100 -0.002 0.000 1.141 403 T CB -0.234 68.635 68.868 0.003 0.000 0.868 403 T HN 0.300 nan 8.240 nan 0.000 0.444 404 R N 1.675 122.143 120.500 -0.053 0.000 2.083 404 R HA 0.048 4.387 4.340 -0.000 0.000 0.237 404 R C 2.558 178.810 176.300 -0.080 0.000 1.137 404 R CA 1.899 57.952 56.100 -0.079 0.000 0.951 404 R CB -1.176 29.043 30.300 -0.135 0.000 0.851 404 R HN 0.422 nan 8.270 nan 0.000 0.434 405 A N 0.378 123.139 122.820 -0.098 0.000 1.902 405 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 405 A C 2.385 179.954 177.584 -0.024 0.000 1.181 405 A CA 2.106 54.105 52.037 -0.062 0.000 0.623 405 A CB -0.838 18.139 19.000 -0.039 0.000 0.818 405 A HN 0.432 nan 8.150 nan 0.000 0.443 406 A N -0.712 122.100 122.820 -0.013 0.000 1.940 406 A HA -0.022 4.297 4.320 -0.000 0.000 0.219 406 A C 2.225 179.805 177.584 -0.006 0.000 1.176 406 A CA 1.807 53.843 52.037 -0.003 0.000 0.631 406 A CB -0.891 18.110 19.000 0.002 0.000 0.814 406 A HN 0.399 nan 8.150 nan 0.000 0.446 407 V N -0.012 119.894 119.914 -0.013 0.000 2.427 407 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 407 V C 2.396 178.483 176.094 -0.011 0.000 1.051 407 V CA 2.294 64.587 62.300 -0.012 0.000 1.048 407 V CB -0.705 31.109 31.823 -0.015 0.000 0.666 407 V HN 0.659 nan 8.190 nan 0.000 0.456 408 E N -0.437 119.753 120.200 -0.015 0.000 2.106 408 E HA -0.160 4.189 4.350 -0.000 0.000 0.192 408 E C 1.685 178.283 176.600 -0.004 0.000 0.984 408 E CA 1.324 57.717 56.400 -0.011 0.000 0.806 408 E CB 0.052 29.743 29.700 -0.016 0.000 0.750 408 E HN 0.657 nan 8.360 nan 0.000 0.458 409 E N -1.116 119.083 120.200 -0.002 0.000 2.702 409 E HA 0.215 4.565 4.350 -0.000 0.000 0.225 409 E C 0.216 176.819 176.600 0.005 0.000 0.942 409 E CA 0.149 56.551 56.400 0.002 0.000 1.210 409 E CB 1.774 31.477 29.700 0.005 0.000 1.143 409 E HN 0.203 nan 8.360 nan 0.000 0.544 410 G N 1.244 110.047 108.800 0.004 0.000 2.660 410 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.247 410 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.247 410 G C -0.483 174.423 174.900 0.009 0.000 1.328 410 G CA -0.525 44.578 45.100 0.006 0.000 0.884 410 G HN 0.463 nan 8.290 nan 0.000 0.531 411 V N -2.577 117.343 119.914 0.011 0.000 2.914 411 V HA 0.983 5.103 4.120 -0.000 0.000 0.314 411 V C 0.609 176.712 176.094 0.015 0.000 1.084 411 V CA 0.025 62.333 62.300 0.013 0.000 0.963 411 V CB 1.232 33.063 31.823 0.013 0.000 1.025 411 V HN 2.435 nan 8.190 nan 0.000 0.432 412 V N -0.533 119.391 119.914 0.017 0.000 3.160 412 V HA 1.020 5.140 4.120 -0.000 0.000 0.310 412 V C 0.469 176.575 176.094 0.020 0.000 1.181 412 V CA -0.696 61.616 62.300 0.020 0.000 1.047 412 V CB 1.277 33.113 31.823 0.021 0.000 1.068 412 V HN 2.001 nan 8.190 nan 0.000 0.441 413 A N 0.667 123.501 122.820 0.024 0.000 2.540 413 A HA 0.650 4.970 4.320 -0.000 0.000 0.239 413 A C 0.840 178.437 177.584 0.021 0.000 1.061 413 A CA 0.665 52.716 52.037 0.023 0.000 0.758 413 A CB -0.426 18.593 19.000 0.031 0.000 0.991 413 A HN 1.972 nan 8.150 nan 0.000 0.502 414 G N 0.212 109.020 108.800 0.014 0.000 2.509 414 G HA2 0.527 4.486 3.960 -0.000 0.000 0.269 414 G HA3 0.527 4.486 3.960 -0.000 0.000 0.269 414 G C 1.085 175.993 174.900 0.014 0.000 1.416 414 G CA -0.065 45.042 45.100 0.012 0.000 1.052 414 G HN 2.246 nan 8.290 nan 0.000 0.542 415 G N -1.911 106.897 108.800 0.013 0.000 2.258 415 G HA2 0.206 4.166 3.960 -0.000 0.000 0.274 415 G HA3 0.206 4.166 3.960 -0.000 0.000 0.274 415 G C 1.515 176.435 174.900 0.033 0.000 1.021 415 G CA 1.237 46.350 45.100 0.022 0.000 0.798 415 G HN 2.455 nan 8.290 nan 0.000 0.507 416 G N -2.433 106.384 108.800 0.029 0.000 2.196 416 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.268 416 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.268 416 G C 1.918 176.839 174.900 0.035 0.000 0.975 416 G CA 1.913 47.031 45.100 0.030 0.000 0.648 416 G HN 2.158 nan 8.290 nan 0.000 0.538 417 V N -0.050 119.887 119.914 0.038 0.000 2.358 417 V HA 0.188 4.307 4.120 -0.000 0.000 0.246 417 V C 2.908 179.027 176.094 0.043 0.000 1.047 417 V CA 2.587 64.914 62.300 0.045 0.000 1.035 417 V CB -0.757 31.098 31.823 0.054 0.000 0.658 417 V HN 1.484 nan 8.190 nan 0.000 0.452 418 A N 0.453 123.295 122.820 0.036 0.000 1.892 418 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 418 A C 2.244 179.846 177.584 0.030 0.000 1.188 418 A CA 2.550 54.606 52.037 0.032 0.000 0.631 418 A CB -0.848 18.168 19.000 0.027 0.000 0.822 418 A HN 0.640 nan 8.150 nan 0.000 0.447 419 L N -1.071 120.169 121.223 0.028 0.000 2.093 419 L HA -0.116 4.223 4.340 -0.000 0.000 0.208 419 L C 2.517 179.403 176.870 0.026 0.000 1.085 419 L CA 1.052 55.907 54.840 0.025 0.000 0.755 419 L CB -0.381 41.692 42.059 0.023 0.000 0.904 419 L HN 0.386 nan 8.230 nan 0.000 0.435 420 I N -0.730 119.859 120.570 0.032 0.000 2.286 420 I HA -0.259 3.911 4.170 -0.000 0.000 0.248 420 I C 2.709 178.848 176.117 0.037 0.000 1.115 420 I CA 0.911 62.232 61.300 0.035 0.000 1.392 420 I CB -0.113 37.913 38.000 0.043 0.000 1.065 420 I HN 0.237 nan 8.210 nan 0.000 0.418 421 R N -0.029 120.496 120.500 0.040 0.000 2.090 421 R HA -0.043 4.296 4.340 -0.000 0.000 0.228 421 R C 2.199 178.516 176.300 0.029 0.000 1.110 421 R CA 0.941 57.064 56.100 0.040 0.000 0.973 421 R CB -0.878 29.448 30.300 0.043 0.000 0.869 421 R HN 0.248 nan 8.270 nan 0.000 0.440 422 V N 1.245 121.174 119.914 0.025 0.000 2.343 422 V HA -0.210 3.910 4.120 -0.000 0.000 0.247 422 V C 2.499 178.603 176.094 0.017 0.000 1.051 422 V CA 1.861 64.172 62.300 0.019 0.000 1.036 422 V CB -0.814 31.019 31.823 0.016 0.000 0.654 422 V HN 0.298 nan 8.190 nan 0.000 0.451 423 A N 0.696 123.527 122.820 0.018 0.000 1.933 423 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 423 A C 2.531 180.124 177.584 0.015 0.000 1.175 423 A CA 2.313 54.360 52.037 0.015 0.000 0.628 423 A CB -0.736 18.274 19.000 0.016 0.000 0.814 423 A HN 0.694 nan 8.150 nan 0.000 0.444 424 S N -0.235 115.476 115.700 0.018 0.000 2.428 424 S HA -0.101 4.369 4.470 -0.000 0.000 0.230 424 S C 1.679 176.287 174.600 0.013 0.000 1.014 424 S CA 1.283 59.493 58.200 0.016 0.000 0.957 424 S CB -0.343 62.869 63.200 0.020 0.000 0.784 424 S HN 0.585 nan 8.310 nan 0.000 0.499 425 K N 0.751 121.159 120.400 0.014 0.000 2.442 425 K HA 0.182 4.502 4.320 -0.000 0.000 0.198 425 K C 1.016 177.621 176.600 0.008 0.000 1.042 425 K CA 0.661 56.954 56.287 0.011 0.000 0.958 425 K CB -0.240 32.267 32.500 0.011 0.000 0.766 425 K HN 0.448 nan 8.250 nan 0.000 0.474 426 L N -0.461 120.767 121.223 0.008 0.000 2.769 426 L HA 0.207 4.546 4.340 -0.000 0.000 0.240 426 L C 1.831 178.704 176.870 0.005 0.000 1.163 426 L CA -0.165 54.679 54.840 0.006 0.000 0.962 426 L CB 0.015 42.078 42.059 0.006 0.000 1.258 426 L HN 0.043 nan 8.230 nan 0.000 0.513 427 A N 0.419 123.242 122.820 0.006 0.000 1.997 427 A HA -0.230 4.089 4.320 -0.000 0.000 0.221 427 A C 1.642 179.228 177.584 0.003 0.000 1.172 427 A CA 1.975 54.015 52.037 0.005 0.000 0.645 427 A CB -0.236 18.767 19.000 0.005 0.000 0.813 427 A HN 0.368 nan 8.150 nan 0.000 0.454 428 D N -1.290 119.112 120.400 0.003 0.000 2.350 428 D HA 0.146 4.786 4.640 -0.000 0.000 0.213 428 D C 0.441 176.742 176.300 0.002 0.000 1.031 428 D CA -0.203 53.798 54.000 0.002 0.000 0.861 428 D CB -0.184 40.617 40.800 0.002 0.000 0.926 428 D HN 0.367 nan 8.370 nan 0.000 0.520 429 L N 1.641 122.866 121.223 0.002 0.000 2.514 429 L HA 0.076 4.416 4.340 -0.000 0.000 0.280 429 L C 0.067 176.938 176.870 0.001 0.000 1.223 429 L CA 0.701 55.542 54.840 0.002 0.000 0.864 429 L CB 0.213 42.273 42.059 0.002 0.000 1.118 429 L HN -0.210 nan 8.230 nan 0.000 0.494 430 R N 2.877 123.377 120.500 0.001 0.000 2.707 430 R HA 0.659 4.998 4.340 -0.000 0.000 0.272 430 R C -0.266 176.035 176.300 0.000 0.000 1.011 430 R CA -0.252 55.849 56.100 0.001 0.000 0.893 430 R CB 1.471 31.772 30.300 0.001 0.000 1.233 430 R HN 0.827 nan 8.270 nan 0.000 0.464 431 G N -0.183 108.617 108.800 0.000 0.000 3.122 431 G HA2 0.238 4.197 3.960 -0.000 0.000 0.180 431 G HA3 0.238 4.197 3.960 -0.000 0.000 0.180 431 G C -0.052 174.848 174.900 0.000 0.000 1.279 431 G CA -0.237 44.863 45.100 0.000 0.000 0.987 431 G HN 0.397 nan 8.290 nan 0.000 0.589 432 Q N -0.359 119.441 119.800 0.000 0.000 2.424 432 Q HA 0.164 4.504 4.340 -0.000 0.000 0.204 432 Q C 0.077 176.078 176.000 0.001 0.000 0.933 432 Q CA 0.684 56.487 55.803 0.000 0.000 0.929 432 Q CB 0.157 28.895 28.738 0.000 0.000 1.037 432 Q HN 0.594 nan 8.270 nan 0.000 0.511 433 N N -2.955 115.745 118.700 0.001 0.000 3.106 433 N HA 0.166 4.905 4.740 -0.000 0.000 0.253 433 N C 0.217 175.728 175.510 0.001 0.000 1.506 433 N CA 0.105 53.156 53.050 0.001 0.000 0.876 433 N CB 0.125 38.613 38.487 0.001 0.000 1.452 433 N HN -0.170 nan 8.380 nan 0.000 0.542 434 E N -0.424 119.777 120.200 0.001 0.000 2.106 434 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 434 E C 0.877 177.478 176.600 0.002 0.000 0.984 434 E CA 1.872 58.273 56.400 0.001 0.000 0.806 434 E CB -1.062 28.638 29.700 0.001 0.000 0.750 434 E HN 0.642 nan 8.360 nan 0.000 0.458 435 D N 0.049 120.450 120.400 0.002 0.000 2.144 435 D HA -0.117 4.523 4.640 -0.000 0.000 0.199 435 D C 2.128 178.430 176.300 0.003 0.000 0.984 435 D CA 1.231 55.233 54.000 0.003 0.000 0.834 435 D CB -0.206 40.596 40.800 0.003 0.000 0.955 435 D HN 0.572 nan 8.370 nan 0.000 0.465 436 Q N -0.007 119.794 119.800 0.002 0.000 2.123 436 Q HA -0.073 4.267 4.340 -0.000 0.000 0.199 436 Q C 1.752 177.754 176.000 0.002 0.000 0.966 436 Q CA 0.656 56.460 55.803 0.002 0.000 0.845 436 Q CB 0.063 28.802 28.738 0.001 0.000 0.907 436 Q HN 0.216 nan 8.270 nan 0.000 0.439 437 N N 0.081 118.782 118.700 0.002 0.000 2.120 437 N HA -0.122 4.618 4.740 -0.000 0.000 0.188 437 N C 1.852 177.364 175.510 0.002 0.000 1.024 437 N CA 0.963 54.014 53.050 0.002 0.000 0.852 437 N CB -0.360 38.128 38.487 0.002 0.000 1.003 437 N HN 0.031 nan 8.380 nan 0.000 0.424 438 V N 0.981 120.896 119.914 0.003 0.000 2.332 438 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 438 V C 2.435 178.531 176.094 0.004 0.000 1.055 438 V CA 2.024 64.326 62.300 0.003 0.000 1.038 438 V CB -1.324 30.501 31.823 0.003 0.000 0.651 438 V HN 0.348 nan 8.190 nan 0.000 0.450 439 G N 0.098 108.900 108.800 0.004 0.000 2.491 439 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.218 439 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.218 439 G C 1.578 176.480 174.900 0.004 0.000 1.180 439 G CA 1.327 46.429 45.100 0.004 0.000 0.774 439 G HN 0.483 nan 8.290 nan 0.000 0.562 440 I N 0.484 121.056 120.570 0.003 0.000 2.151 440 I HA -0.203 3.967 4.170 -0.000 0.000 0.243 440 I C 2.715 178.834 176.117 0.004 0.000 1.080 440 I CA 1.335 62.637 61.300 0.003 0.000 1.339 440 I CB -0.073 37.928 38.000 0.002 0.000 1.039 440 I HN 0.004 nan 8.210 nan 0.000 0.409 441 K N 0.273 120.675 120.400 0.004 0.000 2.211 441 K HA -0.048 4.272 4.320 -0.000 0.000 0.203 441 K C 2.102 178.705 176.600 0.005 0.000 1.050 441 K CA 0.904 57.194 56.287 0.005 0.000 0.945 441 K CB -0.606 31.896 32.500 0.004 0.000 0.732 441 K HN 0.228 nan 8.250 nan 0.000 0.451 442 V N 1.489 121.406 119.914 0.006 0.000 2.295 442 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 442 V C 2.420 178.518 176.094 0.007 0.000 1.049 442 V CA 2.023 64.327 62.300 0.006 0.000 1.024 442 V CB -0.701 31.126 31.823 0.007 0.000 0.648 442 V HN 0.285 nan 8.190 nan 0.000 0.447 443 A N -0.311 122.513 122.820 0.007 0.000 1.898 443 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 443 A C 2.177 179.765 177.584 0.008 0.000 1.181 443 A CA 1.660 53.701 52.037 0.007 0.000 0.620 443 A CB -0.500 18.503 19.000 0.005 0.000 0.819 443 A HN 0.513 nan 8.150 nan 0.000 0.442 444 L N -1.330 119.898 121.223 0.007 0.000 2.046 444 L HA -0.168 4.171 4.340 -0.000 0.000 0.208 444 L C 2.794 179.670 176.870 0.010 0.000 1.077 444 L CA 1.757 56.602 54.840 0.009 0.000 0.747 444 L CB -0.568 41.495 42.059 0.008 0.000 0.896 444 L HN 0.401 nan 8.230 nan 0.000 0.432 445 R N 0.277 120.782 120.500 0.009 0.000 2.081 445 R HA -0.153 4.186 4.340 -0.000 0.000 0.235 445 R C 2.404 178.710 176.300 0.010 0.000 1.131 445 R CA 1.380 57.485 56.100 0.009 0.000 0.960 445 R CB -0.232 30.072 30.300 0.007 0.000 0.856 445 R HN 0.361 nan 8.270 nan 0.000 0.436 446 A N 0.514 123.341 122.820 0.011 0.000 1.933 446 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 446 A C 2.107 179.699 177.584 0.014 0.000 1.175 446 A CA 1.440 53.484 52.037 0.012 0.000 0.628 446 A CB -0.404 18.604 19.000 0.013 0.000 0.814 446 A HN 0.326 nan 8.150 nan 0.000 0.444 447 M N -0.460 119.148 119.600 0.014 0.000 2.358 447 M HA -0.153 4.327 4.480 -0.000 0.000 0.264 447 M C 1.539 177.850 176.300 0.018 0.000 1.064 447 M CA 1.262 56.572 55.300 0.016 0.000 1.093 447 M CB -0.329 32.280 32.600 0.016 0.000 1.401 447 M HN 0.503 nan 8.290 nan 0.000 0.440 448 E N 0.166 120.376 120.200 0.016 0.000 2.358 448 E HA -0.037 4.313 4.350 -0.000 0.000 0.195 448 E C 2.024 178.633 176.600 0.013 0.000 1.010 448 E CA 0.647 57.056 56.400 0.016 0.000 0.856 448 E CB -0.053 29.655 29.700 0.013 0.000 0.795 448 E HN 0.498 nan 8.360 nan 0.000 0.504 449 A N 2.349 125.177 122.820 0.013 0.000 1.933 449 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 449 A C -0.293 177.298 177.584 0.012 0.000 1.175 449 A CA 1.071 53.114 52.037 0.011 0.000 0.628 449 A CB -1.211 17.796 19.000 0.012 0.000 0.814 449 A HN 0.137 nan 8.150 nan 0.000 0.444 450 P HA -0.159 nan 4.420 nan 0.000 0.214 450 P C 1.833 179.144 177.300 0.018 0.000 1.163 450 P CA 0.926 64.036 63.100 0.017 0.000 0.883 450 P CB -0.141 31.572 31.700 0.021 0.000 0.788 451 L N -0.538 120.697 121.223 0.020 0.000 2.021 451 L HA -0.266 4.074 4.340 -0.000 0.000 0.215 451 L C 2.463 179.336 176.870 0.006 0.000 1.074 451 L CA 1.932 56.785 54.840 0.020 0.000 0.760 451 L CB -0.362 41.711 42.059 0.024 0.000 0.889 451 L HN -0.166 nan 8.230 nan 0.000 0.433 452 R N -0.901 119.599 120.500 -0.000 0.000 2.083 452 R HA -0.243 4.097 4.340 -0.000 0.000 0.237 452 R C 2.341 178.636 176.300 -0.007 0.000 1.137 452 R CA 1.802 57.896 56.100 -0.011 0.000 0.951 452 R CB -0.432 29.863 30.300 -0.007 0.000 0.851 452 R HN 0.413 nan 8.270 nan 0.000 0.434 453 Q N 1.070 120.871 119.800 0.002 0.000 2.119 453 Q HA -0.073 4.267 4.340 -0.000 0.000 0.201 453 Q C 1.839 177.844 176.000 0.009 0.000 0.972 453 Q CA 1.437 57.243 55.803 0.004 0.000 0.847 453 Q CB -0.121 28.621 28.738 0.007 0.000 0.903 453 Q HN 0.351 nan 8.270 nan 0.000 0.433 454 I N -0.791 119.788 120.570 0.016 0.000 2.208 454 I HA -0.274 3.895 4.170 -0.000 0.000 0.245 454 I C 1.961 178.100 176.117 0.037 0.000 1.097 454 I CA 0.912 62.229 61.300 0.028 0.000 1.363 454 I CB -0.213 37.812 38.000 0.041 0.000 1.051 454 I HN 0.082 nan 8.210 nan 0.000 0.413 455 V N 0.297 120.221 119.914 0.016 0.000 2.379 455 V HA -0.247 3.873 4.120 -0.000 0.000 0.245 455 V C 2.356 178.446 176.094 -0.006 0.000 1.044 455 V CA 1.311 63.606 62.300 -0.009 0.000 1.036 455 V CB -0.447 31.301 31.823 -0.125 0.000 0.664 455 V HN 0.311 nan 8.190 nan 0.000 0.453 456 L N 1.016 122.233 121.223 -0.011 0.000 2.051 456 L HA -0.232 4.108 4.340 -0.000 0.000 0.214 456 L C 2.178 179.050 176.870 0.005 0.000 1.076 456 L CA 2.088 56.925 54.840 -0.005 0.000 0.758 456 L CB -0.914 41.142 42.059 -0.005 0.000 0.890 456 L HN 0.348 nan 8.230 nan 0.000 0.433 457 N N -1.422 117.284 118.700 0.010 0.000 2.309 457 N HA -0.145 4.595 4.740 -0.000 0.000 0.182 457 N C 1.789 177.308 175.510 0.016 0.000 1.018 457 N CA 1.524 54.580 53.050 0.011 0.000 0.876 457 N CB -0.720 37.773 38.487 0.011 0.000 0.972 457 N HN 0.434 nan 8.380 nan 0.000 0.434 458 C N -0.645 118.672 119.300 0.029 0.000 2.456 458 C HA 0.168 4.628 4.460 -0.000 0.000 0.279 458 C C 1.760 176.768 174.990 0.029 0.000 1.427 458 C CA 0.592 59.633 59.018 0.039 0.000 1.778 458 C CB -1.228 26.565 27.740 0.090 0.000 1.842 458 C HN 0.637 nan 8.230 nan 0.000 0.531 459 G N 0.536 109.347 108.800 0.018 0.000 2.136 459 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.242 459 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.242 459 G C -0.163 174.744 174.900 0.011 0.000 0.989 459 G CA 0.248 45.355 45.100 0.012 0.000 0.682 459 G HN 0.498 nan 8.290 nan 0.000 0.522 460 E N 0.246 120.450 120.200 0.007 0.000 2.302 460 E HA 0.448 4.798 4.350 -0.000 0.000 0.255 460 E C 0.275 176.853 176.600 -0.037 0.000 1.099 460 E CA -0.639 55.753 56.400 -0.013 0.000 0.929 460 E CB 0.531 30.215 29.700 -0.027 0.000 1.203 460 E HN 0.513 nan 8.360 nan 0.000 0.459 461 E N 1.616 121.786 120.200 -0.050 0.000 2.044 461 E HA 0.135 4.485 4.350 -0.000 0.000 0.282 461 E C -1.729 174.829 176.600 -0.069 0.000 1.031 461 E CA -1.668 54.706 56.400 -0.044 0.000 0.824 461 E CB 0.979 30.664 29.700 -0.025 0.000 1.076 461 E HN 0.114 nan 8.360 nan 0.000 0.395 462 P HA -0.180 nan 4.420 nan 0.000 0.216 462 P C 1.192 178.463 177.300 -0.048 0.000 1.153 462 P CA 1.159 64.222 63.100 -0.061 0.000 0.858 462 P CB 0.333 32.013 31.700 -0.034 0.000 0.789 463 S N -1.242 114.440 115.700 -0.030 0.000 2.406 463 S HA -0.059 4.411 4.470 -0.000 0.000 0.228 463 S C 1.903 176.494 174.600 -0.014 0.000 1.020 463 S CA 0.743 58.933 58.200 -0.017 0.000 0.965 463 S CB -0.865 62.329 63.200 -0.010 0.000 0.798 463 S HN -0.066 nan 8.310 nan 0.000 0.488 464 V N 1.077 120.979 119.914 -0.020 0.000 2.323 464 V HA -0.088 4.031 4.120 -0.000 0.000 0.244 464 V C 2.249 178.345 176.094 0.003 0.000 1.041 464 V CA 1.323 63.620 62.300 -0.006 0.000 1.025 464 V CB -0.571 31.252 31.823 -0.001 0.000 0.656 464 V HN 0.325 nan 8.190 nan 0.000 0.451 465 V N 0.369 120.252 119.914 -0.050 0.000 2.358 465 V HA -0.207 3.912 4.120 -0.000 0.000 0.246 465 V C 2.715 178.817 176.094 0.013 0.000 1.047 465 V CA 1.843 64.107 62.300 -0.061 0.000 1.035 465 V CB -1.112 30.479 31.823 -0.386 0.000 0.658 465 V HN 0.540 nan 8.190 nan 0.000 0.452 466 A N 0.492 123.303 122.820 -0.014 0.000 1.908 466 A HA -0.315 4.005 4.320 -0.000 0.000 0.218 466 A C 2.070 179.675 177.584 0.035 0.000 1.181 466 A CA 2.485 54.531 52.037 0.015 0.000 0.627 466 A CB -0.893 18.108 19.000 0.002 0.000 0.818 466 A HN 0.620 nan 8.150 nan 0.000 0.445 467 N N -0.891 117.823 118.700 0.023 0.000 2.120 467 N HA -0.116 4.623 4.740 -0.000 0.000 0.188 467 N C 1.684 177.212 175.510 0.029 0.000 1.024 467 N CA 2.215 55.277 53.050 0.020 0.000 0.852 467 N CB -0.272 38.220 38.487 0.008 0.000 1.003 467 N HN 0.407 nan 8.380 nan 0.000 0.424 468 T N -0.602 113.973 114.554 0.035 0.000 2.777 468 T HA -0.050 4.299 4.350 -0.000 0.000 0.266 468 T C 1.953 176.728 174.700 0.125 0.000 1.040 468 T CA 1.104 63.207 62.100 0.006 0.000 1.141 468 T CB -0.368 68.422 68.868 -0.130 0.000 0.868 468 T HN 0.005 nan 8.240 nan 0.000 0.444 469 V N 1.701 121.728 119.914 0.189 0.000 2.295 469 V HA -0.185 3.935 4.120 -0.000 0.000 0.246 469 V C 2.482 178.692 176.094 0.194 0.000 1.049 469 V CA 1.570 64.016 62.300 0.244 0.000 1.024 469 V CB -0.491 31.437 31.823 0.175 0.000 0.648 469 V HN 0.463 nan 8.190 nan 0.000 0.447 470 K N 0.208 120.674 120.400 0.110 0.000 2.147 470 K HA -0.107 4.213 4.320 -0.000 0.000 0.205 470 K C 2.109 178.742 176.600 0.054 0.000 1.049 470 K CA 1.376 57.707 56.287 0.073 0.000 0.936 470 K CB -0.527 31.999 32.500 0.044 0.000 0.722 470 K HN 0.576 nan 8.250 nan 0.000 0.446 471 G N 0.869 109.692 108.800 0.039 0.000 2.598 471 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.215 471 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.215 471 G C 0.715 175.585 174.900 -0.050 0.000 1.131 471 G CA 0.497 45.592 45.100 -0.009 0.000 0.785 471 G HN 0.340 nan 8.290 nan 0.000 0.539 472 G N -0.217 108.574 108.800 -0.015 0.000 2.543 472 G HA2 0.527 4.487 3.960 -0.000 0.000 0.267 472 G HA3 0.527 4.487 3.960 -0.000 0.000 0.267 472 G C -0.675 174.219 174.900 -0.010 0.000 1.406 472 G CA 0.083 45.090 45.100 -0.156 0.000 1.048 472 G HN 0.377 nan 8.290 nan 0.000 0.548 473 D N -3.896 116.510 120.400 0.011 0.000 2.759 473 D HA 0.539 5.178 4.640 -0.000 0.000 0.321 473 D C 0.670 177.026 176.300 0.094 0.000 1.267 473 D CA 0.290 54.326 54.000 0.060 0.000 0.933 473 D CB 0.338 41.150 40.800 0.019 0.000 1.431 473 D HN 1.436 nan 8.370 nan 0.000 0.504 474 G N 0.257 109.100 108.800 0.071 0.000 2.611 474 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.301 474 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.301 474 G C 0.229 175.190 174.900 0.100 0.000 1.233 474 G CA 0.555 45.697 45.100 0.071 0.000 0.993 474 G HN 0.778 nan 8.290 nan 0.000 0.553 475 N N 0.019 118.781 118.700 0.103 0.000 2.362 475 N HA 0.273 5.013 4.740 -0.000 0.000 0.204 475 N C 0.284 175.882 175.510 0.147 0.000 1.166 475 N CA -0.063 53.048 53.050 0.102 0.000 0.831 475 N CB 0.144 38.674 38.487 0.071 0.000 1.008 475 N HN 0.498 nan 8.380 nan 0.000 0.472 476 Y N 1.178 121.512 120.300 0.057 0.000 2.411 476 Y HA 0.417 4.967 4.550 -0.001 0.000 0.333 476 Y C 0.744 176.717 175.900 0.121 0.000 1.186 476 Y CA 0.329 58.479 58.100 0.083 0.000 1.381 476 Y CB 0.386 38.886 38.460 0.065 0.000 1.273 476 Y HN 0.034 nan 8.280 nan 0.000 0.546 477 G N 3.409 111.990 108.800 -0.366 0.000 2.490 477 G HA2 0.200 4.160 3.960 -0.000 0.000 0.308 477 G HA3 0.200 4.160 3.960 -0.000 0.000 0.308 477 G C -2.518 172.308 174.900 -0.123 0.000 1.286 477 G CA -0.988 44.012 45.100 -0.166 0.000 0.825 477 G HN 0.577 nan 8.290 nan 0.000 0.479 478 Y N 1.710 121.887 120.300 -0.205 0.000 2.331 478 Y HA 0.604 5.153 4.550 -0.000 0.000 0.338 478 Y C -0.006 175.745 175.900 -0.249 0.000 0.976 478 Y CA -1.344 56.543 58.100 -0.355 0.000 1.137 478 Y CB 1.428 39.667 38.460 -0.368 0.000 1.172 478 Y HN 0.444 nan 8.280 nan 0.000 0.478 479 N N 4.587 122.896 118.700 -0.653 0.000 2.406 479 N HA 0.193 4.932 4.740 -0.000 0.000 0.251 479 N C 0.196 175.271 175.510 -0.725 0.000 1.069 479 N CA 0.505 53.250 53.050 -0.509 0.000 0.947 479 N CB 1.482 39.763 38.487 -0.344 0.000 1.111 479 N HN 0.877 nan 8.380 nan 0.000 0.497 480 A N 3.492 126.057 122.820 -0.425 0.000 2.123 480 A HA 0.164 4.484 4.320 -0.000 0.000 0.214 480 A C 1.909 179.370 177.584 -0.206 0.000 1.152 480 A CA 1.026 52.883 52.037 -0.299 0.000 0.728 480 A CB -0.216 18.762 19.000 -0.035 0.000 0.814 480 A HN 0.702 nan 8.150 nan 0.000 0.464 481 A N 0.002 122.709 122.820 -0.188 0.000 1.872 481 A HA -0.046 4.274 4.320 -0.000 0.000 0.214 481 A C 2.318 179.817 177.584 -0.142 0.000 1.187 481 A CA 2.214 54.174 52.037 -0.128 0.000 0.614 481 A CB -0.946 17.995 19.000 -0.099 0.000 0.826 481 A HN 0.681 nan 8.150 nan 0.000 0.442 482 T N -3.616 110.821 114.554 -0.195 0.000 3.044 482 T HA 0.212 4.561 4.350 -0.000 0.000 0.250 482 T C 0.307 174.876 174.700 -0.218 0.000 1.081 482 T CA 0.682 62.680 62.100 -0.171 0.000 1.040 482 T CB -0.226 68.551 68.868 -0.152 0.000 0.962 482 T HN 0.569 nan 8.240 nan 0.000 0.506 483 E N 1.123 121.094 120.200 -0.381 0.000 2.513 483 E HA -0.133 4.217 4.350 -0.000 0.000 0.257 483 E C -0.781 175.575 176.600 -0.408 0.000 1.098 483 E CA 0.512 56.639 56.400 -0.455 0.000 0.752 483 E CB -1.071 28.563 29.700 -0.110 0.000 1.324 483 E HN 0.673 nan 8.360 nan 0.000 0.403 484 E N -0.426 119.472 120.200 -0.503 0.000 2.299 484 E HA 0.422 4.772 4.350 -0.000 0.000 0.265 484 E C -0.388 175.972 176.600 -0.399 0.000 0.911 484 E CA -0.714 55.515 56.400 -0.285 0.000 0.789 484 E CB 0.934 30.561 29.700 -0.121 0.000 1.246 484 E HN 0.041 nan 8.360 nan 0.000 0.427 485 Y N -0.203 120.072 120.300 -0.041 0.000 2.316 485 Y HA 0.585 5.135 4.550 -0.000 0.000 0.324 485 Y C 1.173 177.016 175.900 -0.096 0.000 1.267 485 Y CA 0.512 58.547 58.100 -0.108 0.000 1.311 485 Y CB 1.648 40.085 38.460 -0.038 0.000 1.267 485 Y HN 0.680 nan 8.280 nan 0.000 0.516 486 G N 0.634 109.431 108.800 -0.005 0.000 2.323 486 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.291 486 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.291 486 G C -1.981 172.948 174.900 0.048 0.000 1.278 486 G CA -1.149 43.995 45.100 0.073 0.000 0.860 486 G HN 0.504 nan 8.290 nan 0.000 0.504 487 N N 1.018 119.766 118.700 0.081 0.000 2.414 487 N HA 0.176 4.916 4.740 -0.000 0.000 0.256 487 N C 1.594 177.121 175.510 0.028 0.000 1.029 487 N CA -0.577 52.519 53.050 0.077 0.000 0.948 487 N CB 0.963 39.500 38.487 0.083 0.000 1.102 487 N HN 0.361 nan 8.380 nan 0.000 0.496 488 M N 3.289 122.900 119.600 0.018 0.000 2.159 488 M HA -0.132 4.348 4.480 -0.000 0.000 0.263 488 M C 1.553 177.856 176.300 0.004 0.000 1.063 488 M CA 0.963 56.262 55.300 -0.002 0.000 1.110 488 M CB -0.574 32.027 32.600 0.001 0.000 1.374 488 M HN 0.525 nan 8.290 nan 0.000 0.411 489 I N 0.680 121.261 120.570 0.018 0.000 2.252 489 I HA -0.235 3.934 4.170 -0.000 0.000 0.245 489 I C 1.797 177.921 176.117 0.011 0.000 1.102 489 I CA 1.387 62.697 61.300 0.015 0.000 1.385 489 I CB -1.659 36.354 38.000 0.021 0.000 1.064 489 I HN 0.221 nan 8.210 nan 0.000 0.414 490 D N 0.293 120.702 120.400 0.016 0.000 2.219 490 D HA -0.094 4.546 4.640 -0.000 0.000 0.205 490 D C 2.152 178.453 176.300 0.002 0.000 0.970 490 D CA 0.928 54.936 54.000 0.012 0.000 0.851 490 D CB -0.091 40.721 40.800 0.020 0.000 0.943 490 D HN 0.338 nan 8.370 nan 0.000 0.488 491 M N -0.890 118.707 119.600 -0.005 0.000 2.495 491 M HA 0.181 4.661 4.480 -0.000 0.000 0.237 491 M C 0.884 177.171 176.300 -0.020 0.000 1.131 491 M CA 0.285 55.574 55.300 -0.020 0.000 1.032 491 M CB 0.735 33.312 32.600 -0.039 0.000 1.513 491 M HN 0.022 nan 8.290 nan 0.000 0.488 492 G N 2.242 111.035 108.800 -0.011 0.000 2.182 492 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.248 492 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.248 492 G C -0.130 174.762 174.900 -0.012 0.000 1.042 492 G CA -0.253 44.842 45.100 -0.009 0.000 0.775 492 G HN 0.520 nan 8.290 nan 0.000 0.501 493 I N 0.892 121.453 120.570 -0.014 0.000 2.460 493 I HA 0.458 4.628 4.170 -0.000 0.000 0.277 493 I C 0.339 176.454 176.117 -0.004 0.000 1.057 493 I CA -0.550 60.741 61.300 -0.015 0.000 1.179 493 I CB 0.676 38.658 38.000 -0.029 0.000 1.329 493 I HN -0.011 nan 8.210 nan 0.000 0.478 494 L N 4.564 125.788 121.223 0.002 0.000 2.354 494 L HA 0.640 4.980 4.340 -0.000 0.000 0.269 494 L C -0.973 175.905 176.870 0.013 0.000 1.005 494 L CA -0.901 53.945 54.840 0.009 0.000 0.819 494 L CB 2.190 44.254 42.059 0.010 0.000 1.311 494 L HN 0.336 nan 8.230 nan 0.000 0.423 495 D N 1.697 122.107 120.400 0.017 0.000 2.350 495 D HA 0.398 5.038 4.640 -0.000 0.000 0.245 495 D C -2.571 173.743 176.300 0.023 0.000 1.036 495 D CA -1.548 52.465 54.000 0.021 0.000 0.848 495 D CB 2.136 42.950 40.800 0.023 0.000 1.307 495 D HN 0.133 nan 8.370 nan 0.000 0.469 496 P HA 0.086 nan 4.420 nan 0.000 0.271 496 P C 0.807 178.121 177.300 0.024 0.000 1.226 496 P CA -0.045 63.069 63.100 0.024 0.000 0.765 496 P CB 0.561 32.278 31.700 0.029 0.000 0.835 497 T N 2.613 117.179 114.554 0.019 0.000 2.714 497 T HA -0.258 4.092 4.350 -0.000 0.000 0.268 497 T C 1.586 176.299 174.700 0.022 0.000 1.036 497 T CA 1.530 63.641 62.100 0.019 0.000 1.148 497 T CB -0.321 68.555 68.868 0.014 0.000 0.856 497 T HN 0.513 nan 8.240 nan 0.000 0.462 498 K N 0.786 121.200 120.400 0.023 0.000 2.097 498 K HA -0.082 4.238 4.320 -0.000 0.000 0.206 498 K C 2.457 179.085 176.600 0.047 0.000 1.049 498 K CA 1.349 57.654 56.287 0.029 0.000 0.933 498 K CB -0.337 32.176 32.500 0.023 0.000 0.717 498 K HN 0.339 nan 8.250 nan 0.000 0.442 499 V N 0.383 120.328 119.914 0.050 0.000 2.358 499 V HA -0.171 3.949 4.120 -0.000 0.000 0.246 499 V C 1.723 177.851 176.094 0.057 0.000 1.047 499 V CA 2.451 64.788 62.300 0.063 0.000 1.035 499 V CB -0.618 31.244 31.823 0.065 0.000 0.658 499 V HN 0.350 nan 8.190 nan 0.000 0.452 500 T N 0.551 115.131 114.554 0.043 0.000 2.746 500 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 500 T C 1.966 176.686 174.700 0.034 0.000 1.039 500 T CA 2.055 64.177 62.100 0.036 0.000 1.142 500 T CB -0.373 68.512 68.868 0.028 0.000 0.866 500 T HN 0.625 nan 8.240 nan 0.000 0.444 501 R N 0.968 121.484 120.500 0.027 0.000 2.066 501 R HA -0.073 4.267 4.340 -0.000 0.000 0.232 501 R C 2.552 178.858 176.300 0.009 0.000 1.131 501 R CA 1.722 57.828 56.100 0.010 0.000 0.955 501 R CB -0.413 29.888 30.300 0.002 0.000 0.851 501 R HN 0.229 nan 8.270 nan 0.000 0.432 502 S N 0.684 116.413 115.700 0.047 0.000 2.370 502 S HA -0.172 4.297 4.470 -0.000 0.000 0.226 502 S C 2.015 176.724 174.600 0.180 0.000 1.033 502 S CA 1.329 59.598 58.200 0.116 0.000 1.011 502 S CB -0.288 63.043 63.200 0.219 0.000 0.852 502 S HN 0.591 nan 8.310 nan 0.000 0.457 503 A N 1.215 124.113 122.820 0.130 0.000 1.873 503 A HA -0.013 4.307 4.320 -0.000 0.000 0.215 503 A C 2.134 179.775 177.584 0.095 0.000 1.186 503 A CA 1.342 53.454 52.037 0.124 0.000 0.616 503 A CB -0.703 18.344 19.000 0.078 0.000 0.823 503 A HN 0.410 nan 8.150 nan 0.000 0.442 504 L N -0.130 121.123 121.223 0.051 0.000 2.046 504 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 504 L C 2.476 179.344 176.870 -0.004 0.000 1.077 504 L CA 2.286 57.139 54.840 0.023 0.000 0.747 504 L CB -0.719 41.345 42.059 0.008 0.000 0.896 504 L HN 0.503 nan 8.230 nan 0.000 0.432 505 Q N -1.858 117.908 119.800 -0.058 0.000 2.079 505 Q HA -0.210 4.130 4.340 -0.000 0.000 0.200 505 Q C 2.145 178.032 176.000 -0.188 0.000 0.974 505 Q CA 1.967 57.668 55.803 -0.169 0.000 0.840 505 Q CB -0.280 28.279 28.738 -0.299 0.000 0.898 505 Q HN 0.527 nan 8.270 nan 0.000 0.430 506 Y N 0.079 120.383 120.300 0.007 0.000 2.263 506 Y HA -0.098 4.451 4.550 -0.000 0.000 0.292 506 Y C 2.333 178.236 175.900 0.005 0.000 1.130 506 Y CA 0.815 58.918 58.100 0.006 0.000 1.179 506 Y CB -0.529 37.935 38.460 0.006 0.000 0.998 506 Y HN 0.124 nan 8.280 nan 0.000 0.532 507 A N 0.143 123.055 122.820 0.154 0.000 1.883 507 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 507 A C 2.449 180.068 177.584 0.058 0.000 1.186 507 A CA 2.096 54.187 52.037 0.089 0.000 0.624 507 A CB -1.232 17.806 19.000 0.064 0.000 0.822 507 A HN 0.383 nan 8.150 nan 0.000 0.444 508 A N -1.003 121.837 122.820 0.033 0.000 1.968 508 A HA -0.026 4.294 4.320 -0.000 0.000 0.217 508 A C 2.461 180.054 177.584 0.015 0.000 1.169 508 A CA 2.032 54.077 52.037 0.014 0.000 0.638 508 A CB -0.822 18.174 19.000 -0.006 0.000 0.812 508 A HN 0.617 nan 8.150 nan 0.000 0.446 509 S N -0.479 115.231 115.700 0.018 0.000 2.355 509 S HA -0.118 4.352 4.470 -0.000 0.000 0.222 509 S C 1.872 176.502 174.600 0.050 0.000 1.031 509 S CA 1.758 59.974 58.200 0.026 0.000 0.993 509 S CB -0.433 62.786 63.200 0.033 0.000 0.859 509 S HN 0.280 nan 8.310 nan 0.000 0.453 510 V N 2.127 122.085 119.914 0.073 0.000 2.548 510 V HA 0.025 4.144 4.120 -0.000 0.000 0.249 510 V C 2.899 179.017 176.094 0.040 0.000 1.055 510 V CA 1.415 63.750 62.300 0.059 0.000 1.065 510 V CB -1.310 30.552 31.823 0.064 0.000 0.681 510 V HN 0.607 nan 8.190 nan 0.000 0.462 511 A N 0.883 123.725 122.820 0.037 0.000 1.877 511 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 511 A C 2.435 180.032 177.584 0.022 0.000 1.186 511 A CA 1.981 54.035 52.037 0.027 0.000 0.620 511 A CB -1.255 17.760 19.000 0.025 0.000 0.822 511 A HN 0.507 nan 8.150 nan 0.000 0.443 512 G N -0.108 108.704 108.800 0.020 0.000 2.440 512 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.218 512 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.218 512 G C 1.538 176.449 174.900 0.018 0.000 1.154 512 G CA 1.046 46.155 45.100 0.016 0.000 0.767 512 G HN 0.443 nan 8.290 nan 0.000 0.552 513 L N -0.279 120.957 121.223 0.021 0.000 2.081 513 L HA -0.127 4.213 4.340 -0.000 0.000 0.212 513 L C 3.094 179.976 176.870 0.020 0.000 1.080 513 L CA 1.246 56.098 54.840 0.021 0.000 0.754 513 L CB -0.314 41.759 42.059 0.024 0.000 0.893 513 L HN 0.256 nan 8.230 nan 0.000 0.433 514 M N -1.018 118.595 119.600 0.021 0.000 2.236 514 M HA -0.117 4.363 4.480 -0.000 0.000 0.266 514 M C 2.273 178.584 176.300 0.019 0.000 1.070 514 M CA 1.530 56.843 55.300 0.021 0.000 1.137 514 M CB -0.173 32.440 32.600 0.022 0.000 1.378 514 M HN 0.182 nan 8.290 nan 0.000 0.426 515 I N 0.282 120.863 120.570 0.018 0.000 2.567 515 I HA -0.201 3.969 4.170 -0.000 0.000 0.257 515 I C 1.677 177.804 176.117 0.017 0.000 1.184 515 I CA 1.293 62.603 61.300 0.016 0.000 1.451 515 I CB -0.318 37.690 38.000 0.014 0.000 1.089 515 I HN 0.375 nan 8.210 nan 0.000 0.441 516 T N -3.541 111.023 114.554 0.018 0.000 3.214 516 T HA 0.160 4.510 4.350 -0.000 0.000 0.264 516 T C 0.545 175.258 174.700 0.021 0.000 1.012 516 T CA -0.296 61.815 62.100 0.019 0.000 0.901 516 T CB -0.366 68.512 68.868 0.017 0.000 1.070 516 T HN -0.086 nan 8.240 nan 0.000 0.561 517 T N 2.481 117.048 114.554 0.021 0.000 2.780 517 T HA 0.294 4.644 4.350 -0.000 0.000 0.294 517 T C 0.684 175.398 174.700 0.025 0.000 0.949 517 T CA -0.328 61.784 62.100 0.020 0.000 1.074 517 T CB 1.390 70.269 68.868 0.017 0.000 0.910 517 T HN 0.085 nan 8.240 nan 0.000 0.501 518 E N 0.888 121.106 120.200 0.030 0.000 2.413 518 E HA 0.191 4.541 4.350 -0.000 0.000 0.203 518 E C 0.077 176.698 176.600 0.035 0.000 0.957 518 E CA 0.000 56.437 56.400 0.060 0.000 0.950 518 E CB 0.449 30.209 29.700 0.100 0.000 0.957 518 E HN 0.604 nan 8.360 nan 0.000 0.497 519 C N 0.189 119.459 119.300 -0.049 0.000 2.985 519 C HA 0.736 5.196 4.460 -0.000 0.000 0.314 519 C C -1.447 173.454 174.990 -0.148 0.000 1.215 519 C CA -0.710 58.168 59.018 -0.233 0.000 1.414 519 C CB 0.420 27.963 27.740 -0.329 0.000 1.842 519 C HN 0.186 nan 8.230 nan 0.000 0.477 520 M N 4.985 124.496 119.600 -0.148 0.000 2.263 520 M HA 0.552 5.032 4.480 -0.000 0.000 0.295 520 M C -1.166 175.207 176.300 0.121 0.000 1.028 520 M CA -0.516 54.816 55.300 0.053 0.000 0.921 520 M CB 2.061 34.818 32.600 0.261 0.000 1.601 520 M HN 0.379 nan 8.290 nan 0.000 0.440 521 V N 1.369 121.304 119.914 0.035 0.000 2.495 521 V HA 0.805 4.925 4.120 -0.000 0.000 0.298 521 V C -0.275 175.754 176.094 -0.109 0.000 1.031 521 V CA -0.412 61.886 62.300 -0.003 0.000 0.871 521 V CB 1.918 33.721 31.823 -0.033 0.000 0.988 521 V HN 0.942 nan 8.190 nan 0.000 0.432 522 T N 1.815 116.258 114.554 -0.185 0.000 2.821 522 T HA 0.376 4.726 4.350 -0.000 0.000 0.306 522 T C -1.361 173.223 174.700 -0.193 0.000 1.313 522 T CA -0.594 61.331 62.100 -0.292 0.000 1.012 522 T CB 1.828 70.314 68.868 -0.636 0.000 1.298 522 T HN 0.649 nan 8.240 nan 0.000 0.502 523 D N 1.975 122.281 120.400 -0.155 0.000 2.423 523 D HA 0.247 4.886 4.640 -0.000 0.000 0.238 523 D C 0.107 176.353 176.300 -0.091 0.000 1.142 523 D CA -0.092 53.851 54.000 -0.095 0.000 0.884 523 D CB 0.373 41.128 40.800 -0.076 0.000 1.199 523 D HN 0.244 nan 8.370 nan 0.000 0.438 524 L N 3.812 125.012 121.223 -0.039 0.000 2.453 524 L HA 0.189 4.529 4.340 -0.000 0.000 0.272 524 L C -1.906 174.953 176.870 -0.018 0.000 1.182 524 L CA -1.533 53.302 54.840 -0.009 0.000 0.858 524 L CB -0.026 42.038 42.059 0.008 0.000 1.120 524 L HN 0.245 nan 8.230 nan 0.000 0.474 525 P HA 0.167 nan 4.420 nan 0.000 0.267 525 P C -0.788 176.509 177.300 -0.005 0.000 1.328 525 P CA 0.243 63.336 63.100 -0.011 0.000 0.990 525 P CB 0.216 31.920 31.700 0.005 0.000 1.168 526 K N 0.000 120.393 120.400 -0.011 0.000 2.780 526 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 526 K CA 0.000 56.284 56.287 -0.006 0.000 0.838 526 K CB 0.000 32.499 32.500 -0.001 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543