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 1hr7_1_A DATA FIRST_RESID 14 DATA SEQUENCE ARTDNFKLSS LANGLKVATS NTPGHFSALG LYIDAGSRFE GRNLKGCTHI DATA SEQUENCE LDRLAFKSTE HVEGRAMAET LELLGGNYQC TSSRENLMYQ ASVFNQDVGK DATA SEQUENCE MLQLMSETVR FPKITEQELQ EQKLSAEYEI DEVWMKPELV LPELLHTAAY DATA SEQUENCE SGETLGSPLI CPRGLIPSIS KYYLLDYRNK FYTPENTVAA FVGVPHEKAL DATA SEQUENCE ELTGKYLGDW QSTHPPITKK VAQYTGGESC IPPAPVFGNL PELFHIQIGF DATA SEQUENCE EGLPIDHPDI YALATLQTLL GGGGSFSAGG PGKGMYSRLY THVLNQYYFV DATA SEQUENCE ENCVAFNHSY SDSGIFGISL SCIPQAAPQA VEVIAQQMYN TFANKDLRLT DATA SEQUENCE EDEVSRAKNQ LKSSLLMNLE SKLVELEDMG RQVLMHGRKI PVNEMISKIE DATA SEQUENCE DLKPDDISRV AEMIFTGNVN NAGNGKGRAT VVMQGDRGSF GDVENVLKAY DATA SEQUENCE GLGNSSS 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 14 A HA 0.000 nan 4.320 nan 0.000 0.244 14 A C 0.000 177.675 177.584 0.152 0.000 1.274 14 A CA 0.000 52.132 52.037 0.158 0.000 0.836 14 A CB 0.000 19.032 19.000 0.052 0.000 0.831 15 R N -1.146 119.405 120.500 0.085 0.000 2.125 15 R HA 0.230 4.570 4.340 -0.001 0.000 0.195 15 R C 1.916 178.246 176.300 0.050 0.000 1.138 15 R CA 1.116 57.252 56.100 0.060 0.000 1.123 15 R CB -0.379 29.942 30.300 0.035 0.000 1.049 15 R HN 0.493 nan 8.270 nan 0.000 0.503 16 T N 1.782 116.359 114.554 0.038 0.000 2.867 16 T HA -0.091 4.258 4.350 -0.001 0.000 0.268 16 T C 0.935 175.661 174.700 0.043 0.000 1.057 16 T CA 1.371 63.490 62.100 0.031 0.000 1.136 16 T CB -0.278 68.601 68.868 0.018 0.000 0.874 16 T HN 0.188 nan 8.240 nan 0.000 0.466 17 D N 1.275 121.712 120.400 0.061 0.000 2.190 17 D HA -0.130 4.509 4.640 -0.001 0.000 0.200 17 D C 1.195 177.560 176.300 0.109 0.000 0.992 17 D CA 0.988 55.039 54.000 0.084 0.000 0.854 17 D CB -0.407 40.463 40.800 0.116 0.000 0.936 17 D HN 0.386 nan 8.370 nan 0.000 0.462 18 N N -1.104 117.659 118.700 0.105 0.000 2.815 18 N HA -0.239 4.500 4.740 -0.001 0.000 0.248 18 N C -0.884 174.693 175.510 0.112 0.000 1.110 18 N CA 0.090 53.185 53.050 0.076 0.000 0.699 18 N CB -2.095 36.423 38.487 0.053 0.000 1.040 18 N HN 0.146 nan 8.380 nan 0.000 0.555 19 F N 1.487 121.434 119.950 -0.005 0.000 2.438 19 F HA 0.511 5.037 4.527 -0.001 0.000 0.356 19 F C 0.336 176.105 175.800 -0.052 0.000 1.099 19 F CA 0.017 58.014 58.000 -0.005 0.000 1.185 19 F CB 0.570 39.574 39.000 0.005 0.000 1.115 19 F HN 0.077 nan 8.300 nan 0.000 0.526 20 K N 6.273 126.124 120.400 -0.914 0.000 2.464 20 K HA 0.677 4.997 4.320 -0.001 0.000 0.253 20 K C -2.008 173.948 176.600 -1.072 0.000 0.933 20 K CA -1.083 54.613 56.287 -0.985 0.000 0.801 20 K CB 2.606 34.553 32.500 -0.923 0.000 1.271 20 K HN 0.604 nan 8.250 nan 0.000 0.430 21 L N 1.217 121.971 121.223 -0.782 0.000 2.464 21 L HA 0.605 4.944 4.340 -0.001 0.000 0.266 21 L C -1.323 175.499 176.870 -0.080 0.000 0.965 21 L CA 0.153 54.804 54.840 -0.314 0.000 0.833 21 L CB 2.094 44.015 42.059 -0.230 0.000 1.296 21 L HN 0.854 nan 8.230 nan 0.000 0.405 22 S N 1.658 117.426 115.700 0.114 0.000 2.688 22 S HA 0.898 5.367 4.470 -0.001 0.000 0.275 22 S C -1.044 173.618 174.600 0.102 0.000 1.175 22 S CA -0.788 57.478 58.200 0.110 0.000 0.818 22 S CB 1.595 64.901 63.200 0.176 0.000 1.157 22 S HN 0.610 nan 8.310 nan 0.000 0.482 23 S N 0.119 115.863 115.700 0.073 0.000 2.568 23 S HA 0.675 5.145 4.470 -0.001 0.000 0.293 23 S C -0.623 174.006 174.600 0.049 0.000 1.089 23 S CA -0.887 57.350 58.200 0.061 0.000 0.945 23 S CB 0.962 64.188 63.200 0.044 0.000 1.077 23 S HN 0.634 nan 8.310 nan 0.000 0.485 24 L N 1.305 122.557 121.223 0.048 0.000 2.431 24 L HA 0.465 4.804 4.340 -0.001 0.000 0.260 24 L C 1.715 178.601 176.870 0.027 0.000 1.098 24 L CA -0.697 54.168 54.840 0.041 0.000 0.800 24 L CB 0.416 42.510 42.059 0.059 0.000 1.210 24 L HN 0.899 nan 8.230 nan 0.000 0.465 25 A N 1.208 124.043 122.820 0.023 0.000 1.940 25 A HA -0.202 4.117 4.320 -0.001 0.000 0.219 25 A C 1.540 179.125 177.584 0.002 0.000 1.176 25 A CA 1.975 54.021 52.037 0.014 0.000 0.631 25 A CB -0.846 18.164 19.000 0.017 0.000 0.814 25 A HN 0.925 nan 8.150 nan 0.000 0.446 26 N N -1.069 117.630 118.700 -0.002 0.000 2.515 26 N HA 0.250 4.989 4.740 -0.001 0.000 0.191 26 N C 0.993 176.453 175.510 -0.083 0.000 1.182 26 N CA 1.255 54.277 53.050 -0.046 0.000 0.879 26 N CB -0.337 38.117 38.487 -0.055 0.000 0.984 26 N HN 0.803 nan 8.380 nan 0.000 0.453 27 G N -0.673 108.102 108.800 -0.041 0.000 2.217 27 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.246 27 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.246 27 G C -0.210 174.672 174.900 -0.029 0.000 0.990 27 G CA 0.140 45.212 45.100 -0.046 0.000 0.627 27 G HN 0.514 nan 8.290 nan 0.000 0.522 28 L N 2.112 123.328 121.223 -0.010 0.000 2.477 28 L HA 0.534 4.874 4.340 -0.001 0.000 0.272 28 L C 0.644 177.562 176.870 0.080 0.000 1.157 28 L CA 0.053 54.922 54.840 0.048 0.000 0.889 28 L CB 0.183 42.316 42.059 0.123 0.000 1.158 28 L HN 0.213 nan 8.230 nan 0.000 0.473 29 K N 3.960 124.415 120.400 0.090 0.000 2.185 29 K HA 0.517 4.836 4.320 -0.001 0.000 0.271 29 K C -1.102 175.592 176.600 0.157 0.000 1.013 29 K CA -0.662 55.691 56.287 0.110 0.000 0.943 29 K CB 1.476 34.036 32.500 0.101 0.000 0.998 29 K HN 0.465 nan 8.250 nan 0.000 0.468 30 V N 2.152 122.169 119.914 0.172 0.000 2.443 30 V HA 0.450 4.569 4.120 -0.001 0.000 0.293 30 V C -0.713 175.546 176.094 0.274 0.000 1.021 30 V CA -0.860 61.578 62.300 0.231 0.000 0.848 30 V CB 1.369 33.276 31.823 0.140 0.000 0.998 30 V HN 0.885 nan 8.190 nan 0.000 0.424 31 A N 3.772 126.783 122.820 0.318 0.000 2.342 31 A HA 0.966 5.286 4.320 -0.001 0.000 0.323 31 A C 0.039 177.856 177.584 0.389 0.000 1.125 31 A CA -0.420 51.799 52.037 0.303 0.000 0.785 31 A CB 1.569 20.779 19.000 0.349 0.000 1.221 31 A HN 0.902 nan 8.150 nan 0.000 0.463 32 T N -0.825 113.913 114.554 0.306 0.000 2.906 32 T HA 0.873 5.223 4.350 -0.001 0.000 0.295 32 T C -0.247 174.609 174.700 0.260 0.000 1.061 32 T CA -0.055 62.237 62.100 0.321 0.000 1.000 32 T CB 1.537 70.582 68.868 0.296 0.000 1.103 32 T HN 1.895 nan 8.240 nan 0.000 0.486 33 S N 1.562 117.411 115.700 0.248 0.000 2.643 33 S HA 0.728 5.198 4.470 -0.001 0.000 0.270 33 S C -0.592 174.093 174.600 0.142 0.000 1.166 33 S CA -0.684 57.650 58.200 0.223 0.000 0.815 33 S CB 1.336 64.703 63.200 0.278 0.000 1.139 33 S HN 1.363 nan 8.310 nan 0.000 0.472 34 N N -0.537 118.228 118.700 0.107 0.000 6.799 34 N HA -0.164 4.575 4.740 -0.001 0.000 0.418 34 N C -0.426 175.110 175.510 0.043 0.000 0.942 34 N CA 1.554 54.640 53.050 0.060 0.000 1.476 34 N CB -1.260 37.253 38.487 0.043 0.000 0.802 34 N HN 1.487 nan 8.380 nan 0.000 0.350 35 T N -2.290 112.272 114.554 0.014 0.000 2.910 35 T HA 0.774 5.123 4.350 -0.001 0.000 0.287 35 T C -2.752 171.935 174.700 -0.022 0.000 1.050 35 T CA -1.273 60.828 62.100 0.001 0.000 1.011 35 T CB 1.632 70.495 68.868 -0.008 0.000 1.195 35 T HN 0.379 nan 8.240 nan 0.000 0.540 36 P HA 0.447 nan 4.420 nan 0.000 0.266 36 P C 0.058 177.295 177.300 -0.104 0.000 1.193 36 P CA 0.295 63.367 63.100 -0.045 0.000 0.770 36 P CB 0.225 31.905 31.700 -0.032 0.000 0.836 37 G N -0.046 108.671 108.800 -0.139 0.000 2.782 37 G HA2 0.159 4.119 3.960 -0.001 0.000 0.304 37 G HA3 0.159 4.119 3.960 -0.001 0.000 0.304 37 G C 0.236 174.990 174.900 -0.243 0.000 1.315 37 G CA -0.326 44.614 45.100 -0.267 0.000 0.791 37 G HN 0.498 nan 8.290 nan 0.000 0.519 38 H N -0.741 118.285 119.070 -0.072 0.000 2.518 38 H HA 0.083 4.638 4.556 -0.001 0.000 0.289 38 H C 0.505 176.010 175.328 0.294 0.000 1.051 38 H CA 1.796 57.911 56.048 0.111 0.000 1.280 38 H CB -0.218 29.652 29.762 0.179 0.000 1.380 38 H HN 0.393 nan 8.280 nan 0.000 0.566 39 F N -2.742 117.312 119.950 0.173 0.000 2.900 39 F HA 0.565 5.092 4.527 -0.001 0.000 0.321 39 F C -1.138 174.706 175.800 0.073 0.000 1.160 39 F CA -1.319 56.748 58.000 0.113 0.000 0.890 39 F CB 0.938 39.936 39.000 -0.003 0.000 1.334 39 F HN -0.352 nan 8.300 nan 0.000 0.459 40 S N 0.078 115.989 115.700 0.352 0.000 2.677 40 S HA 0.980 5.450 4.470 -0.001 0.000 0.304 40 S C -0.957 173.820 174.600 0.295 0.000 1.108 40 S CA -0.375 57.965 58.200 0.234 0.000 0.944 40 S CB 1.753 65.077 63.200 0.206 0.000 1.127 40 S HN 1.126 nan 8.310 nan 0.000 0.511 41 A N 1.262 124.217 122.820 0.225 0.000 2.435 41 A HA 0.927 5.247 4.320 -0.001 0.000 0.304 41 A C -1.182 176.500 177.584 0.164 0.000 1.064 41 A CA -0.834 51.321 52.037 0.196 0.000 0.727 41 A CB 0.882 19.996 19.000 0.190 0.000 1.284 41 A HN 1.035 nan 8.150 nan 0.000 0.415 42 L N -1.010 120.271 121.223 0.096 0.000 2.622 42 L HA 1.043 5.382 4.340 -0.001 0.000 0.258 42 L C -0.331 176.514 176.870 -0.041 0.000 0.996 42 L CA -0.535 54.270 54.840 -0.058 0.000 0.858 42 L CB 1.930 43.924 42.059 -0.109 0.000 1.449 42 L HN 1.374 nan 8.230 nan 0.000 0.411 43 G N 1.179 109.910 108.800 -0.115 0.000 2.632 43 G HA2 0.563 4.523 3.960 -0.001 0.000 0.292 43 G HA3 0.563 4.523 3.960 -0.001 0.000 0.292 43 G C -2.031 172.733 174.900 -0.227 0.000 1.465 43 G CA -0.870 44.143 45.100 -0.144 0.000 0.824 43 G HN 0.634 nan 8.290 nan 0.000 0.509 44 L N 0.997 122.008 121.223 -0.355 0.000 2.287 44 L HA 0.483 4.822 4.340 -0.001 0.000 0.287 44 L C -1.084 175.554 176.870 -0.387 0.000 1.022 44 L CA -0.858 53.853 54.840 -0.214 0.000 0.814 44 L CB 1.375 43.326 42.059 -0.180 0.000 1.217 44 L HN 0.495 nan 8.230 nan 0.000 0.420 45 Y N 3.959 124.295 120.300 0.060 0.000 2.335 45 Y HA 0.536 5.086 4.550 -0.001 0.000 0.338 45 Y C 0.104 176.023 175.900 0.032 0.000 0.977 45 Y CA -0.579 57.554 58.100 0.055 0.000 1.114 45 Y CB 1.450 39.929 38.460 0.032 0.000 1.182 45 Y HN 0.357 nan 8.280 nan 0.000 0.463 46 I N 2.933 123.561 120.570 0.097 0.000 2.404 46 I HA 0.172 4.341 4.170 -0.001 0.000 0.293 46 I C -0.298 175.830 176.117 0.019 0.000 0.992 46 I CA -0.830 60.472 61.300 0.004 0.000 1.149 46 I CB 1.507 39.406 38.000 -0.168 0.000 1.315 46 I HN 0.535 nan 8.210 nan 0.000 0.446 47 D N 6.376 126.775 120.400 -0.001 0.000 2.545 47 D HA 0.434 5.073 4.640 -0.001 0.000 0.227 47 D C -0.320 175.905 176.300 -0.124 0.000 1.150 47 D CA 0.312 54.309 54.000 -0.004 0.000 1.046 47 D CB 0.140 40.918 40.800 -0.036 0.000 1.098 47 D HN 0.641 nan 8.370 nan 0.000 0.502 48 A N 0.751 123.565 122.820 -0.010 0.000 2.524 48 A HA 0.982 5.302 4.320 -0.001 0.000 0.289 48 A C 0.107 177.828 177.584 0.229 0.000 1.248 48 A CA -0.153 51.829 52.037 -0.092 0.000 0.712 48 A CB 1.640 20.541 19.000 -0.165 0.000 1.312 48 A HN 0.557 nan 8.150 nan 0.000 0.441 49 G N -1.843 107.089 108.800 0.220 0.000 2.356 49 G HA2 0.507 4.467 3.960 -0.001 0.000 0.300 49 G HA3 0.507 4.467 3.960 -0.001 0.000 0.300 49 G C 0.580 175.467 174.900 -0.022 0.000 1.331 49 G CA 0.714 45.850 45.100 0.060 0.000 0.905 49 G HN 1.910 nan 8.290 nan 0.000 0.587 50 S N -0.280 115.351 115.700 -0.115 0.000 2.399 50 S HA -0.209 4.260 4.470 -0.001 0.000 0.231 50 S C 2.153 176.624 174.600 -0.215 0.000 1.022 50 S CA 1.788 59.914 58.200 -0.123 0.000 0.983 50 S CB -0.385 62.725 63.200 -0.150 0.000 0.803 50 S HN 1.169 nan 8.310 nan 0.000 0.480 51 R N 0.324 120.565 120.500 -0.431 0.000 2.241 51 R HA 0.003 4.342 4.340 -0.001 0.000 0.224 51 R C 0.837 176.814 176.300 -0.539 0.000 1.101 51 R CA 1.368 57.121 56.100 -0.578 0.000 0.995 51 R CB -0.672 29.119 30.300 -0.848 0.000 0.870 51 R HN 0.506 nan 8.270 nan 0.000 0.463 52 F N 1.041 120.912 119.950 -0.132 0.000 2.695 52 F HA 0.310 4.837 4.527 -0.001 0.000 0.303 52 F C 1.446 177.251 175.800 0.009 0.000 1.091 52 F CA -0.382 57.557 58.000 -0.101 0.000 1.300 52 F CB 0.273 39.061 39.000 -0.352 0.000 1.071 52 F HN 0.012 nan 8.300 nan 0.000 0.578 53 E N 0.605 120.898 120.200 0.155 0.000 2.208 53 E HA 0.115 4.464 4.350 -0.001 0.000 0.193 53 E C 1.842 178.528 176.600 0.144 0.000 0.988 53 E CA 0.522 57.043 56.400 0.202 0.000 0.828 53 E CB -0.239 29.547 29.700 0.143 0.000 0.763 53 E HN 0.380 nan 8.360 nan 0.000 0.478 54 G N 1.145 109.998 108.800 0.089 0.000 2.575 54 G HA2 -0.384 3.575 3.960 -0.001 0.000 0.267 54 G HA3 -0.384 3.575 3.960 -0.001 0.000 0.267 54 G C 0.403 175.325 174.900 0.038 0.000 1.264 54 G CA 0.443 45.582 45.100 0.065 0.000 0.935 54 G HN 0.273 nan 8.290 nan 0.000 0.568 55 R N -0.223 120.294 120.500 0.028 0.000 2.237 55 R HA 0.203 4.542 4.340 -0.001 0.000 0.195 55 R C 2.413 178.699 176.300 -0.023 0.000 0.956 55 R CA 0.744 56.846 56.100 0.002 0.000 1.029 55 R CB -0.112 30.190 30.300 0.004 0.000 0.972 55 R HN 0.561 nan 8.270 nan 0.000 0.493 56 N N 0.309 119.007 118.700 -0.004 0.000 2.331 56 N HA -0.018 4.722 4.740 -0.001 0.000 0.180 56 N C 0.676 176.087 175.510 -0.166 0.000 1.019 56 N CA 0.703 53.716 53.050 -0.062 0.000 0.881 56 N CB 0.290 38.807 38.487 0.052 0.000 0.972 56 N HN 0.095 nan 8.380 nan 0.000 0.435 57 L N 0.474 121.691 121.223 -0.010 0.000 2.965 57 L HA 0.227 4.566 4.340 -0.001 0.000 0.254 57 L C -0.105 176.788 176.870 0.039 0.000 1.220 57 L CA -0.422 54.451 54.840 0.054 0.000 1.023 57 L CB 0.387 42.630 42.059 0.307 0.000 1.355 57 L HN -0.098 nan 8.230 nan 0.000 0.545 58 K N 1.628 122.015 120.400 -0.022 0.000 2.491 58 K HA 0.167 4.486 4.320 -0.001 0.000 0.279 58 K C 1.204 177.785 176.600 -0.031 0.000 1.026 58 K CA 1.070 57.347 56.287 -0.017 0.000 1.070 58 K CB 0.101 32.583 32.500 -0.031 0.000 0.887 58 K HN 0.326 nan 8.250 nan 0.000 0.481 59 G N 2.791 111.580 108.800 -0.018 0.000 2.179 59 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.260 59 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.260 59 G C 1.320 176.181 174.900 -0.064 0.000 0.977 59 G CA 0.294 45.377 45.100 -0.027 0.000 0.641 59 G HN 0.646 nan 8.290 nan 0.000 0.533 60 C N 0.609 119.849 119.300 -0.101 0.000 2.450 60 C HA 0.087 4.547 4.460 -0.001 0.000 0.279 60 C C 3.020 177.769 174.990 -0.402 0.000 1.335 60 C CA 1.983 60.865 59.018 -0.226 0.000 1.749 60 C CB -1.195 26.409 27.740 -0.227 0.000 1.963 60 C HN 0.659 nan 8.230 nan 0.000 0.501 61 T N -0.938 113.377 114.554 -0.398 0.000 2.746 61 T HA -0.239 4.110 4.350 -0.001 0.000 0.267 61 T C 1.579 176.222 174.700 -0.095 0.000 1.039 61 T CA 1.883 63.798 62.100 -0.309 0.000 1.142 61 T CB -0.532 68.269 68.868 -0.111 0.000 0.866 61 T HN 0.763 nan 8.240 nan 0.000 0.444 62 H N 0.354 119.335 119.070 -0.149 0.000 2.326 62 H HA -0.024 4.531 4.556 -0.001 0.000 0.301 62 H C 2.127 177.400 175.328 -0.091 0.000 1.081 62 H CA 0.958 56.943 56.048 -0.105 0.000 1.334 62 H CB 0.018 29.730 29.762 -0.085 0.000 1.385 62 H HN 0.123 nan 8.280 nan 0.000 0.504 63 I N 1.015 121.596 120.570 0.019 0.000 2.226 63 I HA -0.255 3.914 4.170 -0.001 0.000 0.245 63 I C 2.501 178.609 176.117 -0.015 0.000 1.100 63 I CA 1.052 62.324 61.300 -0.047 0.000 1.374 63 I CB -0.980 36.967 38.000 -0.090 0.000 1.057 63 I HN 0.419 nan 8.210 nan 0.000 0.413 64 L N 0.816 122.009 121.223 -0.050 0.000 2.046 64 L HA -0.244 4.096 4.340 -0.001 0.000 0.208 64 L C 2.303 179.190 176.870 0.028 0.000 1.077 64 L CA 1.858 56.685 54.840 -0.021 0.000 0.747 64 L CB -0.719 41.325 42.059 -0.025 0.000 0.896 64 L HN 0.314 nan 8.230 nan 0.000 0.432 65 D N -0.093 120.312 120.400 0.009 0.000 2.178 65 D HA -0.225 4.414 4.640 -0.001 0.000 0.202 65 D C 2.140 178.455 176.300 0.025 0.000 0.974 65 D CA 1.074 55.053 54.000 -0.035 0.000 0.841 65 D CB -0.018 40.726 40.800 -0.094 0.000 0.953 65 D HN -0.060 nan 8.370 nan 0.000 0.478 66 R N -0.953 119.593 120.500 0.078 0.000 2.276 66 R HA 0.217 4.556 4.340 -0.001 0.000 0.203 66 R C 1.128 177.477 176.300 0.081 0.000 1.017 66 R CA 0.252 56.408 56.100 0.093 0.000 1.010 66 R CB -0.182 30.184 30.300 0.111 0.000 0.900 66 R HN 0.205 nan 8.270 nan 0.000 0.469 67 L N -0.473 120.789 121.223 0.065 0.000 2.607 67 L HA 0.423 4.763 4.340 -0.001 0.000 0.228 67 L C 0.138 177.059 176.870 0.085 0.000 1.123 67 L CA -0.136 54.740 54.840 0.060 0.000 0.890 67 L CB -0.622 41.450 42.059 0.022 0.000 1.103 67 L HN -0.006 nan 8.230 nan 0.000 0.468 68 A N -0.864 122.024 122.820 0.114 0.000 2.565 68 A HA 0.182 4.501 4.320 -0.001 0.000 0.237 68 A C 0.348 178.084 177.584 0.254 0.000 1.053 68 A CA 0.065 52.172 52.037 0.117 0.000 0.755 68 A CB -0.769 18.319 19.000 0.146 0.000 0.980 68 A HN 0.373 nan 8.150 nan 0.000 0.506 69 F N -0.679 119.354 119.950 0.139 0.000 3.018 69 F HA -0.212 4.314 4.527 -0.001 0.000 0.287 69 F C 1.102 176.926 175.800 0.040 0.000 0.813 69 F CA 1.378 59.415 58.000 0.062 0.000 1.209 69 F CB -1.711 37.334 39.000 0.074 0.000 1.321 69 F HN 0.606 nan 8.300 nan 0.000 0.477 70 K N 0.354 120.846 120.400 0.153 0.000 2.842 70 K HA 0.591 4.911 4.320 -0.001 0.000 0.310 70 K C 0.895 177.531 176.600 0.059 0.000 0.992 70 K CA 0.176 56.524 56.287 0.101 0.000 1.207 70 K CB -0.126 32.415 32.500 0.069 0.000 1.478 70 K HN 0.132 nan 8.250 nan 0.000 0.601 71 S N 0.280 116.000 115.700 0.033 0.000 2.572 71 S HA 0.212 4.682 4.470 -0.001 0.000 0.279 71 S C 0.432 175.028 174.600 -0.007 0.000 1.341 71 S CA -0.409 57.798 58.200 0.013 0.000 1.043 71 S CB 0.237 63.440 63.200 0.005 0.000 0.887 71 S HN 0.590 nan 8.310 nan 0.000 0.516 72 T N -0.978 113.564 114.554 -0.019 0.000 2.773 72 T HA 0.509 4.858 4.350 -0.001 0.000 0.278 72 T C 0.633 175.267 174.700 -0.110 0.000 1.011 72 T CA -0.877 61.197 62.100 -0.043 0.000 1.014 72 T CB 0.937 69.796 68.868 -0.014 0.000 1.293 72 T HN 0.439 nan 8.240 nan 0.000 0.554 73 E N 0.419 120.479 120.200 -0.234 0.000 2.110 73 E HA -0.109 4.241 4.350 -0.001 0.000 0.193 73 E C 1.494 177.848 176.600 -0.410 0.000 0.988 73 E CA 1.724 57.877 56.400 -0.412 0.000 0.804 73 E CB -0.354 28.914 29.700 -0.720 0.000 0.745 73 E HN 0.836 nan 8.360 nan 0.000 0.458 74 H N -1.453 117.547 119.070 -0.117 0.000 2.652 74 H HA 0.277 4.833 4.556 -0.001 0.000 0.274 74 H C -0.332 174.964 175.328 -0.053 0.000 1.021 74 H CA -0.336 55.648 56.048 -0.107 0.000 1.187 74 H CB 1.009 30.679 29.762 -0.152 0.000 1.505 74 H HN -0.189 nan 8.280 nan 0.000 0.530 75 V N 1.678 121.611 119.914 0.033 0.000 2.612 75 V HA 0.092 4.212 4.120 -0.001 0.000 0.301 75 V C -0.171 175.929 176.094 0.011 0.000 1.059 75 V CA -1.136 61.181 62.300 0.028 0.000 0.886 75 V CB 2.397 34.241 31.823 0.033 0.000 1.007 75 V HN 0.200 nan 8.190 nan 0.000 0.426 76 E N 2.375 122.582 120.200 0.011 0.000 2.418 76 E HA 0.126 4.476 4.350 -0.001 0.000 0.261 76 E C 1.368 177.977 176.600 0.015 0.000 1.070 76 E CA 0.664 57.070 56.400 0.009 0.000 0.931 76 E CB 1.331 31.036 29.700 0.009 0.000 0.954 76 E HN 0.830 nan 8.360 nan 0.000 0.439 77 G N 2.514 111.324 108.800 0.017 0.000 2.491 77 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.218 77 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.218 77 G C 1.493 176.410 174.900 0.029 0.000 1.180 77 G CA 1.153 46.270 45.100 0.028 0.000 0.774 77 G HN 0.531 nan 8.290 nan 0.000 0.562 78 R N 0.618 121.131 120.500 0.022 0.000 2.091 78 R HA -0.006 4.333 4.340 -0.001 0.000 0.238 78 R C 2.834 179.143 176.300 0.014 0.000 1.136 78 R CA 1.620 57.732 56.100 0.019 0.000 0.959 78 R CB -0.440 29.869 30.300 0.015 0.000 0.856 78 R HN 0.300 nan 8.270 nan 0.000 0.437 79 A N 0.674 123.501 122.820 0.012 0.000 1.969 79 A HA -0.185 4.134 4.320 -0.001 0.000 0.218 79 A C 2.052 179.637 177.584 0.002 0.000 1.169 79 A CA 1.463 53.505 52.037 0.007 0.000 0.635 79 A CB -0.455 18.550 19.000 0.008 0.000 0.810 79 A HN 0.482 nan 8.150 nan 0.000 0.445 80 M N 0.475 120.080 119.600 0.008 0.000 2.059 80 M HA -0.034 4.446 4.480 -0.001 0.000 0.259 80 M C 2.185 178.468 176.300 -0.029 0.000 1.072 80 M CA 2.032 57.334 55.300 0.002 0.000 1.117 80 M CB -0.770 31.853 32.600 0.039 0.000 1.320 80 M HN 0.338 nan 8.290 nan 0.000 0.408 81 A N -0.409 122.410 122.820 -0.002 0.000 1.883 81 A HA -0.233 4.087 4.320 -0.001 0.000 0.217 81 A C 2.098 179.675 177.584 -0.011 0.000 1.186 81 A CA 2.245 54.283 52.037 0.002 0.000 0.624 81 A CB -1.097 17.926 19.000 0.038 0.000 0.822 81 A HN 0.706 nan 8.150 nan 0.000 0.444 82 E N -1.083 119.115 120.200 -0.003 0.000 2.077 82 E HA -0.121 4.228 4.350 -0.001 0.000 0.193 82 E C 2.064 178.656 176.600 -0.014 0.000 0.989 82 E CA 1.612 58.012 56.400 -0.001 0.000 0.800 82 E CB -0.212 29.490 29.700 0.004 0.000 0.746 82 E HN 0.632 nan 8.360 nan 0.000 0.452 83 T N 1.086 115.622 114.554 -0.029 0.000 2.867 83 T HA -0.066 4.283 4.350 -0.001 0.000 0.268 83 T C 1.846 176.502 174.700 -0.072 0.000 1.057 83 T CA 0.614 62.692 62.100 -0.037 0.000 1.136 83 T CB -0.045 68.800 68.868 -0.037 0.000 0.874 83 T HN 0.086 nan 8.240 nan 0.000 0.466 84 L N 0.544 121.685 121.223 -0.137 0.000 2.156 84 L HA -0.034 4.305 4.340 -0.001 0.000 0.208 84 L C 2.691 179.522 176.870 -0.065 0.000 1.095 84 L CA 1.200 55.890 54.840 -0.250 0.000 0.770 84 L CB -0.441 41.257 42.059 -0.602 0.000 0.914 84 L HN 0.320 nan 8.230 nan 0.000 0.439 85 E N 0.293 120.489 120.200 -0.006 0.000 2.028 85 E HA -0.196 4.154 4.350 -0.001 0.000 0.191 85 E C 2.274 178.894 176.600 0.033 0.000 0.988 85 E CA 0.988 57.411 56.400 0.039 0.000 0.799 85 E CB -0.173 29.547 29.700 0.033 0.000 0.755 85 E HN 0.433 nan 8.360 nan 0.000 0.447 86 L N 0.910 122.145 121.223 0.020 0.000 2.261 86 L HA -0.176 4.163 4.340 -0.001 0.000 0.216 86 L C 2.178 179.082 176.870 0.056 0.000 1.114 86 L CA 0.650 55.509 54.840 0.032 0.000 0.777 86 L CB -0.265 41.806 42.059 0.020 0.000 0.910 86 L HN 0.167 nan 8.230 nan 0.000 0.440 87 L N -0.966 120.281 121.223 0.041 0.000 2.558 87 L HA 0.107 4.446 4.340 -0.001 0.000 0.225 87 L C 1.553 178.476 176.870 0.087 0.000 1.128 87 L CA 0.709 55.589 54.840 0.066 0.000 0.868 87 L CB -0.065 41.997 42.059 0.005 0.000 1.006 87 L HN 0.483 nan 8.230 nan 0.000 0.454 88 G N -1.386 107.461 108.800 0.079 0.000 2.255 88 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.196 88 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.196 88 G C 0.930 175.848 174.900 0.030 0.000 0.998 88 G CA -0.275 44.859 45.100 0.058 0.000 0.656 88 G HN 0.431 nan 8.290 nan 0.000 0.490 89 G N -0.177 108.675 108.800 0.087 0.000 2.175 89 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.265 89 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.265 89 G C 0.210 175.129 174.900 0.032 0.000 0.979 89 G CA 1.060 46.249 45.100 0.148 0.000 0.663 89 G HN 1.479 nan 8.290 nan 0.000 0.533 90 N N 0.453 119.164 118.700 0.019 0.000 3.229 90 N HA 0.520 5.259 4.740 -0.001 0.000 0.275 90 N C -0.336 175.164 175.510 -0.017 0.000 1.225 90 N CA -0.493 52.507 53.050 -0.082 0.000 1.119 90 N CB -0.270 38.138 38.487 -0.132 0.000 1.392 90 N HN 0.657 nan 8.380 nan 0.000 0.520 91 Y N -0.848 119.355 120.300 -0.162 0.000 2.615 91 Y HA 0.666 5.216 4.550 -0.001 0.000 0.341 91 Y C -1.056 174.758 175.900 -0.144 0.000 1.089 91 Y CA -1.232 56.761 58.100 -0.177 0.000 1.049 91 Y CB 0.993 39.232 38.460 -0.369 0.000 1.296 91 Y HN 0.265 nan 8.280 nan 0.000 0.470 92 Q N 0.862 120.675 119.800 0.023 0.000 2.721 92 Q HA 0.553 4.892 4.340 -0.001 0.000 0.282 92 Q C -2.244 173.852 176.000 0.160 0.000 0.932 92 Q CA -0.898 54.909 55.803 0.006 0.000 0.816 92 Q CB 1.692 30.362 28.738 -0.113 0.000 1.506 92 Q HN 1.076 nan 8.270 nan 0.000 0.399 93 C N 2.084 121.438 119.300 0.090 0.000 2.379 93 C HA 0.961 5.421 4.460 -0.001 0.000 0.323 93 C C -0.452 174.437 174.990 -0.168 0.000 1.262 93 C CA 0.717 59.638 59.018 -0.161 0.000 1.581 93 C CB 0.814 28.386 27.740 -0.280 0.000 2.221 93 C HN 0.859 nan 8.230 nan 0.000 0.497 94 T N 2.255 116.682 114.554 -0.211 0.000 2.864 94 T HA 0.886 5.236 4.350 -0.001 0.000 0.299 94 T C -0.662 173.939 174.700 -0.165 0.000 1.166 94 T CA -0.408 61.598 62.100 -0.157 0.000 1.007 94 T CB 1.597 70.402 68.868 -0.106 0.000 1.219 94 T HN 1.181 nan 8.240 nan 0.000 0.506 95 S N 0.031 115.646 115.700 -0.143 0.000 2.579 95 S HA 0.888 5.357 4.470 -0.001 0.000 0.272 95 S C -0.422 174.110 174.600 -0.115 0.000 1.141 95 S CA -0.553 57.578 58.200 -0.114 0.000 0.843 95 S CB 1.812 64.945 63.200 -0.112 0.000 1.122 95 S HN 1.149 nan 8.310 nan 0.000 0.468 96 S N -0.400 115.247 115.700 -0.089 0.000 3.629 96 S HA 0.487 4.957 4.470 -0.001 0.000 0.319 96 S C 0.560 175.081 174.600 -0.132 0.000 1.149 96 S CA -0.716 57.421 58.200 -0.106 0.000 1.099 96 S CB 0.506 63.672 63.200 -0.057 0.000 1.433 96 S HN 0.732 nan 8.310 nan 0.000 0.736 97 R N 0.537 120.935 120.500 -0.170 0.000 2.115 97 R HA 0.194 4.534 4.340 -0.001 0.000 0.226 97 R C 0.840 176.963 176.300 -0.296 0.000 1.100 97 R CA 1.147 57.074 56.100 -0.288 0.000 0.980 97 R CB -0.090 29.941 30.300 -0.449 0.000 0.875 97 R HN 0.567 nan 8.270 nan 0.000 0.445 98 E N 0.232 120.345 120.200 -0.145 0.000 2.630 98 E HA 0.069 4.419 4.350 -0.001 0.000 0.218 98 E C -0.529 176.119 176.600 0.080 0.000 0.977 98 E CA -0.221 56.148 56.400 -0.052 0.000 1.038 98 E CB 0.576 30.288 29.700 0.019 0.000 1.051 98 E HN 0.308 nan 8.360 nan 0.000 0.487 99 N N 0.738 119.467 118.700 0.049 0.000 2.525 99 N HA 0.401 5.141 4.740 -0.001 0.000 0.270 99 N C -1.467 174.062 175.510 0.031 0.000 1.321 99 N CA -0.762 52.331 53.050 0.071 0.000 0.797 99 N CB 2.402 40.940 38.487 0.085 0.000 1.529 99 N HN -0.071 nan 8.380 nan 0.000 0.491 100 L N 0.652 121.891 121.223 0.026 0.000 2.596 100 L HA 0.532 4.871 4.340 -0.001 0.000 0.265 100 L C -1.375 175.454 176.870 -0.069 0.000 0.962 100 L CA -0.316 54.499 54.840 -0.042 0.000 0.891 100 L CB 1.291 43.348 42.059 -0.003 0.000 1.248 100 L HN 0.814 nan 8.230 nan 0.000 0.410 101 M N 2.841 122.329 119.600 -0.185 0.000 2.550 101 M HA 0.596 5.076 4.480 -0.001 0.000 0.292 101 M C -1.826 174.246 176.300 -0.380 0.000 1.221 101 M CA -0.717 54.427 55.300 -0.260 0.000 0.873 101 M CB 2.463 34.934 32.600 -0.215 0.000 1.727 101 M HN 0.432 nan 8.290 nan 0.000 0.459 102 Y N 1.076 121.188 120.300 -0.313 0.000 2.328 102 Y HA 0.542 5.091 4.550 -0.001 0.000 0.333 102 Y C -0.535 175.281 175.900 -0.139 0.000 0.958 102 Y CA -0.381 57.653 58.100 -0.109 0.000 1.167 102 Y CB 1.778 40.167 38.460 -0.118 0.000 1.151 102 Y HN 0.658 nan 8.280 nan 0.000 0.470 103 Q N 2.071 121.939 119.800 0.114 0.000 2.451 103 Q HA 0.976 5.315 4.340 -0.001 0.000 0.281 103 Q C -1.332 174.746 176.000 0.129 0.000 1.099 103 Q CA -1.523 54.327 55.803 0.078 0.000 0.806 103 Q CB 3.269 32.041 28.738 0.057 0.000 1.419 103 Q HN 0.694 nan 8.270 nan 0.000 0.427 104 A N 0.740 123.622 122.820 0.103 0.000 2.586 104 A HA 0.747 5.066 4.320 -0.001 0.000 0.291 104 A C -1.457 176.172 177.584 0.074 0.000 1.062 104 A CA -0.579 51.510 52.037 0.087 0.000 0.666 104 A CB 1.648 20.709 19.000 0.102 0.000 1.281 104 A HN 0.717 nan 8.150 nan 0.000 0.421 105 S N -0.294 115.423 115.700 0.027 0.000 2.526 105 S HA 0.892 5.362 4.470 -0.001 0.000 0.293 105 S C -0.387 174.157 174.600 -0.094 0.000 1.092 105 S CA -0.000 58.219 58.200 0.033 0.000 0.980 105 S CB 1.087 64.296 63.200 0.015 0.000 1.048 105 S HN 2.320 nan 8.310 nan 0.000 0.483 106 V N -0.940 118.936 119.914 -0.062 0.000 3.232 106 V HA 0.745 4.865 4.120 -0.001 0.000 0.303 106 V C -1.013 175.012 176.094 -0.116 0.000 1.311 106 V CA -1.441 60.764 62.300 -0.159 0.000 1.061 106 V CB 0.591 32.424 31.823 0.017 0.000 1.085 106 V HN 0.785 nan 8.190 nan 0.000 0.447 107 F N 2.015 122.035 119.950 0.116 0.000 2.506 107 F HA 0.359 4.885 4.527 -0.001 0.000 0.351 107 F C 1.961 177.852 175.800 0.152 0.000 1.136 107 F CA 0.118 58.211 58.000 0.154 0.000 1.298 107 F CB 0.147 39.206 39.000 0.099 0.000 1.145 107 F HN 0.605 nan 8.300 nan 0.000 0.593 108 N N 1.275 120.185 118.700 0.350 0.000 2.091 108 N HA -0.226 4.513 4.740 -0.001 0.000 0.193 108 N C 1.822 177.441 175.510 0.180 0.000 1.021 108 N CA 1.550 54.734 53.050 0.223 0.000 0.862 108 N CB -0.389 38.205 38.487 0.178 0.000 1.018 108 N HN 0.673 nan 8.380 nan 0.000 0.429 109 Q N 0.328 120.238 119.800 0.182 0.000 2.488 109 Q HA -0.050 4.289 4.340 -0.001 0.000 0.211 109 Q C -0.293 175.787 176.000 0.132 0.000 0.967 109 Q CA 1.054 56.935 55.803 0.131 0.000 0.926 109 Q CB 0.101 28.900 28.738 0.101 0.000 0.992 109 Q HN 0.247 nan 8.270 nan 0.000 0.506 110 D N 0.552 121.052 120.400 0.166 0.000 2.395 110 D HA 0.108 4.748 4.640 -0.001 0.000 0.213 110 D C 1.609 177.986 176.300 0.128 0.000 1.110 110 D CA -0.061 54.023 54.000 0.139 0.000 0.835 110 D CB 0.677 41.572 40.800 0.157 0.000 0.965 110 D HN 0.013 nan 8.370 nan 0.000 0.505 111 V N 1.141 121.144 119.914 0.149 0.000 2.282 111 V HA -0.227 3.892 4.120 -0.001 0.000 0.249 111 V C 2.631 178.822 176.094 0.162 0.000 1.057 111 V CA 2.343 64.748 62.300 0.174 0.000 1.032 111 V CB -0.888 31.056 31.823 0.203 0.000 0.645 111 V HN 0.296 nan 8.190 nan 0.000 0.447 112 G N -0.408 108.482 108.800 0.149 0.000 2.446 112 G HA2 -0.359 3.601 3.960 -0.001 0.000 0.217 112 G HA3 -0.359 3.601 3.960 -0.001 0.000 0.217 112 G C 1.606 176.546 174.900 0.067 0.000 1.168 112 G CA 1.319 46.521 45.100 0.170 0.000 0.771 112 G HN 0.461 nan 8.290 nan 0.000 0.551 113 K N -0.178 120.252 120.400 0.049 0.000 2.097 113 K HA 0.038 4.357 4.320 -0.001 0.000 0.205 113 K C 2.347 178.911 176.600 -0.059 0.000 1.050 113 K CA 1.318 57.598 56.287 -0.013 0.000 0.938 113 K CB -0.372 32.140 32.500 0.020 0.000 0.718 113 K HN 0.282 nan 8.250 nan 0.000 0.442 114 M N -0.062 119.531 119.600 -0.010 0.000 2.175 114 M HA 0.008 4.488 4.480 -0.001 0.000 0.264 114 M C 1.664 177.945 176.300 -0.031 0.000 1.063 114 M CA 1.225 56.516 55.300 -0.014 0.000 1.119 114 M CB -0.387 32.230 32.600 0.028 0.000 1.377 114 M HN 0.231 nan 8.290 nan 0.000 0.415 115 L N 0.157 121.365 121.223 -0.025 0.000 2.093 115 L HA -0.166 4.174 4.340 -0.001 0.000 0.208 115 L C 2.347 179.040 176.870 -0.296 0.000 1.085 115 L CA 2.016 56.826 54.840 -0.051 0.000 0.755 115 L CB -1.000 41.132 42.059 0.121 0.000 0.904 115 L HN 0.617 nan 8.230 nan 0.000 0.435 116 Q N -0.721 118.731 119.800 -0.581 0.000 2.050 116 Q HA -0.199 4.141 4.340 -0.001 0.000 0.202 116 Q C 2.228 178.028 176.000 -0.334 0.000 0.980 116 Q CA 2.024 57.303 55.803 -0.874 0.000 0.840 116 Q CB -0.201 28.023 28.738 -0.857 0.000 0.898 116 Q HN 0.611 nan 8.270 nan 0.000 0.424 117 L N -0.064 121.052 121.223 -0.178 0.000 2.046 117 L HA -0.204 4.136 4.340 -0.001 0.000 0.208 117 L C 2.668 179.519 176.870 -0.032 0.000 1.077 117 L CA 1.105 55.916 54.840 -0.047 0.000 0.747 117 L CB -0.379 41.681 42.059 0.003 0.000 0.896 117 L HN 0.387 nan 8.230 nan 0.000 0.432 118 M N -0.294 119.284 119.600 -0.037 0.000 2.086 118 M HA -0.190 4.290 4.480 -0.001 0.000 0.261 118 M C 2.612 178.712 176.300 -0.334 0.000 1.067 118 M CA 2.235 57.436 55.300 -0.165 0.000 1.116 118 M CB -0.423 32.117 32.600 -0.099 0.000 1.348 118 M HN 0.370 nan 8.290 nan 0.000 0.407 119 S N -0.288 115.257 115.700 -0.258 0.000 2.419 119 S HA -0.109 4.360 4.470 -0.001 0.000 0.233 119 S C 1.704 176.146 174.600 -0.264 0.000 1.016 119 S CA 0.902 58.926 58.200 -0.293 0.000 0.974 119 S CB -0.438 62.669 63.200 -0.155 0.000 0.786 119 S HN 0.398 nan 8.310 nan 0.000 0.492 120 E N 1.042 121.170 120.200 -0.120 0.000 2.072 120 E HA -0.086 4.263 4.350 -0.001 0.000 0.191 120 E C 2.188 178.720 176.600 -0.112 0.000 0.985 120 E CA 1.481 57.902 56.400 0.034 0.000 0.801 120 E CB -0.746 28.996 29.700 0.070 0.000 0.750 120 E HN 0.612 nan 8.360 nan 0.000 0.452 121 T N -0.011 114.394 114.554 -0.248 0.000 3.023 121 T HA -0.002 4.347 4.350 -0.001 0.000 0.266 121 T C 1.772 176.242 174.700 -0.382 0.000 1.093 121 T CA 0.418 62.335 62.100 -0.306 0.000 1.129 121 T CB 0.160 68.746 68.868 -0.470 0.000 0.899 121 T HN -0.097 nan 8.240 nan 0.000 0.491 122 V N 0.597 120.210 119.914 -0.502 0.000 2.878 122 V HA 0.184 4.304 4.120 -0.001 0.000 0.250 122 V C 2.510 178.316 176.094 -0.480 0.000 1.075 122 V CA 1.201 63.228 62.300 -0.455 0.000 1.096 122 V CB -0.255 31.209 31.823 -0.598 0.000 0.724 122 V HN 0.339 nan 8.190 nan 0.000 0.467 123 R N -1.485 118.590 120.500 -0.708 0.000 2.221 123 R HA 0.219 4.559 4.340 -0.001 0.000 0.195 123 R C 0.437 176.132 176.300 -1.008 0.000 0.956 123 R CA 0.493 55.944 56.100 -1.082 0.000 1.064 123 R CB 0.366 29.628 30.300 -1.729 0.000 1.049 123 R HN 0.462 nan 8.270 nan 0.000 0.534 124 F N 1.582 121.391 119.950 -0.235 0.000 2.818 124 F HA 0.325 4.852 4.527 -0.001 0.000 0.369 124 F C -2.250 173.430 175.800 -0.200 0.000 1.327 124 F CA -2.608 55.263 58.000 -0.214 0.000 1.211 124 F CB 0.615 39.448 39.000 -0.277 0.000 1.036 124 F HN -0.211 nan 8.300 nan 0.000 0.510 125 P HA 0.062 nan 4.420 nan 0.000 0.269 125 P C 0.353 177.623 177.300 -0.051 0.000 1.209 125 P CA 0.042 63.097 63.100 -0.076 0.000 0.776 125 P CB 1.761 33.387 31.700 -0.122 0.000 0.876 126 K N 1.778 122.155 120.400 -0.039 0.000 2.128 126 K HA 0.142 4.462 4.320 -0.001 0.000 0.202 126 K C 0.651 177.234 176.600 -0.028 0.000 1.050 126 K CA 0.131 56.399 56.287 -0.032 0.000 0.966 126 K CB -0.281 32.202 32.500 -0.028 0.000 0.759 126 K HN 0.457 nan 8.250 nan 0.000 0.454 127 I N 3.241 123.796 120.570 -0.025 0.000 7.277 127 I HA -0.262 3.907 4.170 -0.001 0.000 0.126 127 I C 0.284 176.394 176.117 -0.011 0.000 1.720 127 I CA 0.181 61.469 61.300 -0.019 0.000 2.268 127 I CB -1.815 36.167 38.000 -0.030 0.000 3.404 127 I HN 0.344 nan 8.210 nan 0.000 0.234 128 T N -0.593 113.958 114.554 -0.005 0.000 2.788 128 T HA 0.279 4.628 4.350 -0.001 0.000 0.287 128 T C 1.226 175.927 174.700 0.002 0.000 1.007 128 T CA -0.220 61.879 62.100 -0.002 0.000 1.005 128 T CB 1.590 70.459 68.868 0.000 0.000 1.012 128 T HN 0.494 nan 8.240 nan 0.000 0.530 129 E N 0.007 120.209 120.200 0.003 0.000 2.058 129 E HA -0.236 4.113 4.350 -0.001 0.000 0.194 129 E C 2.250 178.853 176.600 0.006 0.000 0.997 129 E CA 1.221 57.624 56.400 0.005 0.000 0.801 129 E CB -0.144 29.559 29.700 0.005 0.000 0.746 129 E HN 0.768 nan 8.360 nan 0.000 0.450 130 Q N 0.876 120.680 119.800 0.006 0.000 2.061 130 Q HA -0.238 4.102 4.340 -0.001 0.000 0.204 130 Q C 1.928 177.934 176.000 0.011 0.000 0.984 130 Q CA 1.616 57.424 55.803 0.009 0.000 0.846 130 Q CB 0.070 28.814 28.738 0.010 0.000 0.902 130 Q HN 0.318 nan 8.270 nan 0.000 0.421 131 E N 0.105 120.311 120.200 0.011 0.000 2.077 131 E HA -0.214 4.136 4.350 -0.001 0.000 0.193 131 E C 2.005 178.611 176.600 0.010 0.000 0.989 131 E CA 1.055 57.464 56.400 0.014 0.000 0.800 131 E CB -0.125 29.584 29.700 0.015 0.000 0.746 131 E HN 0.249 nan 8.360 nan 0.000 0.452 132 L N 1.153 122.379 121.223 0.004 0.000 2.056 132 L HA -0.178 4.162 4.340 -0.001 0.000 0.207 132 L C 2.331 179.198 176.870 -0.005 0.000 1.078 132 L CA 1.753 56.593 54.840 -0.001 0.000 0.749 132 L CB -0.417 41.643 42.059 0.002 0.000 0.901 132 L HN -0.018 nan 8.230 nan 0.000 0.433 133 Q N 0.109 119.909 119.800 -0.001 0.000 2.124 133 Q HA -0.210 4.129 4.340 -0.001 0.000 0.202 133 Q C 2.097 178.095 176.000 -0.004 0.000 0.977 133 Q CA 1.944 57.745 55.803 -0.004 0.000 0.850 133 Q CB -0.135 28.604 28.738 0.001 0.000 0.901 133 Q HN 0.655 nan 8.270 nan 0.000 0.429 134 E N -0.777 119.427 120.200 0.006 0.000 2.031 134 E HA -0.194 4.155 4.350 -0.001 0.000 0.193 134 E C 1.995 178.600 176.600 0.009 0.000 0.994 134 E CA 1.148 57.557 56.400 0.015 0.000 0.800 134 E CB 0.027 29.741 29.700 0.024 0.000 0.752 134 E HN 0.328 nan 8.360 nan 0.000 0.447 135 Q N 0.676 120.476 119.800 -0.000 0.000 2.167 135 Q HA -0.111 4.228 4.340 -0.001 0.000 0.202 135 Q C 1.847 177.814 176.000 -0.056 0.000 0.970 135 Q CA 1.139 56.933 55.803 -0.015 0.000 0.855 135 Q CB -0.086 28.643 28.738 -0.014 0.000 0.911 135 Q HN 0.202 nan 8.270 nan 0.000 0.438 136 K N 0.203 120.569 120.400 -0.057 0.000 2.057 136 K HA -0.112 4.208 4.320 -0.001 0.000 0.206 136 K C 2.036 178.574 176.600 -0.102 0.000 1.050 136 K CA 0.725 56.962 56.287 -0.085 0.000 0.935 136 K CB -0.198 32.265 32.500 -0.061 0.000 0.715 136 K HN 0.048 nan 8.250 nan 0.000 0.439 137 L N 0.895 122.072 121.223 -0.077 0.000 2.017 137 L HA -0.155 4.185 4.340 -0.001 0.000 0.208 137 L C 2.246 179.044 176.870 -0.120 0.000 1.073 137 L CA 1.944 56.716 54.840 -0.113 0.000 0.745 137 L CB -0.891 41.149 42.059 -0.032 0.000 0.894 137 L HN 0.089 nan 8.230 nan 0.000 0.432 138 S N -0.776 114.922 115.700 -0.004 0.000 2.423 138 S HA -0.067 4.402 4.470 -0.001 0.000 0.231 138 S C 2.089 176.704 174.600 0.025 0.000 1.014 138 S CA 0.953 59.202 58.200 0.081 0.000 0.965 138 S CB -0.432 62.815 63.200 0.078 0.000 0.785 138 S HN 0.642 nan 8.310 nan 0.000 0.495 139 A N 1.235 124.009 122.820 -0.077 0.000 1.929 139 A HA 0.011 4.331 4.320 -0.001 0.000 0.216 139 A C 2.010 179.539 177.584 -0.093 0.000 1.176 139 A CA 1.264 53.221 52.037 -0.134 0.000 0.628 139 A CB -0.567 18.256 19.000 -0.294 0.000 0.816 139 A HN 0.705 nan 8.150 nan 0.000 0.444 140 E N -1.007 119.096 120.200 -0.162 0.000 2.085 140 E HA -0.225 4.125 4.350 -0.001 0.000 0.194 140 E C 1.791 178.322 176.600 -0.115 0.000 0.994 140 E CA 1.546 57.834 56.400 -0.187 0.000 0.801 140 E CB -0.364 29.131 29.700 -0.342 0.000 0.743 140 E HN 0.770 nan 8.360 nan 0.000 0.453 141 Y N 1.199 121.511 120.300 0.020 0.000 2.200 141 Y HA -0.159 4.391 4.550 -0.001 0.000 0.290 141 Y C 2.361 178.286 175.900 0.041 0.000 1.137 141 Y CA 1.113 59.230 58.100 0.029 0.000 1.163 141 Y CB -0.525 37.946 38.460 0.018 0.000 0.988 141 Y HN 0.102 nan 8.280 nan 0.000 0.518 142 E N 0.112 120.424 120.200 0.186 0.000 2.077 142 E HA -0.207 4.142 4.350 -0.001 0.000 0.193 142 E C 1.968 178.642 176.600 0.124 0.000 0.989 142 E CA 1.389 57.871 56.400 0.137 0.000 0.800 142 E CB -0.269 29.512 29.700 0.135 0.000 0.746 142 E HN 0.353 nan 8.360 nan 0.000 0.452 143 I N 1.877 122.522 120.570 0.125 0.000 2.286 143 I HA -0.250 3.919 4.170 -0.001 0.000 0.248 143 I C 1.792 178.067 176.117 0.263 0.000 1.115 143 I CA 1.242 62.642 61.300 0.167 0.000 1.392 143 I CB -0.222 37.885 38.000 0.178 0.000 1.065 143 I HN 0.083 nan 8.210 nan 0.000 0.418 144 D N 0.364 120.896 120.400 0.220 0.000 2.144 144 D HA -0.181 4.458 4.640 -0.001 0.000 0.199 144 D C 2.130 178.559 176.300 0.214 0.000 0.984 144 D CA 1.160 55.299 54.000 0.232 0.000 0.834 144 D CB -0.151 40.763 40.800 0.191 0.000 0.955 144 D HN 0.465 nan 8.370 nan 0.000 0.465 145 E N 0.037 120.330 120.200 0.156 0.000 2.112 145 E HA -0.058 4.292 4.350 -0.001 0.000 0.190 145 E C 2.269 178.908 176.600 0.065 0.000 0.979 145 E CA 0.209 56.669 56.400 0.101 0.000 0.814 145 E CB 0.208 29.948 29.700 0.066 0.000 0.762 145 E HN 0.025 nan 8.360 nan 0.000 0.460 146 V N 0.329 120.257 119.914 0.023 0.000 2.392 146 V HA -0.230 3.890 4.120 -0.001 0.000 0.249 146 V C 1.367 177.368 176.094 -0.155 0.000 1.059 146 V CA 1.558 63.791 62.300 -0.111 0.000 1.051 146 V CB -0.462 31.230 31.823 -0.218 0.000 0.658 146 V HN 0.437 nan 8.190 nan 0.000 0.455 147 W N -0.913 120.396 121.300 0.016 0.000 3.096 147 W HA 0.074 4.733 4.660 -0.001 0.000 0.241 147 W C 1.978 178.515 176.519 0.031 0.000 1.316 147 W CA 0.390 57.744 57.345 0.015 0.000 1.520 147 W CB -0.267 29.203 29.460 0.016 0.000 1.128 147 W HN 0.249 nan 8.180 nan 0.000 0.707 148 M N -0.767 118.948 119.600 0.190 0.000 2.313 148 M HA 0.114 4.593 4.480 -0.001 0.000 0.273 148 M C 0.087 176.452 176.300 0.109 0.000 1.049 148 M CA 0.526 55.930 55.300 0.173 0.000 1.004 148 M CB 0.379 33.068 32.600 0.149 0.000 1.461 148 M HN -0.341 nan 8.290 nan 0.000 0.514 149 K N 1.050 121.470 120.400 0.034 0.000 2.347 149 K HA 0.272 4.592 4.320 -0.001 0.000 0.262 149 K C -2.145 174.420 176.600 -0.057 0.000 1.052 149 K CA -1.623 54.657 56.287 -0.012 0.000 0.946 149 K CB 1.282 33.754 32.500 -0.046 0.000 1.220 149 K HN -0.225 nan 8.250 nan 0.000 0.450 150 P HA -0.223 nan 4.420 nan 0.000 0.217 150 P C 0.249 177.443 177.300 -0.176 0.000 1.148 150 P CA 1.296 64.293 63.100 -0.171 0.000 0.828 150 P CB 0.311 31.813 31.700 -0.330 0.000 0.783 151 E N -0.937 119.194 120.200 -0.115 0.000 2.265 151 E HA -0.100 4.250 4.350 -0.001 0.000 0.196 151 E C 1.770 178.307 176.600 -0.104 0.000 0.996 151 E CA 0.908 57.256 56.400 -0.086 0.000 0.832 151 E CB -0.858 28.814 29.700 -0.045 0.000 0.756 151 E HN 0.301 nan 8.360 nan 0.000 0.491 152 L N -0.560 120.581 121.223 -0.137 0.000 2.388 152 L HA 0.078 4.418 4.340 -0.001 0.000 0.209 152 L C 2.070 178.790 176.870 -0.250 0.000 1.061 152 L CA 0.128 54.858 54.840 -0.184 0.000 0.834 152 L CB -0.105 41.834 42.059 -0.201 0.000 1.029 152 L HN 0.017 nan 8.230 nan 0.000 0.473 153 V N 0.283 120.042 119.914 -0.259 0.000 2.307 153 V HA -0.232 3.888 4.120 -0.001 0.000 0.245 153 V C 2.533 178.523 176.094 -0.173 0.000 1.045 153 V CA 1.213 63.335 62.300 -0.297 0.000 1.024 153 V CB -0.293 31.430 31.823 -0.167 0.000 0.651 153 V HN 0.264 nan 8.190 nan 0.000 0.449 154 L N -0.068 121.072 121.223 -0.137 0.000 2.012 154 L HA -0.121 4.218 4.340 -0.001 0.000 0.210 154 L C 0.291 177.093 176.870 -0.114 0.000 1.073 154 L CA 2.615 57.391 54.840 -0.107 0.000 0.748 154 L CB -2.709 39.281 42.059 -0.113 0.000 0.891 154 L HN 0.346 nan 8.230 nan 0.000 0.431 155 P HA -0.170 nan 4.420 nan 0.000 0.218 155 P C 1.480 178.757 177.300 -0.037 0.000 1.149 155 P CA 1.110 64.143 63.100 -0.112 0.000 0.817 155 P CB 0.159 31.798 31.700 -0.103 0.000 0.785 156 E N 0.141 120.269 120.200 -0.119 0.000 2.047 156 E HA -0.150 4.200 4.350 -0.001 0.000 0.191 156 E C 1.834 178.416 176.600 -0.031 0.000 0.987 156 E CA 1.188 57.515 56.400 -0.120 0.000 0.799 156 E CB -1.221 28.334 29.700 -0.242 0.000 0.752 156 E HN 0.113 nan 8.360 nan 0.000 0.449 157 L N 0.174 121.377 121.223 -0.033 0.000 2.131 157 L HA -0.113 4.227 4.340 -0.001 0.000 0.210 157 L C 2.498 179.354 176.870 -0.024 0.000 1.092 157 L CA 0.688 55.529 54.840 0.002 0.000 0.759 157 L CB -0.499 41.564 42.059 0.007 0.000 0.903 157 L HN 0.263 nan 8.230 nan 0.000 0.435 158 L N -0.621 120.568 121.223 -0.055 0.000 2.017 158 L HA -0.225 4.115 4.340 -0.001 0.000 0.208 158 L C 2.449 179.255 176.870 -0.106 0.000 1.073 158 L CA 1.939 56.711 54.840 -0.114 0.000 0.745 158 L CB -0.469 41.459 42.059 -0.218 0.000 0.894 158 L HN 0.171 nan 8.230 nan 0.000 0.432 159 H N -1.253 117.770 119.070 -0.078 0.000 2.357 159 H HA -0.093 4.463 4.556 -0.001 0.000 0.301 159 H C 2.127 177.488 175.328 0.056 0.000 1.082 159 H CA 1.970 58.032 56.048 0.022 0.000 1.342 159 H CB -0.539 29.192 29.762 -0.051 0.000 1.389 159 H HN 0.318 nan 8.280 nan 0.000 0.511 160 T N -0.003 114.621 114.554 0.117 0.000 2.720 160 T HA -0.193 4.156 4.350 -0.001 0.000 0.268 160 T C 2.240 176.948 174.700 0.013 0.000 1.037 160 T CA 1.357 63.494 62.100 0.062 0.000 1.144 160 T CB -0.425 68.467 68.868 0.040 0.000 0.864 160 T HN 0.499 nan 8.240 nan 0.000 0.444 161 A N 0.889 123.686 122.820 -0.039 0.000 1.975 161 A HA 0.464 4.784 4.320 -0.001 0.000 0.215 161 A C 2.568 180.021 177.584 -0.219 0.000 1.170 161 A CA 1.233 53.207 52.037 -0.105 0.000 0.656 161 A CB -0.776 18.160 19.000 -0.107 0.000 0.821 161 A HN 0.469 nan 8.150 nan 0.000 0.449 162 A N -1.457 121.202 122.820 -0.269 0.000 2.019 162 A HA -0.012 4.307 4.320 -0.001 0.000 0.219 162 A C 1.375 178.405 177.584 -0.922 0.000 1.164 162 A CA 1.305 52.965 52.037 -0.628 0.000 0.644 162 A CB -0.534 18.157 19.000 -0.515 0.000 0.805 162 A HN 0.613 nan 8.150 nan 0.000 0.449 163 Y N -1.002 119.186 120.300 -0.188 0.000 2.706 163 Y HA 0.289 4.839 4.550 -0.001 0.000 0.255 163 Y C 0.891 176.728 175.900 -0.106 0.000 1.163 163 Y CA -0.063 57.955 58.100 -0.137 0.000 1.174 163 Y CB -0.093 38.328 38.460 -0.065 0.000 1.200 163 Y HN 0.170 nan 8.280 nan 0.000 0.544 164 S N 0.642 116.323 115.700 -0.032 0.000 3.477 164 S HA -0.213 4.257 4.470 -0.001 0.000 0.371 164 S C 1.580 176.189 174.600 0.015 0.000 0.965 164 S CA 0.995 59.182 58.200 -0.022 0.000 1.239 164 S CB -1.618 61.562 63.200 -0.033 0.000 0.918 164 S HN 1.228 nan 8.310 nan 0.000 0.498 165 G N -0.393 108.426 108.800 0.031 0.000 2.168 165 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.257 165 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.257 165 G C -0.226 174.680 174.900 0.009 0.000 0.997 165 G CA 0.722 45.834 45.100 0.021 0.000 0.708 165 G HN 0.652 nan 8.290 nan 0.000 0.520 166 E N -0.243 119.970 120.200 0.022 0.000 2.244 166 E HA 0.558 4.907 4.350 -0.001 0.000 0.266 166 E C 1.382 177.931 176.600 -0.086 0.000 0.914 166 E CA 0.275 56.667 56.400 -0.013 0.000 0.794 166 E CB 1.626 31.334 29.700 0.014 0.000 1.210 166 E HN 0.835 nan 8.360 nan 0.000 0.414 167 T N -0.438 114.033 114.554 -0.139 0.000 13.493 167 T HA -0.386 3.964 4.350 -0.001 0.000 0.418 167 T C 1.536 175.994 174.700 -0.404 0.000 1.442 167 T CA 1.823 63.761 62.100 -0.270 0.000 2.346 167 T CB -1.256 67.451 68.868 -0.269 0.000 2.786 167 T HN 0.471 nan 8.240 nan 0.000 0.537 168 L N 2.134 122.988 121.223 -0.615 0.000 2.450 168 L HA 0.216 4.555 4.340 -0.001 0.000 0.224 168 L C 2.795 179.425 176.870 -0.400 0.000 1.149 168 L CA 1.347 55.744 54.840 -0.738 0.000 0.816 168 L CB -0.677 40.660 42.059 -1.203 0.000 0.932 168 L HN 0.856 nan 8.230 nan 0.000 0.449 169 G N -1.686 106.990 108.800 -0.206 0.000 3.277 169 G HA2 -0.017 3.943 3.960 -0.001 0.000 0.243 169 G HA3 -0.017 3.943 3.960 -0.001 0.000 0.243 169 G C 0.494 175.376 174.900 -0.029 0.000 1.107 169 G CA -0.114 45.014 45.100 0.046 0.000 0.771 169 G HN 0.146 nan 8.290 nan 0.000 0.544 170 S N 1.486 117.122 115.700 -0.106 0.000 2.549 170 S HA 0.359 4.829 4.470 -0.001 0.000 0.283 170 S C -2.307 172.240 174.600 -0.088 0.000 1.320 170 S CA -1.082 57.068 58.200 -0.083 0.000 1.058 170 S CB 0.794 63.931 63.200 -0.105 0.000 0.882 170 S HN -0.020 nan 8.310 nan 0.000 0.498 171 P HA -0.061 nan 4.420 nan 0.000 0.257 171 P C 0.378 177.629 177.300 -0.082 0.000 1.162 171 P CA 0.080 63.154 63.100 -0.043 0.000 0.762 171 P CB 0.324 32.031 31.700 0.011 0.000 0.753 172 L N 5.427 126.572 121.223 -0.130 0.000 2.270 172 L HA 0.183 4.523 4.340 -0.001 0.000 0.210 172 L C 0.635 177.436 176.870 -0.114 0.000 1.104 172 L CA 1.179 55.922 54.840 -0.161 0.000 0.804 172 L CB -0.170 41.747 42.059 -0.238 0.000 0.937 172 L HN 0.240 nan 8.230 nan 0.000 0.450 173 I N 0.275 120.786 120.570 -0.098 0.000 2.304 173 I HA 0.110 4.279 4.170 -0.001 0.000 0.291 173 I C -0.007 176.140 176.117 0.050 0.000 1.018 173 I CA -0.620 60.648 61.300 -0.054 0.000 1.260 173 I CB 0.851 38.743 38.000 -0.180 0.000 1.390 173 I HN 0.016 nan 8.210 nan 0.000 0.475 174 C N 8.977 128.328 119.300 0.086 0.000 2.648 174 C HA 0.240 4.700 4.460 -0.001 0.000 0.419 174 C C -1.882 173.170 174.990 0.104 0.000 1.352 174 C CA -1.120 57.941 59.018 0.072 0.000 1.816 174 C CB -0.263 27.499 27.740 0.036 0.000 2.598 174 C HN 0.514 nan 8.230 nan 0.000 0.598 175 P HA 0.080 nan 4.420 nan 0.000 0.262 175 P C 0.702 178.030 177.300 0.045 0.000 1.182 175 P CA 0.355 63.503 63.100 0.080 0.000 0.761 175 P CB 0.320 32.040 31.700 0.034 0.000 0.795 176 R N 3.115 123.642 120.500 0.045 0.000 2.083 176 R HA -0.140 4.200 4.340 -0.001 0.000 0.237 176 R C 2.174 178.460 176.300 -0.024 0.000 1.137 176 R CA 2.088 58.193 56.100 0.008 0.000 0.951 176 R CB -1.018 29.278 30.300 -0.006 0.000 0.851 176 R HN 0.687 nan 8.270 nan 0.000 0.434 177 G N 0.051 108.833 108.800 -0.029 0.000 2.559 177 G HA2 -0.151 3.808 3.960 -0.001 0.000 0.216 177 G HA3 -0.151 3.808 3.960 -0.001 0.000 0.216 177 G C 1.251 176.135 174.900 -0.028 0.000 1.126 177 G CA 0.209 45.289 45.100 -0.033 0.000 0.778 177 G HN 0.240 nan 8.290 nan 0.000 0.543 178 L N -0.277 120.931 121.223 -0.025 0.000 2.477 178 L HA 0.279 4.618 4.340 -0.001 0.000 0.220 178 L C 2.497 179.347 176.870 -0.034 0.000 1.106 178 L CA -0.107 54.716 54.840 -0.029 0.000 0.851 178 L CB -0.045 41.995 42.059 -0.031 0.000 0.994 178 L HN 0.169 nan 8.230 nan 0.000 0.462 179 I N 0.904 121.450 120.570 -0.040 0.000 2.179 179 I HA -0.205 3.965 4.170 -0.001 0.000 0.242 179 I C -0.394 175.700 176.117 -0.039 0.000 1.088 179 I CA 1.474 62.742 61.300 -0.054 0.000 1.357 179 I CB -1.144 36.809 38.000 -0.078 0.000 1.051 179 I HN 0.201 nan 8.210 nan 0.000 0.409 180 P HA -0.126 nan 4.420 nan 0.000 0.222 180 P C 1.274 178.581 177.300 0.010 0.000 1.147 180 P CA 1.356 64.444 63.100 -0.019 0.000 0.790 180 P CB -0.086 31.600 31.700 -0.024 0.000 0.780 181 S N -1.903 113.810 115.700 0.020 0.000 2.605 181 S HA 0.140 4.610 4.470 -0.001 0.000 0.217 181 S C 0.643 175.318 174.600 0.126 0.000 0.958 181 S CA -0.327 57.913 58.200 0.067 0.000 0.919 181 S CB -0.973 62.260 63.200 0.056 0.000 0.780 181 S HN 0.014 nan 8.310 nan 0.000 0.507 182 I N 3.933 124.552 120.570 0.082 0.000 2.421 182 I HA 0.155 4.325 4.170 -0.001 0.000 0.291 182 I C 0.592 176.807 176.117 0.164 0.000 1.089 182 I CA -0.231 61.144 61.300 0.126 0.000 1.354 182 I CB 0.504 38.525 38.000 0.036 0.000 1.413 182 I HN 0.367 nan 8.210 nan 0.000 0.513 183 S N 5.195 121.066 115.700 0.285 0.000 2.747 183 S HA 0.362 4.832 4.470 -0.001 0.000 0.300 183 S C 0.822 175.501 174.600 0.131 0.000 1.121 183 S CA -0.927 57.376 58.200 0.171 0.000 0.995 183 S CB 2.063 65.351 63.200 0.146 0.000 1.113 183 S HN 0.648 nan 8.310 nan 0.000 0.547 184 K N -0.482 119.963 120.400 0.076 0.000 2.097 184 K HA -0.171 4.149 4.320 -0.001 0.000 0.206 184 K C 1.896 178.514 176.600 0.030 0.000 1.049 184 K CA 1.358 57.671 56.287 0.043 0.000 0.933 184 K CB -0.490 32.026 32.500 0.027 0.000 0.717 184 K HN 0.717 nan 8.250 nan 0.000 0.442 185 Y N 0.199 120.446 120.300 -0.088 0.000 2.097 185 Y HA -0.321 4.229 4.550 -0.001 0.000 0.282 185 Y C 1.646 177.463 175.900 -0.138 0.000 1.152 185 Y CA 1.926 59.926 58.100 -0.167 0.000 1.136 185 Y CB -0.397 37.875 38.460 -0.313 0.000 0.975 185 Y HN 0.082 nan 8.280 nan 0.000 0.498 186 Y N 0.087 120.419 120.300 0.054 0.000 2.224 186 Y HA -0.210 4.339 4.550 -0.001 0.000 0.289 186 Y C 2.380 178.269 175.900 -0.018 0.000 1.146 186 Y CA 1.443 59.541 58.100 -0.004 0.000 1.182 186 Y CB -0.749 37.786 38.460 0.125 0.000 0.983 186 Y HN 0.173 nan 8.280 nan 0.000 0.524 187 L N -0.962 120.335 121.223 0.125 0.000 2.093 187 L HA -0.225 4.114 4.340 -0.001 0.000 0.208 187 L C 2.171 179.054 176.870 0.022 0.000 1.085 187 L CA 1.122 55.998 54.840 0.061 0.000 0.755 187 L CB -0.619 41.445 42.059 0.007 0.000 0.904 187 L HN 0.250 nan 8.230 nan 0.000 0.435 188 L N -0.566 120.615 121.223 -0.070 0.000 2.109 188 L HA -0.202 4.137 4.340 -0.001 0.000 0.207 188 L C 2.159 178.958 176.870 -0.120 0.000 1.086 188 L CA 1.130 55.905 54.840 -0.108 0.000 0.760 188 L CB -0.486 41.487 42.059 -0.144 0.000 0.910 188 L HN 0.281 nan 8.230 nan 0.000 0.437 189 D N -0.504 119.772 120.400 -0.206 0.000 2.097 189 D HA -0.283 4.357 4.640 -0.001 0.000 0.195 189 D C 2.093 178.406 176.300 0.023 0.000 0.989 189 D CA 1.292 55.193 54.000 -0.166 0.000 0.827 189 D CB -0.068 40.611 40.800 -0.202 0.000 0.966 189 D HN 0.251 nan 8.370 nan 0.000 0.456 190 Y N 1.235 121.559 120.300 0.039 0.000 2.145 190 Y HA -0.128 4.422 4.550 -0.001 0.000 0.286 190 Y C 2.257 178.296 175.900 0.232 0.000 1.145 190 Y CA 1.768 59.996 58.100 0.213 0.000 1.148 190 Y CB -0.130 38.486 38.460 0.259 0.000 0.981 190 Y HN -0.104 nan 8.280 nan 0.000 0.507 191 R N -0.146 120.558 120.500 0.339 0.000 2.083 191 R HA -0.186 4.154 4.340 -0.001 0.000 0.237 191 R C 1.816 178.185 176.300 0.116 0.000 1.137 191 R CA 1.505 57.699 56.100 0.156 0.000 0.951 191 R CB -0.550 29.641 30.300 -0.182 0.000 0.851 191 R HN 0.372 nan 8.270 nan 0.000 0.434 192 N N 0.831 119.532 118.700 0.001 0.000 2.364 192 N HA -0.122 4.617 4.740 -0.001 0.000 0.183 192 N C 1.311 176.726 175.510 -0.158 0.000 1.022 192 N CA 1.195 54.211 53.050 -0.057 0.000 0.883 192 N CB 0.027 38.467 38.487 -0.079 0.000 0.965 192 N HN 0.302 nan 8.380 nan 0.000 0.438 193 K N -0.885 119.338 120.400 -0.294 0.000 2.166 193 K HA 0.116 4.436 4.320 -0.001 0.000 0.201 193 K C 0.958 177.071 176.600 -0.811 0.000 1.052 193 K CA 0.751 56.642 56.287 -0.660 0.000 0.969 193 K CB 0.115 31.962 32.500 -1.089 0.000 0.761 193 K HN 0.076 nan 8.250 nan 0.000 0.459 194 F N -1.351 118.526 119.950 -0.122 0.000 2.653 194 F HA 0.151 4.678 4.527 -0.001 0.000 0.288 194 F C 0.291 176.101 175.800 0.016 0.000 1.121 194 F CA -0.369 57.551 58.000 -0.132 0.000 1.384 194 F CB 0.136 38.963 39.000 -0.288 0.000 1.115 194 F HN -0.157 nan 8.300 nan 0.000 0.599 195 Y N 2.304 122.699 120.300 0.158 0.000 2.632 195 Y HA 0.330 4.879 4.550 -0.001 0.000 0.336 195 Y C 0.706 176.717 175.900 0.184 0.000 1.237 195 Y CA -0.966 57.287 58.100 0.256 0.000 1.595 195 Y CB -0.688 37.947 38.460 0.290 0.000 1.508 195 Y HN -0.090 nan 8.280 nan 0.000 0.480 196 T N -1.012 113.515 114.554 -0.045 0.000 2.906 196 T HA 0.337 4.686 4.350 -0.001 0.000 0.295 196 T C -2.094 172.035 174.700 -0.952 0.000 1.061 196 T CA -2.527 59.234 62.100 -0.566 0.000 1.000 196 T CB 2.727 71.351 68.868 -0.407 0.000 1.103 196 T HN 0.051 nan 8.240 nan 0.000 0.486 197 P HA -0.195 nan 4.420 nan 0.000 0.216 197 P C 1.240 178.309 177.300 -0.384 0.000 1.150 197 P CA 1.374 63.901 63.100 -0.956 0.000 0.843 197 P CB 0.139 31.387 31.700 -0.753 0.000 0.787 198 E N -0.209 119.782 120.200 -0.349 0.000 2.418 198 E HA -0.139 4.210 4.350 -0.001 0.000 0.197 198 E C 0.920 177.438 176.600 -0.136 0.000 1.026 198 E CA 0.779 57.064 56.400 -0.191 0.000 0.862 198 E CB -0.944 28.649 29.700 -0.179 0.000 0.799 198 E HN 0.188 nan 8.360 nan 0.000 0.518 199 N N 0.218 118.822 118.700 -0.159 0.000 2.275 199 N HA 0.076 4.815 4.740 -0.001 0.000 0.236 199 N C -1.235 174.254 175.510 -0.035 0.000 1.154 199 N CA 0.009 53.004 53.050 -0.091 0.000 0.866 199 N CB 0.736 39.163 38.487 -0.099 0.000 1.093 199 N HN -0.060 nan 8.380 nan 0.000 0.515 200 T N -0.912 113.636 114.554 -0.011 0.000 2.906 200 T HA 0.543 4.892 4.350 -0.001 0.000 0.295 200 T C -1.005 173.765 174.700 0.117 0.000 1.061 200 T CA -0.536 61.613 62.100 0.083 0.000 1.000 200 T CB 2.346 71.326 68.868 0.186 0.000 1.103 200 T HN -0.290 nan 8.240 nan 0.000 0.486 201 V N 1.445 121.461 119.914 0.171 0.000 2.656 201 V HA 0.817 4.937 4.120 -0.001 0.000 0.307 201 V C -0.485 175.754 176.094 0.242 0.000 1.051 201 V CA -0.951 61.462 62.300 0.188 0.000 0.893 201 V CB 1.850 33.766 31.823 0.155 0.000 0.999 201 V HN 1.115 nan 8.190 nan 0.000 0.426 202 A N 3.476 126.421 122.820 0.208 0.000 2.273 202 A HA 0.938 5.258 4.320 -0.001 0.000 0.315 202 A C -0.093 177.554 177.584 0.105 0.000 1.256 202 A CA -0.154 51.966 52.037 0.137 0.000 0.851 202 A CB 1.026 20.156 19.000 0.217 0.000 1.172 202 A HN 1.339 nan 8.150 nan 0.000 0.508 203 A N 1.938 124.720 122.820 -0.064 0.000 2.380 203 A HA 0.971 5.290 4.320 -0.001 0.000 0.315 203 A C -1.139 176.237 177.584 -0.347 0.000 1.101 203 A CA -0.451 51.588 52.037 0.003 0.000 0.771 203 A CB 0.814 19.850 19.000 0.060 0.000 1.287 203 A HN 0.814 nan 8.150 nan 0.000 0.436 204 F N -0.116 119.936 119.950 0.170 0.000 2.608 204 F HA 0.575 5.101 4.527 -0.001 0.000 0.309 204 F C -0.372 175.506 175.800 0.130 0.000 1.103 204 F CA -0.828 57.259 58.000 0.145 0.000 0.954 204 F CB 2.322 41.392 39.000 0.116 0.000 1.267 204 F HN 0.304 nan 8.300 nan 0.000 0.444 205 V N 1.354 121.439 119.914 0.285 0.000 2.487 205 V HA 0.663 4.782 4.120 -0.001 0.000 0.298 205 V C 0.372 176.553 176.094 0.145 0.000 1.028 205 V CA -0.335 62.075 62.300 0.184 0.000 0.860 205 V CB 1.200 33.098 31.823 0.125 0.000 0.991 205 V HN 1.081 nan 8.190 nan 0.000 0.427 206 G N 4.230 113.093 108.800 0.104 0.000 2.147 206 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.244 206 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.244 206 G C -0.204 174.741 174.900 0.075 0.000 1.005 206 G CA 0.207 45.341 45.100 0.056 0.000 0.713 206 G HN 0.828 nan 8.290 nan 0.000 0.515 207 V N 0.867 120.840 119.914 0.099 0.000 2.487 207 V HA 0.503 4.622 4.120 -0.001 0.000 0.298 207 V C -1.898 174.198 176.094 0.003 0.000 1.028 207 V CA -1.821 60.507 62.300 0.045 0.000 0.860 207 V CB 2.136 33.981 31.823 0.037 0.000 0.991 207 V HN 0.114 nan 8.190 nan 0.000 0.427 208 P HA 0.057 nan 4.420 nan 0.000 0.265 208 P C 0.617 177.896 177.300 -0.034 0.000 1.193 208 P CA 0.220 63.317 63.100 -0.005 0.000 0.765 208 P CB 0.491 32.184 31.700 -0.012 0.000 0.823 209 H N 2.325 121.345 119.070 -0.083 0.000 2.353 209 H HA -0.226 4.330 4.556 -0.001 0.000 0.298 209 H C 1.790 177.049 175.328 -0.114 0.000 1.103 209 H CA 2.272 58.257 56.048 -0.105 0.000 1.293 209 H CB 0.014 29.723 29.762 -0.088 0.000 1.372 209 H HN 0.458 nan 8.280 nan 0.000 0.501 210 E N 0.247 120.421 120.200 -0.043 0.000 2.058 210 E HA -0.198 4.151 4.350 -0.001 0.000 0.194 210 E C 2.170 178.684 176.600 -0.144 0.000 0.997 210 E CA 1.591 57.941 56.400 -0.083 0.000 0.801 210 E CB -0.105 29.578 29.700 -0.029 0.000 0.746 210 E HN 0.264 nan 8.360 nan 0.000 0.450 211 K N 0.016 120.332 120.400 -0.140 0.000 2.097 211 K HA 0.007 4.326 4.320 -0.001 0.000 0.206 211 K C 1.800 178.246 176.600 -0.256 0.000 1.049 211 K CA 1.402 57.598 56.287 -0.151 0.000 0.933 211 K CB -0.586 31.846 32.500 -0.114 0.000 0.717 211 K HN 0.180 nan 8.250 nan 0.000 0.442 212 A N 0.497 123.064 122.820 -0.422 0.000 1.933 212 A HA -0.079 4.240 4.320 -0.001 0.000 0.218 212 A C 2.163 179.499 177.584 -0.415 0.000 1.175 212 A CA 1.434 53.049 52.037 -0.703 0.000 0.628 212 A CB -0.607 17.804 19.000 -0.983 0.000 0.814 212 A HN 0.314 nan 8.150 nan 0.000 0.444 213 L N -1.032 119.977 121.223 -0.357 0.000 2.093 213 L HA -0.177 4.163 4.340 -0.001 0.000 0.208 213 L C 2.587 179.384 176.870 -0.121 0.000 1.085 213 L CA 1.435 56.148 54.840 -0.213 0.000 0.755 213 L CB -0.499 41.435 42.059 -0.208 0.000 0.904 213 L HN 0.494 nan 8.230 nan 0.000 0.435 214 E N 0.323 120.446 120.200 -0.127 0.000 2.017 214 E HA -0.229 4.120 4.350 -0.001 0.000 0.193 214 E C 2.320 178.876 176.600 -0.074 0.000 0.997 214 E CA 1.310 57.657 56.400 -0.089 0.000 0.804 214 E CB -0.107 29.543 29.700 -0.083 0.000 0.757 214 E HN 0.385 nan 8.360 nan 0.000 0.448 215 L N 0.321 121.513 121.223 -0.051 0.000 2.083 215 L HA -0.185 4.154 4.340 -0.001 0.000 0.209 215 L C 2.617 179.575 176.870 0.146 0.000 1.083 215 L CA 1.179 56.054 54.840 0.058 0.000 0.752 215 L CB -0.554 41.587 42.059 0.137 0.000 0.899 215 L HN 0.202 nan 8.230 nan 0.000 0.433 216 T N -0.271 114.355 114.554 0.120 0.000 2.708 216 T HA -0.123 4.226 4.350 -0.001 0.000 0.266 216 T C 1.859 176.631 174.700 0.121 0.000 1.037 216 T CA 1.424 63.637 62.100 0.188 0.000 1.146 216 T CB -0.538 68.438 68.868 0.180 0.000 0.865 216 T HN 0.563 nan 8.240 nan 0.000 0.435 217 G N 1.256 110.081 108.800 0.041 0.000 2.422 217 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.218 217 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.218 217 G C 1.489 176.375 174.900 -0.023 0.000 1.146 217 G CA 1.057 46.169 45.100 0.020 0.000 0.769 217 G HN 0.472 nan 8.290 nan 0.000 0.547 218 K N -0.885 119.442 120.400 -0.122 0.000 2.097 218 K HA -0.054 4.265 4.320 -0.001 0.000 0.205 218 K C 1.783 178.166 176.600 -0.362 0.000 1.050 218 K CA 1.050 57.149 56.287 -0.314 0.000 0.938 218 K CB -0.146 32.021 32.500 -0.554 0.000 0.718 218 K HN 0.439 nan 8.250 nan 0.000 0.442 219 Y N -1.212 119.125 120.300 0.062 0.000 2.498 219 Y HA 0.147 4.697 4.550 -0.001 0.000 0.259 219 Y C 1.098 177.033 175.900 0.059 0.000 1.086 219 Y CA -0.142 57.996 58.100 0.064 0.000 1.287 219 Y CB 0.764 39.257 38.460 0.054 0.000 1.146 219 Y HN -0.018 nan 8.280 nan 0.000 0.523 220 L N -1.576 119.780 121.223 0.222 0.000 2.920 220 L HA 0.384 4.724 4.340 -0.001 0.000 0.257 220 L C 2.169 179.199 176.870 0.266 0.000 1.150 220 L CA 0.514 55.488 54.840 0.223 0.000 0.959 220 L CB -0.825 41.386 42.059 0.253 0.000 1.321 220 L HN 0.188 nan 8.230 nan 0.000 0.555 221 G N 0.883 109.786 108.800 0.173 0.000 2.476 221 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.218 221 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.218 221 G C 1.014 176.000 174.900 0.143 0.000 1.164 221 G CA 1.194 46.373 45.100 0.133 0.000 0.768 221 G HN 0.556 nan 8.290 nan 0.000 0.560 222 D N -1.401 119.094 120.400 0.157 0.000 2.328 222 D HA -0.030 4.610 4.640 -0.001 0.000 0.226 222 D C 0.379 176.823 176.300 0.240 0.000 1.066 222 D CA -0.664 53.431 54.000 0.158 0.000 0.861 222 D CB -0.319 40.561 40.800 0.135 0.000 0.912 222 D HN 0.268 nan 8.370 nan 0.000 0.521 223 W N 2.669 123.990 121.300 0.035 0.000 2.253 223 W HA 0.249 4.908 4.660 -0.001 0.000 0.322 223 W C -0.330 176.184 176.519 -0.009 0.000 1.342 223 W CA -0.698 56.650 57.345 0.004 0.000 1.218 223 W CB 0.388 29.835 29.460 -0.023 0.000 1.205 223 W HN -0.095 nan 8.180 nan 0.000 0.551 224 Q N 3.948 123.787 119.800 0.065 0.000 2.345 224 Q HA 0.332 4.672 4.340 -0.001 0.000 0.268 224 Q C -0.255 175.554 176.000 -0.318 0.000 1.054 224 Q CA -0.971 54.757 55.803 -0.125 0.000 0.835 224 Q CB 2.219 30.958 28.738 0.000 0.000 1.339 224 Q HN 0.460 nan 8.270 nan 0.000 0.447 225 S N -0.059 115.390 115.700 -0.419 0.000 2.600 225 S HA 0.096 4.565 4.470 -0.001 0.000 0.265 225 S C 0.869 175.218 174.600 -0.419 0.000 1.325 225 S CA 0.182 58.056 58.200 -0.544 0.000 1.002 225 S CB 0.502 63.245 63.200 -0.761 0.000 0.921 225 S HN 0.749 nan 8.310 nan 0.000 0.554 226 T N -0.219 114.133 114.554 -0.337 0.000 3.054 226 T HA 0.244 4.594 4.350 -0.001 0.000 0.255 226 T C 0.116 174.763 174.700 -0.087 0.000 1.035 226 T CA -0.062 61.948 62.100 -0.150 0.000 0.941 226 T CB -0.488 68.321 68.868 -0.097 0.000 1.026 226 T HN 0.822 nan 8.240 nan 0.000 0.533 227 H N 2.279 121.284 119.070 -0.109 0.000 2.592 227 H HA -0.076 4.479 4.556 -0.001 0.000 0.323 227 H C -2.126 173.140 175.328 -0.103 0.000 1.117 227 H CA 0.663 56.650 56.048 -0.101 0.000 1.120 227 H CB -1.579 28.137 29.762 -0.075 0.000 1.561 227 H HN 0.531 nan 8.280 nan 0.000 0.409 228 P HA 0.237 nan 4.420 nan 0.000 0.276 228 P C -2.383 174.856 177.300 -0.102 0.000 1.261 228 P CA -1.336 61.696 63.100 -0.113 0.000 0.800 228 P CB 0.409 31.980 31.700 -0.215 0.000 1.066 229 P HA 0.225 nan 4.420 nan 0.000 0.276 229 P C -0.468 176.768 177.300 -0.105 0.000 1.243 229 P CA -0.110 62.945 63.100 -0.076 0.000 0.768 229 P CB -0.094 31.573 31.700 -0.055 0.000 0.856 230 I N 2.822 123.348 120.570 -0.074 0.000 2.578 230 I HA 0.045 4.215 4.170 -0.001 0.000 0.286 230 I C 1.261 177.357 176.117 -0.035 0.000 1.126 230 I CA 0.792 62.050 61.300 -0.071 0.000 1.380 230 I CB -0.482 37.494 38.000 -0.039 0.000 1.408 230 I HN 0.361 nan 8.210 nan 0.000 0.532 231 T N 2.045 116.582 114.554 -0.030 0.000 3.331 231 T HA 0.311 4.661 4.350 -0.001 0.000 0.282 231 T C 0.346 175.126 174.700 0.132 0.000 1.010 231 T CA -0.770 61.357 62.100 0.045 0.000 0.928 231 T CB -0.499 68.399 68.868 0.050 0.000 1.154 231 T HN 0.386 nan 8.240 nan 0.000 0.516 232 K N 2.401 122.874 120.400 0.122 0.000 2.250 232 K HA 0.334 4.654 4.320 -0.001 0.000 0.280 232 K C -0.204 176.504 176.600 0.179 0.000 1.098 232 K CA -0.419 56.003 56.287 0.226 0.000 0.916 232 K CB 0.965 33.577 32.500 0.186 0.000 1.209 232 K HN 0.341 nan 8.250 nan 0.000 0.461 233 K N 1.588 122.088 120.400 0.167 0.000 2.218 233 K HA 0.161 4.480 4.320 -0.001 0.000 0.276 233 K C 0.371 177.015 176.600 0.074 0.000 1.022 233 K CA -0.780 55.566 56.287 0.098 0.000 0.946 233 K CB 0.952 33.494 32.500 0.071 0.000 1.000 233 K HN 0.292 nan 8.250 nan 0.000 0.468 234 V N -0.402 119.550 119.914 0.063 0.000 2.881 234 V HA 0.431 4.550 4.120 -0.001 0.000 0.303 234 V C 0.266 176.379 176.094 0.032 0.000 1.070 234 V CA -0.946 61.386 62.300 0.054 0.000 1.074 234 V CB 0.915 32.779 31.823 0.068 0.000 1.012 234 V HN 0.814 nan 8.190 nan 0.000 0.482 235 A N 3.731 126.559 122.820 0.014 0.000 2.409 235 A HA 0.480 4.799 4.320 -0.001 0.000 0.262 235 A C 0.210 177.894 177.584 0.167 0.000 1.113 235 A CA -0.397 51.639 52.037 -0.000 0.000 0.790 235 A CB -0.040 18.885 19.000 -0.124 0.000 1.046 235 A HN 0.947 nan 8.150 nan 0.000 0.496 236 Q N 1.834 121.778 119.800 0.240 0.000 2.413 236 Q HA 0.215 4.554 4.340 -0.001 0.000 0.258 236 Q C -1.424 174.785 176.000 0.349 0.000 1.037 236 Q CA -0.365 55.591 55.803 0.256 0.000 0.764 236 Q CB 1.633 30.459 28.738 0.147 0.000 1.217 236 Q HN 0.752 nan 8.270 nan 0.000 0.490 237 Y N 2.333 122.750 120.300 0.194 0.000 2.526 237 Y HA -0.067 4.482 4.550 -0.001 0.000 0.330 237 Y C 1.137 176.988 175.900 -0.081 0.000 1.156 237 Y CA 1.323 59.358 58.100 -0.108 0.000 1.419 237 Y CB 0.821 39.209 38.460 -0.121 0.000 1.250 237 Y HN 0.669 nan 8.280 nan 0.000 0.540 238 T N 1.751 115.904 114.554 -0.669 0.000 2.987 238 T HA 0.525 4.874 4.350 -0.001 0.000 0.248 238 T C 0.870 175.243 174.700 -0.544 0.000 0.997 238 T CA 0.331 62.190 62.100 -0.401 0.000 1.013 238 T CB -0.445 68.274 68.868 -0.248 0.000 1.077 238 T HN 1.483 nan 8.240 nan 0.000 0.483 239 G N -0.114 108.064 108.800 -1.036 0.000 2.756 239 G HA2 0.418 4.378 3.960 -0.001 0.000 0.678 239 G HA3 0.418 4.378 3.960 -0.001 0.000 0.678 239 G C -0.017 174.670 174.900 -0.356 0.000 1.349 239 G CA -0.536 44.185 45.100 -0.633 0.000 0.847 239 G HN 1.904 nan 8.290 nan 0.000 0.548 240 G N -1.042 107.623 108.800 -0.226 0.000 2.352 240 G HA2 0.595 4.555 3.960 -0.001 0.000 0.302 240 G HA3 0.595 4.555 3.960 -0.001 0.000 0.302 240 G C -1.168 173.656 174.900 -0.127 0.000 1.370 240 G CA 0.278 45.285 45.100 -0.156 0.000 0.918 240 G HN 0.979 nan 8.290 nan 0.000 0.610 241 E N -0.961 119.181 120.200 -0.097 0.000 2.312 241 E HA 0.773 5.122 4.350 -0.001 0.000 0.267 241 E C -0.977 175.576 176.600 -0.077 0.000 0.894 241 E CA -0.845 55.502 56.400 -0.088 0.000 0.773 241 E CB 2.359 32.017 29.700 -0.071 0.000 1.241 241 E HN 0.551 nan 8.360 nan 0.000 0.432 242 S N 0.516 116.167 115.700 -0.083 0.000 2.558 242 S HA 0.422 4.891 4.470 -0.001 0.000 0.277 242 S C -2.083 172.470 174.600 -0.079 0.000 1.143 242 S CA -0.565 57.596 58.200 -0.065 0.000 0.865 242 S CB 1.366 64.537 63.200 -0.048 0.000 1.102 242 S HN 0.593 nan 8.310 nan 0.000 0.454 243 C N 5.628 124.892 119.300 -0.060 0.000 2.642 243 C HA 0.774 5.233 4.460 -0.001 0.000 0.344 243 C C -0.951 174.014 174.990 -0.041 0.000 1.110 243 C CA -0.689 58.289 59.018 -0.066 0.000 1.298 243 C CB -0.449 27.252 27.740 -0.064 0.000 1.827 243 C HN 0.856 nan 8.230 nan 0.000 0.467 244 I N 3.268 123.819 120.570 -0.032 0.000 2.707 244 I HA 0.725 4.894 4.170 -0.001 0.000 0.309 244 I C -2.573 173.520 176.117 -0.040 0.000 1.001 244 I CA -2.537 58.751 61.300 -0.021 0.000 1.129 244 I CB 1.251 39.265 38.000 0.024 0.000 1.308 244 I HN 0.321 nan 8.210 nan 0.000 0.466 245 P HA 0.163 nan 4.420 nan 0.000 0.267 245 P C -2.500 174.768 177.300 -0.054 0.000 1.201 245 P CA -0.441 62.627 63.100 -0.053 0.000 0.775 245 P CB -0.370 31.308 31.700 -0.037 0.000 0.854 246 P HA 0.046 nan 4.420 nan 0.000 0.267 246 P C -0.468 176.843 177.300 0.019 0.000 1.200 246 P CA 0.357 63.429 63.100 -0.047 0.000 0.772 246 P CB 0.260 31.977 31.700 0.028 0.000 0.855 247 A N 4.914 127.772 122.820 0.064 0.000 2.407 247 A HA 0.389 4.709 4.320 -0.001 0.000 0.248 247 A C -1.967 175.555 177.584 -0.104 0.000 1.082 247 A CA -1.002 51.053 52.037 0.030 0.000 0.785 247 A CB -1.290 17.776 19.000 0.109 0.000 1.020 247 A HN 0.430 nan 8.150 nan 0.000 0.489 248 P HA 0.219 nan 4.420 nan 0.000 0.266 248 P C -0.427 176.461 177.300 -0.687 0.000 1.195 248 P CA -0.122 62.786 63.100 -0.321 0.000 0.768 248 P CB 0.468 32.038 31.700 -0.218 0.000 0.838 249 V N 1.430 121.090 119.914 -0.423 0.000 2.387 249 V HA 0.206 4.326 4.120 -0.001 0.000 0.260 249 V C 0.481 176.375 176.094 -0.334 0.000 1.054 249 V CA -0.201 61.872 62.300 -0.378 0.000 0.967 249 V CB -1.252 30.486 31.823 -0.143 0.000 1.036 249 V HN 0.252 nan 8.190 nan 0.000 0.481 250 F N 4.254 124.227 119.950 0.039 0.000 2.170 250 F HA 0.544 5.070 4.527 -0.001 0.000 0.180 250 F C 2.046 177.858 175.800 0.020 0.000 0.656 250 F CA 1.020 59.038 58.000 0.029 0.000 1.090 250 F CB -1.051 37.967 39.000 0.030 0.000 2.240 250 F HN 0.576 nan 8.300 nan 0.000 0.687 251 G N -0.138 108.820 108.800 0.264 0.000 2.558 251 G HA2 -0.069 3.891 3.960 -0.001 0.000 0.218 251 G HA3 -0.069 3.891 3.960 -0.001 0.000 0.218 251 G C 0.870 175.827 174.900 0.094 0.000 1.567 251 G CA 0.466 45.643 45.100 0.130 0.000 0.950 251 G HN 0.557 nan 8.290 nan 0.000 0.517 252 N N -0.084 118.664 118.700 0.079 0.000 2.415 252 N HA 0.110 4.849 4.740 -0.001 0.000 0.176 252 N C 0.913 176.463 175.510 0.065 0.000 1.042 252 N CA -0.125 52.957 53.050 0.053 0.000 0.902 252 N CB -0.393 38.112 38.487 0.029 0.000 0.986 252 N HN 0.289 nan 8.380 nan 0.000 0.447 253 L N 1.426 122.715 121.223 0.111 0.000 2.578 253 L HA 0.142 4.482 4.340 -0.001 0.000 0.279 253 L C -1.867 175.069 176.870 0.110 0.000 1.227 253 L CA -1.256 53.663 54.840 0.133 0.000 0.900 253 L CB -0.239 41.970 42.059 0.250 0.000 1.144 253 L HN 0.075 nan 8.230 nan 0.000 0.496 254 P HA 0.108 nan 4.420 nan 0.000 0.275 254 P C -0.662 176.668 177.300 0.051 0.000 1.228 254 P CA -0.516 62.612 63.100 0.046 0.000 0.786 254 P CB 0.632 32.352 31.700 0.034 0.000 0.927 255 E N 2.502 122.708 120.200 0.010 0.000 2.316 255 E HA 0.321 4.670 4.350 -0.001 0.000 0.275 255 E C -1.124 175.468 176.600 -0.012 0.000 1.029 255 E CA -0.320 56.083 56.400 0.005 0.000 0.871 255 E CB 0.204 29.886 29.700 -0.030 0.000 1.022 255 E HN 0.345 nan 8.360 nan 0.000 0.418 256 L N 4.118 125.363 121.223 0.037 0.000 2.388 256 L HA 0.501 4.841 4.340 -0.001 0.000 0.264 256 L C -0.867 176.041 176.870 0.063 0.000 0.998 256 L CA -1.054 53.759 54.840 -0.044 0.000 0.817 256 L CB 1.280 43.264 42.059 -0.125 0.000 1.338 256 L HN 0.544 nan 8.230 nan 0.000 0.414 257 F N 0.715 120.512 119.950 -0.256 0.000 2.440 257 F HA 0.581 5.107 4.527 -0.001 0.000 0.328 257 F C 0.409 176.062 175.800 -0.244 0.000 1.070 257 F CA -0.779 57.155 58.000 -0.110 0.000 1.011 257 F CB 1.315 40.329 39.000 0.023 0.000 1.226 257 F HN 0.321 nan 8.300 nan 0.000 0.491 258 H N 2.110 121.409 119.070 0.382 0.000 2.821 258 H HA 0.635 5.191 4.556 -0.001 0.000 0.373 258 H C -1.146 174.263 175.328 0.136 0.000 1.165 258 H CA -0.711 55.478 56.048 0.236 0.000 1.154 258 H CB 3.272 33.117 29.762 0.138 0.000 1.765 258 H HN 0.580 nan 8.280 nan 0.000 0.549 259 I N 1.175 121.869 120.570 0.208 0.000 2.752 259 I HA 0.201 4.370 4.170 -0.001 0.000 0.295 259 I C -1.550 174.609 176.117 0.070 0.000 1.219 259 I CA -0.370 60.933 61.300 0.005 0.000 1.030 259 I CB 2.587 40.541 38.000 -0.077 0.000 1.259 259 I HN 0.503 nan 8.210 nan 0.000 0.423 260 Q N 7.357 127.176 119.800 0.032 0.000 2.323 260 Q HA 0.614 4.953 4.340 -0.001 0.000 0.271 260 Q C -1.488 174.579 176.000 0.111 0.000 1.048 260 Q CA -0.730 55.159 55.803 0.144 0.000 0.792 260 Q CB 3.229 32.018 28.738 0.085 0.000 1.280 260 Q HN 0.547 nan 8.270 nan 0.000 0.441 261 I N 1.347 122.027 120.570 0.184 0.000 2.478 261 I HA 0.641 4.811 4.170 -0.001 0.000 0.287 261 I C -0.064 176.136 176.117 0.139 0.000 1.042 261 I CA -0.613 60.732 61.300 0.075 0.000 1.067 261 I CB 2.101 40.112 38.000 0.019 0.000 1.233 261 I HN 0.679 nan 8.210 nan 0.000 0.431 262 G N 4.834 113.668 108.800 0.056 0.000 2.725 262 G HA2 0.813 4.773 3.960 -0.001 0.000 0.288 262 G HA3 0.813 4.773 3.960 -0.001 0.000 0.288 262 G C -1.692 173.087 174.900 -0.202 0.000 1.399 262 G CA -0.395 44.785 45.100 0.134 0.000 0.859 262 G HN 0.306 nan 8.290 nan 0.000 0.479 263 F N -0.849 119.228 119.950 0.212 0.000 2.620 263 F HA 0.475 5.001 4.527 -0.001 0.000 0.320 263 F C 0.374 176.043 175.800 -0.217 0.000 1.069 263 F CA -0.823 57.207 58.000 0.050 0.000 0.953 263 F CB 2.234 41.256 39.000 0.037 0.000 1.322 263 F HN 0.536 nan 8.300 nan 0.000 0.479 264 E N 0.785 120.597 120.200 -0.646 0.000 2.465 264 E HA 0.355 4.704 4.350 -0.001 0.000 0.260 264 E C 0.197 176.648 176.600 -0.249 0.000 0.980 264 E CA 0.164 56.100 56.400 -0.773 0.000 0.927 264 E CB 0.594 29.619 29.700 -1.124 0.000 0.934 264 E HN 0.761 nan 8.360 nan 0.000 0.459 265 G N 3.978 112.730 108.800 -0.080 0.000 2.882 265 G HA2 0.476 4.435 3.960 -0.001 0.000 0.164 265 G HA3 0.476 4.435 3.960 -0.001 0.000 0.164 265 G C -0.602 174.229 174.900 -0.115 0.000 1.429 265 G CA -0.655 44.408 45.100 -0.062 0.000 1.059 265 G HN 0.510 nan 8.290 nan 0.000 0.581 266 L N 0.300 121.456 121.223 -0.112 0.000 2.323 266 L HA 0.430 4.769 4.340 -0.001 0.000 0.265 266 L C -2.475 174.382 176.870 -0.021 0.000 1.012 266 L CA -1.983 52.767 54.840 -0.150 0.000 0.820 266 L CB 2.600 44.452 42.059 -0.344 0.000 1.334 266 L HN 0.210 nan 8.230 nan 0.000 0.427 267 P HA 0.063 nan 4.420 nan 0.000 0.275 267 P C 0.871 178.200 177.300 0.049 0.000 1.228 267 P CA -0.479 62.674 63.100 0.088 0.000 0.786 267 P CB 0.456 32.230 31.700 0.123 0.000 0.927 268 I N 0.773 121.363 120.570 0.034 0.000 2.657 268 I HA -0.175 3.995 4.170 -0.001 0.000 0.261 268 I C 0.320 176.419 176.117 -0.032 0.000 1.212 268 I CA 1.859 63.151 61.300 -0.013 0.000 1.453 268 I CB -1.542 36.462 38.000 0.007 0.000 1.092 268 I HN 0.235 nan 8.210 nan 0.000 0.452 269 D N -1.032 119.370 120.400 0.002 0.000 2.395 269 D HA -0.002 4.638 4.640 -0.001 0.000 0.213 269 D C 1.057 177.319 176.300 -0.064 0.000 1.110 269 D CA -0.324 53.633 54.000 -0.072 0.000 0.835 269 D CB -0.750 39.970 40.800 -0.135 0.000 0.965 269 D HN 0.389 nan 8.370 nan 0.000 0.505 270 H N 1.483 120.489 119.070 -0.106 0.000 2.815 270 H HA 0.076 4.631 4.556 -0.001 0.000 0.350 270 H C -1.512 173.748 175.328 -0.113 0.000 1.080 270 H CA -1.028 54.964 56.048 -0.093 0.000 1.433 270 H CB 1.551 31.263 29.762 -0.083 0.000 1.432 270 H HN -0.194 nan 8.280 nan 0.000 0.592 271 P HA -0.133 nan 4.420 nan 0.000 0.216 271 P C 0.433 177.810 177.300 0.127 0.000 1.150 271 P CA 1.358 64.427 63.100 -0.051 0.000 0.843 271 P CB 0.332 31.936 31.700 -0.160 0.000 0.787 272 D N -1.575 119.036 120.400 0.353 0.000 2.325 272 D HA 0.028 4.668 4.640 -0.001 0.000 0.225 272 D C 1.641 177.933 176.300 -0.015 0.000 1.096 272 D CA -0.121 53.954 54.000 0.125 0.000 0.844 272 D CB -0.292 40.530 40.800 0.037 0.000 0.925 272 D HN 0.062 nan 8.370 nan 0.000 0.513 273 I N 0.531 121.065 120.570 -0.059 0.000 2.264 273 I HA -0.288 3.881 4.170 -0.001 0.000 0.248 273 I C 1.529 177.520 176.117 -0.212 0.000 1.111 273 I CA 1.391 62.571 61.300 -0.199 0.000 1.382 273 I CB -0.433 37.393 38.000 -0.291 0.000 1.060 273 I HN 0.023 nan 8.210 nan 0.000 0.418 274 Y N 0.786 121.083 120.300 -0.005 0.000 2.242 274 Y HA -0.110 4.440 4.550 -0.001 0.000 0.291 274 Y C 2.590 178.476 175.900 -0.023 0.000 1.137 274 Y CA 1.270 59.364 58.100 -0.010 0.000 1.181 274 Y CB -1.096 37.358 38.460 -0.009 0.000 0.989 274 Y HN 0.179 nan 8.280 nan 0.000 0.527 275 A N -0.224 122.655 122.820 0.098 0.000 1.902 275 A HA -0.157 4.162 4.320 -0.001 0.000 0.217 275 A C 2.185 179.741 177.584 -0.047 0.000 1.181 275 A CA 1.546 53.594 52.037 0.017 0.000 0.623 275 A CB -1.025 17.961 19.000 -0.024 0.000 0.818 275 A HN 0.393 nan 8.150 nan 0.000 0.443 276 L N -0.237 120.923 121.223 -0.105 0.000 2.046 276 L HA -0.047 4.292 4.340 -0.001 0.000 0.208 276 L C 2.685 179.555 176.870 0.000 0.000 1.077 276 L CA 2.099 56.831 54.840 -0.181 0.000 0.747 276 L CB -0.766 41.148 42.059 -0.243 0.000 0.896 276 L HN 0.345 nan 8.230 nan 0.000 0.432 277 A N -1.883 120.959 122.820 0.036 0.000 1.933 277 A HA -0.178 4.141 4.320 -0.001 0.000 0.218 277 A C 2.237 179.878 177.584 0.095 0.000 1.175 277 A CA 2.122 54.210 52.037 0.085 0.000 0.628 277 A CB -1.059 17.980 19.000 0.065 0.000 0.814 277 A HN 0.499 nan 8.150 nan 0.000 0.444 278 T N 0.090 114.690 114.554 0.077 0.000 2.821 278 T HA -0.111 4.239 4.350 -0.001 0.000 0.267 278 T C 1.816 176.561 174.700 0.074 0.000 1.046 278 T CA 1.408 63.549 62.100 0.069 0.000 1.139 278 T CB -0.328 68.573 68.868 0.054 0.000 0.871 278 T HN 0.333 nan 8.240 nan 0.000 0.454 279 L N 1.435 122.697 121.223 0.064 0.000 2.046 279 L HA -0.051 4.288 4.340 -0.001 0.000 0.208 279 L C 2.506 179.502 176.870 0.209 0.000 1.077 279 L CA 1.773 56.669 54.840 0.094 0.000 0.747 279 L CB -0.832 41.213 42.059 -0.023 0.000 0.896 279 L HN 0.127 nan 8.230 nan 0.000 0.432 280 Q N -0.889 119.080 119.800 0.282 0.000 2.124 280 Q HA -0.185 4.155 4.340 -0.001 0.000 0.202 280 Q C 1.921 177.975 176.000 0.090 0.000 0.977 280 Q CA 2.325 58.251 55.803 0.205 0.000 0.850 280 Q CB -0.152 28.674 28.738 0.147 0.000 0.901 280 Q HN 0.601 nan 8.270 nan 0.000 0.429 281 T N 1.704 116.312 114.554 0.089 0.000 2.857 281 T HA -0.061 4.288 4.350 -0.001 0.000 0.266 281 T C 1.867 176.612 174.700 0.074 0.000 1.048 281 T CA 0.856 62.998 62.100 0.070 0.000 1.139 281 T CB -0.161 68.747 68.868 0.067 0.000 0.874 281 T HN 0.287 nan 8.240 nan 0.000 0.455 282 L N 0.436 121.706 121.223 0.078 0.000 2.093 282 L HA 0.019 4.358 4.340 -0.001 0.000 0.208 282 L C 2.089 178.995 176.870 0.059 0.000 1.085 282 L CA 1.239 56.121 54.840 0.069 0.000 0.755 282 L CB -0.213 41.886 42.059 0.066 0.000 0.904 282 L HN 0.256 nan 8.230 nan 0.000 0.435 283 L N -0.808 120.456 121.223 0.068 0.000 2.044 283 L HA 0.053 4.393 4.340 -0.001 0.000 0.205 283 L C 1.953 178.835 176.870 0.019 0.000 1.075 283 L CA 0.743 55.605 54.840 0.036 0.000 0.747 283 L CB -1.157 40.938 42.059 0.060 0.000 0.903 283 L HN 0.533 nan 8.230 nan 0.000 0.435 284 G N -0.243 108.576 108.800 0.031 0.000 2.660 284 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.321 284 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.321 284 G C 0.623 175.516 174.900 -0.013 0.000 1.246 284 G CA 0.390 45.514 45.100 0.041 0.000 1.000 284 G HN 1.107 nan 8.290 nan 0.000 0.550 285 G N -2.577 106.207 108.800 -0.026 0.000 2.582 285 G HA2 0.571 4.531 3.960 -0.001 0.000 0.222 285 G HA3 0.571 4.531 3.960 -0.001 0.000 0.222 285 G C 0.798 175.527 174.900 -0.285 0.000 1.311 285 G CA 0.601 45.512 45.100 -0.315 0.000 0.915 285 G HN 3.073 nan 8.290 nan 0.000 0.528 286 G N -2.065 106.515 108.800 -0.368 0.000 2.404 286 G HA2 0.711 4.671 3.960 -0.001 0.000 0.253 286 G HA3 0.711 4.671 3.960 -0.001 0.000 0.253 286 G C 0.143 174.991 174.900 -0.086 0.000 1.253 286 G CA 0.769 45.798 45.100 -0.118 0.000 0.917 286 G HN 2.298 nan 8.290 nan 0.000 0.480 287 G N -0.555 108.286 108.800 0.069 0.000 2.367 287 G HA2 0.480 4.439 3.960 -0.001 0.000 0.314 287 G HA3 0.480 4.439 3.960 -0.001 0.000 0.314 287 G C 0.935 175.943 174.900 0.179 0.000 1.130 287 G CA 0.974 46.147 45.100 0.123 0.000 0.864 287 G HN 1.174 nan 8.290 nan 0.000 0.486 288 S N 0.986 116.784 115.700 0.163 0.000 2.559 288 S HA -0.120 4.350 4.470 -0.001 0.000 0.250 288 S C 1.326 176.095 174.600 0.282 0.000 0.977 288 S CA 0.760 59.080 58.200 0.199 0.000 0.958 288 S CB -0.380 62.916 63.200 0.159 0.000 0.751 288 S HN 0.553 nan 8.310 nan 0.000 0.534 289 F N 2.206 122.224 119.950 0.113 0.000 2.399 289 F HA 0.219 4.746 4.527 -0.001 0.000 0.282 289 F C 1.140 176.994 175.800 0.090 0.000 1.027 289 F CA 1.081 59.133 58.000 0.086 0.000 1.333 289 F CB -0.686 38.353 39.000 0.066 0.000 1.132 289 F HN 0.208 nan 8.300 nan 0.000 0.590 290 S N 0.896 116.580 115.700 -0.027 0.000 3.275 290 S HA -0.119 4.351 4.470 -0.001 0.000 0.385 290 S C -0.219 174.113 174.600 -0.447 0.000 0.887 290 S CA -0.006 58.116 58.200 -0.131 0.000 1.346 290 S CB -2.404 60.791 63.200 -0.010 0.000 0.955 290 S HN 1.053 nan 8.310 nan 0.000 0.587 291 A N 2.980 125.472 122.820 -0.547 0.000 2.289 291 A HA 0.890 5.209 4.320 -0.001 0.000 0.298 291 A C 1.077 178.538 177.584 -0.205 0.000 1.208 291 A CA 0.152 51.877 52.037 -0.519 0.000 0.845 291 A CB 0.642 19.385 19.000 -0.429 0.000 1.125 291 A HN 2.631 nan 8.150 nan 0.000 0.517 292 G N 0.603 109.299 108.800 -0.173 0.000 2.353 292 G HA2 0.542 4.501 3.960 -0.001 0.000 0.308 292 G HA3 0.542 4.501 3.960 -0.001 0.000 0.308 292 G C -0.114 174.729 174.900 -0.095 0.000 1.418 292 G CA -0.122 44.920 45.100 -0.097 0.000 0.966 292 G HN 1.417 nan 8.290 nan 0.000 0.638 293 G N -0.408 108.356 108.800 -0.060 0.000 2.563 293 G HA2 0.697 4.657 3.960 -0.001 0.000 0.283 293 G HA3 0.697 4.657 3.960 -0.001 0.000 0.283 293 G C -2.079 172.791 174.900 -0.049 0.000 1.309 293 G CA -0.832 44.237 45.100 -0.051 0.000 1.022 293 G HN 0.626 nan 8.290 nan 0.000 0.501 294 P HA 0.242 nan 4.420 nan 0.000 0.269 294 P C 0.869 178.167 177.300 -0.002 0.000 1.211 294 P CA 1.456 64.550 63.100 -0.011 0.000 0.781 294 P CB 0.649 32.359 31.700 0.017 0.000 0.877 295 G N 1.090 109.899 108.800 0.015 0.000 2.176 295 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.232 295 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.232 295 G C 0.861 175.767 174.900 0.011 0.000 0.986 295 G CA 0.459 45.572 45.100 0.021 0.000 0.643 295 G HN 0.669 nan 8.290 nan 0.000 0.522 296 K N 0.337 120.724 120.400 -0.020 0.000 2.366 296 K HA 0.443 4.763 4.320 -0.001 0.000 0.198 296 K C 1.579 178.172 176.600 -0.012 0.000 1.044 296 K CA 1.015 57.285 56.287 -0.028 0.000 0.973 296 K CB 0.142 32.596 32.500 -0.077 0.000 0.767 296 K HN 1.598 nan 8.250 nan 0.000 0.475 297 G N 2.443 111.226 108.800 -0.028 0.000 2.173 297 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.174 297 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.174 297 G C 0.497 175.331 174.900 -0.110 0.000 1.025 297 G CA 0.220 45.332 45.100 0.020 0.000 0.706 297 G HN 0.387 nan 8.290 nan 0.000 0.499 298 M N -2.033 117.318 119.600 -0.416 0.000 2.630 298 M HA 0.291 4.771 4.480 -0.001 0.000 0.254 298 M C 1.341 177.317 176.300 -0.540 0.000 1.092 298 M CA 1.021 55.822 55.300 -0.831 0.000 1.087 298 M CB -0.315 31.750 32.600 -0.891 0.000 1.453 298 M HN 0.161 nan 8.290 nan 0.000 0.509 299 Y N 1.926 122.197 120.300 -0.048 0.000 2.625 299 Y HA 0.301 4.851 4.550 -0.000 0.000 0.285 299 Y C 1.078 177.014 175.900 0.059 0.000 1.168 299 Y CA -0.776 57.334 58.100 0.017 0.000 1.250 299 Y CB -0.224 38.237 38.460 0.001 0.000 1.130 299 Y HN 0.293 nan 8.280 nan 0.000 0.526 300 S N -1.051 114.765 115.700 0.194 0.000 2.616 300 S HA 0.316 4.786 4.470 -0.001 0.000 0.277 300 S C 1.262 175.918 174.600 0.094 0.000 1.234 300 S CA -0.886 57.404 58.200 0.150 0.000 1.028 300 S CB 1.656 64.955 63.200 0.165 0.000 0.988 300 S HN 0.364 nan 8.310 nan 0.000 0.522 301 R N 0.315 120.799 120.500 -0.027 0.000 2.103 301 R HA -0.076 4.263 4.340 -0.001 0.000 0.242 301 R C 1.907 178.110 176.300 -0.160 0.000 1.142 301 R CA 1.690 57.646 56.100 -0.240 0.000 0.960 301 R CB -0.905 29.186 30.300 -0.349 0.000 0.858 301 R HN 0.670 nan 8.270 nan 0.000 0.439 302 L N -0.698 120.480 121.223 -0.074 0.000 2.191 302 L HA -0.197 4.142 4.340 -0.001 0.000 0.212 302 L C 2.093 178.914 176.870 -0.081 0.000 1.103 302 L CA 1.109 55.903 54.840 -0.077 0.000 0.769 302 L CB -0.406 41.584 42.059 -0.115 0.000 0.908 302 L HN 0.174 nan 8.230 nan 0.000 0.438 303 Y N 0.296 120.593 120.300 -0.004 0.000 2.153 303 Y HA -0.197 4.352 4.550 -0.001 0.000 0.289 303 Y C 2.873 178.786 175.900 0.022 0.000 1.127 303 Y CA 1.815 59.912 58.100 -0.006 0.000 1.131 303 Y CB -0.654 37.776 38.460 -0.049 0.000 0.995 303 Y HN 0.041 nan 8.280 nan 0.000 0.505 304 T N -1.023 113.672 114.554 0.235 0.000 2.684 304 T HA -0.197 4.152 4.350 -0.001 0.000 0.267 304 T C 1.201 176.098 174.700 0.328 0.000 1.036 304 T CA 2.076 64.334 62.100 0.262 0.000 1.148 304 T CB -0.348 68.720 68.868 0.334 0.000 0.863 304 T HN 0.342 nan 8.240 nan 0.000 0.436 305 H N -0.685 118.413 119.070 0.047 0.000 2.553 305 H HA 0.401 4.957 4.556 -0.001 0.000 0.265 305 H C 1.610 176.980 175.328 0.069 0.000 0.964 305 H CA -0.136 55.935 56.048 0.038 0.000 1.156 305 H CB 0.113 29.913 29.762 0.063 0.000 1.411 305 H HN 0.221 nan 8.280 nan 0.000 0.558 306 V N -0.890 119.134 119.914 0.184 0.000 3.449 306 V HA -0.027 4.092 4.120 -0.001 0.000 0.208 306 V C 1.946 178.100 176.094 0.100 0.000 1.269 306 V CA -0.019 62.411 62.300 0.217 0.000 1.301 306 V CB -0.099 31.798 31.823 0.124 0.000 1.306 306 V HN 0.085 nan 8.190 nan 0.000 0.531 307 L N 1.462 122.692 121.223 0.012 0.000 1.989 307 L HA -0.144 4.196 4.340 -0.001 0.000 0.211 307 L C 2.163 179.038 176.870 0.009 0.000 1.071 307 L CA 2.095 56.932 54.840 -0.005 0.000 0.749 307 L CB -1.728 40.306 42.059 -0.043 0.000 0.890 307 L HN 0.430 nan 8.230 nan 0.000 0.431 308 N N -0.641 118.081 118.700 0.036 0.000 2.520 308 N HA -0.131 4.609 4.740 -0.001 0.000 0.185 308 N C 1.778 177.201 175.510 -0.143 0.000 1.068 308 N CA 0.565 53.612 53.050 -0.006 0.000 0.911 308 N CB 0.058 38.560 38.487 0.025 0.000 0.961 308 N HN 0.451 nan 8.380 nan 0.000 0.446 309 Q N -0.587 119.056 119.800 -0.261 0.000 2.304 309 Q HA 0.120 4.459 4.340 -0.001 0.000 0.204 309 Q C -0.141 175.332 176.000 -0.879 0.000 0.936 309 Q CA 0.750 56.212 55.803 -0.568 0.000 0.878 309 Q CB 0.184 28.468 28.738 -0.757 0.000 0.983 309 Q HN 0.388 nan 8.270 nan 0.000 0.516 310 Y N 0.228 120.188 120.300 -0.566 0.000 2.341 310 Y HA 0.214 4.764 4.550 -0.001 0.000 0.338 310 Y C 0.407 175.770 175.900 -0.894 0.000 0.965 310 Y CA -1.031 56.440 58.100 -1.049 0.000 1.108 310 Y CB 0.788 38.524 38.460 -1.206 0.000 1.180 310 Y HN 0.039 nan 8.280 nan 0.000 0.458 311 Y N -0.647 119.415 120.300 -0.396 0.000 2.442 311 Y HA 0.097 4.646 4.550 -0.001 0.000 0.250 311 Y C 1.379 177.205 175.900 -0.123 0.000 1.113 311 Y CA -0.870 57.122 58.100 -0.180 0.000 1.273 311 Y CB -0.329 38.095 38.460 -0.061 0.000 1.138 311 Y HN 0.529 nan 8.280 nan 0.000 0.522 312 F N 0.217 120.382 119.950 0.358 0.000 2.605 312 F HA 0.108 4.635 4.527 -0.001 0.000 0.296 312 F C 0.067 175.927 175.800 0.099 0.000 1.146 312 F CA -0.827 57.284 58.000 0.185 0.000 1.478 312 F CB -1.368 37.704 39.000 0.120 0.000 1.107 312 F HN -0.174 nan 8.300 nan 0.000 0.600 313 V N 2.430 122.362 119.914 0.029 0.000 2.348 313 V HA 0.159 4.278 4.120 -0.001 0.000 0.270 313 V C 0.948 177.083 176.094 0.068 0.000 1.037 313 V CA -0.281 62.053 62.300 0.057 0.000 0.872 313 V CB 1.092 32.880 31.823 -0.058 0.000 1.002 313 V HN 0.355 nan 8.190 nan 0.000 0.464 314 E N 4.229 124.485 120.200 0.093 0.000 2.447 314 E HA 0.077 4.427 4.350 -0.001 0.000 0.195 314 E C 0.536 177.190 176.600 0.089 0.000 1.028 314 E CA 0.350 56.808 56.400 0.097 0.000 0.876 314 E CB 0.403 30.162 29.700 0.098 0.000 0.885 314 E HN 0.571 nan 8.360 nan 0.000 0.500 315 N N -0.297 118.447 118.700 0.074 0.000 2.446 315 N HA 0.263 5.003 4.740 -0.001 0.000 0.272 315 N C -2.310 173.219 175.510 0.031 0.000 1.127 315 N CA -0.637 52.446 53.050 0.056 0.000 0.896 315 N CB 1.846 40.395 38.487 0.103 0.000 1.658 315 N HN 0.099 nan 8.380 nan 0.000 0.483 316 C N 3.417 122.698 119.300 -0.032 0.000 2.817 316 C HA 0.723 5.183 4.460 -0.001 0.000 0.385 316 C C -1.358 173.583 174.990 -0.081 0.000 1.050 316 C CA -0.347 58.648 59.018 -0.039 0.000 1.245 316 C CB -0.167 27.535 27.740 -0.063 0.000 1.706 316 C HN 0.523 nan 8.230 nan 0.000 0.488 317 V N 5.370 125.269 119.914 -0.025 0.000 3.087 317 V HA 0.916 5.036 4.120 -0.001 0.000 0.306 317 V C -0.187 175.878 176.094 -0.050 0.000 1.187 317 V CA 0.154 62.431 62.300 -0.039 0.000 0.999 317 V CB 2.255 34.077 31.823 -0.001 0.000 1.049 317 V HN 1.346 nan 8.190 nan 0.000 0.431 318 A N 5.091 127.844 122.820 -0.113 0.000 2.301 318 A HA 0.846 5.166 4.320 -0.001 0.000 0.298 318 A C -0.726 176.685 177.584 -0.288 0.000 1.185 318 A CA -0.292 51.575 52.037 -0.284 0.000 0.830 318 A CB 0.261 19.116 19.000 -0.241 0.000 1.112 318 A HN 1.347 nan 8.150 nan 0.000 0.508 319 F N 0.466 120.182 119.950 -0.390 0.000 2.556 319 F HA 0.694 5.221 4.527 -0.001 0.000 0.327 319 F C -0.224 175.164 175.800 -0.687 0.000 1.059 319 F CA -1.607 56.119 58.000 -0.457 0.000 0.953 319 F CB 1.733 40.510 39.000 -0.372 0.000 1.227 319 F HN 0.517 nan 8.300 nan 0.000 0.478 320 N N 0.967 119.490 118.700 -0.295 0.000 2.653 320 N HA 0.126 4.866 4.740 -0.001 0.000 0.261 320 N C -1.727 173.671 175.510 -0.185 0.000 1.216 320 N CA -0.526 52.402 53.050 -0.204 0.000 0.784 320 N CB 0.328 38.774 38.487 -0.069 0.000 1.327 320 N HN 0.705 nan 8.380 nan 0.000 0.539 321 H N 1.207 120.331 119.070 0.089 0.000 2.723 321 H HA 0.171 4.727 4.556 -0.001 0.000 0.294 321 H C -0.518 174.680 175.328 -0.216 0.000 1.079 321 H CA 0.054 56.058 56.048 -0.072 0.000 1.411 321 H CB 1.623 31.457 29.762 0.120 0.000 1.439 321 H HN 0.248 nan 8.280 nan 0.000 0.474 322 S N 4.262 119.743 115.700 -0.366 0.000 2.561 322 S HA 0.510 4.980 4.470 -0.001 0.000 0.303 322 S C -1.138 173.157 174.600 -0.509 0.000 1.110 322 S CA -0.522 57.500 58.200 -0.296 0.000 1.034 322 S CB 0.326 63.450 63.200 -0.127 0.000 1.010 322 S HN 0.410 nan 8.310 nan 0.000 0.482 323 Y N 1.179 121.537 120.300 0.098 0.000 2.805 323 Y HA 0.372 4.922 4.550 -0.001 0.000 0.321 323 Y C 2.028 177.963 175.900 0.059 0.000 1.203 323 Y CA -0.404 57.733 58.100 0.062 0.000 1.165 323 Y CB 0.305 38.784 38.460 0.032 0.000 1.371 323 Y HN 0.646 nan 8.280 nan 0.000 0.564 324 S N -0.127 115.722 115.700 0.247 0.000 2.383 324 S HA -0.207 4.262 4.470 -0.001 0.000 0.229 324 S C 0.699 175.388 174.600 0.148 0.000 1.030 324 S CA 2.081 60.383 58.200 0.169 0.000 1.002 324 S CB -0.445 62.845 63.200 0.150 0.000 0.829 324 S HN 0.825 nan 8.310 nan 0.000 0.467 325 D N -0.862 119.626 120.400 0.148 0.000 2.520 325 D HA 0.441 5.081 4.640 -0.001 0.000 0.223 325 D C 0.300 176.691 176.300 0.151 0.000 1.186 325 D CA -0.016 54.060 54.000 0.128 0.000 0.821 325 D CB 0.331 41.190 40.800 0.098 0.000 1.072 325 D HN 0.350 nan 8.370 nan 0.000 0.518 326 S N -1.894 113.928 115.700 0.203 0.000 2.683 326 S HA 0.726 5.195 4.470 -0.001 0.000 0.269 326 S C -1.323 173.472 174.600 0.326 0.000 1.165 326 S CA -0.170 58.181 58.200 0.250 0.000 0.840 326 S CB 1.194 64.603 63.200 0.347 0.000 1.169 326 S HN 0.538 nan 8.310 nan 0.000 0.490 327 G N 0.236 109.239 108.800 0.337 0.000 2.559 327 G HA2 0.619 4.579 3.960 -0.001 0.000 0.291 327 G HA3 0.619 4.579 3.960 -0.001 0.000 0.291 327 G C -2.176 172.915 174.900 0.319 0.000 1.424 327 G CA -0.557 44.748 45.100 0.341 0.000 0.786 327 G HN 0.762 nan 8.290 nan 0.000 0.485 328 I N 0.089 120.868 120.570 0.347 0.000 2.533 328 I HA 0.539 4.709 4.170 -0.001 0.000 0.290 328 I C -1.500 174.868 176.117 0.419 0.000 1.056 328 I CA -0.643 60.864 61.300 0.344 0.000 1.057 328 I CB 2.341 40.535 38.000 0.323 0.000 1.240 328 I HN 0.411 nan 8.210 nan 0.000 0.423 329 F N 4.436 124.499 119.950 0.189 0.000 2.540 329 F HA 0.885 5.411 4.527 -0.001 0.000 0.317 329 F C 0.124 175.879 175.800 -0.074 0.000 1.104 329 F CA -0.042 57.974 58.000 0.027 0.000 0.913 329 F CB 2.024 40.949 39.000 -0.124 0.000 1.170 329 F HN 0.570 nan 8.300 nan 0.000 0.450 330 G N 4.610 112.790 108.800 -1.033 0.000 2.335 330 G HA2 0.403 4.363 3.960 -0.001 0.000 0.291 330 G HA3 0.403 4.363 3.960 -0.001 0.000 0.291 330 G C -2.139 171.922 174.900 -1.398 0.000 1.261 330 G CA -0.797 43.803 45.100 -0.834 0.000 0.871 330 G HN 0.660 nan 8.290 nan 0.000 0.491 331 I N 0.609 120.775 120.570 -0.672 0.000 2.545 331 I HA 0.569 4.738 4.170 -0.001 0.000 0.292 331 I C -0.171 175.989 176.117 0.072 0.000 1.040 331 I CA -0.837 60.267 61.300 -0.326 0.000 1.068 331 I CB 2.289 40.210 38.000 -0.130 0.000 1.251 331 I HN 0.451 nan 8.210 nan 0.000 0.424 332 S N 6.328 122.136 115.700 0.180 0.000 2.475 332 S HA 0.709 5.178 4.470 -0.001 0.000 0.298 332 S C -1.134 173.549 174.600 0.138 0.000 1.119 332 S CA -0.539 57.810 58.200 0.247 0.000 1.085 332 S CB 1.094 64.470 63.200 0.293 0.000 1.028 332 S HN 0.461 nan 8.310 nan 0.000 0.489 333 L N 3.835 125.148 121.223 0.150 0.000 2.464 333 L HA 0.617 4.956 4.340 -0.001 0.000 0.266 333 L C -1.191 175.790 176.870 0.184 0.000 0.965 333 L CA -0.155 54.765 54.840 0.133 0.000 0.833 333 L CB 1.842 43.964 42.059 0.105 0.000 1.296 333 L HN 0.705 nan 8.230 nan 0.000 0.405 334 S N 3.852 119.651 115.700 0.164 0.000 2.473 334 S HA 0.827 5.297 4.470 -0.001 0.000 0.307 334 S C -0.438 174.219 174.600 0.094 0.000 1.094 334 S CA -0.503 57.779 58.200 0.137 0.000 1.070 334 S CB 1.291 64.610 63.200 0.198 0.000 1.019 334 S HN 0.838 nan 8.310 nan 0.000 0.480 335 C N 1.995 121.333 119.300 0.064 0.000 3.291 335 C HA 0.673 5.132 4.460 -0.001 0.000 0.316 335 C C -0.693 174.291 174.990 -0.009 0.000 1.391 335 C CA -1.239 57.834 59.018 0.091 0.000 1.394 335 C CB -0.160 27.683 27.740 0.173 0.000 1.744 335 C HN 0.652 nan 8.230 nan 0.000 0.461 336 I N 2.083 122.655 120.570 0.003 0.000 2.752 336 I HA 0.189 4.359 4.170 -0.001 0.000 0.287 336 I C -1.137 174.782 176.117 -0.331 0.000 1.188 336 I CA -1.928 59.300 61.300 -0.120 0.000 1.427 336 I CB 0.069 38.050 38.000 -0.031 0.000 1.365 336 I HN 0.541 nan 8.210 nan 0.000 0.585 337 P HA -0.208 nan 4.420 nan 0.000 0.217 337 P C 1.222 178.139 177.300 -0.639 0.000 1.151 337 P CA 1.455 63.890 63.100 -1.109 0.000 0.849 337 P CB 0.229 31.247 31.700 -1.137 0.000 0.787 338 Q N -0.859 118.698 119.800 -0.405 0.000 2.170 338 Q HA -0.048 4.291 4.340 -0.001 0.000 0.203 338 Q C 2.126 177.917 176.000 -0.349 0.000 0.976 338 Q CA 1.786 57.404 55.803 -0.309 0.000 0.858 338 Q CB -1.304 27.302 28.738 -0.220 0.000 0.907 338 Q HN 0.231 nan 8.270 nan 0.000 0.433 339 A N -0.006 122.575 122.820 -0.398 0.000 2.178 339 A HA 0.283 4.603 4.320 -0.001 0.000 0.211 339 A C 2.131 179.506 177.584 -0.348 0.000 1.157 339 A CA 0.814 52.533 52.037 -0.530 0.000 0.780 339 A CB -0.533 18.041 19.000 -0.709 0.000 0.828 339 A HN 0.304 nan 8.150 nan 0.000 0.476 340 A N 1.379 124.003 122.820 -0.327 0.000 1.929 340 A HA -0.188 4.132 4.320 -0.001 0.000 0.221 340 A C 0.127 177.545 177.584 -0.277 0.000 1.211 340 A CA 2.310 54.129 52.037 -0.364 0.000 0.657 340 A CB -1.852 16.799 19.000 -0.581 0.000 0.827 340 A HN 0.446 nan 8.150 nan 0.000 0.462 341 P HA -0.150 nan 4.420 nan 0.000 0.222 341 P C 1.229 178.478 177.300 -0.085 0.000 1.142 341 P CA 1.438 64.456 63.100 -0.137 0.000 0.788 341 P CB -0.043 31.575 31.700 -0.136 0.000 0.767 342 Q N -1.875 117.849 119.800 -0.127 0.000 2.396 342 Q HA 0.174 4.514 4.340 -0.001 0.000 0.209 342 Q C 2.068 178.040 176.000 -0.047 0.000 0.906 342 Q CA 0.353 56.097 55.803 -0.099 0.000 0.927 342 Q CB -0.245 28.384 28.738 -0.182 0.000 1.069 342 Q HN 0.124 nan 8.270 nan 0.000 0.523 343 A N 0.892 123.720 122.820 0.013 0.000 1.859 343 A HA -0.236 4.084 4.320 -0.001 0.000 0.218 343 A C 2.250 179.872 177.584 0.064 0.000 1.209 343 A CA 2.030 54.121 52.037 0.090 0.000 0.639 343 A CB -1.087 18.072 19.000 0.265 0.000 0.835 343 A HN 0.203 nan 8.150 nan 0.000 0.450 344 V N -0.062 119.914 119.914 0.104 0.000 2.252 344 V HA -0.338 3.781 4.120 -0.001 0.000 0.249 344 V C 2.585 178.652 176.094 -0.044 0.000 1.056 344 V CA 2.685 65.012 62.300 0.044 0.000 1.022 344 V CB -0.918 30.947 31.823 0.071 0.000 0.641 344 V HN 0.809 nan 8.190 nan 0.000 0.445 345 E N -0.011 120.161 120.200 -0.047 0.000 2.077 345 E HA -0.197 4.152 4.350 -0.001 0.000 0.193 345 E C 2.125 178.616 176.600 -0.181 0.000 0.989 345 E CA 1.741 58.068 56.400 -0.121 0.000 0.800 345 E CB -0.134 29.555 29.700 -0.018 0.000 0.746 345 E HN 0.387 nan 8.360 nan 0.000 0.452 346 V N 1.098 120.937 119.914 -0.126 0.000 2.282 346 V HA -0.307 3.812 4.120 -0.001 0.000 0.249 346 V C 2.376 178.397 176.094 -0.122 0.000 1.057 346 V CA 2.005 64.221 62.300 -0.141 0.000 1.032 346 V CB -0.471 31.223 31.823 -0.215 0.000 0.645 346 V HN 0.367 nan 8.190 nan 0.000 0.447 347 I N 0.246 120.750 120.570 -0.109 0.000 2.179 347 I HA -0.226 3.943 4.170 -0.001 0.000 0.242 347 I C 2.683 178.696 176.117 -0.172 0.000 1.088 347 I CA 1.458 62.699 61.300 -0.099 0.000 1.357 347 I CB -0.614 37.357 38.000 -0.048 0.000 1.051 347 I HN 0.292 nan 8.210 nan 0.000 0.409 348 A N 0.137 122.799 122.820 -0.264 0.000 1.940 348 A HA -0.276 4.044 4.320 -0.001 0.000 0.219 348 A C 2.253 179.519 177.584 -0.529 0.000 1.176 348 A CA 1.671 53.449 52.037 -0.432 0.000 0.631 348 A CB -0.631 17.955 19.000 -0.690 0.000 0.814 348 A HN 0.483 nan 8.150 nan 0.000 0.446 349 Q N -1.036 118.459 119.800 -0.508 0.000 2.050 349 Q HA -0.212 4.127 4.340 -0.001 0.000 0.202 349 Q C 2.336 178.326 176.000 -0.017 0.000 0.980 349 Q CA 1.485 57.159 55.803 -0.215 0.000 0.840 349 Q CB -0.214 28.487 28.738 -0.061 0.000 0.898 349 Q HN 0.616 nan 8.270 nan 0.000 0.424 350 Q N 0.121 119.893 119.800 -0.048 0.000 2.135 350 Q HA -0.141 4.198 4.340 -0.001 0.000 0.204 350 Q C 1.981 177.936 176.000 -0.075 0.000 0.981 350 Q CA 1.505 57.299 55.803 -0.014 0.000 0.856 350 Q CB -0.310 28.410 28.738 -0.031 0.000 0.902 350 Q HN 0.502 nan 8.270 nan 0.000 0.425 351 M N -1.134 118.332 119.600 -0.223 0.000 2.099 351 M HA -0.162 4.318 4.480 -0.001 0.000 0.262 351 M C 2.109 178.299 176.300 -0.183 0.000 1.067 351 M CA 1.373 56.348 55.300 -0.542 0.000 1.124 351 M CB -0.536 31.488 32.600 -0.959 0.000 1.353 351 M HN 0.119 nan 8.290 nan 0.000 0.410 352 Y N 2.073 122.251 120.300 -0.204 0.000 2.114 352 Y HA -0.267 4.282 4.550 -0.001 0.000 0.282 352 Y C 1.931 177.671 175.900 -0.267 0.000 1.165 352 Y CA 1.789 59.754 58.100 -0.225 0.000 1.148 352 Y CB -0.369 38.081 38.460 -0.016 0.000 0.972 352 Y HN 0.269 nan 8.280 nan 0.000 0.504 353 N N -0.275 118.455 118.700 0.049 0.000 2.635 353 N HA -0.110 4.630 4.740 -0.001 0.000 0.191 353 N C 1.547 177.055 175.510 -0.003 0.000 1.155 353 N CA 1.407 54.471 53.050 0.024 0.000 0.927 353 N CB -0.617 37.962 38.487 0.154 0.000 0.976 353 N HN 0.646 nan 8.380 nan 0.000 0.448 354 T N -2.961 111.624 114.554 0.053 0.000 3.067 354 T HA 0.045 4.395 4.350 -0.001 0.000 0.257 354 T C 1.272 176.120 174.700 0.246 0.000 1.105 354 T CA 0.324 62.537 62.100 0.189 0.000 1.104 354 T CB -0.183 68.889 68.868 0.339 0.000 0.925 354 T HN 0.312 nan 8.240 nan 0.000 0.498 355 F N -0.530 119.375 119.950 -0.075 0.000 2.743 355 F HA 0.742 5.268 4.527 -0.001 0.000 0.356 355 F C 1.663 177.347 175.800 -0.193 0.000 0.845 355 F CA -0.340 57.601 58.000 -0.099 0.000 1.058 355 F CB -0.125 38.839 39.000 -0.061 0.000 0.952 355 F HN 0.092 nan 8.300 nan 0.000 0.620 356 A N 0.460 122.419 122.820 -1.437 0.000 2.307 356 A HA 0.248 4.568 4.320 -0.001 0.000 0.218 356 A C 0.453 177.500 177.584 -0.894 0.000 1.228 356 A CA 0.234 51.518 52.037 -1.255 0.000 0.857 356 A CB -0.728 17.138 19.000 -1.889 0.000 0.897 356 A HN 0.328 nan 8.150 nan 0.000 0.495 357 N N 1.046 119.405 118.700 -0.569 0.000 2.621 357 N HA 0.093 4.833 4.740 -0.001 0.000 0.237 357 N C 0.850 176.305 175.510 -0.091 0.000 0.997 357 N CA -0.201 52.731 53.050 -0.196 0.000 0.918 357 N CB 0.850 39.323 38.487 -0.024 0.000 1.122 357 N HN 0.448 nan 8.380 nan 0.000 0.510 358 K N 1.255 121.617 120.400 -0.063 0.000 2.293 358 K HA -0.128 4.191 4.320 -0.001 0.000 0.204 358 K C -0.168 176.429 176.600 -0.005 0.000 1.045 358 K CA 1.272 57.542 56.287 -0.029 0.000 0.933 358 K CB 0.292 32.782 32.500 -0.017 0.000 0.736 358 K HN 0.325 nan 8.250 nan 0.000 0.463 359 D N 0.261 120.665 120.400 0.008 0.000 2.369 359 D HA 0.122 4.761 4.640 -0.001 0.000 0.211 359 D C 0.777 177.096 176.300 0.030 0.000 1.077 359 D CA 0.309 54.321 54.000 0.019 0.000 0.842 359 D CB 0.498 41.312 40.800 0.023 0.000 0.947 359 D HN 0.208 nan 8.370 nan 0.000 0.509 360 L N 0.677 121.920 121.223 0.033 0.000 3.289 360 L HA 0.222 4.561 4.340 -0.001 0.000 0.291 360 L C 0.346 177.245 176.870 0.048 0.000 1.279 360 L CA -0.430 54.446 54.840 0.061 0.000 1.025 360 L CB 0.817 42.933 42.059 0.094 0.000 1.413 360 L HN -0.290 nan 8.230 nan 0.000 0.593 361 R N 0.823 121.338 120.500 0.026 0.000 2.817 361 R HA 0.131 4.470 4.340 -0.001 0.000 0.264 361 R C -0.285 176.040 176.300 0.041 0.000 1.009 361 R CA 0.366 56.480 56.100 0.023 0.000 1.133 361 R CB 0.237 30.546 30.300 0.015 0.000 1.013 361 R HN 0.132 nan 8.270 nan 0.000 0.453 362 L N 2.549 123.798 121.223 0.044 0.000 2.410 362 L HA 0.183 4.522 4.340 -0.001 0.000 0.273 362 L C 0.840 177.731 176.870 0.035 0.000 1.144 362 L CA -0.237 54.630 54.840 0.046 0.000 0.863 362 L CB 0.568 42.655 42.059 0.046 0.000 1.140 362 L HN 0.760 nan 8.230 nan 0.000 0.463 363 T N -1.527 113.048 114.554 0.036 0.000 2.899 363 T HA 0.166 4.515 4.350 -0.001 0.000 0.284 363 T C 1.035 175.747 174.700 0.020 0.000 1.004 363 T CA -0.850 61.266 62.100 0.027 0.000 1.043 363 T CB 1.582 70.468 68.868 0.029 0.000 1.013 363 T HN 0.535 nan 8.240 nan 0.000 0.518 364 E N 1.146 121.354 120.200 0.012 0.000 2.070 364 E HA -0.178 4.172 4.350 -0.001 0.000 0.197 364 E C 1.715 178.318 176.600 0.004 0.000 1.004 364 E CA 1.692 58.096 56.400 0.006 0.000 0.805 364 E CB -0.241 29.460 29.700 0.001 0.000 0.744 364 E HN 0.714 nan 8.360 nan 0.000 0.451 365 D N 0.620 121.022 120.400 0.003 0.000 2.097 365 D HA -0.142 4.498 4.640 -0.001 0.000 0.195 365 D C 1.918 178.221 176.300 0.005 0.000 0.989 365 D CA 0.883 54.880 54.000 -0.004 0.000 0.827 365 D CB -0.172 40.621 40.800 -0.012 0.000 0.966 365 D HN 0.336 nan 8.370 nan 0.000 0.456 366 E N 0.465 120.677 120.200 0.020 0.000 2.023 366 E HA -0.140 4.209 4.350 -0.001 0.000 0.196 366 E C 2.386 179.003 176.600 0.029 0.000 1.003 366 E CA 0.830 57.249 56.400 0.033 0.000 0.809 366 E CB -0.020 29.705 29.700 0.042 0.000 0.755 366 E HN 0.043 nan 8.360 nan 0.000 0.449 367 V N 0.873 120.801 119.914 0.025 0.000 2.343 367 V HA -0.262 3.857 4.120 -0.001 0.000 0.247 367 V C 2.442 178.546 176.094 0.016 0.000 1.051 367 V CA 1.925 64.238 62.300 0.022 0.000 1.036 367 V CB -0.451 31.382 31.823 0.017 0.000 0.654 367 V HN 0.267 nan 8.190 nan 0.000 0.451 368 S N -0.464 115.241 115.700 0.009 0.000 2.368 368 S HA -0.238 4.231 4.470 -0.001 0.000 0.224 368 S C 2.221 176.824 174.600 0.005 0.000 1.029 368 S CA 1.891 60.092 58.200 0.002 0.000 0.988 368 S CB -0.269 62.928 63.200 -0.005 0.000 0.838 368 S HN 0.584 nan 8.310 nan 0.000 0.462 369 R N 0.446 120.950 120.500 0.008 0.000 2.066 369 R HA 0.033 4.372 4.340 -0.001 0.000 0.232 369 R C 2.412 178.729 176.300 0.029 0.000 1.131 369 R CA 1.356 57.464 56.100 0.014 0.000 0.955 369 R CB -0.749 29.560 30.300 0.015 0.000 0.851 369 R HN 0.431 nan 8.270 nan 0.000 0.432 370 A N 1.220 124.062 122.820 0.036 0.000 1.940 370 A HA -0.187 4.133 4.320 -0.001 0.000 0.219 370 A C 2.006 179.613 177.584 0.038 0.000 1.176 370 A CA 1.683 53.747 52.037 0.045 0.000 0.631 370 A CB -0.353 18.677 19.000 0.050 0.000 0.814 370 A HN 0.371 nan 8.150 nan 0.000 0.446 371 K N -0.312 120.105 120.400 0.028 0.000 2.026 371 K HA -0.132 4.188 4.320 -0.001 0.000 0.208 371 K C 1.817 178.427 176.600 0.016 0.000 1.048 371 K CA 1.484 57.783 56.287 0.021 0.000 0.929 371 K CB -0.224 32.281 32.500 0.008 0.000 0.713 371 K HN 0.406 nan 8.250 nan 0.000 0.439 372 N N 1.103 119.810 118.700 0.012 0.000 2.166 372 N HA -0.158 4.581 4.740 -0.001 0.000 0.186 372 N C 1.725 177.246 175.510 0.019 0.000 1.019 372 N CA 1.206 54.262 53.050 0.010 0.000 0.856 372 N CB -0.086 38.404 38.487 0.005 0.000 0.993 372 N HN 0.325 nan 8.380 nan 0.000 0.426 373 Q N 0.031 119.848 119.800 0.028 0.000 2.167 373 Q HA -0.070 4.269 4.340 -0.001 0.000 0.202 373 Q C 1.971 177.993 176.000 0.037 0.000 0.970 373 Q CA 0.626 56.449 55.803 0.034 0.000 0.855 373 Q CB -0.070 28.695 28.738 0.045 0.000 0.911 373 Q HN 0.227 nan 8.270 nan 0.000 0.438 374 L N 1.202 122.449 121.223 0.040 0.000 2.044 374 L HA -0.145 4.194 4.340 -0.001 0.000 0.205 374 L C 1.899 178.794 176.870 0.042 0.000 1.075 374 L CA 1.804 56.673 54.840 0.049 0.000 0.747 374 L CB -0.215 41.881 42.059 0.063 0.000 0.903 374 L HN -0.056 nan 8.230 nan 0.000 0.435 375 K N -0.892 119.525 120.400 0.028 0.000 2.063 375 K HA -0.182 4.137 4.320 -0.001 0.000 0.208 375 K C 2.339 178.950 176.600 0.018 0.000 1.048 375 K CA 1.559 57.856 56.287 0.016 0.000 0.928 375 K CB -0.452 32.048 32.500 -0.001 0.000 0.713 375 K HN 0.393 nan 8.250 nan 0.000 0.442 376 S N 1.001 116.712 115.700 0.019 0.000 2.353 376 S HA -0.170 4.300 4.470 -0.001 0.000 0.222 376 S C 2.140 176.754 174.600 0.024 0.000 1.035 376 S CA 2.083 60.294 58.200 0.019 0.000 1.025 376 S CB -0.282 62.929 63.200 0.020 0.000 0.902 376 S HN 0.470 nan 8.310 nan 0.000 0.440 377 S N 1.245 116.962 115.700 0.029 0.000 2.402 377 S HA 0.039 4.509 4.470 -0.001 0.000 0.229 377 S C 1.926 176.544 174.600 0.030 0.000 1.021 377 S CA 0.999 59.217 58.200 0.030 0.000 0.974 377 S CB -0.736 62.484 63.200 0.032 0.000 0.800 377 S HN 0.519 nan 8.310 nan 0.000 0.484 378 L N 0.709 121.952 121.223 0.034 0.000 1.988 378 L HA -0.014 4.326 4.340 -0.001 0.000 0.207 378 L C 2.741 179.628 176.870 0.028 0.000 1.071 378 L CA 1.339 56.200 54.840 0.036 0.000 0.744 378 L CB -0.694 41.394 42.059 0.047 0.000 0.893 378 L HN 0.297 nan 8.230 nan 0.000 0.433 379 L N -0.901 120.335 121.223 0.023 0.000 2.042 379 L HA -0.259 4.081 4.340 -0.001 0.000 0.210 379 L C 2.682 179.564 176.870 0.020 0.000 1.076 379 L CA 1.465 56.316 54.840 0.017 0.000 0.749 379 L CB -0.392 41.675 42.059 0.012 0.000 0.893 379 L HN 0.329 nan 8.230 nan 0.000 0.432 380 M N -0.997 118.616 119.600 0.021 0.000 2.229 380 M HA -0.198 4.282 4.480 -0.001 0.000 0.264 380 M C 2.001 178.316 176.300 0.026 0.000 1.063 380 M CA 1.449 56.763 55.300 0.023 0.000 1.114 380 M CB -0.495 32.118 32.600 0.022 0.000 1.387 380 M HN 0.317 nan 8.290 nan 0.000 0.420 381 N N 0.513 119.228 118.700 0.026 0.000 2.216 381 N HA -0.088 4.652 4.740 -0.001 0.000 0.183 381 N C 1.298 176.826 175.510 0.030 0.000 1.017 381 N CA 0.910 53.977 53.050 0.028 0.000 0.861 381 N CB 0.169 38.672 38.487 0.027 0.000 0.986 381 N HN 0.187 nan 8.380 nan 0.000 0.428 382 L N 1.967 123.206 121.223 0.026 0.000 2.633 382 L HA 0.004 4.344 4.340 -0.001 0.000 0.235 382 L C 1.688 178.574 176.870 0.027 0.000 1.163 382 L CA 1.038 55.893 54.840 0.025 0.000 0.859 382 L CB -0.684 41.387 42.059 0.018 0.000 0.973 382 L HN 0.118 nan 8.230 nan 0.000 0.451 383 E N -1.579 118.639 120.200 0.030 0.000 2.274 383 E HA -0.062 4.287 4.350 -0.001 0.000 0.194 383 E C 0.906 177.531 176.600 0.042 0.000 0.996 383 E CA 0.177 56.596 56.400 0.032 0.000 0.840 383 E CB 0.178 29.897 29.700 0.033 0.000 0.772 383 E HN 0.291 nan 8.360 nan 0.000 0.491 384 S N 0.400 116.130 115.700 0.050 0.000 2.523 384 S HA 0.082 4.551 4.470 -0.001 0.000 0.275 384 S C 0.847 175.491 174.600 0.073 0.000 1.281 384 S CA -0.460 57.784 58.200 0.072 0.000 1.050 384 S CB 0.980 64.223 63.200 0.071 0.000 0.937 384 S HN 0.035 nan 8.310 nan 0.000 0.492 385 K N 3.073 123.529 120.400 0.093 0.000 2.057 385 K HA -0.084 4.236 4.320 -0.001 0.000 0.207 385 K C 1.608 178.272 176.600 0.108 0.000 1.049 385 K CA 1.055 57.392 56.287 0.082 0.000 0.931 385 K CB -0.253 32.293 32.500 0.078 0.000 0.714 385 K HN 0.494 nan 8.250 nan 0.000 0.440 386 L N 0.714 122.016 121.223 0.131 0.000 2.079 386 L HA -0.168 4.172 4.340 -0.001 0.000 0.210 386 L C 2.167 179.092 176.870 0.092 0.000 1.081 386 L CA 1.416 56.326 54.840 0.116 0.000 0.752 386 L CB -0.641 41.479 42.059 0.101 0.000 0.896 386 L HN -0.029 nan 8.230 nan 0.000 0.433 387 V N -0.934 119.023 119.914 0.072 0.000 2.453 387 V HA -0.225 3.895 4.120 -0.001 0.000 0.247 387 V C 2.491 178.608 176.094 0.039 0.000 1.048 387 V CA 1.452 63.783 62.300 0.052 0.000 1.049 387 V CB -0.354 31.494 31.823 0.042 0.000 0.672 387 V HN 0.512 nan 8.190 nan 0.000 0.457 388 E N 0.078 120.303 120.200 0.042 0.000 2.077 388 E HA -0.271 4.079 4.350 -0.001 0.000 0.193 388 E C 2.194 178.808 176.600 0.024 0.000 0.989 388 E CA 1.577 57.994 56.400 0.028 0.000 0.800 388 E CB -0.107 29.615 29.700 0.037 0.000 0.746 388 E HN 0.461 nan 8.360 nan 0.000 0.452 389 L N 1.590 122.846 121.223 0.056 0.000 1.976 389 L HA -0.202 4.137 4.340 -0.001 0.000 0.209 389 L C 2.394 179.256 176.870 -0.013 0.000 1.071 389 L CA 2.404 57.282 54.840 0.064 0.000 0.746 389 L CB -0.558 41.583 42.059 0.137 0.000 0.890 389 L HN 0.206 nan 8.230 nan 0.000 0.432 390 E N -0.894 119.332 120.200 0.044 0.000 2.077 390 E HA -0.311 4.038 4.350 -0.001 0.000 0.193 390 E C 1.868 178.399 176.600 -0.116 0.000 0.989 390 E CA 1.510 57.917 56.400 0.012 0.000 0.800 390 E CB -0.193 29.573 29.700 0.110 0.000 0.746 390 E HN 0.717 nan 8.360 nan 0.000 0.452 391 D N -0.041 120.320 120.400 -0.066 0.000 2.144 391 D HA -0.215 4.425 4.640 -0.001 0.000 0.199 391 D C 2.163 178.380 176.300 -0.137 0.000 0.984 391 D CA 1.549 55.502 54.000 -0.079 0.000 0.834 391 D CB -0.116 40.659 40.800 -0.040 0.000 0.955 391 D HN 0.282 nan 8.370 nan 0.000 0.465 392 M N -0.478 119.035 119.600 -0.145 0.000 2.099 392 M HA 0.008 4.488 4.480 -0.001 0.000 0.262 392 M C 2.186 178.345 176.300 -0.235 0.000 1.067 392 M CA 2.107 57.314 55.300 -0.155 0.000 1.124 392 M CB -0.423 32.146 32.600 -0.052 0.000 1.353 392 M HN 0.105 nan 8.290 nan 0.000 0.410 393 G N 0.553 109.079 108.800 -0.458 0.000 2.446 393 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.217 393 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.217 393 G C 1.570 176.156 174.900 -0.522 0.000 1.168 393 G CA 0.941 45.553 45.100 -0.814 0.000 0.771 393 G HN 0.501 nan 8.290 nan 0.000 0.551 394 R N -0.239 120.023 120.500 -0.396 0.000 2.090 394 R HA 0.025 4.364 4.340 -0.001 0.000 0.228 394 R C 2.788 178.962 176.300 -0.209 0.000 1.110 394 R CA 1.103 57.088 56.100 -0.192 0.000 0.973 394 R CB -0.280 29.960 30.300 -0.099 0.000 0.869 394 R HN 0.428 nan 8.270 nan 0.000 0.440 395 Q N 0.162 119.816 119.800 -0.242 0.000 2.050 395 Q HA -0.119 4.220 4.340 -0.001 0.000 0.202 395 Q C 2.222 177.975 176.000 -0.411 0.000 0.980 395 Q CA 1.476 57.060 55.803 -0.365 0.000 0.840 395 Q CB 0.047 28.657 28.738 -0.213 0.000 0.898 395 Q HN 0.168 nan 8.270 nan 0.000 0.424 396 V N 0.908 120.703 119.914 -0.199 0.000 2.358 396 V HA -0.246 3.874 4.120 -0.001 0.000 0.246 396 V C 2.195 178.240 176.094 -0.081 0.000 1.047 396 V CA 1.263 63.519 62.300 -0.074 0.000 1.035 396 V CB -0.461 31.388 31.823 0.044 0.000 0.658 396 V HN 0.299 nan 8.190 nan 0.000 0.452 397 L N -0.783 120.386 121.223 -0.091 0.000 2.042 397 L HA -0.203 4.136 4.340 -0.001 0.000 0.210 397 L C 2.295 179.130 176.870 -0.058 0.000 1.076 397 L CA 2.226 57.044 54.840 -0.038 0.000 0.749 397 L CB -0.478 41.580 42.059 -0.002 0.000 0.893 397 L HN 0.286 nan 8.230 nan 0.000 0.432 398 M N -1.390 118.119 119.600 -0.151 0.000 2.160 398 M HA -0.134 4.345 4.480 -0.001 0.000 0.264 398 M C 0.823 177.081 176.300 -0.069 0.000 1.073 398 M CA 1.828 57.054 55.300 -0.124 0.000 1.142 398 M CB -0.033 32.469 32.600 -0.164 0.000 1.358 398 M HN 0.595 nan 8.290 nan 0.000 0.422 399 H N -2.862 116.226 119.070 0.029 0.000 2.750 399 H HA 0.498 5.053 4.556 -0.001 0.000 0.252 399 H C 0.620 175.969 175.328 0.036 0.000 1.176 399 H CA -0.009 56.056 56.048 0.029 0.000 0.987 399 H CB -0.624 29.149 29.762 0.019 0.000 1.810 399 H HN 0.426 nan 8.280 nan 0.000 0.630 400 G N 1.806 110.645 108.800 0.065 0.000 2.341 400 G HA2 -0.349 3.611 3.960 -0.001 0.000 0.292 400 G HA3 -0.349 3.611 3.960 -0.001 0.000 0.292 400 G C 0.041 175.037 174.900 0.160 0.000 1.021 400 G CA 0.658 45.818 45.100 0.101 0.000 0.905 400 G HN 0.912 nan 8.290 nan 0.000 0.508 401 R N -2.252 118.353 120.500 0.174 0.000 2.690 401 R HA 0.708 5.047 4.340 -0.001 0.000 0.269 401 R C -1.167 175.148 176.300 0.025 0.000 1.037 401 R CA -1.247 54.964 56.100 0.185 0.000 0.877 401 R CB 1.158 31.566 30.300 0.180 0.000 1.255 401 R HN 0.125 nan 8.270 nan 0.000 0.467 402 K N 2.619 122.861 120.400 -0.263 0.000 2.425 402 K HA 0.330 4.650 4.320 -0.001 0.000 0.259 402 K C -0.655 175.767 176.600 -0.296 0.000 0.978 402 K CA -0.735 55.259 56.287 -0.489 0.000 0.883 402 K CB 1.342 33.073 32.500 -1.282 0.000 1.110 402 K HN 0.693 nan 8.250 nan 0.000 0.436 403 I N 7.044 127.555 120.570 -0.099 0.000 2.668 403 I HA 0.089 4.258 4.170 -0.001 0.000 0.285 403 I C -1.912 174.156 176.117 -0.081 0.000 1.168 403 I CA -1.513 59.758 61.300 -0.047 0.000 1.424 403 I CB 0.818 38.833 38.000 0.025 0.000 1.377 403 I HN 0.583 nan 8.210 nan 0.000 0.560 404 P HA 0.024 nan 4.420 nan 0.000 0.274 404 P C 0.884 178.166 177.300 -0.031 0.000 1.231 404 P CA -0.293 62.775 63.100 -0.054 0.000 0.790 404 P CB 1.397 33.081 31.700 -0.026 0.000 0.951 405 V N 2.933 122.831 119.914 -0.027 0.000 2.282 405 V HA -0.314 3.805 4.120 -0.001 0.000 0.249 405 V C 2.381 178.457 176.094 -0.030 0.000 1.057 405 V CA 2.393 64.681 62.300 -0.019 0.000 1.032 405 V CB -1.584 30.231 31.823 -0.013 0.000 0.645 405 V HN 0.608 nan 8.190 nan 0.000 0.447 406 N N -0.304 118.379 118.700 -0.028 0.000 2.060 406 N HA -0.308 4.432 4.740 -0.001 0.000 0.195 406 N C 1.992 177.468 175.510 -0.057 0.000 1.028 406 N CA 1.758 54.787 53.050 -0.036 0.000 0.861 406 N CB -0.206 38.266 38.487 -0.025 0.000 1.029 406 N HN 0.646 nan 8.380 nan 0.000 0.428 407 E N 0.901 121.070 120.200 -0.051 0.000 2.077 407 E HA -0.199 4.151 4.350 -0.001 0.000 0.193 407 E C 2.116 178.638 176.600 -0.130 0.000 0.989 407 E CA 0.749 57.110 56.400 -0.066 0.000 0.800 407 E CB 0.013 29.694 29.700 -0.032 0.000 0.746 407 E HN 0.323 nan 8.360 nan 0.000 0.452 408 M N 0.392 119.926 119.600 -0.111 0.000 2.086 408 M HA -0.166 4.313 4.480 -0.001 0.000 0.261 408 M C 2.070 178.175 176.300 -0.325 0.000 1.067 408 M CA 1.508 56.688 55.300 -0.199 0.000 1.116 408 M CB -0.058 32.539 32.600 -0.004 0.000 1.348 408 M HN 0.170 nan 8.290 nan 0.000 0.407 409 I N -0.504 119.963 120.570 -0.172 0.000 2.142 409 I HA -0.303 3.866 4.170 -0.001 0.000 0.240 409 I C 2.381 178.393 176.117 -0.175 0.000 1.078 409 I CA 1.393 62.605 61.300 -0.146 0.000 1.343 409 I CB -0.508 37.444 38.000 -0.080 0.000 1.046 409 I HN 0.309 nan 8.210 nan 0.000 0.405 410 S N 0.660 116.267 115.700 -0.154 0.000 2.365 410 S HA -0.247 4.222 4.470 -0.001 0.000 0.225 410 S C 1.926 176.417 174.600 -0.181 0.000 1.039 410 S CA 1.549 59.669 58.200 -0.134 0.000 1.033 410 S CB -0.290 62.849 63.200 -0.101 0.000 0.887 410 S HN 0.364 nan 8.310 nan 0.000 0.447 411 K N 0.474 120.701 120.400 -0.288 0.000 2.209 411 K HA 0.014 4.334 4.320 -0.001 0.000 0.204 411 K C 1.876 178.274 176.600 -0.338 0.000 1.048 411 K CA 1.014 57.098 56.287 -0.339 0.000 0.940 411 K CB -0.253 31.919 32.500 -0.547 0.000 0.729 411 K HN 0.384 nan 8.250 nan 0.000 0.451 412 I N 0.811 121.156 120.570 -0.376 0.000 2.333 412 I HA -0.191 3.979 4.170 -0.001 0.000 0.246 412 I C 1.888 177.943 176.117 -0.103 0.000 1.106 412 I CA 1.109 62.287 61.300 -0.202 0.000 1.411 412 I CB -0.118 37.788 38.000 -0.157 0.000 1.082 412 I HN 0.159 nan 8.210 nan 0.000 0.420 413 E N 0.760 120.897 120.200 -0.104 0.000 2.204 413 E HA -0.202 4.148 4.350 -0.001 0.000 0.194 413 E C 1.071 177.639 176.600 -0.052 0.000 0.989 413 E CA 0.913 57.275 56.400 -0.064 0.000 0.824 413 E CB -0.045 29.619 29.700 -0.060 0.000 0.756 413 E HN 0.443 nan 8.360 nan 0.000 0.477 414 D N 0.401 120.764 120.400 -0.063 0.000 2.363 414 D HA 0.018 4.657 4.640 -0.001 0.000 0.220 414 D C 0.439 176.721 176.300 -0.030 0.000 0.994 414 D CA 0.319 54.293 54.000 -0.044 0.000 0.890 414 D CB 0.087 40.859 40.800 -0.047 0.000 0.906 414 D HN 0.127 nan 8.370 nan 0.000 0.530 415 L N 0.870 122.077 121.223 -0.027 0.000 2.456 415 L HA 0.097 4.436 4.340 -0.001 0.000 0.272 415 L C 0.648 177.513 176.870 -0.008 0.000 1.189 415 L CA 0.513 55.347 54.840 -0.010 0.000 0.846 415 L CB 0.465 42.525 42.059 0.002 0.000 1.111 415 L HN -0.320 nan 8.230 nan 0.000 0.475 416 K N 3.101 123.497 120.400 -0.005 0.000 2.395 416 K HA 0.355 4.675 4.320 -0.001 0.000 0.247 416 K C -1.888 174.711 176.600 -0.001 0.000 0.973 416 K CA -1.603 54.681 56.287 -0.004 0.000 0.828 416 K CB 1.782 34.279 32.500 -0.006 0.000 1.272 416 K HN 0.081 nan 8.250 nan 0.000 0.439 417 P HA -0.279 nan 4.420 nan 0.000 0.219 417 P C 0.270 177.572 177.300 0.004 0.000 1.158 417 P CA 1.517 64.622 63.100 0.007 0.000 0.895 417 P CB 0.200 31.906 31.700 0.010 0.000 0.792 418 D N -0.973 119.428 120.400 0.001 0.000 2.182 418 D HA -0.162 4.478 4.640 -0.001 0.000 0.201 418 D C 1.499 177.790 176.300 -0.014 0.000 0.986 418 D CA 1.063 55.061 54.000 -0.003 0.000 0.847 418 D CB -0.650 40.147 40.800 -0.004 0.000 0.942 418 D HN 0.262 nan 8.370 nan 0.000 0.467 419 D N 0.620 121.010 120.400 -0.015 0.000 2.097 419 D HA -0.127 4.513 4.640 -0.001 0.000 0.195 419 D C 2.231 178.505 176.300 -0.043 0.000 0.989 419 D CA 0.518 54.503 54.000 -0.025 0.000 0.827 419 D CB -0.084 40.708 40.800 -0.012 0.000 0.966 419 D HN 0.215 nan 8.370 nan 0.000 0.456 420 I N 1.238 121.790 120.570 -0.030 0.000 2.226 420 I HA -0.169 4.001 4.170 -0.001 0.000 0.245 420 I C 2.398 178.483 176.117 -0.054 0.000 1.100 420 I CA 0.872 62.147 61.300 -0.043 0.000 1.374 420 I CB -1.327 36.667 38.000 -0.010 0.000 1.057 420 I HN -0.128 nan 8.210 nan 0.000 0.413 421 S N 0.455 116.144 115.700 -0.018 0.000 2.368 421 S HA -0.164 4.306 4.470 -0.001 0.000 0.224 421 S C 2.123 176.690 174.600 -0.054 0.000 1.029 421 S CA 1.044 59.249 58.200 0.009 0.000 0.988 421 S CB -0.299 62.926 63.200 0.041 0.000 0.838 421 S HN 0.393 nan 8.310 nan 0.000 0.462 422 R N 0.892 121.348 120.500 -0.074 0.000 2.081 422 R HA -0.065 4.275 4.340 -0.001 0.000 0.235 422 R C 1.999 178.178 176.300 -0.201 0.000 1.131 422 R CA 1.309 57.342 56.100 -0.111 0.000 0.960 422 R CB -0.325 29.928 30.300 -0.078 0.000 0.856 422 R HN 0.276 nan 8.270 nan 0.000 0.436 423 V N 0.858 120.643 119.914 -0.215 0.000 2.453 423 V HA -0.146 3.973 4.120 -0.001 0.000 0.247 423 V C 2.450 178.256 176.094 -0.481 0.000 1.048 423 V CA 1.657 63.766 62.300 -0.319 0.000 1.049 423 V CB -0.510 31.139 31.823 -0.291 0.000 0.672 423 V HN 0.488 nan 8.190 nan 0.000 0.457 424 A N 0.128 122.698 122.820 -0.417 0.000 1.877 424 A HA -0.294 4.025 4.320 -0.001 0.000 0.216 424 A C 2.285 179.415 177.584 -0.756 0.000 1.186 424 A CA 2.132 53.871 52.037 -0.497 0.000 0.620 424 A CB -0.537 18.418 19.000 -0.075 0.000 0.822 424 A HN 0.634 nan 8.150 nan 0.000 0.443 425 E N -0.705 119.004 120.200 -0.819 0.000 2.077 425 E HA -0.248 4.102 4.350 -0.001 0.000 0.193 425 E C 2.043 178.217 176.600 -0.710 0.000 0.989 425 E CA 1.527 57.222 56.400 -1.175 0.000 0.800 425 E CB -0.249 29.080 29.700 -0.618 0.000 0.746 425 E HN 0.639 nan 8.360 nan 0.000 0.452 426 M N 0.415 119.711 119.600 -0.506 0.000 2.080 426 M HA -0.187 4.292 4.480 -0.001 0.000 0.260 426 M C 1.817 177.843 176.300 -0.457 0.000 1.068 426 M CA 1.508 56.572 55.300 -0.393 0.000 1.109 426 M CB -0.053 32.354 32.600 -0.323 0.000 1.342 426 M HN 0.197 nan 8.290 nan 0.000 0.405 427 I N 0.200 120.393 120.570 -0.628 0.000 2.133 427 I HA -0.235 3.934 4.170 -0.001 0.000 0.238 427 I C 2.212 177.919 176.117 -0.683 0.000 1.074 427 I CA 1.650 62.541 61.300 -0.682 0.000 1.342 427 I CB -1.726 35.665 38.000 -1.014 0.000 1.053 427 I HN 0.255 nan 8.210 nan 0.000 0.404 428 F N 0.996 120.571 119.950 -0.625 0.000 2.451 428 F HA -0.076 4.450 4.527 -0.001 0.000 0.299 428 F C 2.505 177.838 175.800 -0.778 0.000 1.101 428 F CA 0.813 58.317 58.000 -0.826 0.000 1.436 428 F CB -1.496 37.227 39.000 -0.462 0.000 1.074 428 F HN 0.021 nan 8.300 nan 0.000 0.553 429 T N -1.206 113.116 114.554 -0.387 0.000 3.081 429 T HA 0.244 4.593 4.350 -0.001 0.000 0.250 429 T C 1.578 176.180 174.700 -0.164 0.000 1.100 429 T CA 0.811 62.786 62.100 -0.208 0.000 1.038 429 T CB -0.437 68.320 68.868 -0.184 0.000 0.962 429 T HN 0.432 nan 8.240 nan 0.000 0.516 430 G N 2.400 111.062 108.800 -0.231 0.000 2.198 430 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.257 430 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.257 430 G C 0.287 175.146 174.900 -0.068 0.000 1.042 430 G CA -0.154 44.909 45.100 -0.062 0.000 0.791 430 G HN 0.453 nan 8.290 nan 0.000 0.502 431 N N -0.033 118.586 118.700 -0.135 0.000 2.546 431 N HA 0.294 5.034 4.740 -0.001 0.000 0.286 431 N C 0.151 175.587 175.510 -0.122 0.000 1.259 431 N CA 0.075 53.060 53.050 -0.108 0.000 0.939 431 N CB 0.981 39.400 38.487 -0.113 0.000 1.243 431 N HN 0.235 nan 8.380 nan 0.000 0.511 432 V N 1.346 121.182 119.914 -0.129 0.000 2.481 432 V HA 0.316 4.436 4.120 -0.001 0.000 0.286 432 V C 0.015 176.070 176.094 -0.065 0.000 1.042 432 V CA -0.653 61.567 62.300 -0.134 0.000 0.928 432 V CB 1.623 33.333 31.823 -0.189 0.000 0.986 432 V HN 0.206 nan 8.190 nan 0.000 0.462 433 N N 4.312 122.993 118.700 -0.032 0.000 2.776 433 N HA 0.358 5.098 4.740 -0.001 0.000 0.245 433 N C -0.862 174.670 175.510 0.037 0.000 1.121 433 N CA -0.405 52.651 53.050 0.009 0.000 0.852 433 N CB 1.003 39.499 38.487 0.015 0.000 1.142 433 N HN 0.574 nan 8.380 nan 0.000 0.514 434 N N 0.305 119.032 118.700 0.044 0.000 2.476 434 N HA 0.282 5.022 4.740 -0.001 0.000 0.276 434 N C 1.274 176.830 175.510 0.076 0.000 1.204 434 N CA -0.453 52.641 53.050 0.072 0.000 0.974 434 N CB 1.060 39.597 38.487 0.084 0.000 1.204 434 N HN 0.344 nan 8.380 nan 0.000 0.543 435 A N 0.561 123.429 122.820 0.080 0.000 1.997 435 A HA -0.141 4.179 4.320 -0.001 0.000 0.221 435 A C 1.758 179.389 177.584 0.078 0.000 1.172 435 A CA 2.237 54.317 52.037 0.072 0.000 0.645 435 A CB -1.106 17.937 19.000 0.072 0.000 0.813 435 A HN 0.715 nan 8.150 nan 0.000 0.454 436 G N -1.369 107.490 108.800 0.099 0.000 2.920 436 G HA2 0.128 4.087 3.960 -0.001 0.000 0.208 436 G HA3 0.128 4.087 3.960 -0.001 0.000 0.208 436 G C 0.539 175.504 174.900 0.108 0.000 1.159 436 G CA 0.632 45.798 45.100 0.110 0.000 0.784 436 G HN 0.777 nan 8.290 nan 0.000 0.535 437 N N -0.295 118.462 118.700 0.094 0.000 2.642 437 N HA -0.098 4.641 4.740 -0.001 0.000 0.269 437 N C 0.654 176.228 175.510 0.108 0.000 1.073 437 N CA 0.737 53.837 53.050 0.084 0.000 0.748 437 N CB -1.178 37.349 38.487 0.067 0.000 0.894 437 N HN 0.417 nan 8.380 nan 0.000 0.548 438 G N 1.478 110.360 108.800 0.137 0.000 2.606 438 G HA2 0.356 4.316 3.960 -0.001 0.000 0.252 438 G HA3 0.356 4.316 3.960 -0.001 0.000 0.252 438 G C 0.193 175.204 174.900 0.186 0.000 1.206 438 G CA -0.577 44.649 45.100 0.210 0.000 0.861 438 G HN 0.380 nan 8.290 nan 0.000 0.561 439 K N -0.021 120.518 120.400 0.233 0.000 2.149 439 K HA 0.236 4.555 4.320 -0.001 0.000 0.245 439 K C 1.141 177.882 176.600 0.235 0.000 1.024 439 K CA -0.068 56.328 56.287 0.181 0.000 0.899 439 K CB 0.713 33.292 32.500 0.132 0.000 1.038 439 K HN 0.474 nan 8.250 nan 0.000 0.496 440 G N 0.456 109.366 108.800 0.183 0.000 3.523 440 G HA2 0.001 3.961 3.960 -0.001 0.000 0.270 440 G HA3 0.001 3.961 3.960 -0.001 0.000 0.270 440 G C 0.394 175.475 174.900 0.301 0.000 1.134 440 G CA -0.203 45.018 45.100 0.201 0.000 0.825 440 G HN 0.368 nan 8.290 nan 0.000 0.534 441 R N 0.689 121.364 120.500 0.291 0.000 2.441 441 R HA 0.567 4.907 4.340 -0.001 0.000 0.284 441 R C 0.453 176.887 176.300 0.224 0.000 1.070 441 R CA -0.328 55.908 56.100 0.227 0.000 1.047 441 R CB 0.656 31.017 30.300 0.101 0.000 1.016 441 R HN 0.094 nan 8.270 nan 0.000 0.477 442 A N 2.621 125.469 122.820 0.046 0.000 2.366 442 A HA 0.269 4.588 4.320 -0.001 0.000 0.249 442 A C -0.474 176.971 177.584 -0.232 0.000 1.084 442 A CA -0.103 51.696 52.037 -0.396 0.000 0.794 442 A CB 0.710 19.389 19.000 -0.536 0.000 1.034 442 A HN 0.741 nan 8.150 nan 0.000 0.491 443 T N 1.238 115.630 114.554 -0.270 0.000 2.770 443 T HA 0.529 4.878 4.350 -0.001 0.000 0.283 443 T C -0.772 173.836 174.700 -0.152 0.000 0.988 443 T CA -0.229 61.768 62.100 -0.173 0.000 0.957 443 T CB 0.882 69.683 68.868 -0.113 0.000 0.930 443 T HN 0.455 nan 8.240 nan 0.000 0.443 444 V N 4.169 124.003 119.914 -0.134 0.000 2.525 444 V HA 0.610 4.729 4.120 -0.001 0.000 0.299 444 V C -0.529 175.486 176.094 -0.133 0.000 1.034 444 V CA -0.716 61.510 62.300 -0.123 0.000 0.863 444 V CB 1.935 33.684 31.823 -0.123 0.000 0.999 444 V HN 0.650 nan 8.190 nan 0.000 0.423 445 V N 7.036 126.871 119.914 -0.132 0.000 2.789 445 V HA 0.770 4.890 4.120 -0.001 0.000 0.311 445 V C -0.473 175.511 176.094 -0.183 0.000 1.073 445 V CA -0.383 61.837 62.300 -0.134 0.000 0.921 445 V CB 2.018 33.785 31.823 -0.094 0.000 1.009 445 V HN 0.941 nan 8.190 nan 0.000 0.426 446 M N 4.100 123.572 119.600 -0.214 0.000 2.578 446 M HA 0.632 5.112 4.480 -0.001 0.000 0.276 446 M C -1.607 174.614 176.300 -0.133 0.000 1.245 446 M CA -0.805 54.327 55.300 -0.280 0.000 0.871 446 M CB 2.330 34.441 32.600 -0.816 0.000 1.722 446 M HN 0.565 nan 8.290 nan 0.000 0.473 447 Q N 0.966 120.755 119.800 -0.018 0.000 2.327 447 Q HA 0.740 5.080 4.340 -0.001 0.000 0.270 447 Q C -0.767 175.155 176.000 -0.131 0.000 1.022 447 Q CA 0.089 55.899 55.803 0.013 0.000 0.773 447 Q CB 2.046 30.872 28.738 0.147 0.000 1.251 447 Q HN 1.151 nan 8.270 nan 0.000 0.457 448 G N 2.712 111.286 108.800 -0.377 0.000 2.350 448 G HA2 -0.033 3.926 3.960 -0.001 0.000 0.282 448 G HA3 -0.033 3.926 3.960 -0.001 0.000 0.282 448 G C -1.818 172.720 174.900 -0.604 0.000 1.314 448 G CA -0.678 43.674 45.100 -1.246 0.000 0.915 448 G HN 0.668 nan 8.290 nan 0.000 0.499 449 D N -0.517 119.546 120.400 -0.561 0.000 2.343 449 D HA 0.474 5.114 4.640 -0.001 0.000 0.255 449 D C 1.546 177.878 176.300 0.054 0.000 1.187 449 D CA -0.369 53.580 54.000 -0.086 0.000 0.875 449 D CB 1.430 42.267 40.800 0.062 0.000 1.136 449 D HN 0.561 nan 8.370 nan 0.000 0.469 450 R N 3.436 123.988 120.500 0.086 0.000 2.096 450 R HA -0.109 4.231 4.340 -0.001 0.000 0.240 450 R C 2.081 178.493 176.300 0.188 0.000 1.139 450 R CA 2.266 58.469 56.100 0.171 0.000 0.952 450 R CB -1.065 29.279 30.300 0.074 0.000 0.854 450 R HN 0.623 nan 8.270 nan 0.000 0.436 451 G N -0.858 107.999 108.800 0.095 0.000 2.469 451 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.219 451 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.219 451 G C 1.463 176.392 174.900 0.048 0.000 1.150 451 G CA 1.148 46.288 45.100 0.066 0.000 0.763 451 G HN 0.443 nan 8.290 nan 0.000 0.561 452 S N 0.387 116.087 115.700 0.001 0.000 2.462 452 S HA -0.060 4.410 4.470 -0.001 0.000 0.243 452 S C 1.638 176.079 174.600 -0.266 0.000 1.003 452 S CA 0.876 58.992 58.200 -0.140 0.000 0.970 452 S CB -0.306 62.805 63.200 -0.149 0.000 0.762 452 S HN 0.398 nan 8.310 nan 0.000 0.510 453 F N 1.115 121.099 119.950 0.056 0.000 2.754 453 F HA 0.329 4.855 4.527 -0.001 0.000 0.297 453 F C 1.784 177.596 175.800 0.020 0.000 1.122 453 F CA 0.268 58.291 58.000 0.038 0.000 1.400 453 F CB -0.503 38.516 39.000 0.032 0.000 1.117 453 F HN 0.304 nan 8.300 nan 0.000 0.587 454 G N 0.268 109.158 108.800 0.150 0.000 2.645 454 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.239 454 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.239 454 G C -0.587 174.371 174.900 0.096 0.000 1.331 454 G CA -0.284 44.872 45.100 0.093 0.000 0.890 454 G HN 0.176 nan 8.290 nan 0.000 0.572 455 D N 0.666 121.107 120.400 0.070 0.000 2.435 455 D HA 0.346 4.985 4.640 -0.001 0.000 0.230 455 D C 1.891 178.232 176.300 0.069 0.000 1.215 455 D CA 0.367 54.404 54.000 0.061 0.000 0.947 455 D CB 0.678 41.507 40.800 0.049 0.000 1.048 455 D HN 0.283 nan 8.370 nan 0.000 0.512 456 V N 3.685 123.640 119.914 0.069 0.000 2.295 456 V HA -0.213 3.906 4.120 -0.001 0.000 0.246 456 V C 2.392 178.522 176.094 0.060 0.000 1.049 456 V CA 1.750 64.087 62.300 0.061 0.000 1.024 456 V CB -0.415 31.426 31.823 0.030 0.000 0.648 456 V HN 0.577 nan 8.190 nan 0.000 0.447 457 E N 0.467 120.698 120.200 0.052 0.000 2.110 457 E HA -0.286 4.063 4.350 -0.001 0.000 0.193 457 E C 2.043 178.692 176.600 0.081 0.000 0.988 457 E CA 1.628 58.067 56.400 0.064 0.000 0.804 457 E CB -0.160 29.570 29.700 0.050 0.000 0.745 457 E HN 0.652 nan 8.360 nan 0.000 0.458 458 N N -0.433 118.310 118.700 0.072 0.000 2.188 458 N HA -0.135 4.605 4.740 -0.001 0.000 0.184 458 N C 1.649 177.218 175.510 0.099 0.000 1.018 458 N CA 1.300 54.394 53.050 0.074 0.000 0.858 458 N CB 0.069 38.590 38.487 0.056 0.000 0.989 458 N HN 0.021 nan 8.380 nan 0.000 0.426 459 V N 0.720 120.701 119.914 0.112 0.000 2.358 459 V HA -0.173 3.946 4.120 -0.001 0.000 0.246 459 V C 2.257 178.489 176.094 0.230 0.000 1.047 459 V CA 1.275 63.673 62.300 0.163 0.000 1.035 459 V CB -0.544 31.353 31.823 0.123 0.000 0.658 459 V HN 0.342 nan 8.190 nan 0.000 0.452 460 L N -0.561 120.767 121.223 0.174 0.000 2.046 460 L HA -0.183 4.156 4.340 -0.001 0.000 0.208 460 L C 2.585 179.599 176.870 0.239 0.000 1.077 460 L CA 1.682 56.649 54.840 0.212 0.000 0.747 460 L CB -0.582 41.600 42.059 0.206 0.000 0.896 460 L HN 0.269 nan 8.230 nan 0.000 0.432 461 K N 0.095 120.603 120.400 0.180 0.000 2.097 461 K HA -0.096 4.223 4.320 -0.001 0.000 0.205 461 K C 2.170 178.847 176.600 0.128 0.000 1.050 461 K CA 1.194 57.570 56.287 0.148 0.000 0.938 461 K CB -0.255 32.308 32.500 0.106 0.000 0.718 461 K HN 0.256 nan 8.250 nan 0.000 0.442 462 A N 0.251 123.142 122.820 0.120 0.000 2.131 462 A HA -0.163 4.156 4.320 -0.001 0.000 0.220 462 A C 1.113 178.644 177.584 -0.089 0.000 1.158 462 A CA 1.274 53.320 52.037 0.016 0.000 0.665 462 A CB -0.417 18.590 19.000 0.012 0.000 0.795 462 A HN 0.333 nan 8.150 nan 0.000 0.460 463 Y N -1.211 119.095 120.300 0.010 0.000 2.555 463 Y HA 0.379 4.928 4.550 -0.001 0.000 0.259 463 Y C 1.659 177.644 175.900 0.142 0.000 1.179 463 Y CA -0.047 58.052 58.100 -0.002 0.000 1.230 463 Y CB 0.175 38.624 38.460 -0.018 0.000 1.146 463 Y HN 0.394 nan 8.280 nan 0.000 0.526 464 G N 0.974 109.910 108.800 0.227 0.000 2.179 464 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.257 464 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.257 464 G C -0.014 175.033 174.900 0.245 0.000 1.010 464 G CA 0.159 45.388 45.100 0.215 0.000 0.736 464 G HN 0.284 nan 8.290 nan 0.000 0.513 465 L N -0.011 121.368 121.223 0.261 0.000 2.375 465 L HA 0.629 4.968 4.340 -0.001 0.000 0.271 465 L C 1.330 178.324 176.870 0.207 0.000 1.107 465 L CA 0.281 55.244 54.840 0.204 0.000 0.806 465 L CB 1.136 43.354 42.059 0.266 0.000 1.146 465 L HN 1.046 nan 8.230 nan 0.000 0.447 466 G N 2.462 111.296 108.800 0.056 0.000 2.760 466 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.246 466 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.246 466 G C -1.042 173.949 174.900 0.151 0.000 1.359 466 G CA -0.411 44.849 45.100 0.268 0.000 0.861 466 G HN 0.849 nan 8.290 nan 0.000 0.541 467 N N -1.134 117.667 118.700 0.168 0.000 2.430 467 N HA 0.657 5.396 4.740 -0.001 0.000 0.290 467 N C 0.867 176.443 175.510 0.110 0.000 1.063 467 N CA 0.298 53.414 53.050 0.110 0.000 0.883 467 N CB 1.896 40.430 38.487 0.079 0.000 1.465 467 N HN 0.456 nan 8.380 nan 0.000 0.493 468 S N 0.728 116.481 115.700 0.089 0.000 2.341 468 S HA 0.015 4.485 4.470 -0.001 0.000 0.216 468 S C 0.349 174.986 174.600 0.062 0.000 1.034 468 S CA 0.360 58.606 58.200 0.077 0.000 0.964 468 S CB -0.203 63.038 63.200 0.068 0.000 0.882 468 S HN 0.760 nan 8.310 nan 0.000 0.469 469 S N 2.202 117.934 115.700 0.053 0.000 2.465 469 S HA 0.544 5.013 4.470 -0.001 0.000 0.279 469 S C 0.061 174.687 174.600 0.043 0.000 1.201 469 S CA -0.754 57.472 58.200 0.043 0.000 1.053 469 S CB 1.232 64.454 63.200 0.037 0.000 0.953 469 S HN 0.163 nan 8.310 nan 0.000 0.488 470 S N 0.000 115.725 115.700 0.041 0.000 2.498 470 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 470 S CA 0.000 58.224 58.200 0.040 0.000 1.107 470 S CB 0.000 63.224 63.200 0.041 0.000 0.593 470 S HN 0.000 nan 8.310 nan 0.000 0.517