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 1uxq_1_A DATA FIRST_RESID 3 DATA SEQUENCE AGLLEGVIKE KGGVPVYPSY LAGEWGGSGQ EIEVKSPIDL ATIAKVISPS DATA SEQUENCE REEVERTLDV LFKRGRWSAR DMPGTERLAV LRKAADIIER NLDVFAEVLV DATA SEQUENCE MNAGKPKSAA VGEVKAAVDR LRLAELDLKK IGGDYIPGDW TYDTLETEGL DATA SEQUENCE VRREPLGVVA AITPFNYPLF DAVNKITYSF IYGNAVVVKP SISDPLPAAM DATA SEQUENCE AVKALLDAGF PPDAIALLNL PGKEAEKIVA DDRVAAVSFT GSTEVGERVV DATA SEQUENCE KVGGVKQYVM ELGGGDPAIV LEDADLDLAA DKIARGIYSY AGQRCDAIKL DATA SEQUENCE VLAERPVYGK LVEEVAKRLS SLRVGDPRDP TVDVGPLISP SAVDEMMAAI DATA SEQUENCE EDAVEKGGRV LAGGRRLGPT YVQPTFVEAP ADRVKDMVLY KREVFAPVAL DATA SEQUENCE AVEVKDLDQA IELANGRPYG LDAAVFGRDV VKIRRAVRLL EVGAIYINDM DATA SEQUENCE PRHGIGYYPF GGRKKSGVFR EGIGYAVEAV TAYKTIVFNY KGKGVWKYE 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.513 177.584 -0.118 0.000 1.274 3 A CA 0.000 51.951 52.037 -0.144 0.000 0.836 3 A CB 0.000 18.942 19.000 -0.098 0.000 0.831 4 G N 1.013 109.750 108.800 -0.105 0.000 4.039 4 G HA2 -0.311 3.650 3.960 0.001 0.000 0.220 4 G HA3 -0.311 3.650 3.960 0.001 0.000 0.220 4 G C 1.358 176.213 174.900 -0.074 0.000 1.391 4 G CA 0.874 45.931 45.100 -0.072 0.000 0.920 4 G HN 1.551 nan 8.290 nan 0.000 0.599 5 L N 0.431 121.606 121.223 -0.081 0.000 2.131 5 L HA 0.381 4.721 4.340 0.001 0.000 0.206 5 L C 2.160 178.951 176.870 -0.133 0.000 1.087 5 L CA 1.273 56.074 54.840 -0.065 0.000 0.767 5 L CB -0.074 41.962 42.059 -0.039 0.000 0.917 5 L HN 0.436 nan 8.230 nan 0.000 0.441 6 L N -0.839 120.262 121.223 -0.203 0.000 2.818 6 L HA 0.077 4.417 4.340 0.001 0.000 0.243 6 L C 1.747 178.438 176.870 -0.298 0.000 1.185 6 L CA -0.200 54.447 54.840 -0.321 0.000 0.988 6 L CB 0.158 41.964 42.059 -0.421 0.000 1.292 6 L HN 0.196 nan 8.230 nan 0.000 0.519 7 E N 0.883 120.963 120.200 -0.200 0.000 2.065 7 E HA -0.243 4.107 4.350 0.001 0.000 0.201 7 E C 1.993 178.492 176.600 -0.169 0.000 1.016 7 E CA 1.615 57.918 56.400 -0.162 0.000 0.818 7 E CB -0.093 29.544 29.700 -0.105 0.000 0.749 7 E HN 0.600 nan 8.360 nan 0.000 0.453 8 G N -0.164 108.538 108.800 -0.164 0.000 2.813 8 G HA2 -0.016 3.944 3.960 0.001 0.000 0.209 8 G HA3 -0.016 3.944 3.960 0.001 0.000 0.209 8 G C 1.495 176.275 174.900 -0.199 0.000 1.150 8 G CA 0.140 45.156 45.100 -0.141 0.000 0.785 8 G HN 0.069 nan 8.290 nan 0.000 0.535 9 V N 1.091 120.801 119.914 -0.340 0.000 2.341 9 V HA 0.176 4.296 4.120 0.001 0.000 0.240 9 V C 1.539 177.396 176.094 -0.395 0.000 1.035 9 V CA 0.261 62.267 62.300 -0.491 0.000 1.033 9 V CB -0.368 30.877 31.823 -0.962 0.000 0.678 9 V HN 0.199 nan 8.190 nan 0.000 0.464 10 I N 1.493 121.787 120.570 -0.460 0.000 2.710 10 I HA 0.019 4.189 4.170 0.001 0.000 0.286 10 I C 0.144 176.112 176.117 -0.248 0.000 1.181 10 I CA 0.715 61.750 61.300 -0.441 0.000 1.430 10 I CB 0.186 37.838 38.000 -0.580 0.000 1.367 10 I HN 0.270 nan 8.210 nan 0.000 0.577 11 K N 5.814 126.111 120.400 -0.172 0.000 2.358 11 K HA 0.394 4.715 4.320 0.001 0.000 0.260 11 K C -1.021 175.536 176.600 -0.071 0.000 0.956 11 K CA -0.729 55.501 56.287 -0.096 0.000 0.834 11 K CB 1.377 33.846 32.500 -0.051 0.000 1.102 11 K HN 0.343 nan 8.250 nan 0.000 0.431 12 E N 2.852 123.015 120.200 -0.062 0.000 1.893 12 E HA 0.085 4.435 4.350 0.001 0.000 0.269 12 E C -1.034 175.554 176.600 -0.020 0.000 1.129 12 E CA -0.108 56.269 56.400 -0.038 0.000 0.904 12 E CB 0.407 30.083 29.700 -0.039 0.000 1.077 12 E HN 0.191 nan 8.360 nan 0.000 0.407 13 K N 1.231 121.626 120.400 -0.009 0.000 2.240 13 K HA 0.444 4.764 4.320 0.001 0.000 0.271 13 K C 0.464 177.066 176.600 0.004 0.000 1.018 13 K CA -0.487 55.799 56.287 -0.001 0.000 0.874 13 K CB 1.561 34.064 32.500 0.005 0.000 1.098 13 K HN 0.626 nan 8.250 nan 0.000 0.458 14 G N 2.371 111.172 108.800 0.002 0.000 2.371 14 G HA2 -0.241 3.720 3.960 0.001 0.000 0.299 14 G HA3 -0.241 3.720 3.960 0.001 0.000 0.299 14 G C 0.823 175.726 174.900 0.005 0.000 1.014 14 G CA 0.520 45.622 45.100 0.004 0.000 1.097 14 G HN 1.057 nan 8.290 nan 0.000 0.512 15 G N -3.007 105.794 108.800 0.002 0.000 2.196 15 G HA2 -0.092 3.869 3.960 0.001 0.000 0.268 15 G HA3 -0.092 3.869 3.960 0.001 0.000 0.268 15 G C 0.465 175.370 174.900 0.008 0.000 0.975 15 G CA 0.912 46.014 45.100 0.002 0.000 0.648 15 G HN 1.793 nan 8.290 nan 0.000 0.538 16 V N 2.659 122.582 119.914 0.014 0.000 2.409 16 V HA 0.485 4.606 4.120 0.001 0.000 0.291 16 V C -1.732 174.386 176.094 0.039 0.000 1.020 16 V CA -1.777 60.540 62.300 0.028 0.000 0.848 16 V CB 2.010 33.852 31.823 0.031 0.000 0.990 16 V HN 0.167 nan 8.190 nan 0.000 0.430 17 P HA 0.036 nan 4.420 nan 0.000 0.263 17 P C -0.549 176.831 177.300 0.133 0.000 1.195 17 P CA 0.293 63.426 63.100 0.055 0.000 0.762 17 P CB 0.941 32.697 31.700 0.093 0.000 0.799 18 V N 6.133 126.078 119.914 0.053 0.000 2.311 18 V HA 0.145 4.266 4.120 0.001 0.000 0.275 18 V C -0.191 175.953 176.094 0.083 0.000 1.022 18 V CA -0.507 61.855 62.300 0.104 0.000 0.830 18 V CB -0.214 31.638 31.823 0.048 0.000 1.012 18 V HN 0.352 nan 8.190 nan 0.000 0.452 19 Y N 7.855 128.147 120.300 -0.014 0.000 2.404 19 Y HA 0.372 4.923 4.550 0.001 0.000 0.344 19 Y C -1.714 174.224 175.900 0.063 0.000 0.995 19 Y CA -2.619 55.475 58.100 -0.010 0.000 1.201 19 Y CB 0.751 39.208 38.460 -0.005 0.000 1.151 19 Y HN 0.439 nan 8.280 nan 0.000 0.517 20 P HA 0.214 nan 4.420 nan 0.000 0.280 20 P C -0.483 177.076 177.300 0.433 0.000 1.272 20 P CA -0.525 62.737 63.100 0.270 0.000 0.819 20 P CB 1.454 33.300 31.700 0.243 0.000 1.122 21 S N -0.182 115.702 115.700 0.307 0.000 2.617 21 S HA 0.223 4.694 4.470 0.001 0.000 0.269 21 S C -0.555 174.159 174.600 0.190 0.000 1.292 21 S CA -0.051 58.295 58.200 0.243 0.000 1.010 21 S CB -0.159 63.101 63.200 0.101 0.000 0.944 21 S HN 0.405 nan 8.310 nan 0.000 0.536 22 Y N 2.340 122.510 120.300 -0.217 0.000 2.353 22 Y HA 0.397 4.948 4.550 0.001 0.000 0.340 22 Y C -0.161 175.528 175.900 -0.352 0.000 0.972 22 Y CA -0.706 56.994 58.100 -0.667 0.000 1.157 22 Y CB 0.207 37.855 38.460 -1.355 0.000 1.157 22 Y HN 0.503 nan 8.280 nan 0.000 0.495 23 L N 6.951 127.666 121.223 -0.846 0.000 3.035 23 L HA 0.364 4.704 4.340 0.001 0.000 0.232 23 L C 0.867 177.377 176.870 -0.600 0.000 1.341 23 L CA -0.161 54.353 54.840 -0.543 0.000 1.177 23 L CB -0.764 41.112 42.059 -0.304 0.000 1.555 23 L HN 0.983 nan 8.230 nan 0.000 0.473 24 A N 0.492 122.844 122.820 -0.779 0.000 2.416 24 A HA -0.040 4.280 4.320 0.001 0.000 0.293 24 A C 1.185 178.573 177.584 -0.326 0.000 1.452 24 A CA 0.892 52.707 52.037 -0.370 0.000 0.738 24 A CB -1.623 17.303 19.000 -0.124 0.000 1.123 24 A HN 0.941 nan 8.150 nan 0.000 0.389 25 G N -1.697 106.791 108.800 -0.520 0.000 4.077 25 G HA2 0.273 4.233 3.960 0.001 0.000 0.199 25 G HA3 0.273 4.233 3.960 0.001 0.000 0.199 25 G C -0.168 174.641 174.900 -0.151 0.000 1.302 25 G CA 0.644 45.647 45.100 -0.162 0.000 0.918 25 G HN 1.123 nan 8.290 nan 0.000 0.369 26 E N -0.620 119.340 120.200 -0.400 0.000 2.340 26 E HA 0.604 4.954 4.350 0.001 0.000 0.273 26 E C -1.505 174.951 176.600 -0.239 0.000 0.891 26 E CA -0.720 55.598 56.400 -0.137 0.000 0.757 26 E CB 1.413 31.095 29.700 -0.030 0.000 1.231 26 E HN 0.285 nan 8.360 nan 0.000 0.439 27 W N 1.975 123.322 121.300 0.079 0.000 2.218 27 W HA 0.587 5.247 4.660 0.000 0.000 0.326 27 W C 0.983 177.516 176.519 0.023 0.000 1.276 27 W CA 0.698 58.111 57.345 0.113 0.000 1.210 27 W CB 1.255 30.814 29.460 0.166 0.000 1.143 27 W HN 0.649 nan 8.180 nan 0.000 0.563 28 G N 0.083 109.028 108.800 0.242 0.000 2.485 28 G HA2 0.530 4.491 3.960 0.001 0.000 0.182 28 G HA3 0.530 4.491 3.960 0.001 0.000 0.182 28 G C -0.466 174.496 174.900 0.104 0.000 1.172 28 G CA 0.123 45.304 45.100 0.136 0.000 0.996 28 G HN 1.249 nan 8.290 nan 0.000 0.496 29 G N -1.733 107.101 108.800 0.057 0.000 2.931 29 G HA2 0.483 4.444 3.960 0.001 0.000 0.675 29 G HA3 0.483 4.444 3.960 0.001 0.000 0.675 29 G C 0.041 174.966 174.900 0.041 0.000 1.339 29 G CA 0.638 45.766 45.100 0.047 0.000 0.866 29 G HN 2.098 nan 8.290 nan 0.000 0.616 30 S N 0.700 116.417 115.700 0.028 0.000 2.843 30 S HA 0.649 5.120 4.470 0.001 0.000 0.249 30 S C 1.019 175.632 174.600 0.023 0.000 1.047 30 S CA 0.680 58.895 58.200 0.025 0.000 1.042 30 S CB 0.665 63.876 63.200 0.018 0.000 0.936 30 S HN 1.877 nan 8.310 nan 0.000 0.531 31 G N 1.423 110.239 108.800 0.027 0.000 2.557 31 G HA2 0.522 4.482 3.960 0.001 0.000 0.302 31 G HA3 0.522 4.482 3.960 0.001 0.000 0.302 31 G C -0.269 174.648 174.900 0.027 0.000 1.311 31 G CA -1.014 44.101 45.100 0.024 0.000 1.030 31 G HN 0.650 nan 8.290 nan 0.000 0.509 32 Q N -0.552 119.263 119.800 0.025 0.000 2.414 32 Q HA 0.137 4.477 4.340 0.001 0.000 0.288 32 Q C -0.529 175.490 176.000 0.031 0.000 1.086 32 Q CA 0.547 56.365 55.803 0.025 0.000 0.943 32 Q CB 0.863 29.614 28.738 0.022 0.000 1.282 32 Q HN 0.450 nan 8.270 nan 0.000 0.438 33 E N 1.812 122.030 120.200 0.031 0.000 2.242 33 E HA 0.498 4.849 4.350 0.001 0.000 0.275 33 E C -0.731 175.888 176.600 0.031 0.000 1.002 33 E CA -0.608 55.814 56.400 0.037 0.000 0.841 33 E CB 1.228 30.949 29.700 0.036 0.000 1.109 33 E HN 0.496 nan 8.360 nan 0.000 0.394 34 I N 2.098 122.689 120.570 0.034 0.000 2.582 34 I HA 0.183 4.353 4.170 0.001 0.000 0.292 34 I C -0.198 175.931 176.117 0.019 0.000 1.066 34 I CA -0.753 60.561 61.300 0.024 0.000 1.053 34 I CB 1.945 39.959 38.000 0.024 0.000 1.241 34 I HN 0.355 nan 8.210 nan 0.000 0.421 35 E N 4.732 124.939 120.200 0.012 0.000 2.338 35 E HA 0.363 4.713 4.350 0.001 0.000 0.272 35 E C -1.025 175.571 176.600 -0.008 0.000 1.029 35 E CA -0.544 55.859 56.400 0.005 0.000 0.872 35 E CB 2.077 31.780 29.700 0.005 0.000 1.015 35 E HN 0.210 nan 8.360 nan 0.000 0.417 36 V N 3.779 123.681 119.914 -0.020 0.000 2.384 36 V HA 0.229 4.349 4.120 0.001 0.000 0.287 36 V C -0.004 176.070 176.094 -0.033 0.000 1.020 36 V CA -0.620 61.656 62.300 -0.040 0.000 0.850 36 V CB 1.184 32.956 31.823 -0.084 0.000 0.987 36 V HN 0.566 nan 8.190 nan 0.000 0.436 37 K N 2.109 122.490 120.400 -0.031 0.000 2.238 37 K HA 0.675 4.995 4.320 0.001 0.000 0.239 37 K C -0.349 176.236 176.600 -0.025 0.000 0.987 37 K CA -0.581 55.691 56.287 -0.024 0.000 0.857 37 K CB 2.067 34.555 32.500 -0.021 0.000 1.154 37 K HN 0.593 nan 8.250 nan 0.000 0.439 38 S N 1.351 117.043 115.700 -0.014 0.000 2.525 38 S HA 0.299 4.769 4.470 0.001 0.000 0.290 38 S C -1.820 172.773 174.600 -0.012 0.000 1.152 38 S CA -1.884 56.311 58.200 -0.008 0.000 1.072 38 S CB 0.836 64.040 63.200 0.007 0.000 1.027 38 S HN 0.423 nan 8.310 nan 0.000 0.500 39 P HA 0.081 nan 4.420 nan 0.000 0.236 39 P C 1.326 178.602 177.300 -0.042 0.000 1.177 39 P CA 0.504 63.565 63.100 -0.064 0.000 0.773 39 P CB 0.026 31.663 31.700 -0.106 0.000 0.878 40 I N 1.298 121.881 120.570 0.021 0.000 2.394 40 I HA -0.159 4.012 4.170 0.001 0.000 0.251 40 I C 0.945 177.166 176.117 0.174 0.000 1.136 40 I CA 1.819 63.193 61.300 0.123 0.000 1.425 40 I CB -0.428 37.635 38.000 0.106 0.000 1.079 40 I HN 0.083 nan 8.210 nan 0.000 0.425 41 D N -1.329 119.127 120.400 0.094 0.000 2.615 41 D HA 0.113 4.754 4.640 0.001 0.000 0.274 41 D C 0.725 177.053 176.300 0.046 0.000 1.512 41 D CA -0.422 53.624 54.000 0.078 0.000 0.803 41 D CB -0.334 40.498 40.800 0.053 0.000 1.182 41 D HN -0.035 nan 8.370 nan 0.000 0.473 42 L N -0.605 120.637 121.223 0.033 0.000 4.555 42 L HA -0.209 4.131 4.340 0.001 0.000 0.431 42 L C 0.669 177.544 176.870 0.008 0.000 1.136 42 L CA 1.000 55.847 54.840 0.013 0.000 0.972 42 L CB -2.016 40.052 42.059 0.015 0.000 1.999 42 L HN 0.471 nan 8.230 nan 0.000 0.900 43 A N -1.204 121.623 122.820 0.012 0.000 2.316 43 A HA 0.638 4.959 4.320 0.001 0.000 0.284 43 A C 0.746 178.332 177.584 0.003 0.000 1.115 43 A CA 0.184 52.226 52.037 0.008 0.000 0.812 43 A CB 0.239 19.246 19.000 0.012 0.000 1.064 43 A HN 0.170 nan 8.150 nan 0.000 0.489 44 T N 2.554 117.110 114.554 0.003 0.000 2.799 44 T HA 0.285 4.635 4.350 0.001 0.000 0.296 44 T C 1.317 176.020 174.700 0.004 0.000 0.947 44 T CA 0.519 62.620 62.100 0.001 0.000 1.141 44 T CB -0.177 68.694 68.868 0.005 0.000 0.891 44 T HN 0.577 nan 8.240 nan 0.000 0.533 45 I N 0.164 120.733 120.570 -0.002 0.000 4.057 45 I HA 0.678 4.849 4.170 0.001 0.000 0.334 45 I C 0.634 176.762 176.117 0.018 0.000 1.308 45 I CA -0.446 60.856 61.300 0.004 0.000 1.125 45 I CB 0.143 38.138 38.000 -0.009 0.000 1.034 45 I HN 0.583 nan 8.210 nan 0.000 0.401 46 A N 0.746 123.573 122.820 0.012 0.000 2.456 46 A HA 0.672 4.993 4.320 0.001 0.000 0.294 46 A C -1.582 176.022 177.584 0.034 0.000 1.057 46 A CA -0.807 51.259 52.037 0.049 0.000 0.623 46 A CB 1.055 20.070 19.000 0.025 0.000 1.338 46 A HN 0.130 nan 8.150 nan 0.000 0.464 47 K N -0.291 120.159 120.400 0.084 0.000 2.477 47 K HA 0.691 5.011 4.320 0.001 0.000 0.255 47 K C -1.254 175.409 176.600 0.105 0.000 0.952 47 K CA -0.710 55.617 56.287 0.066 0.000 0.826 47 K CB 2.620 35.158 32.500 0.064 0.000 1.331 47 K HN 1.151 nan 8.250 nan 0.000 0.437 48 V N -0.530 119.429 119.914 0.076 0.000 2.680 48 V HA 0.603 4.723 4.120 0.001 0.000 0.309 48 V C -0.339 175.812 176.094 0.095 0.000 1.052 48 V CA -1.017 61.348 62.300 0.107 0.000 0.908 48 V CB 1.468 33.332 31.823 0.070 0.000 1.001 48 V HN 0.629 nan 8.190 nan 0.000 0.431 49 I N 4.078 124.717 120.570 0.115 0.000 2.315 49 I HA 0.430 4.600 4.170 0.001 0.000 0.291 49 I C 0.856 177.023 176.117 0.084 0.000 1.006 49 I CA -0.056 61.298 61.300 0.090 0.000 1.265 49 I CB 1.653 39.709 38.000 0.094 0.000 1.387 49 I HN 0.946 nan 8.210 nan 0.000 0.475 50 S N 8.381 124.117 115.700 0.061 0.000 2.601 50 S HA 0.541 5.012 4.470 0.001 0.000 0.271 50 S C -2.438 172.187 174.600 0.042 0.000 1.305 50 S CA -1.208 57.022 58.200 0.051 0.000 1.022 50 S CB 1.342 64.566 63.200 0.040 0.000 0.940 50 S HN 0.388 nan 8.310 nan 0.000 0.525 51 P HA 0.255 nan 4.420 nan 0.000 0.279 51 P C -0.202 177.106 177.300 0.015 0.000 1.252 51 P CA -0.516 62.595 63.100 0.019 0.000 0.811 51 P CB 1.125 32.828 31.700 0.006 0.000 1.035 52 S N 1.698 117.404 115.700 0.010 0.000 2.624 52 S HA 0.249 4.719 4.470 0.001 0.000 0.263 52 S C 1.412 176.015 174.600 0.004 0.000 1.287 52 S CA -0.549 57.657 58.200 0.009 0.000 0.990 52 S CB 0.636 63.841 63.200 0.007 0.000 0.950 52 S HN 0.337 nan 8.310 nan 0.000 0.561 53 R N 0.410 120.913 120.500 0.004 0.000 2.096 53 R HA -0.109 4.231 4.340 0.001 0.000 0.235 53 R C 2.371 178.670 176.300 -0.002 0.000 1.127 53 R CA 1.696 57.797 56.100 0.002 0.000 0.968 53 R CB -0.382 29.919 30.300 0.002 0.000 0.861 53 R HN 0.883 nan 8.270 nan 0.000 0.440 54 E N 0.949 121.148 120.200 -0.001 0.000 2.106 54 E HA -0.197 4.154 4.350 0.001 0.000 0.192 54 E C 1.385 177.981 176.600 -0.007 0.000 0.984 54 E CA 1.151 57.550 56.400 -0.003 0.000 0.806 54 E CB 0.221 29.920 29.700 -0.001 0.000 0.750 54 E HN 0.408 nan 8.360 nan 0.000 0.458 55 E N -0.279 119.915 120.200 -0.009 0.000 2.158 55 E HA -0.101 4.249 4.350 0.001 0.000 0.191 55 E C 2.151 178.736 176.600 -0.024 0.000 0.982 55 E CA 0.721 57.109 56.400 -0.019 0.000 0.823 55 E CB 0.280 29.969 29.700 -0.018 0.000 0.766 55 E HN 0.110 nan 8.360 nan 0.000 0.468 56 V N 1.650 121.555 119.914 -0.015 0.000 2.261 56 V HA -0.267 3.853 4.120 0.001 0.000 0.246 56 V C 2.447 178.532 176.094 -0.015 0.000 1.047 56 V CA 2.157 64.449 62.300 -0.014 0.000 1.015 56 V CB -0.410 31.410 31.823 -0.006 0.000 0.642 56 V HN 0.232 nan 8.190 nan 0.000 0.446 57 E N 0.884 121.077 120.200 -0.012 0.000 2.058 57 E HA -0.272 4.078 4.350 0.001 0.000 0.194 57 E C 2.319 178.915 176.600 -0.006 0.000 0.997 57 E CA 1.942 58.336 56.400 -0.011 0.000 0.801 57 E CB -0.413 29.282 29.700 -0.009 0.000 0.746 57 E HN 0.458 nan 8.360 nan 0.000 0.450 58 R N -0.712 119.782 120.500 -0.009 0.000 2.075 58 R HA -0.082 4.258 4.340 0.001 0.000 0.232 58 R C 2.111 178.404 176.300 -0.011 0.000 1.126 58 R CA 1.844 57.940 56.100 -0.007 0.000 0.963 58 R CB -0.426 29.864 30.300 -0.015 0.000 0.858 58 R HN 0.243 nan 8.270 nan 0.000 0.435 59 T N 1.568 116.105 114.554 -0.028 0.000 2.708 59 T HA -0.116 4.235 4.350 0.001 0.000 0.266 59 T C 1.796 176.494 174.700 -0.003 0.000 1.037 59 T CA 1.337 63.412 62.100 -0.041 0.000 1.146 59 T CB -0.138 68.691 68.868 -0.064 0.000 0.865 59 T HN 0.173 nan 8.240 nan 0.000 0.435 60 L N 0.817 122.043 121.223 0.005 0.000 2.042 60 L HA -0.146 4.194 4.340 0.001 0.000 0.210 60 L C 2.558 179.474 176.870 0.077 0.000 1.076 60 L CA 1.627 56.483 54.840 0.025 0.000 0.749 60 L CB -0.595 41.458 42.059 -0.010 0.000 0.893 60 L HN 0.294 nan 8.230 nan 0.000 0.432 61 D N -0.325 120.114 120.400 0.065 0.000 2.117 61 D HA -0.168 4.472 4.640 0.001 0.000 0.197 61 D C 2.093 178.474 176.300 0.135 0.000 0.987 61 D CA 1.103 55.172 54.000 0.113 0.000 0.829 61 D CB 0.186 41.029 40.800 0.071 0.000 0.961 61 D HN 0.014 nan 8.370 nan 0.000 0.460 62 V N 0.334 120.296 119.914 0.080 0.000 2.307 62 V HA -0.195 3.925 4.120 0.001 0.000 0.245 62 V C 2.614 178.767 176.094 0.097 0.000 1.045 62 V CA 1.254 63.596 62.300 0.072 0.000 1.024 62 V CB -0.517 31.319 31.823 0.022 0.000 0.651 62 V HN 0.327 nan 8.190 nan 0.000 0.449 63 L N -1.299 119.983 121.223 0.098 0.000 2.012 63 L HA -0.226 4.114 4.340 0.001 0.000 0.210 63 L C 2.386 179.346 176.870 0.150 0.000 1.073 63 L CA 1.970 56.877 54.840 0.111 0.000 0.748 63 L CB -0.620 41.498 42.059 0.098 0.000 0.891 63 L HN 0.339 nan 8.230 nan 0.000 0.431 64 F N 0.815 120.776 119.950 0.018 0.000 2.084 64 F HA -0.171 4.356 4.527 0.001 0.000 0.296 64 F C 2.468 178.308 175.800 0.067 0.000 1.111 64 F CA 1.604 59.614 58.000 0.017 0.000 1.224 64 F CB -0.136 38.874 39.000 0.017 0.000 0.991 64 F HN -0.150 nan 8.300 nan 0.000 0.471 65 K N -0.579 119.889 120.400 0.113 0.000 2.228 65 K HA -0.019 4.302 4.320 0.001 0.000 0.202 65 K C 1.868 178.565 176.600 0.162 0.000 1.051 65 K CA 1.149 57.480 56.287 0.073 0.000 0.960 65 K CB 0.146 32.720 32.500 0.122 0.000 0.743 65 K HN 0.278 nan 8.250 nan 0.000 0.458 66 R N -1.610 118.976 120.500 0.143 0.000 2.444 66 R HA 0.101 4.441 4.340 0.001 0.000 0.201 66 R C 2.292 178.684 176.300 0.154 0.000 0.861 66 R CA 0.420 56.627 56.100 0.178 0.000 1.034 66 R CB -0.039 30.330 30.300 0.116 0.000 1.347 66 R HN 0.129 nan 8.270 nan 0.000 0.659 67 G N 1.696 110.556 108.800 0.100 0.000 2.440 67 G HA2 -0.275 3.685 3.960 0.001 0.000 0.218 67 G HA3 -0.275 3.685 3.960 0.001 0.000 0.218 67 G C 1.339 176.253 174.900 0.024 0.000 1.154 67 G CA 0.606 45.760 45.100 0.090 0.000 0.767 67 G HN 0.132 nan 8.290 nan 0.000 0.552 68 R N -0.630 119.806 120.500 -0.106 0.000 2.103 68 R HA -0.141 4.199 4.340 0.001 0.000 0.242 68 R C 2.422 178.483 176.300 -0.399 0.000 1.142 68 R CA 1.723 57.628 56.100 -0.326 0.000 0.960 68 R CB -0.406 29.526 30.300 -0.614 0.000 0.858 68 R HN 0.588 nan 8.270 nan 0.000 0.439 69 W N 0.211 121.485 121.300 -0.042 0.000 2.418 69 W HA -0.025 4.635 4.660 0.001 0.000 0.292 69 W C 2.550 179.060 176.519 -0.016 0.000 1.213 69 W CA 0.512 57.834 57.345 -0.038 0.000 1.283 69 W CB -0.191 29.238 29.460 -0.051 0.000 1.119 69 W HN 0.000 nan 8.180 nan 0.000 0.542 70 S N 0.400 116.212 115.700 0.186 0.000 2.383 70 S HA -0.146 4.324 4.470 0.001 0.000 0.227 70 S C 2.001 176.651 174.600 0.084 0.000 1.026 70 S CA 1.379 59.656 58.200 0.128 0.000 0.981 70 S CB -0.754 62.517 63.200 0.119 0.000 0.818 70 S HN 0.270 nan 8.310 nan 0.000 0.472 71 A N 1.836 124.695 122.820 0.066 0.000 1.854 71 A HA -0.038 4.283 4.320 0.001 0.000 0.214 71 A C 2.089 179.622 177.584 -0.084 0.000 1.192 71 A CA 1.382 53.441 52.037 0.037 0.000 0.611 71 A CB -0.552 18.494 19.000 0.076 0.000 0.832 71 A HN 0.400 nan 8.150 nan 0.000 0.442 72 R N -0.414 120.038 120.500 -0.080 0.000 2.081 72 R HA -0.136 4.204 4.340 0.001 0.000 0.235 72 R C 0.662 176.959 176.300 -0.005 0.000 1.131 72 R CA 1.691 57.740 56.100 -0.086 0.000 0.960 72 R CB -0.225 29.983 30.300 -0.153 0.000 0.856 72 R HN 0.392 nan 8.270 nan 0.000 0.436 73 D N 0.143 120.589 120.400 0.077 0.000 2.349 73 D HA -0.061 4.580 4.640 0.001 0.000 0.224 73 D C 0.297 176.616 176.300 0.032 0.000 1.029 73 D CA 0.436 54.488 54.000 0.088 0.000 0.879 73 D CB 0.123 41.012 40.800 0.148 0.000 0.906 73 D HN 0.291 nan 8.370 nan 0.000 0.528 74 M N 2.558 122.153 119.600 -0.008 0.000 2.084 74 M HA 0.235 4.715 4.480 0.001 0.000 0.351 74 M C -2.501 173.755 176.300 -0.072 0.000 1.240 74 M CA -1.674 53.610 55.300 -0.026 0.000 1.083 74 M CB 1.512 34.099 32.600 -0.022 0.000 1.593 74 M HN -0.303 nan 8.290 nan 0.000 0.463 75 P HA 0.064 nan 4.420 nan 0.000 0.269 75 P C 0.470 177.711 177.300 -0.099 0.000 1.215 75 P CA 0.221 63.285 63.100 -0.060 0.000 0.780 75 P CB 0.481 32.162 31.700 -0.030 0.000 0.898 76 G N 1.089 109.823 108.800 -0.110 0.000 2.469 76 G HA2 -0.314 3.647 3.960 0.001 0.000 0.220 76 G HA3 -0.314 3.647 3.960 0.001 0.000 0.220 76 G C 1.612 176.453 174.900 -0.098 0.000 1.136 76 G CA 1.457 46.474 45.100 -0.139 0.000 0.759 76 G HN 0.589 nan 8.290 nan 0.000 0.562 77 T N -0.346 114.173 114.554 -0.058 0.000 2.759 77 T HA -0.114 4.236 4.350 0.001 0.000 0.269 77 T C 2.161 176.846 174.700 -0.024 0.000 1.042 77 T CA 2.012 64.091 62.100 -0.035 0.000 1.140 77 T CB -0.178 68.677 68.868 -0.021 0.000 0.864 77 T HN 0.542 nan 8.240 nan 0.000 0.455 78 E N -0.375 119.809 120.200 -0.027 0.000 2.112 78 E HA -0.005 4.345 4.350 0.001 0.000 0.190 78 E C 2.587 179.198 176.600 0.017 0.000 0.979 78 E CA 0.356 56.754 56.400 -0.002 0.000 0.814 78 E CB 0.095 29.795 29.700 -0.000 0.000 0.762 78 E HN 0.420 nan 8.360 nan 0.000 0.460 79 R N 0.137 120.615 120.500 -0.036 0.000 2.091 79 R HA -0.158 4.182 4.340 0.001 0.000 0.238 79 R C 2.327 178.681 176.300 0.090 0.000 1.136 79 R CA 0.844 56.943 56.100 -0.002 0.000 0.959 79 R CB -0.276 29.743 30.300 -0.469 0.000 0.856 79 R HN 0.160 nan 8.270 nan 0.000 0.437 80 L N 0.558 121.780 121.223 -0.001 0.000 2.083 80 L HA -0.099 4.242 4.340 0.001 0.000 0.209 80 L C 2.338 179.232 176.870 0.041 0.000 1.083 80 L CA 1.754 56.602 54.840 0.014 0.000 0.752 80 L CB -0.753 41.295 42.059 -0.017 0.000 0.899 80 L HN 0.139 nan 8.230 nan 0.000 0.433 81 A N -1.502 121.340 122.820 0.037 0.000 1.898 81 A HA -0.136 4.184 4.320 0.001 0.000 0.216 81 A C 2.324 179.941 177.584 0.055 0.000 1.181 81 A CA 1.775 53.834 52.037 0.038 0.000 0.620 81 A CB -0.902 18.115 19.000 0.029 0.000 0.819 81 A HN 0.223 nan 8.150 nan 0.000 0.442 82 V N 0.328 120.292 119.914 0.083 0.000 2.255 82 V HA -0.289 3.832 4.120 0.001 0.000 0.247 82 V C 2.586 178.733 176.094 0.088 0.000 1.051 82 V CA 2.145 64.497 62.300 0.087 0.000 1.018 82 V CB -0.841 31.043 31.823 0.101 0.000 0.641 82 V HN 0.589 nan 8.190 nan 0.000 0.445 83 L N -0.669 120.628 121.223 0.123 0.000 2.083 83 L HA -0.166 4.174 4.340 0.001 0.000 0.209 83 L C 2.772 179.675 176.870 0.054 0.000 1.083 83 L CA 1.534 56.433 54.840 0.100 0.000 0.752 83 L CB -0.663 41.471 42.059 0.124 0.000 0.899 83 L HN 0.256 nan 8.230 nan 0.000 0.433 84 R N 0.097 120.625 120.500 0.046 0.000 2.090 84 R HA -0.148 4.193 4.340 0.001 0.000 0.228 84 R C 2.280 178.593 176.300 0.022 0.000 1.110 84 R CA 0.962 57.080 56.100 0.029 0.000 0.973 84 R CB -0.203 30.112 30.300 0.025 0.000 0.869 84 R HN 0.131 nan 8.270 nan 0.000 0.440 85 K N 1.308 121.725 120.400 0.028 0.000 2.025 85 K HA -0.047 4.273 4.320 0.001 0.000 0.207 85 K C 1.921 178.531 176.600 0.016 0.000 1.049 85 K CA 1.608 57.909 56.287 0.024 0.000 0.933 85 K CB -0.362 32.156 32.500 0.031 0.000 0.714 85 K HN 0.108 nan 8.250 nan 0.000 0.438 86 A N 0.552 123.383 122.820 0.019 0.000 1.940 86 A HA -0.096 4.224 4.320 0.001 0.000 0.219 86 A C 2.356 179.921 177.584 -0.031 0.000 1.176 86 A CA 2.103 54.140 52.037 0.001 0.000 0.631 86 A CB -1.063 17.939 19.000 0.004 0.000 0.814 86 A HN 0.433 nan 8.150 nan 0.000 0.446 87 A N -0.006 122.801 122.820 -0.022 0.000 1.902 87 A HA -0.191 4.130 4.320 0.001 0.000 0.217 87 A C 1.793 179.350 177.584 -0.044 0.000 1.181 87 A CA 1.852 53.864 52.037 -0.040 0.000 0.623 87 A CB -0.548 18.445 19.000 -0.012 0.000 0.818 87 A HN 0.479 nan 8.150 nan 0.000 0.443 88 D N 0.082 120.471 120.400 -0.018 0.000 2.117 88 D HA -0.115 4.525 4.640 0.001 0.000 0.197 88 D C 1.916 178.211 176.300 -0.009 0.000 0.987 88 D CA 1.214 55.209 54.000 -0.010 0.000 0.829 88 D CB -0.342 40.460 40.800 0.004 0.000 0.961 88 D HN 0.529 nan 8.370 nan 0.000 0.460 89 I N 0.784 121.352 120.570 -0.004 0.000 2.179 89 I HA -0.233 3.938 4.170 0.001 0.000 0.242 89 I C 2.460 178.582 176.117 0.009 0.000 1.088 89 I CA 0.801 62.114 61.300 0.021 0.000 1.357 89 I CB -0.182 37.842 38.000 0.040 0.000 1.051 89 I HN -0.048 nan 8.210 nan 0.000 0.409 90 I N 0.547 121.053 120.570 -0.107 0.000 2.226 90 I HA -0.298 3.872 4.170 0.001 0.000 0.245 90 I C 2.628 178.616 176.117 -0.215 0.000 1.100 90 I CA 1.470 62.553 61.300 -0.362 0.000 1.374 90 I CB -0.388 37.237 38.000 -0.625 0.000 1.057 90 I HN 0.301 nan 8.210 nan 0.000 0.413 91 E N 1.677 121.806 120.200 -0.118 0.000 2.110 91 E HA -0.267 4.083 4.350 0.001 0.000 0.193 91 E C 2.272 178.871 176.600 -0.002 0.000 0.988 91 E CA 1.300 57.666 56.400 -0.055 0.000 0.804 91 E CB 0.028 29.706 29.700 -0.036 0.000 0.745 91 E HN 0.506 nan 8.360 nan 0.000 0.458 92 R N -0.260 120.250 120.500 0.017 0.000 2.236 92 R HA 0.056 4.396 4.340 0.001 0.000 0.208 92 R C 1.010 177.355 176.300 0.074 0.000 1.036 92 R CA 1.069 57.192 56.100 0.039 0.000 1.001 92 R CB -0.050 30.271 30.300 0.034 0.000 0.896 92 R HN 0.009 nan 8.270 nan 0.000 0.464 93 N N 1.030 119.807 118.700 0.128 0.000 2.279 93 N HA 0.006 4.746 4.740 0.001 0.000 0.226 93 N C 0.872 176.567 175.510 0.309 0.000 1.126 93 N CA -0.077 53.108 53.050 0.225 0.000 0.846 93 N CB 0.752 39.457 38.487 0.364 0.000 1.050 93 N HN 0.155 nan 8.380 nan 0.000 0.502 94 L N 1.701 123.025 121.223 0.168 0.000 1.978 94 L HA -0.202 4.138 4.340 0.001 0.000 0.218 94 L C 1.423 178.394 176.870 0.170 0.000 1.075 94 L CA 2.087 57.016 54.840 0.149 0.000 0.767 94 L CB -0.689 41.407 42.059 0.062 0.000 0.890 94 L HN 0.064 nan 8.230 nan 0.000 0.434 95 D N -0.490 119.976 120.400 0.109 0.000 2.133 95 D HA -0.178 4.462 4.640 0.001 0.000 0.195 95 D C 2.261 178.607 176.300 0.077 0.000 0.997 95 D CA 1.948 55.995 54.000 0.077 0.000 0.840 95 D CB -0.399 40.430 40.800 0.049 0.000 0.947 95 D HN 0.393 nan 8.370 nan 0.000 0.452 96 V N 0.504 120.466 119.914 0.080 0.000 2.343 96 V HA -0.225 3.895 4.120 0.001 0.000 0.247 96 V C 2.265 178.340 176.094 -0.033 0.000 1.051 96 V CA 1.303 63.606 62.300 0.004 0.000 1.036 96 V CB -0.768 31.029 31.823 -0.044 0.000 0.654 96 V HN 0.020 nan 8.190 nan 0.000 0.451 97 F N 0.992 120.951 119.950 0.015 0.000 2.102 97 F HA -0.079 4.449 4.527 0.001 0.000 0.298 97 F C 2.523 178.329 175.800 0.009 0.000 1.105 97 F CA 1.596 59.606 58.000 0.017 0.000 1.239 97 F CB -0.807 38.205 39.000 0.021 0.000 0.991 97 F HN 0.071 nan 8.300 nan 0.000 0.474 98 A N -0.144 122.786 122.820 0.184 0.000 1.877 98 A HA -0.210 4.111 4.320 0.001 0.000 0.216 98 A C 2.085 179.696 177.584 0.045 0.000 1.186 98 A CA 1.856 53.949 52.037 0.094 0.000 0.620 98 A CB -0.838 18.204 19.000 0.071 0.000 0.822 98 A HN 0.432 nan 8.150 nan 0.000 0.443 99 E N -0.375 119.845 120.200 0.034 0.000 2.058 99 E HA -0.161 4.190 4.350 0.001 0.000 0.194 99 E C 1.939 178.539 176.600 0.000 0.000 0.997 99 E CA 1.518 57.926 56.400 0.013 0.000 0.801 99 E CB -0.320 29.383 29.700 0.005 0.000 0.746 99 E HN 0.407 nan 8.360 nan 0.000 0.450 100 V N 1.323 121.227 119.914 -0.016 0.000 2.490 100 V HA -0.236 3.884 4.120 0.001 0.000 0.250 100 V C 2.226 178.310 176.094 -0.017 0.000 1.061 100 V CA 1.314 63.594 62.300 -0.032 0.000 1.064 100 V CB -0.400 31.378 31.823 -0.075 0.000 0.670 100 V HN 0.260 nan 8.190 nan 0.000 0.461 101 L N -0.688 120.536 121.223 0.001 0.000 2.044 101 L HA -0.107 4.234 4.340 0.001 0.000 0.205 101 L C 2.492 179.351 176.870 -0.018 0.000 1.075 101 L CA 1.042 55.875 54.840 -0.012 0.000 0.747 101 L CB -0.492 41.558 42.059 -0.016 0.000 0.903 101 L HN 0.180 nan 8.230 nan 0.000 0.435 102 V N -0.593 119.317 119.914 -0.007 0.000 2.255 102 V HA -0.336 3.784 4.120 0.001 0.000 0.247 102 V C 2.565 178.670 176.094 0.019 0.000 1.051 102 V CA 1.681 63.984 62.300 0.006 0.000 1.018 102 V CB -0.426 31.405 31.823 0.014 0.000 0.641 102 V HN 0.363 nan 8.190 nan 0.000 0.445 103 M N -0.261 119.345 119.600 0.011 0.000 2.077 103 M HA -0.135 4.345 4.480 0.001 0.000 0.261 103 M C 2.120 178.424 176.300 0.007 0.000 1.070 103 M CA 1.746 57.052 55.300 0.011 0.000 1.125 103 M CB -1.654 30.948 32.600 0.002 0.000 1.339 103 M HN 0.484 nan 8.290 nan 0.000 0.409 104 N N -0.596 118.101 118.700 -0.005 0.000 2.270 104 N HA -0.031 4.709 4.740 0.001 0.000 0.181 104 N C 1.252 176.780 175.510 0.031 0.000 1.016 104 N CA 0.975 54.020 53.050 -0.008 0.000 0.870 104 N CB 0.282 38.745 38.487 -0.038 0.000 0.979 104 N HN 0.276 nan 8.380 nan 0.000 0.431 105 A N -0.494 122.360 122.820 0.055 0.000 2.288 105 A HA 0.388 4.708 4.320 0.001 0.000 0.216 105 A C 1.269 178.971 177.584 0.198 0.000 1.199 105 A CA 0.645 52.769 52.037 0.145 0.000 0.891 105 A CB 0.146 19.207 19.000 0.101 0.000 0.923 105 A HN 0.325 nan 8.150 nan 0.000 0.500 106 G N -0.058 108.807 108.800 0.110 0.000 2.147 106 G HA2 -0.278 3.683 3.960 0.001 0.000 0.244 106 G HA3 -0.278 3.683 3.960 0.001 0.000 0.244 106 G C 0.125 175.135 174.900 0.182 0.000 1.005 106 G CA 0.601 45.764 45.100 0.105 0.000 0.713 106 G HN 0.708 nan 8.290 nan 0.000 0.515 107 K N 0.831 121.296 120.400 0.108 0.000 2.276 107 K HA 0.481 4.802 4.320 0.001 0.000 0.283 107 K C -2.120 174.489 176.600 0.015 0.000 1.044 107 K CA -1.950 54.336 56.287 -0.003 0.000 0.944 107 K CB 0.883 33.192 32.500 -0.318 0.000 1.012 107 K HN 0.017 nan 8.250 nan 0.000 0.472 108 P HA -0.050 nan 4.420 nan 0.000 0.267 108 P C -0.230 177.075 177.300 0.009 0.000 1.200 108 P CA -0.067 63.059 63.100 0.043 0.000 0.772 108 P CB 0.752 32.491 31.700 0.065 0.000 0.855 109 K N 2.918 123.327 120.400 0.016 0.000 2.059 109 K HA -0.222 4.098 4.320 0.001 0.000 0.212 109 K C 1.880 178.482 176.600 0.003 0.000 1.050 109 K CA 2.625 58.918 56.287 0.010 0.000 0.927 109 K CB -1.062 31.447 32.500 0.016 0.000 0.714 109 K HN 0.502 nan 8.250 nan 0.000 0.447 110 S N -0.548 115.156 115.700 0.007 0.000 2.399 110 S HA -0.082 4.388 4.470 0.001 0.000 0.231 110 S C 2.173 176.765 174.600 -0.013 0.000 1.022 110 S CA 1.004 59.206 58.200 0.002 0.000 0.983 110 S CB -0.518 62.688 63.200 0.010 0.000 0.803 110 S HN 0.370 nan 8.310 nan 0.000 0.480 111 A N 1.919 124.723 122.820 -0.026 0.000 1.929 111 A HA 0.460 4.781 4.320 0.001 0.000 0.216 111 A C 2.520 180.051 177.584 -0.088 0.000 1.176 111 A CA 1.399 53.395 52.037 -0.067 0.000 0.628 111 A CB -1.368 17.568 19.000 -0.106 0.000 0.816 111 A HN 0.830 nan 8.150 nan 0.000 0.444 112 A N -0.528 122.245 122.820 -0.078 0.000 1.930 112 A HA 0.024 4.345 4.320 0.001 0.000 0.217 112 A C 2.194 179.773 177.584 -0.007 0.000 1.175 112 A CA 1.710 53.712 52.037 -0.059 0.000 0.627 112 A CB -0.816 18.163 19.000 -0.036 0.000 0.815 112 A HN 0.347 nan 8.150 nan 0.000 0.443 113 V N -0.153 119.760 119.914 -0.001 0.000 2.358 113 V HA -0.151 3.969 4.120 0.001 0.000 0.246 113 V C 2.788 178.884 176.094 0.003 0.000 1.047 113 V CA 1.869 64.176 62.300 0.012 0.000 1.035 113 V CB -1.282 30.546 31.823 0.010 0.000 0.658 113 V HN 0.609 nan 8.190 nan 0.000 0.452 114 G N -0.782 108.011 108.800 -0.011 0.000 2.422 114 G HA2 -0.285 3.675 3.960 0.001 0.000 0.218 114 G HA3 -0.285 3.675 3.960 0.001 0.000 0.218 114 G C 1.529 176.422 174.900 -0.012 0.000 1.146 114 G CA 0.941 46.029 45.100 -0.020 0.000 0.769 114 G HN 0.576 nan 8.290 nan 0.000 0.547 115 E N -0.034 120.173 120.200 0.012 0.000 2.072 115 E HA -0.083 4.267 4.350 0.001 0.000 0.191 115 E C 2.618 179.271 176.600 0.088 0.000 0.985 115 E CA 0.901 57.342 56.400 0.069 0.000 0.801 115 E CB -0.029 29.729 29.700 0.096 0.000 0.750 115 E HN 0.250 nan 8.360 nan 0.000 0.452 116 V N 1.520 121.468 119.914 0.056 0.000 2.343 116 V HA -0.257 3.863 4.120 0.001 0.000 0.247 116 V C 2.253 178.346 176.094 -0.003 0.000 1.051 116 V CA 2.012 64.325 62.300 0.022 0.000 1.036 116 V CB -0.440 31.398 31.823 0.024 0.000 0.654 116 V HN 0.228 nan 8.190 nan 0.000 0.451 117 K N 0.190 120.592 120.400 0.004 0.000 2.148 117 K HA -0.075 4.246 4.320 0.001 0.000 0.204 117 K C 2.308 178.919 176.600 0.019 0.000 1.050 117 K CA 1.314 57.600 56.287 -0.002 0.000 0.942 117 K CB -0.353 32.141 32.500 -0.009 0.000 0.724 117 K HN 0.486 nan 8.250 nan 0.000 0.446 118 A N 1.620 124.455 122.820 0.025 0.000 1.873 118 A HA -0.101 4.219 4.320 0.001 0.000 0.215 118 A C 2.391 180.126 177.584 0.252 0.000 1.186 118 A CA 1.770 53.825 52.037 0.031 0.000 0.616 118 A CB -0.648 18.230 19.000 -0.205 0.000 0.823 118 A HN 0.313 nan 8.150 nan 0.000 0.442 119 A N -0.619 122.378 122.820 0.294 0.000 1.902 119 A HA -0.012 4.309 4.320 0.001 0.000 0.217 119 A C 2.241 179.873 177.584 0.080 0.000 1.181 119 A CA 1.839 54.016 52.037 0.233 0.000 0.623 119 A CB -0.890 18.173 19.000 0.106 0.000 0.818 119 A HN 0.374 nan 8.150 nan 0.000 0.443 120 V N 0.490 120.418 119.914 0.023 0.000 2.307 120 V HA -0.219 3.902 4.120 0.001 0.000 0.245 120 V C 2.179 178.291 176.094 0.031 0.000 1.045 120 V CA 2.294 64.587 62.300 -0.012 0.000 1.024 120 V CB -0.758 31.042 31.823 -0.039 0.000 0.651 120 V HN 0.497 nan 8.190 nan 0.000 0.449 121 D N -0.269 120.165 120.400 0.058 0.000 2.117 121 D HA -0.175 4.466 4.640 0.001 0.000 0.197 121 D C 2.282 178.645 176.300 0.104 0.000 0.987 121 D CA 1.210 55.251 54.000 0.069 0.000 0.829 121 D CB -0.295 40.544 40.800 0.064 0.000 0.961 121 D HN 0.212 nan 8.370 nan 0.000 0.460 122 R N 0.802 121.400 120.500 0.163 0.000 2.083 122 R HA -0.066 4.274 4.340 0.001 0.000 0.237 122 R C 2.306 178.666 176.300 0.100 0.000 1.137 122 R CA 1.049 57.259 56.100 0.184 0.000 0.951 122 R CB -0.819 29.635 30.300 0.257 0.000 0.851 122 R HN 0.189 nan 8.270 nan 0.000 0.434 123 L N -0.185 121.078 121.223 0.065 0.000 2.046 123 L HA -0.128 4.213 4.340 0.001 0.000 0.208 123 L C 2.605 179.501 176.870 0.043 0.000 1.077 123 L CA 1.711 56.576 54.840 0.041 0.000 0.747 123 L CB -0.353 41.715 42.059 0.016 0.000 0.896 123 L HN 0.196 nan 8.230 nan 0.000 0.432 124 R N -0.208 120.317 120.500 0.041 0.000 2.189 124 R HA -0.021 4.319 4.340 0.001 0.000 0.218 124 R C 1.697 178.020 176.300 0.040 0.000 1.074 124 R CA 0.778 56.900 56.100 0.036 0.000 0.991 124 R CB -0.079 30.239 30.300 0.031 0.000 0.883 124 R HN 0.348 nan 8.270 nan 0.000 0.457 125 L N 0.082 121.338 121.223 0.055 0.000 2.653 125 L HA 0.211 4.551 4.340 0.001 0.000 0.231 125 L C 1.925 178.819 176.870 0.040 0.000 1.153 125 L CA -0.313 54.560 54.840 0.056 0.000 0.933 125 L CB 0.162 42.273 42.059 0.086 0.000 1.175 125 L HN 0.116 nan 8.230 nan 0.000 0.473 126 A N 1.020 123.857 122.820 0.029 0.000 2.076 126 A HA -0.226 4.094 4.320 0.001 0.000 0.220 126 A C 2.217 179.784 177.584 -0.028 0.000 1.160 126 A CA 1.760 53.796 52.037 -0.002 0.000 0.653 126 A CB -0.298 18.699 19.000 -0.005 0.000 0.801 126 A HN 0.682 nan 8.150 nan 0.000 0.455 127 E N 0.177 120.371 120.200 -0.010 0.000 2.153 127 E HA -0.155 4.195 4.350 0.001 0.000 0.194 127 E C 1.651 178.244 176.600 -0.012 0.000 0.988 127 E CA 1.169 57.561 56.400 -0.014 0.000 0.811 127 E CB -0.528 29.172 29.700 -0.000 0.000 0.746 127 E HN 0.612 nan 8.360 nan 0.000 0.466 128 L N 1.314 122.535 121.223 -0.003 0.000 2.376 128 L HA -0.082 4.259 4.340 0.001 0.000 0.219 128 L C 1.690 178.550 176.870 -0.018 0.000 1.133 128 L CA 0.747 55.579 54.840 -0.014 0.000 0.816 128 L CB -0.405 41.643 42.059 -0.019 0.000 0.933 128 L HN 0.133 nan 8.230 nan 0.000 0.449 129 D N 0.556 120.951 120.400 -0.008 0.000 2.310 129 D HA -0.101 4.540 4.640 0.001 0.000 0.212 129 D C 2.181 178.518 176.300 0.062 0.000 0.965 129 D CA 0.922 54.936 54.000 0.023 0.000 0.879 129 D CB 0.191 40.969 40.800 -0.037 0.000 0.921 129 D HN 0.394 nan 8.370 nan 0.000 0.510 130 L N 1.038 122.271 121.223 0.017 0.000 2.465 130 L HA -0.090 4.250 4.340 0.001 0.000 0.224 130 L C 2.394 179.271 176.870 0.012 0.000 1.145 130 L CA 0.532 55.392 54.840 0.034 0.000 0.834 130 L CB -0.372 41.689 42.059 0.003 0.000 0.944 130 L HN 0.041 nan 8.230 nan 0.000 0.451 131 K N 0.347 120.736 120.400 -0.018 0.000 2.360 131 K HA -0.163 4.157 4.320 0.001 0.000 0.201 131 K C 1.254 177.807 176.600 -0.077 0.000 1.046 131 K CA 1.210 57.468 56.287 -0.048 0.000 0.945 131 K CB -0.017 32.443 32.500 -0.068 0.000 0.750 131 K HN 0.033 nan 8.250 nan 0.000 0.464 132 K N 0.564 120.915 120.400 -0.082 0.000 2.537 132 K HA 0.336 4.656 4.320 0.001 0.000 0.206 132 K C 0.756 177.298 176.600 -0.096 0.000 1.041 132 K CA -0.124 56.080 56.287 -0.138 0.000 1.090 132 K CB 0.376 32.721 32.500 -0.259 0.000 0.833 132 K HN 0.156 nan 8.250 nan 0.000 0.493 133 I N -0.509 120.049 120.570 -0.020 0.000 2.867 133 I HA 0.101 4.272 4.170 0.001 0.000 0.265 133 I C 1.011 177.123 176.117 -0.009 0.000 1.162 133 I CA 0.065 61.367 61.300 0.002 0.000 1.471 133 I CB 0.195 38.252 38.000 0.095 0.000 1.123 133 I HN 0.241 nan 8.210 nan 0.000 0.440 134 G N 0.345 109.145 108.800 -0.000 0.000 2.690 134 G HA2 0.334 4.294 3.960 0.001 0.000 0.239 134 G HA3 0.334 4.294 3.960 0.001 0.000 0.239 134 G C 0.124 175.042 174.900 0.031 0.000 1.233 134 G CA 0.156 45.266 45.100 0.017 0.000 0.847 134 G HN 0.394 nan 8.290 nan 0.000 0.588 135 G N -0.891 107.943 108.800 0.057 0.000 2.705 135 G HA2 0.565 4.525 3.960 0.001 0.000 0.299 135 G HA3 0.565 4.525 3.960 0.001 0.000 0.299 135 G C -1.009 173.944 174.900 0.088 0.000 1.315 135 G CA -0.637 44.514 45.100 0.086 0.000 1.045 135 G HN 0.508 nan 8.290 nan 0.000 0.517 136 D N -0.856 119.598 120.400 0.090 0.000 2.248 136 D HA 0.320 4.960 4.640 0.001 0.000 0.246 136 D C -1.442 174.933 176.300 0.125 0.000 1.027 136 D CA -0.083 53.966 54.000 0.081 0.000 0.853 136 D CB 2.511 43.319 40.800 0.014 0.000 1.243 136 D HN 0.302 nan 8.370 nan 0.000 0.462 137 Y N 1.770 122.093 120.300 0.038 0.000 2.334 137 Y HA 0.466 5.017 4.550 0.001 0.000 0.336 137 Y C -0.993 174.941 175.900 0.055 0.000 0.960 137 Y CA -0.710 57.427 58.100 0.062 0.000 1.164 137 Y CB 0.576 39.073 38.460 0.062 0.000 1.155 137 Y HN 0.246 nan 8.280 nan 0.000 0.478 138 I N 9.962 130.136 120.570 -0.660 0.000 2.330 138 I HA 0.322 4.493 4.170 0.001 0.000 0.286 138 I C -2.206 173.541 176.117 -0.618 0.000 1.025 138 I CA -2.205 58.807 61.300 -0.481 0.000 1.197 138 I CB 1.155 39.016 38.000 -0.231 0.000 1.358 138 I HN 0.490 nan 8.210 nan 0.000 0.467 139 P HA 0.064 nan 4.420 nan 0.000 0.271 139 P C 0.622 177.889 177.300 -0.056 0.000 1.218 139 P CA -0.066 62.956 63.100 -0.131 0.000 0.780 139 P CB 1.289 33.124 31.700 0.225 0.000 0.901 140 G N 1.508 110.214 108.800 -0.157 0.000 3.189 140 G HA2 -0.044 3.916 3.960 0.001 0.000 0.225 140 G HA3 -0.044 3.916 3.960 0.001 0.000 0.225 140 G C 0.599 175.338 174.900 -0.269 0.000 1.159 140 G CA -0.168 44.833 45.100 -0.165 0.000 0.763 140 G HN 0.601 nan 8.290 nan 0.000 0.549 141 D N -0.458 119.680 120.400 -0.436 0.000 2.352 141 D HA -0.010 4.630 4.640 0.001 0.000 0.236 141 D C 0.479 176.259 176.300 -0.866 0.000 1.148 141 D CA -0.615 52.991 54.000 -0.658 0.000 0.844 141 D CB -0.259 40.076 40.800 -0.775 0.000 0.933 141 D HN 0.474 nan 8.370 nan 0.000 0.507 142 W N 0.645 121.818 121.300 -0.211 0.000 3.239 142 W HA 0.262 4.923 4.660 0.001 0.000 0.348 142 W C 0.391 176.810 176.519 -0.168 0.000 1.183 142 W CA -0.285 56.957 57.345 -0.173 0.000 1.819 142 W CB 0.883 30.268 29.460 -0.125 0.000 1.091 142 W HN -0.210 nan 8.180 nan 0.000 0.629 143 T N -1.218 113.258 114.554 -0.131 0.000 2.923 143 T HA 0.109 4.459 4.350 0.001 0.000 0.311 143 T C -0.133 174.452 174.700 -0.192 0.000 1.183 143 T CA -0.541 61.502 62.100 -0.095 0.000 1.020 143 T CB 1.277 70.138 68.868 -0.010 0.000 1.165 143 T HN -0.198 nan 8.240 nan 0.000 0.482 144 Y N 1.112 121.378 120.300 -0.057 0.000 2.220 144 Y HA -0.052 4.499 4.550 0.000 0.000 0.291 144 Y C 2.206 178.073 175.900 -0.055 0.000 1.129 144 Y CA 1.319 59.380 58.100 -0.064 0.000 1.161 144 Y CB 0.137 38.569 38.460 -0.046 0.000 0.997 144 Y HN 0.604 nan 8.280 nan 0.000 0.522 145 D N -1.262 119.203 120.400 0.108 0.000 2.264 145 D HA -0.106 4.534 4.640 0.001 0.000 0.208 145 D C 1.780 178.086 176.300 0.010 0.000 0.966 145 D CA 1.698 55.730 54.000 0.054 0.000 0.864 145 D CB -0.358 40.464 40.800 0.037 0.000 0.933 145 D HN 0.432 nan 8.370 nan 0.000 0.499 146 T N -2.222 112.316 114.554 -0.027 0.000 3.092 146 T HA 0.187 4.537 4.350 0.001 0.000 0.258 146 T C 0.668 175.302 174.700 -0.111 0.000 1.031 146 T CA -0.576 61.491 62.100 -0.055 0.000 0.925 146 T CB 0.051 68.885 68.868 -0.057 0.000 1.036 146 T HN -0.188 nan 8.240 nan 0.000 0.544 147 L N 2.526 123.673 121.223 -0.127 0.000 2.559 147 L HA 0.156 4.496 4.340 0.001 0.000 0.282 147 L C 1.007 177.793 176.870 -0.140 0.000 1.232 147 L CA 1.176 55.895 54.840 -0.200 0.000 0.885 147 L CB -0.501 41.474 42.059 -0.140 0.000 1.131 147 L HN 0.501 nan 8.230 nan 0.000 0.498 148 E N 0.154 120.189 120.200 -0.275 0.000 3.286 148 E HA -0.235 4.116 4.350 0.001 0.000 0.292 148 E C -0.025 176.671 176.600 0.159 0.000 0.928 148 E CA 0.923 57.313 56.400 -0.017 0.000 0.982 148 E CB -1.242 28.596 29.700 0.230 0.000 1.500 148 E HN 0.745 nan 8.360 nan 0.000 0.441 149 T N -0.413 114.119 114.554 -0.036 0.000 2.926 149 T HA 0.592 4.942 4.350 0.001 0.000 0.289 149 T C -0.843 173.901 174.700 0.074 0.000 1.054 149 T CA -0.486 61.666 62.100 0.086 0.000 1.015 149 T CB 2.269 71.143 68.868 0.010 0.000 1.167 149 T HN 0.175 nan 8.240 nan 0.000 0.526 150 E N -0.892 119.424 120.200 0.193 0.000 2.390 150 E HA 0.575 4.925 4.350 0.001 0.000 0.280 150 E C -1.324 175.389 176.600 0.189 0.000 0.992 150 E CA -0.804 55.708 56.400 0.187 0.000 0.790 150 E CB 1.999 31.979 29.700 0.467 0.000 1.248 150 E HN 0.784 nan 8.360 nan 0.000 0.447 151 G N 1.312 110.118 108.800 0.011 0.000 2.620 151 G HA2 0.647 4.608 3.960 0.001 0.000 0.301 151 G HA3 0.647 4.608 3.960 0.001 0.000 0.301 151 G C -1.846 173.083 174.900 0.048 0.000 1.347 151 G CA -0.425 44.702 45.100 0.045 0.000 0.971 151 G HN 0.208 nan 8.290 nan 0.000 0.488 152 L N 1.202 122.522 121.223 0.162 0.000 2.381 152 L HA 0.590 4.930 4.340 0.001 0.000 0.274 152 L C -0.350 176.579 176.870 0.099 0.000 0.988 152 L CA -0.733 54.221 54.840 0.190 0.000 0.824 152 L CB 2.264 44.521 42.059 0.330 0.000 1.263 152 L HN 0.319 nan 8.230 nan 0.000 0.410 153 V N 4.540 124.496 119.914 0.069 0.000 2.409 153 V HA 0.625 4.745 4.120 0.001 0.000 0.291 153 V C 0.057 176.222 176.094 0.117 0.000 1.020 153 V CA -0.711 61.615 62.300 0.044 0.000 0.848 153 V CB 1.654 33.436 31.823 -0.068 0.000 0.990 153 V HN 0.651 nan 8.190 nan 0.000 0.430 154 R N 3.110 123.698 120.500 0.147 0.000 2.854 154 R HA 0.671 5.012 4.340 0.001 0.000 0.271 154 R C -0.750 175.632 176.300 0.136 0.000 0.994 154 R CA -1.030 55.149 56.100 0.132 0.000 0.945 154 R CB 2.697 33.053 30.300 0.092 0.000 1.194 154 R HN 0.643 nan 8.270 nan 0.000 0.476 155 R N 1.181 121.700 120.500 0.031 0.000 2.486 155 R HA 0.302 4.642 4.340 0.001 0.000 0.286 155 R C -0.537 175.722 176.300 -0.068 0.000 0.999 155 R CA -0.650 55.395 56.100 -0.092 0.000 0.993 155 R CB 1.631 31.795 30.300 -0.227 0.000 1.084 155 R HN 0.589 nan 8.270 nan 0.000 0.487 156 E N 2.916 123.063 120.200 -0.089 0.000 2.314 156 E HA 0.376 4.726 4.350 0.001 0.000 0.272 156 E C -2.564 173.984 176.600 -0.087 0.000 0.884 156 E CA -2.410 53.952 56.400 -0.063 0.000 0.753 156 E CB 2.525 32.205 29.700 -0.035 0.000 1.213 156 E HN 0.242 nan 8.360 nan 0.000 0.432 157 P HA 0.045 nan 4.420 nan 0.000 0.271 157 P C 0.459 177.708 177.300 -0.085 0.000 1.218 157 P CA 0.038 63.097 63.100 -0.068 0.000 0.780 157 P CB 1.008 32.669 31.700 -0.066 0.000 0.901 158 L N 1.112 122.296 121.223 -0.064 0.000 2.217 158 L HA 0.060 4.400 4.340 0.001 0.000 0.211 158 L C 1.790 178.625 176.870 -0.057 0.000 1.107 158 L CA 1.751 56.556 54.840 -0.059 0.000 0.783 158 L CB -0.676 41.352 42.059 -0.051 0.000 0.919 158 L HN 0.770 nan 8.230 nan 0.000 0.442 159 G N -0.924 107.836 108.800 -0.066 0.000 1.920 159 G HA2 -0.194 3.766 3.960 0.001 0.000 0.210 159 G HA3 -0.194 3.766 3.960 0.001 0.000 0.210 159 G C -0.495 174.401 174.900 -0.006 0.000 1.302 159 G CA -0.260 44.794 45.100 -0.077 0.000 1.333 159 G HN -0.148 nan 8.290 nan 0.000 0.452 160 V N 1.931 121.879 119.914 0.057 0.000 2.347 160 V HA 0.629 4.750 4.120 0.001 0.000 0.280 160 V C 0.248 176.366 176.094 0.040 0.000 1.021 160 V CA -0.596 61.746 62.300 0.070 0.000 0.847 160 V CB 1.254 33.146 31.823 0.115 0.000 0.990 160 V HN 0.661 nan 8.190 nan 0.000 0.444 161 V N 4.265 124.205 119.914 0.045 0.000 2.394 161 V HA 0.687 4.807 4.120 0.001 0.000 0.282 161 V C 0.566 176.680 176.094 0.032 0.000 1.031 161 V CA -0.528 61.793 62.300 0.035 0.000 0.881 161 V CB 1.670 33.528 31.823 0.059 0.000 0.982 161 V HN 0.947 nan 8.190 nan 0.000 0.451 162 A N 4.215 127.051 122.820 0.028 0.000 2.252 162 A HA 0.790 5.110 4.320 0.001 0.000 0.309 162 A C 0.317 177.935 177.584 0.057 0.000 1.285 162 A CA -0.251 51.809 52.037 0.039 0.000 0.900 162 A CB 0.542 19.569 19.000 0.046 0.000 1.157 162 A HN 1.242 nan 8.150 nan 0.000 0.536 163 A N 3.886 126.726 122.820 0.033 0.000 2.253 163 A HA 0.648 4.969 4.320 0.001 0.000 0.316 163 A C -0.315 177.291 177.584 0.036 0.000 1.327 163 A CA -0.309 51.740 52.037 0.020 0.000 0.917 163 A CB -0.065 18.907 19.000 -0.047 0.000 1.162 163 A HN 0.747 nan 8.150 nan 0.000 0.535 164 I N 2.210 122.822 120.570 0.069 0.000 2.354 164 I HA 0.379 4.549 4.170 0.001 0.000 0.292 164 I C 0.417 176.483 176.117 -0.087 0.000 0.989 164 I CA -0.231 61.104 61.300 0.058 0.000 1.188 164 I CB 2.088 40.233 38.000 0.242 0.000 1.342 164 I HN 0.597 nan 8.210 nan 0.000 0.457 165 T N 7.221 121.733 114.554 -0.070 0.000 2.908 165 T HA 0.600 4.950 4.350 0.001 0.000 0.290 165 T C -2.618 172.032 174.700 -0.084 0.000 1.034 165 T CA -1.990 60.055 62.100 -0.092 0.000 1.010 165 T CB 1.980 70.833 68.868 -0.025 0.000 1.068 165 T HN 0.357 nan 8.240 nan 0.000 0.481 166 P HA 0.273 nan 4.420 nan 0.000 0.281 166 P C 0.582 177.902 177.300 0.034 0.000 1.281 166 P CA -0.616 62.452 63.100 -0.054 0.000 0.811 166 P CB 0.656 32.275 31.700 -0.135 0.000 1.154 167 F N 0.616 120.609 119.950 0.071 0.000 2.335 167 F HA 0.013 4.540 4.527 0.001 0.000 0.296 167 F C 1.681 177.573 175.800 0.153 0.000 1.091 167 F CA 0.895 58.954 58.000 0.097 0.000 1.399 167 F CB -1.594 37.460 39.000 0.090 0.000 1.067 167 F HN 0.143 nan 8.300 nan 0.000 0.520 168 N N -0.298 117.821 118.700 -0.968 0.000 2.520 168 N HA -0.215 4.525 4.740 0.001 0.000 0.185 168 N C -0.410 174.876 175.510 -0.373 0.000 1.068 168 N CA 1.038 53.789 53.050 -0.497 0.000 0.911 168 N CB -0.628 37.648 38.487 -0.352 0.000 0.961 168 N HN 0.563 nan 8.380 nan 0.000 0.446 169 Y N -0.157 120.110 120.300 -0.056 0.000 2.634 169 Y HA 0.303 4.853 4.550 0.001 0.000 0.300 169 Y C -1.800 174.130 175.900 0.050 0.000 0.977 169 Y CA -1.520 56.584 58.100 0.007 0.000 1.134 169 Y CB 1.433 39.944 38.460 0.084 0.000 1.161 169 Y HN -0.042 nan 8.280 nan 0.000 0.623 170 P HA -0.234 nan 4.420 nan 0.000 0.217 170 P C 1.452 178.820 177.300 0.114 0.000 1.148 170 P CA 1.351 64.510 63.100 0.099 0.000 0.828 170 P CB 0.791 32.539 31.700 0.080 0.000 0.783 171 L N -1.528 119.785 121.223 0.150 0.000 2.121 171 L HA 0.120 4.460 4.340 0.001 0.000 0.200 171 L C 2.601 179.566 176.870 0.158 0.000 1.077 171 L CA 1.261 56.200 54.840 0.165 0.000 0.766 171 L CB -1.676 40.504 42.059 0.200 0.000 0.931 171 L HN -0.222 nan 8.230 nan 0.000 0.452 172 F N 0.935 120.955 119.950 0.117 0.000 2.069 172 F HA -0.248 4.280 4.527 0.000 0.000 0.298 172 F C 2.181 178.024 175.800 0.073 0.000 1.113 172 F CA 2.138 60.192 58.000 0.090 0.000 1.214 172 F CB -0.484 38.576 39.000 0.100 0.000 0.978 172 F HN 0.221 nan 8.300 nan 0.000 0.474 173 D N 0.451 120.871 120.400 0.033 0.000 2.123 173 D HA -0.200 4.441 4.640 0.001 0.000 0.196 173 D C 2.366 178.561 176.300 -0.175 0.000 0.992 173 D CA 1.612 55.571 54.000 -0.069 0.000 0.833 173 D CB -0.721 40.136 40.800 0.096 0.000 0.954 173 D HN 0.406 nan 8.370 nan 0.000 0.455 174 A N 0.411 123.167 122.820 -0.106 0.000 1.898 174 A HA -0.114 4.206 4.320 0.001 0.000 0.216 174 A C 2.529 179.997 177.584 -0.193 0.000 1.181 174 A CA 1.117 53.084 52.037 -0.117 0.000 0.620 174 A CB -0.619 18.354 19.000 -0.046 0.000 0.819 174 A HN 0.159 nan 8.150 nan 0.000 0.442 175 V N 0.742 120.520 119.914 -0.226 0.000 2.453 175 V HA -0.200 3.921 4.120 0.001 0.000 0.247 175 V C 2.415 178.311 176.094 -0.330 0.000 1.048 175 V CA 2.124 64.281 62.300 -0.239 0.000 1.049 175 V CB -0.995 30.718 31.823 -0.183 0.000 0.672 175 V HN 0.729 nan 8.190 nan 0.000 0.457 176 N N 0.736 119.105 118.700 -0.551 0.000 2.058 176 N HA -0.175 4.565 4.740 0.001 0.000 0.191 176 N C 1.810 177.044 175.510 -0.461 0.000 1.037 176 N CA 1.709 54.464 53.050 -0.492 0.000 0.848 176 N CB -0.174 37.899 38.487 -0.690 0.000 1.021 176 N HN 0.409 nan 8.380 nan 0.000 0.422 177 K N -0.119 119.954 120.400 -0.545 0.000 2.057 177 K HA -0.031 4.289 4.320 0.001 0.000 0.207 177 K C 2.094 178.299 176.600 -0.659 0.000 1.049 177 K CA 1.113 56.872 56.287 -0.879 0.000 0.931 177 K CB -0.147 32.105 32.500 -0.413 0.000 0.714 177 K HN 0.278 nan 8.250 nan 0.000 0.440 178 I N 0.874 121.239 120.570 -0.341 0.000 2.252 178 I HA -0.261 3.909 4.170 0.001 0.000 0.245 178 I C 2.189 178.282 176.117 -0.039 0.000 1.102 178 I CA 1.224 62.427 61.300 -0.161 0.000 1.385 178 I CB -0.417 37.483 38.000 -0.167 0.000 1.064 178 I HN 0.184 nan 8.210 nan 0.000 0.414 179 T N 0.743 115.240 114.554 -0.094 0.000 2.643 179 T HA -0.230 4.120 4.350 0.001 0.000 0.264 179 T C 1.806 176.537 174.700 0.053 0.000 1.045 179 T CA 2.084 64.203 62.100 0.032 0.000 1.155 179 T CB -0.581 68.291 68.868 0.007 0.000 0.863 179 T HN 0.503 nan 8.240 nan 0.000 0.420 180 Y N 1.453 121.767 120.300 0.023 0.000 2.352 180 Y HA 0.138 4.688 4.550 0.000 0.000 0.292 180 Y C 2.365 178.320 175.900 0.091 0.000 1.136 180 Y CA 0.374 58.484 58.100 0.016 0.000 1.227 180 Y CB -1.070 37.453 38.460 0.104 0.000 0.991 180 Y HN 0.040 nan 8.280 nan 0.000 0.545 181 S N 0.344 116.108 115.700 0.107 0.000 2.371 181 S HA -0.091 4.379 4.470 0.001 0.000 0.224 181 S C 1.640 176.361 174.600 0.202 0.000 1.029 181 S CA 1.224 59.543 58.200 0.198 0.000 0.978 181 S CB -0.671 62.571 63.200 0.070 0.000 0.833 181 S HN 0.563 nan 8.310 nan 0.000 0.466 182 F N 1.863 121.830 119.950 0.029 0.000 2.187 182 F HA 0.098 4.626 4.527 0.001 0.000 0.295 182 F C 1.835 177.568 175.800 -0.112 0.000 1.091 182 F CA 0.329 58.324 58.000 -0.008 0.000 1.308 182 F CB -0.474 38.573 39.000 0.078 0.000 1.030 182 F HN 0.091 nan 8.300 nan 0.000 0.487 183 I N 0.023 120.424 120.570 -0.281 0.000 2.315 183 I HA -0.333 3.838 4.170 0.001 0.000 0.251 183 I C 1.468 177.238 176.117 -0.577 0.000 1.125 183 I CA 1.799 62.784 61.300 -0.524 0.000 1.392 183 I CB -0.766 36.913 38.000 -0.535 0.000 1.065 183 I HN 0.186 nan 8.210 nan 0.000 0.424 184 Y N 0.620 120.830 120.300 -0.150 0.000 2.490 184 Y HA 0.402 4.953 4.550 0.000 0.000 0.281 184 Y C 1.873 177.668 175.900 -0.176 0.000 1.174 184 Y CA 0.114 58.133 58.100 -0.135 0.000 1.295 184 Y CB -0.403 38.017 38.460 -0.068 0.000 1.062 184 Y HN 0.264 nan 8.280 nan 0.000 0.522 185 G N -0.202 108.493 108.800 -0.175 0.000 2.138 185 G HA2 -0.232 3.728 3.960 0.001 0.000 0.193 185 G HA3 -0.232 3.728 3.960 0.001 0.000 0.193 185 G C -0.081 174.757 174.900 -0.104 0.000 0.998 185 G CA -0.476 44.508 45.100 -0.194 0.000 0.668 185 G HN 0.271 nan 8.290 nan 0.000 0.516 186 N N 0.426 119.119 118.700 -0.011 0.000 2.495 186 N HA 0.684 5.424 4.740 0.001 0.000 0.280 186 N C 0.453 176.051 175.510 0.147 0.000 1.168 186 N CA 0.426 53.505 53.050 0.047 0.000 0.978 186 N CB 1.647 40.187 38.487 0.088 0.000 1.191 186 N HN 0.573 nan 8.380 nan 0.000 0.497 187 A N 0.488 123.378 122.820 0.116 0.000 2.269 187 A HA 0.696 5.016 4.320 0.001 0.000 0.319 187 A C -0.460 177.220 177.584 0.160 0.000 1.110 187 A CA -0.439 51.703 52.037 0.175 0.000 0.847 187 A CB 0.698 19.762 19.000 0.106 0.000 1.161 187 A HN 0.370 nan 8.150 nan 0.000 0.497 188 V N 0.414 120.420 119.914 0.154 0.000 2.808 188 V HA 0.459 4.580 4.120 0.001 0.000 0.308 188 V C -0.811 175.298 176.094 0.025 0.000 1.099 188 V CA -0.643 61.703 62.300 0.076 0.000 0.920 188 V CB 1.653 33.508 31.823 0.053 0.000 1.014 188 V HN 0.702 nan 8.190 nan 0.000 0.425 189 V N 3.766 123.689 119.914 0.016 0.000 2.347 189 V HA 0.518 4.638 4.120 0.001 0.000 0.280 189 V C -0.078 176.013 176.094 -0.006 0.000 1.021 189 V CA -0.675 61.627 62.300 0.003 0.000 0.847 189 V CB 1.385 33.217 31.823 0.013 0.000 0.990 189 V HN 0.608 nan 8.190 nan 0.000 0.444 190 V N 4.736 124.636 119.914 -0.023 0.000 2.439 190 V HA 0.549 4.670 4.120 0.001 0.000 0.282 190 V C 0.075 176.172 176.094 0.006 0.000 1.039 190 V CA -0.557 61.730 62.300 -0.022 0.000 0.913 190 V CB 1.668 33.461 31.823 -0.050 0.000 0.983 190 V HN 0.953 nan 8.190 nan 0.000 0.460 191 K N 8.310 128.724 120.400 0.022 0.000 2.575 191 K HA 0.505 4.825 4.320 0.001 0.000 0.236 191 K C -2.792 173.833 176.600 0.041 0.000 0.976 191 K CA -1.713 54.599 56.287 0.040 0.000 0.985 191 K CB 1.876 34.410 32.500 0.057 0.000 1.198 191 K HN 0.386 nan 8.250 nan 0.000 0.464 192 P HA 0.091 nan 4.420 nan 0.000 0.278 192 P C -0.561 176.774 177.300 0.059 0.000 1.258 192 P CA -0.529 62.598 63.100 0.045 0.000 0.811 192 P CB 1.288 33.016 31.700 0.047 0.000 1.063 193 S N 0.748 116.492 115.700 0.074 0.000 2.546 193 S HA -0.016 4.454 4.470 0.001 0.000 0.290 193 S C 1.379 176.023 174.600 0.074 0.000 1.290 193 S CA -0.483 57.776 58.200 0.097 0.000 1.069 193 S CB -0.801 62.499 63.200 0.166 0.000 0.846 193 S HN 0.356 nan 8.310 nan 0.000 0.495 194 I N 5.482 126.088 120.570 0.061 0.000 2.916 194 I HA -0.044 4.126 4.170 0.001 0.000 0.267 194 I C 2.260 178.391 176.117 0.024 0.000 1.263 194 I CA 1.129 62.453 61.300 0.039 0.000 1.471 194 I CB -0.548 37.473 38.000 0.036 0.000 1.089 194 I HN 0.778 nan 8.210 nan 0.000 0.468 195 S N 0.762 116.484 115.700 0.036 0.000 2.371 195 S HA -0.082 4.388 4.470 0.001 0.000 0.224 195 S C 0.716 175.325 174.600 0.015 0.000 1.029 195 S CA 1.338 59.545 58.200 0.012 0.000 0.978 195 S CB -0.193 63.008 63.200 0.001 0.000 0.833 195 S HN 0.661 nan 8.310 nan 0.000 0.466 196 D N -0.460 119.970 120.400 0.049 0.000 2.968 196 D HA 0.230 4.871 4.640 0.001 0.000 0.301 196 D C -2.465 173.842 176.300 0.011 0.000 1.226 196 D CA -1.088 52.928 54.000 0.027 0.000 0.746 196 D CB 0.528 41.378 40.800 0.084 0.000 1.278 196 D HN 0.243 nan 8.370 nan 0.000 0.544 197 P HA 0.066 nan 4.420 nan 0.000 0.245 197 P C 1.416 178.679 177.300 -0.062 0.000 1.212 197 P CA -0.096 62.995 63.100 -0.015 0.000 0.774 197 P CB 0.595 32.297 31.700 0.003 0.000 0.999 198 L N -0.069 121.051 121.223 -0.171 0.000 2.056 198 L HA -0.034 4.307 4.340 0.001 0.000 0.207 198 L C -0.298 176.521 176.870 -0.085 0.000 1.078 198 L CA 1.710 56.374 54.840 -0.293 0.000 0.749 198 L CB -2.464 39.310 42.059 -0.475 0.000 0.901 198 L HN 0.041 nan 8.230 nan 0.000 0.433 199 P HA -0.141 nan 4.420 nan 0.000 0.217 199 P C 1.530 178.903 177.300 0.121 0.000 1.150 199 P CA 1.660 64.794 63.100 0.057 0.000 0.832 199 P CB 0.035 31.788 31.700 0.089 0.000 0.787 200 A N 0.139 123.014 122.820 0.092 0.000 1.902 200 A HA -0.109 4.211 4.320 0.001 0.000 0.217 200 A C 2.328 179.998 177.584 0.143 0.000 1.181 200 A CA 2.054 54.149 52.037 0.097 0.000 0.623 200 A CB -1.638 17.401 19.000 0.065 0.000 0.818 200 A HN 0.180 nan 8.150 nan 0.000 0.443 201 A N -0.312 122.617 122.820 0.181 0.000 1.908 201 A HA -0.176 4.144 4.320 0.001 0.000 0.218 201 A C 2.270 180.006 177.584 0.254 0.000 1.181 201 A CA 1.956 54.185 52.037 0.320 0.000 0.627 201 A CB -0.593 18.625 19.000 0.363 0.000 0.818 201 A HN 0.562 nan 8.150 nan 0.000 0.445 202 M N -0.706 118.977 119.600 0.139 0.000 2.132 202 M HA -0.099 4.381 4.480 0.001 0.000 0.263 202 M C 2.542 179.010 176.300 0.279 0.000 1.065 202 M CA 1.368 56.697 55.300 0.048 0.000 1.122 202 M CB -0.469 31.922 32.600 -0.348 0.000 1.365 202 M HN 0.470 nan 8.290 nan 0.000 0.411 203 A N 0.101 123.124 122.820 0.338 0.000 1.873 203 A HA -0.079 4.241 4.320 0.001 0.000 0.215 203 A C 2.256 179.895 177.584 0.091 0.000 1.186 203 A CA 1.436 53.629 52.037 0.259 0.000 0.616 203 A CB -0.983 18.108 19.000 0.152 0.000 0.823 203 A HN 0.273 nan 8.150 nan 0.000 0.442 204 V N 0.303 120.251 119.914 0.057 0.000 2.469 204 V HA -0.247 3.873 4.120 0.001 0.000 0.251 204 V C 2.581 178.658 176.094 -0.028 0.000 1.064 204 V CA 2.466 64.716 62.300 -0.083 0.000 1.066 204 V CB -0.602 31.166 31.823 -0.092 0.000 0.667 204 V HN 0.628 nan 8.190 nan 0.000 0.461 205 K N 1.048 121.557 120.400 0.182 0.000 2.057 205 K HA -0.023 4.297 4.320 0.001 0.000 0.206 205 K C 2.092 178.744 176.600 0.087 0.000 1.050 205 K CA 1.640 58.044 56.287 0.193 0.000 0.935 205 K CB -0.715 31.851 32.500 0.111 0.000 0.715 205 K HN 0.357 nan 8.250 nan 0.000 0.439 206 A N 0.614 123.500 122.820 0.111 0.000 1.933 206 A HA -0.107 4.213 4.320 0.001 0.000 0.218 206 A C 2.214 179.813 177.584 0.025 0.000 1.175 206 A CA 1.598 53.690 52.037 0.092 0.000 0.628 206 A CB -0.684 18.396 19.000 0.134 0.000 0.814 206 A HN 0.319 nan 8.150 nan 0.000 0.444 207 L N -0.871 120.334 121.223 -0.030 0.000 2.056 207 L HA -0.145 4.196 4.340 0.001 0.000 0.207 207 L C 2.557 179.407 176.870 -0.032 0.000 1.078 207 L CA 1.004 55.803 54.840 -0.068 0.000 0.749 207 L CB -0.447 41.455 42.059 -0.262 0.000 0.901 207 L HN 0.363 nan 8.230 nan 0.000 0.433 208 L N -0.532 120.633 121.223 -0.097 0.000 2.083 208 L HA -0.232 4.109 4.340 0.001 0.000 0.209 208 L C 2.127 179.008 176.870 0.018 0.000 1.083 208 L CA 1.039 55.841 54.840 -0.063 0.000 0.752 208 L CB -0.559 41.401 42.059 -0.165 0.000 0.899 208 L HN 0.283 nan 8.230 nan 0.000 0.433 209 D N 0.075 120.492 120.400 0.029 0.000 2.219 209 D HA -0.112 4.529 4.640 0.001 0.000 0.205 209 D C 2.111 178.435 176.300 0.040 0.000 0.970 209 D CA 1.294 55.318 54.000 0.041 0.000 0.851 209 D CB 0.046 40.871 40.800 0.042 0.000 0.943 209 D HN 0.303 nan 8.370 nan 0.000 0.488 210 A N -0.413 122.431 122.820 0.040 0.000 2.167 210 A HA 0.357 4.678 4.320 0.001 0.000 0.214 210 A C 1.787 179.400 177.584 0.049 0.000 1.151 210 A CA 1.352 53.414 52.037 0.043 0.000 0.735 210 A CB -0.041 18.984 19.000 0.042 0.000 0.802 210 A HN 0.282 nan 8.150 nan 0.000 0.467 211 G N -2.410 106.424 108.800 0.058 0.000 2.192 211 G HA2 -0.188 3.773 3.960 0.001 0.000 0.193 211 G HA3 -0.188 3.773 3.960 0.001 0.000 0.193 211 G C 0.024 174.960 174.900 0.060 0.000 0.999 211 G CA -0.137 44.997 45.100 0.056 0.000 0.659 211 G HN 0.517 nan 8.290 nan 0.000 0.503 212 F N 3.112 122.986 119.950 -0.127 0.000 2.590 212 F HA 0.442 4.970 4.527 0.001 0.000 0.389 212 F C -1.422 174.298 175.800 -0.133 0.000 1.049 212 F CA -1.514 56.336 58.000 -0.250 0.000 1.199 212 F CB 0.463 39.232 39.000 -0.385 0.000 1.058 212 F HN -0.041 nan 8.300 nan 0.000 0.556 213 P HA -0.107 nan 4.420 nan 0.000 0.252 213 P C -1.869 175.575 177.300 0.240 0.000 1.147 213 P CA -0.483 62.677 63.100 0.100 0.000 0.779 213 P CB 0.085 31.814 31.700 0.049 0.000 0.733 214 P HA -0.213 nan 4.420 nan 0.000 0.218 214 P C 0.513 177.951 177.300 0.229 0.000 1.146 214 P CA 1.637 64.863 63.100 0.210 0.000 0.813 214 P CB 0.053 31.857 31.700 0.173 0.000 0.778 215 D N -1.023 119.477 120.400 0.167 0.000 2.349 215 D HA 0.158 4.798 4.640 0.001 0.000 0.214 215 D C 1.382 177.769 176.300 0.146 0.000 1.063 215 D CA -0.014 54.059 54.000 0.122 0.000 0.847 215 D CB -0.597 40.257 40.800 0.090 0.000 0.933 215 D HN 0.123 nan 8.370 nan 0.000 0.513 216 A N 0.192 123.144 122.820 0.221 0.000 2.348 216 A HA 0.431 4.751 4.320 0.001 0.000 0.224 216 A C 0.543 178.323 177.584 0.327 0.000 1.227 216 A CA -0.311 51.886 52.037 0.266 0.000 0.885 216 A CB -0.029 19.141 19.000 0.283 0.000 0.933 216 A HN 0.332 nan 8.150 nan 0.000 0.506 217 I N -1.141 119.556 120.570 0.212 0.000 2.802 217 I HA 0.679 4.849 4.170 0.001 0.000 0.298 217 I C -1.260 174.896 176.117 0.066 0.000 1.176 217 I CA -1.010 60.301 61.300 0.019 0.000 1.025 217 I CB 2.228 39.972 38.000 -0.426 0.000 1.243 217 I HN 0.063 nan 8.210 nan 0.000 0.424 218 A N 6.132 128.953 122.820 0.002 0.000 2.520 218 A HA 0.752 5.072 4.320 0.001 0.000 0.298 218 A C -2.260 175.310 177.584 -0.023 0.000 1.051 218 A CA -0.437 51.599 52.037 -0.002 0.000 0.690 218 A CB 1.810 20.782 19.000 -0.046 0.000 1.281 218 A HN 0.584 nan 8.150 nan 0.000 0.402 219 L N 2.600 123.810 121.223 -0.020 0.000 2.372 219 L HA 0.682 5.023 4.340 0.001 0.000 0.273 219 L C -1.576 175.307 176.870 0.021 0.000 0.989 219 L CA -0.234 54.606 54.840 0.001 0.000 0.841 219 L CB 0.946 43.018 42.059 0.022 0.000 1.225 219 L HN 0.597 nan 8.230 nan 0.000 0.414 220 L N 5.079 126.317 121.223 0.025 0.000 2.319 220 L HA 0.512 4.852 4.340 0.001 0.000 0.281 220 L C -0.185 176.716 176.870 0.051 0.000 1.005 220 L CA -0.607 54.252 54.840 0.032 0.000 0.828 220 L CB 1.395 43.463 42.059 0.015 0.000 1.227 220 L HN 0.531 nan 8.230 nan 0.000 0.415 221 N N 5.784 124.524 118.700 0.066 0.000 2.807 221 N HA 0.326 5.067 4.740 0.001 0.000 0.259 221 N C -0.789 174.753 175.510 0.052 0.000 1.149 221 N CA 0.137 53.226 53.050 0.066 0.000 1.042 221 N CB 0.540 39.076 38.487 0.082 0.000 1.367 221 N HN 0.454 nan 8.380 nan 0.000 0.516 222 L N 2.760 124.011 121.223 0.048 0.000 2.341 222 L HA 0.517 4.857 4.340 0.001 0.000 0.278 222 L C -2.096 174.802 176.870 0.046 0.000 1.005 222 L CA -1.911 52.955 54.840 0.043 0.000 0.818 222 L CB 2.532 44.615 42.059 0.040 0.000 1.259 222 L HN 0.108 nan 8.230 nan 0.000 0.418 223 P HA 0.128 nan 4.420 nan 0.000 0.282 223 P C 0.633 177.961 177.300 0.048 0.000 1.249 223 P CA 0.056 63.182 63.100 0.042 0.000 0.806 223 P CB 1.524 33.243 31.700 0.033 0.000 0.984 224 G N 4.628 113.463 108.800 0.058 0.000 3.271 224 G HA2 -0.408 3.553 3.960 0.001 0.000 0.325 224 G HA3 -0.408 3.553 3.960 0.001 0.000 0.325 224 G C 1.145 176.080 174.900 0.058 0.000 0.911 224 G CA 2.010 47.149 45.100 0.065 0.000 0.762 224 G HN 0.780 nan 8.290 nan 0.000 1.141 225 K N 0.778 121.204 120.400 0.042 0.000 2.519 225 K HA 0.035 4.355 4.320 0.001 0.000 0.196 225 K C 1.787 178.405 176.600 0.029 0.000 1.041 225 K CA 1.738 58.045 56.287 0.032 0.000 0.954 225 K CB 0.028 32.542 32.500 0.022 0.000 0.774 225 K HN 0.456 nan 8.250 nan 0.000 0.480 226 E N 1.137 121.356 120.200 0.033 0.000 2.208 226 E HA -0.090 4.261 4.350 0.001 0.000 0.193 226 E C 1.977 178.596 176.600 0.031 0.000 0.988 226 E CA 1.136 57.553 56.400 0.028 0.000 0.828 226 E CB -0.048 29.670 29.700 0.029 0.000 0.763 226 E HN 0.550 nan 8.360 nan 0.000 0.478 227 A N 1.236 124.082 122.820 0.043 0.000 2.066 227 A HA -0.132 4.189 4.320 0.001 0.000 0.218 227 A C 1.928 179.537 177.584 0.043 0.000 1.157 227 A CA 0.712 52.779 52.037 0.050 0.000 0.670 227 A CB -0.283 18.763 19.000 0.076 0.000 0.804 227 A HN 0.163 nan 8.150 nan 0.000 0.453 228 E N 0.392 120.612 120.200 0.034 0.000 2.130 228 E HA -0.256 4.094 4.350 0.001 0.000 0.196 228 E C 1.774 178.384 176.600 0.016 0.000 0.998 228 E CA 1.627 58.041 56.400 0.023 0.000 0.806 228 E CB -0.195 29.513 29.700 0.014 0.000 0.738 228 E HN 0.650 nan 8.360 nan 0.000 0.459 229 K N 0.353 120.760 120.400 0.012 0.000 2.152 229 K HA -0.149 4.171 4.320 0.001 0.000 0.206 229 K C 1.998 178.597 176.600 -0.002 0.000 1.048 229 K CA 1.145 57.434 56.287 0.003 0.000 0.933 229 K CB -0.086 32.416 32.500 0.003 0.000 0.721 229 K HN 0.190 nan 8.250 nan 0.000 0.447 230 I N -0.032 120.543 120.570 0.009 0.000 2.235 230 I HA -0.202 3.968 4.170 0.001 0.000 0.241 230 I C 2.101 178.221 176.117 0.005 0.000 1.085 230 I CA 0.701 62.004 61.300 0.005 0.000 1.378 230 I CB -0.244 37.768 38.000 0.020 0.000 1.076 230 I HN -0.099 nan 8.210 nan 0.000 0.415 231 V N 1.408 121.338 119.914 0.025 0.000 2.332 231 V HA -0.298 3.822 4.120 0.001 0.000 0.248 231 V C 2.547 178.650 176.094 0.015 0.000 1.055 231 V CA 2.128 64.449 62.300 0.035 0.000 1.038 231 V CB -0.925 30.935 31.823 0.062 0.000 0.651 231 V HN 0.517 nan 8.190 nan 0.000 0.450 232 A N -1.313 121.511 122.820 0.005 0.000 2.206 232 A HA -0.054 4.266 4.320 0.001 0.000 0.211 232 A C 1.174 178.739 177.584 -0.031 0.000 1.158 232 A CA 0.316 52.350 52.037 -0.006 0.000 0.761 232 A CB -0.342 18.655 19.000 -0.005 0.000 0.801 232 A HN 0.531 nan 8.150 nan 0.000 0.473 233 D N 0.049 120.422 120.400 -0.045 0.000 2.350 233 D HA 0.074 4.715 4.640 0.001 0.000 0.249 233 D C -0.335 175.896 176.300 -0.115 0.000 1.119 233 D CA -0.221 53.731 54.000 -0.080 0.000 0.886 233 D CB 0.789 41.539 40.800 -0.083 0.000 1.195 233 D HN 0.085 nan 8.370 nan 0.000 0.437 234 D N 2.932 123.244 120.400 -0.145 0.000 2.310 234 D HA -0.095 4.545 4.640 0.001 0.000 0.212 234 D C 1.599 177.729 176.300 -0.282 0.000 0.965 234 D CA 0.665 54.560 54.000 -0.174 0.000 0.879 234 D CB 0.197 40.903 40.800 -0.156 0.000 0.921 234 D HN 0.358 nan 8.370 nan 0.000 0.510 235 R N -0.211 120.046 120.500 -0.404 0.000 2.276 235 R HA 0.070 4.411 4.340 0.001 0.000 0.203 235 R C 0.341 176.515 176.300 -0.210 0.000 1.017 235 R CA 0.144 55.856 56.100 -0.647 0.000 1.010 235 R CB 0.274 30.121 30.300 -0.754 0.000 0.900 235 R HN -0.039 nan 8.270 nan 0.000 0.469 236 V N 1.242 121.073 119.914 -0.138 0.000 2.353 236 V HA 0.216 4.337 4.120 0.001 0.000 0.264 236 V C 0.875 176.917 176.094 -0.085 0.000 1.049 236 V CA -0.107 62.152 62.300 -0.069 0.000 0.896 236 V CB 0.958 32.746 31.823 -0.058 0.000 1.025 236 V HN 0.253 nan 8.190 nan 0.000 0.475 237 A N 4.255 127.043 122.820 -0.055 0.000 2.123 237 A HA 0.663 4.984 4.320 0.001 0.000 0.214 237 A C 1.063 178.559 177.584 -0.147 0.000 1.152 237 A CA 0.971 52.960 52.037 -0.080 0.000 0.728 237 A CB 0.152 19.134 19.000 -0.030 0.000 0.814 237 A HN 1.084 nan 8.150 nan 0.000 0.464 238 A N -1.442 121.295 122.820 -0.139 0.000 2.594 238 A HA 0.602 4.923 4.320 0.001 0.000 0.295 238 A C -1.413 176.089 177.584 -0.137 0.000 1.071 238 A CA -0.348 51.576 52.037 -0.189 0.000 0.685 238 A CB 1.313 20.253 19.000 -0.100 0.000 1.285 238 A HN 0.448 nan 8.150 nan 0.000 0.405 239 V N 1.479 121.294 119.914 -0.165 0.000 2.447 239 V HA 0.533 4.654 4.120 0.001 0.000 0.292 239 V C 0.120 176.306 176.094 0.154 0.000 1.021 239 V CA -0.388 61.926 62.300 0.022 0.000 0.850 239 V CB 1.595 33.474 31.823 0.093 0.000 1.005 239 V HN 0.949 nan 8.190 nan 0.000 0.426 240 S N 5.917 121.722 115.700 0.176 0.000 2.404 240 S HA 0.637 5.107 4.470 0.001 0.000 0.309 240 S C -1.025 173.731 174.600 0.261 0.000 1.076 240 S CA -0.338 58.000 58.200 0.229 0.000 1.095 240 S CB 0.003 63.337 63.200 0.223 0.000 0.972 240 S HN 0.543 nan 8.310 nan 0.000 0.484 241 F N 4.290 124.325 119.950 0.141 0.000 2.493 241 F HA 0.600 5.128 4.527 0.001 0.000 0.329 241 F C -0.416 175.458 175.800 0.123 0.000 1.126 241 F CA -0.250 57.822 58.000 0.120 0.000 0.937 241 F CB 1.984 41.053 39.000 0.114 0.000 1.146 241 F HN 0.375 nan 8.300 nan 0.000 0.442 242 T N 4.859 119.051 114.554 -0.603 0.000 2.840 242 T HA 0.779 5.129 4.350 0.001 0.000 0.287 242 T C -0.154 174.042 174.700 -0.840 0.000 0.991 242 T CA -0.356 61.513 62.100 -0.384 0.000 0.964 242 T CB 1.120 69.928 68.868 -0.099 0.000 0.954 242 T HN 1.070 nan 8.240 nan 0.000 0.438 243 G N 1.797 110.285 108.800 -0.520 0.000 2.364 243 G HA2 0.515 4.475 3.960 0.001 0.000 0.286 243 G HA3 0.515 4.475 3.960 0.001 0.000 0.286 243 G C -0.772 174.201 174.900 0.122 0.000 1.241 243 G CA -0.427 44.500 45.100 -0.288 0.000 0.887 243 G HN 0.842 nan 8.290 nan 0.000 0.484 244 S N -0.652 115.171 115.700 0.205 0.000 2.601 244 S HA 0.481 4.951 4.470 0.001 0.000 0.271 244 S C 1.377 176.107 174.600 0.217 0.000 1.305 244 S CA 0.827 59.110 58.200 0.138 0.000 1.022 244 S CB 1.373 64.617 63.200 0.074 0.000 0.940 244 S HN 0.767 nan 8.310 nan 0.000 0.525 245 T N 1.261 115.916 114.554 0.169 0.000 2.665 245 T HA -0.187 4.163 4.350 0.001 0.000 0.268 245 T C 1.594 176.335 174.700 0.067 0.000 1.035 245 T CA 1.942 64.132 62.100 0.149 0.000 1.151 245 T CB -0.588 68.404 68.868 0.206 0.000 0.862 245 T HN 0.839 nan 8.240 nan 0.000 0.438 246 E N 0.141 120.383 120.200 0.070 0.000 2.085 246 E HA -0.131 4.219 4.350 0.001 0.000 0.194 246 E C 2.205 178.797 176.600 -0.013 0.000 0.994 246 E CA 1.036 57.452 56.400 0.027 0.000 0.801 246 E CB -0.027 29.698 29.700 0.043 0.000 0.743 246 E HN 0.287 nan 8.360 nan 0.000 0.453 247 V N 0.153 120.078 119.914 0.018 0.000 2.453 247 V HA -0.125 3.996 4.120 0.001 0.000 0.247 247 V C 2.354 178.245 176.094 -0.338 0.000 1.048 247 V CA 1.639 63.913 62.300 -0.043 0.000 1.049 247 V CB -0.711 31.212 31.823 0.168 0.000 0.672 247 V HN 0.452 nan 8.190 nan 0.000 0.457 248 G N -0.154 108.389 108.800 -0.427 0.000 2.469 248 G HA2 -0.343 3.618 3.960 0.001 0.000 0.219 248 G HA3 -0.343 3.618 3.960 0.001 0.000 0.219 248 G C 1.487 176.128 174.900 -0.431 0.000 1.150 248 G CA 1.250 45.917 45.100 -0.721 0.000 0.763 248 G HN 0.518 nan 8.290 nan 0.000 0.561 249 E N 0.435 120.493 120.200 -0.237 0.000 2.051 249 E HA -0.142 4.209 4.350 0.001 0.000 0.192 249 E C 2.498 178.986 176.600 -0.185 0.000 0.991 249 E CA 1.251 57.542 56.400 -0.180 0.000 0.799 249 E CB -0.247 29.393 29.700 -0.100 0.000 0.748 249 E HN 0.289 nan 8.360 nan 0.000 0.449 250 R N -0.114 120.288 120.500 -0.163 0.000 2.105 250 R HA -0.073 4.267 4.340 0.001 0.000 0.239 250 R C 2.144 178.354 176.300 -0.150 0.000 1.135 250 R CA 1.567 57.592 56.100 -0.125 0.000 0.967 250 R CB -0.885 29.362 30.300 -0.088 0.000 0.861 250 R HN 0.184 nan 8.270 nan 0.000 0.442 251 V N -0.342 119.426 119.914 -0.243 0.000 2.295 251 V HA -0.224 3.896 4.120 0.001 0.000 0.246 251 V C 2.303 178.296 176.094 -0.168 0.000 1.049 251 V CA 1.885 64.054 62.300 -0.218 0.000 1.024 251 V CB -0.411 31.167 31.823 -0.407 0.000 0.648 251 V HN 0.200 nan 8.190 nan 0.000 0.447 252 V N -0.356 119.360 119.914 -0.330 0.000 2.427 252 V HA -0.232 3.888 4.120 0.001 0.000 0.248 252 V C 2.374 178.372 176.094 -0.160 0.000 1.051 252 V CA 1.806 63.849 62.300 -0.428 0.000 1.048 252 V CB -0.705 30.736 31.823 -0.638 0.000 0.666 252 V HN 0.538 nan 8.190 nan 0.000 0.456 253 K N -0.475 119.845 120.400 -0.135 0.000 2.211 253 K HA -0.061 4.259 4.320 0.001 0.000 0.203 253 K C 1.982 178.561 176.600 -0.035 0.000 1.050 253 K CA 0.945 57.188 56.287 -0.073 0.000 0.945 253 K CB -0.100 32.358 32.500 -0.071 0.000 0.732 253 K HN 0.344 nan 8.250 nan 0.000 0.451 254 V N 0.176 120.071 119.914 -0.031 0.000 2.500 254 V HA -0.058 4.063 4.120 0.001 0.000 0.243 254 V C 2.240 178.349 176.094 0.024 0.000 1.039 254 V CA 1.918 64.214 62.300 -0.007 0.000 1.053 254 V CB -0.085 31.732 31.823 -0.010 0.000 0.695 254 V HN 0.419 nan 8.190 nan 0.000 0.463 255 G N -0.807 108.034 108.800 0.068 0.000 2.403 255 G HA2 0.309 4.269 3.960 0.001 0.000 0.216 255 G HA3 0.309 4.269 3.960 0.001 0.000 0.216 255 G C 1.015 175.991 174.900 0.127 0.000 1.154 255 G CA 1.051 46.231 45.100 0.135 0.000 0.784 255 G HN 0.943 nan 8.290 nan 0.000 0.538 256 G N -1.018 107.863 108.800 0.135 0.000 2.562 256 G HA2 -0.178 3.782 3.960 0.001 0.000 0.250 256 G HA3 -0.178 3.782 3.960 0.001 0.000 0.250 256 G C 0.031 175.024 174.900 0.155 0.000 1.269 256 G CA -0.201 44.956 45.100 0.096 0.000 0.919 256 G HN 0.921 nan 8.290 nan 0.000 0.574 257 V N 1.737 121.697 119.914 0.077 0.000 2.493 257 V HA 0.499 4.619 4.120 0.001 0.000 0.292 257 V C 0.691 176.772 176.094 -0.022 0.000 1.016 257 V CA 1.728 64.062 62.300 0.055 0.000 1.097 257 V CB 0.616 32.450 31.823 0.019 0.000 0.947 257 V HN 0.978 nan 8.190 nan 0.000 0.479 258 K N 3.189 123.533 120.400 -0.093 0.000 2.772 258 K HA 0.305 4.625 4.320 0.001 0.000 0.292 258 K C -1.341 174.980 176.600 -0.466 0.000 1.049 258 K CA -0.901 55.186 56.287 -0.333 0.000 0.846 258 K CB 1.458 33.624 32.500 -0.556 0.000 1.514 258 K HN 0.542 nan 8.250 nan 0.000 0.373 259 Q N 1.724 121.252 119.800 -0.453 0.000 2.288 259 Q HA 0.349 4.689 4.340 0.001 0.000 0.258 259 Q C -1.774 173.892 176.000 -0.558 0.000 0.957 259 Q CA 0.317 55.881 55.803 -0.397 0.000 0.919 259 Q CB 0.506 29.087 28.738 -0.262 0.000 1.185 259 Q HN 0.363 nan 8.270 nan 0.000 0.408 260 Y N 1.436 121.533 120.300 -0.338 0.000 2.536 260 Y HA 0.644 5.194 4.550 0.001 0.000 0.347 260 Y C -0.824 174.883 175.900 -0.321 0.000 1.000 260 Y CA -1.028 56.926 58.100 -0.244 0.000 1.051 260 Y CB 2.037 40.393 38.460 -0.172 0.000 1.259 260 Y HN 0.313 nan 8.280 nan 0.000 0.468 261 V N 3.341 123.329 119.914 0.123 0.000 2.525 261 V HA 0.502 4.622 4.120 0.001 0.000 0.299 261 V C -0.692 175.551 176.094 0.249 0.000 1.034 261 V CA -0.950 61.453 62.300 0.172 0.000 0.863 261 V CB 1.579 33.521 31.823 0.198 0.000 0.999 261 V HN 0.628 nan 8.190 nan 0.000 0.423 262 M N 3.795 123.539 119.600 0.240 0.000 2.046 262 M HA 0.490 4.970 4.480 0.001 0.000 0.309 262 M C -0.545 175.909 176.300 0.257 0.000 0.935 262 M CA -0.362 55.101 55.300 0.273 0.000 0.915 262 M CB 1.668 34.361 32.600 0.156 0.000 1.474 262 M HN 0.595 nan 8.290 nan 0.000 0.415 263 E N 4.673 125.038 120.200 0.276 0.000 2.035 263 E HA 0.334 4.684 4.350 0.001 0.000 0.271 263 E C 0.194 176.935 176.600 0.236 0.000 0.953 263 E CA -0.167 56.375 56.400 0.236 0.000 0.777 263 E CB 1.382 31.227 29.700 0.240 0.000 1.104 263 E HN 0.669 nan 8.360 nan 0.000 0.408 264 L N 1.672 123.030 121.223 0.225 0.000 2.818 264 L HA 0.209 4.549 4.340 0.001 0.000 0.243 264 L C 1.293 178.233 176.870 0.117 0.000 1.185 264 L CA -0.254 54.711 54.840 0.208 0.000 0.988 264 L CB -0.223 41.971 42.059 0.225 0.000 1.292 264 L HN 0.664 nan 8.230 nan 0.000 0.519 265 G N 1.278 110.138 108.800 0.101 0.000 2.652 265 G HA2 -0.092 3.869 3.960 0.001 0.000 0.318 265 G HA3 -0.092 3.869 3.960 0.001 0.000 0.318 265 G C 0.520 175.324 174.900 -0.160 0.000 1.295 265 G CA 0.192 45.299 45.100 0.010 0.000 0.999 265 G HN 1.011 nan 8.290 nan 0.000 0.548 266 G N -2.804 105.746 108.800 -0.417 0.000 2.592 266 G HA2 0.525 4.486 3.960 0.001 0.000 0.684 266 G HA3 0.525 4.486 3.960 0.001 0.000 0.684 266 G C 0.671 175.342 174.900 -0.381 0.000 1.291 266 G CA 0.521 44.996 45.100 -1.041 0.000 0.891 266 G HN 2.382 nan 8.290 nan 0.000 0.544 267 G N -1.092 107.550 108.800 -0.263 0.000 2.509 267 G HA2 0.607 4.567 3.960 0.001 0.000 0.269 267 G HA3 0.607 4.567 3.960 0.001 0.000 0.269 267 G C -1.076 173.825 174.900 0.002 0.000 1.416 267 G CA 0.267 45.334 45.100 -0.055 0.000 1.052 267 G HN 0.744 nan 8.290 nan 0.000 0.542 268 D N 0.008 120.422 120.400 0.024 0.000 2.738 268 D HA 0.477 5.117 4.640 0.001 0.000 0.237 268 D C -2.451 173.889 176.300 0.067 0.000 1.123 268 D CA -0.838 53.193 54.000 0.052 0.000 0.856 268 D CB 2.681 43.503 40.800 0.037 0.000 1.552 268 D HN 0.095 nan 8.370 nan 0.000 0.480 269 P HA 0.566 nan 4.420 nan 0.000 0.287 269 P C -1.536 175.842 177.300 0.130 0.000 1.270 269 P CA -0.656 62.510 63.100 0.109 0.000 0.844 269 P CB 1.697 33.461 31.700 0.107 0.000 1.068 270 A N 2.930 125.848 122.820 0.163 0.000 2.356 270 A HA 0.713 5.033 4.320 0.001 0.000 0.310 270 A C -0.614 177.107 177.584 0.227 0.000 1.075 270 A CA -0.805 51.364 52.037 0.220 0.000 0.746 270 A CB 0.751 19.912 19.000 0.268 0.000 1.221 270 A HN 0.442 nan 8.150 nan 0.000 0.443 271 I N 2.196 122.910 120.570 0.241 0.000 2.433 271 I HA 0.447 4.617 4.170 0.001 0.000 0.292 271 I C -0.854 175.426 176.117 0.273 0.000 1.001 271 I CA -0.917 60.509 61.300 0.211 0.000 1.119 271 I CB 2.169 40.257 38.000 0.146 0.000 1.289 271 I HN 0.314 nan 8.210 nan 0.000 0.438 272 V N 7.105 127.149 119.914 0.217 0.000 2.350 272 V HA 0.388 4.508 4.120 0.001 0.000 0.285 272 V C 0.171 176.354 176.094 0.149 0.000 1.014 272 V CA -0.575 61.847 62.300 0.203 0.000 0.831 272 V CB 1.336 33.228 31.823 0.115 0.000 1.000 272 V HN 0.497 nan 8.190 nan 0.000 0.433 273 L N 3.680 124.988 121.223 0.142 0.000 2.439 273 L HA 0.321 4.662 4.340 0.001 0.000 0.261 273 L C 1.843 178.766 176.870 0.088 0.000 1.153 273 L CA -0.330 54.571 54.840 0.102 0.000 0.808 273 L CB 0.703 42.814 42.059 0.087 0.000 1.126 273 L HN 0.830 nan 8.230 nan 0.000 0.460 274 E N 0.360 120.603 120.200 0.071 0.000 2.331 274 E HA -0.239 4.112 4.350 0.001 0.000 0.199 274 E C 0.352 176.984 176.600 0.053 0.000 1.008 274 E CA 1.391 57.827 56.400 0.060 0.000 0.843 274 E CB -0.195 29.535 29.700 0.050 0.000 0.761 274 E HN 0.785 nan 8.360 nan 0.000 0.507 275 D N 0.926 121.359 120.400 0.056 0.000 2.363 275 D HA 0.186 4.826 4.640 0.001 0.000 0.214 275 D C 0.341 176.677 176.300 0.060 0.000 1.093 275 D CA -0.094 53.936 54.000 0.050 0.000 0.837 275 D CB 0.095 40.921 40.800 0.042 0.000 0.948 275 D HN 0.276 nan 8.370 nan 0.000 0.507 276 A N 0.620 123.487 122.820 0.078 0.000 2.425 276 A HA 0.191 4.511 4.320 0.001 0.000 0.242 276 A C 0.280 177.904 177.584 0.066 0.000 1.077 276 A CA -0.297 51.801 52.037 0.102 0.000 0.781 276 A CB 0.236 19.320 19.000 0.140 0.000 1.020 276 A HN 0.177 nan 8.150 nan 0.000 0.494 277 D N 2.197 122.642 120.400 0.075 0.000 2.352 277 D HA 0.171 4.811 4.640 0.001 0.000 0.245 277 D C 0.918 177.220 176.300 0.004 0.000 1.224 277 D CA -0.074 53.951 54.000 0.042 0.000 0.879 277 D CB 0.372 41.205 40.800 0.055 0.000 1.057 277 D HN 0.452 nan 8.370 nan 0.000 0.491 278 L N 2.804 124.016 121.223 -0.019 0.000 2.275 278 L HA -0.096 4.244 4.340 0.001 0.000 0.215 278 L C 1.621 178.439 176.870 -0.087 0.000 1.119 278 L CA 0.474 55.275 54.840 -0.065 0.000 0.790 278 L CB -0.146 41.885 42.059 -0.046 0.000 0.919 278 L HN 0.326 nan 8.230 nan 0.000 0.443 279 D N 0.535 120.904 120.400 -0.052 0.000 2.097 279 D HA -0.164 4.477 4.640 0.001 0.000 0.197 279 D C 2.119 178.379 176.300 -0.066 0.000 0.984 279 D CA 1.073 55.042 54.000 -0.051 0.000 0.826 279 D CB -0.106 40.679 40.800 -0.025 0.000 0.973 279 D HN 0.172 nan 8.370 nan 0.000 0.460 280 L N 1.253 122.450 121.223 -0.042 0.000 2.012 280 L HA -0.112 4.228 4.340 0.001 0.000 0.210 280 L C 2.171 178.955 176.870 -0.145 0.000 1.073 280 L CA 2.088 56.915 54.840 -0.022 0.000 0.748 280 L CB -0.896 41.204 42.059 0.068 0.000 0.891 280 L HN -0.027 nan 8.230 nan 0.000 0.431 281 A N -0.236 122.402 122.820 -0.303 0.000 1.865 281 A HA -0.146 4.174 4.320 0.001 0.000 0.217 281 A C 2.483 179.715 177.584 -0.587 0.000 1.191 281 A CA 2.325 53.856 52.037 -0.843 0.000 0.623 281 A CB -1.420 17.143 19.000 -0.728 0.000 0.826 281 A HN 0.641 nan 8.150 nan 0.000 0.444 282 A N -0.043 122.583 122.820 -0.323 0.000 1.883 282 A HA -0.221 4.099 4.320 0.001 0.000 0.217 282 A C 1.857 179.327 177.584 -0.190 0.000 1.186 282 A CA 2.350 54.249 52.037 -0.230 0.000 0.624 282 A CB -0.789 18.122 19.000 -0.149 0.000 0.822 282 A HN 0.607 nan 8.150 nan 0.000 0.444 283 D N -0.456 119.856 120.400 -0.146 0.000 2.092 283 D HA -0.178 4.463 4.640 0.001 0.000 0.193 283 D C 1.852 178.093 176.300 -0.099 0.000 0.994 283 D CA 1.688 55.634 54.000 -0.090 0.000 0.828 283 D CB -0.074 40.693 40.800 -0.055 0.000 0.963 283 D HN 0.201 nan 8.370 nan 0.000 0.450 284 K N 0.118 120.452 120.400 -0.110 0.000 2.097 284 K HA -0.053 4.267 4.320 0.001 0.000 0.206 284 K C 2.446 178.987 176.600 -0.099 0.000 1.049 284 K CA 0.618 56.873 56.287 -0.054 0.000 0.933 284 K CB -0.463 32.114 32.500 0.127 0.000 0.717 284 K HN 0.401 nan 8.250 nan 0.000 0.442 285 I N 0.974 121.426 120.570 -0.196 0.000 2.252 285 I HA -0.236 3.935 4.170 0.001 0.000 0.245 285 I C 2.475 178.473 176.117 -0.198 0.000 1.102 285 I CA 1.003 62.195 61.300 -0.180 0.000 1.385 285 I CB -0.425 37.430 38.000 -0.242 0.000 1.064 285 I HN 0.035 nan 8.210 nan 0.000 0.414 286 A N 0.932 123.635 122.820 -0.195 0.000 1.865 286 A HA -0.286 4.035 4.320 0.001 0.000 0.217 286 A C 2.432 179.954 177.584 -0.104 0.000 1.191 286 A CA 2.105 54.066 52.037 -0.127 0.000 0.623 286 A CB -0.742 18.234 19.000 -0.040 0.000 0.826 286 A HN 0.350 nan 8.150 nan 0.000 0.444 287 R N -0.733 119.638 120.500 -0.214 0.000 2.081 287 R HA -0.110 4.231 4.340 0.001 0.000 0.235 287 R C 2.242 178.220 176.300 -0.536 0.000 1.131 287 R CA 1.583 57.330 56.100 -0.588 0.000 0.960 287 R CB -0.712 29.372 30.300 -0.360 0.000 0.856 287 R HN 0.473 nan 8.270 nan 0.000 0.436 288 G N 0.622 109.247 108.800 -0.292 0.000 2.432 288 G HA2 -0.209 3.751 3.960 0.001 0.000 0.219 288 G HA3 -0.209 3.751 3.960 0.001 0.000 0.219 288 G C 1.395 176.170 174.900 -0.208 0.000 1.135 288 G CA 0.824 45.788 45.100 -0.228 0.000 0.767 288 G HN 0.298 nan 8.290 nan 0.000 0.550 289 I N -0.465 119.990 120.570 -0.192 0.000 2.277 289 I HA -0.049 4.121 4.170 0.001 0.000 0.243 289 I C 2.485 178.551 176.117 -0.084 0.000 1.094 289 I CA 1.165 62.391 61.300 -0.124 0.000 1.393 289 I CB -0.196 37.724 38.000 -0.133 0.000 1.078 289 I HN 0.410 nan 8.210 nan 0.000 0.417 290 Y N 0.267 120.493 120.300 -0.123 0.000 2.476 290 Y HA 0.313 4.864 4.550 0.000 0.000 0.283 290 Y C 1.354 177.199 175.900 -0.092 0.000 1.109 290 Y CA -0.853 57.182 58.100 -0.108 0.000 1.246 290 Y CB -1.112 37.291 38.460 -0.095 0.000 1.068 290 Y HN -0.168 nan 8.280 nan 0.000 0.552 291 S N 2.593 118.003 115.700 -0.484 0.000 2.810 291 S HA -0.218 4.252 4.470 0.001 0.000 0.329 291 S C -0.322 174.273 174.600 -0.009 0.000 1.231 291 S CA 0.864 58.920 58.200 -0.240 0.000 1.042 291 S CB -0.750 62.283 63.200 -0.278 0.000 0.756 291 S HN 0.625 nan 8.310 nan 0.000 0.504 292 Y N 1.369 121.620 120.300 -0.082 0.000 3.491 292 Y HA -0.374 4.176 4.550 0.001 0.000 0.215 292 Y C 0.853 176.681 175.900 -0.119 0.000 1.219 292 Y CA 1.120 59.154 58.100 -0.110 0.000 1.485 292 Y CB -2.008 36.335 38.460 -0.194 0.000 1.450 292 Y HN 1.354 nan 8.280 nan 0.000 0.603 293 A N -0.858 121.905 122.820 -0.094 0.000 2.791 293 A HA 0.111 4.431 4.320 0.001 0.000 0.292 293 A C 2.540 179.943 177.584 -0.301 0.000 1.487 293 A CA 1.752 53.678 52.037 -0.186 0.000 0.760 293 A CB -1.897 16.936 19.000 -0.277 0.000 1.031 293 A HN 2.577 nan 8.150 nan 0.000 0.503 294 G N -1.807 106.843 108.800 -0.249 0.000 2.186 294 G HA2 -0.372 3.588 3.960 0.001 0.000 0.266 294 G HA3 -0.372 3.588 3.960 0.001 0.000 0.266 294 G C 0.335 174.843 174.900 -0.653 0.000 0.982 294 G CA 1.102 46.006 45.100 -0.326 0.000 0.670 294 G HN 1.378 nan 8.290 nan 0.000 0.533 295 Q N 0.003 119.320 119.800 -0.805 0.000 2.639 295 Q HA 0.238 4.578 4.340 0.001 0.000 0.301 295 Q C 0.746 176.381 176.000 -0.609 0.000 1.029 295 Q CA 0.134 55.142 55.803 -1.325 0.000 0.936 295 Q CB 0.155 28.291 28.738 -1.002 0.000 1.354 295 Q HN 0.445 nan 8.270 nan 0.000 0.417 296 R N -0.075 120.208 120.500 -0.362 0.000 2.480 296 R HA 0.149 4.489 4.340 0.001 0.000 0.306 296 R C 1.044 177.461 176.300 0.196 0.000 0.958 296 R CA -0.326 55.828 56.100 0.091 0.000 0.861 296 R CB 1.111 31.429 30.300 0.030 0.000 1.171 296 R HN 0.463 nan 8.270 nan 0.000 0.445 297 C N 0.082 119.550 119.300 0.280 0.000 2.411 297 C HA -0.092 4.369 4.460 0.001 0.000 0.279 297 C C 1.248 176.252 174.990 0.024 0.000 1.288 297 C CA 0.953 60.081 59.018 0.184 0.000 1.764 297 C CB -0.709 27.107 27.740 0.126 0.000 1.974 297 C HN 0.791 nan 8.230 nan 0.000 0.498 298 D N 1.716 122.028 120.400 -0.146 0.000 2.370 298 D HA 0.409 5.049 4.640 0.001 0.000 0.230 298 D C 0.662 176.852 176.300 -0.184 0.000 1.143 298 D CA 0.334 54.179 54.000 -0.260 0.000 0.834 298 D CB -0.469 39.930 40.800 -0.669 0.000 0.944 298 D HN 0.741 nan 8.370 nan 0.000 0.504 299 A N 0.606 123.363 122.820 -0.105 0.000 2.386 299 A HA 0.384 4.704 4.320 0.001 0.000 0.248 299 A C 0.422 177.966 177.584 -0.066 0.000 1.082 299 A CA -0.491 51.480 52.037 -0.109 0.000 0.789 299 A CB 0.206 19.135 19.000 -0.118 0.000 1.025 299 A HN 0.317 nan 8.150 nan 0.000 0.490 300 I N 1.979 122.511 120.570 -0.063 0.000 2.416 300 I HA 0.123 4.294 4.170 0.001 0.000 0.288 300 I C 0.795 176.926 176.117 0.024 0.000 1.051 300 I CA 0.018 61.313 61.300 -0.008 0.000 1.375 300 I CB 0.895 38.890 38.000 -0.008 0.000 1.407 300 I HN 0.738 nan 8.210 nan 0.000 0.516 301 K N 5.582 126.018 120.400 0.059 0.000 2.412 301 K HA 0.323 4.643 4.320 0.001 0.000 0.202 301 K C -0.537 176.145 176.600 0.137 0.000 1.102 301 K CA -0.050 56.289 56.287 0.086 0.000 1.027 301 K CB 1.085 33.621 32.500 0.061 0.000 0.931 301 K HN 0.374 nan 8.250 nan 0.000 0.557 302 L N 0.713 122.025 121.223 0.148 0.000 2.493 302 L HA 0.379 4.719 4.340 0.001 0.000 0.265 302 L C -1.739 175.255 176.870 0.206 0.000 0.954 302 L CA -0.780 54.174 54.840 0.189 0.000 0.844 302 L CB 2.281 44.441 42.059 0.168 0.000 1.302 302 L HN -0.248 nan 8.230 nan 0.000 0.405 303 V N 5.975 126.040 119.914 0.251 0.000 2.487 303 V HA 0.577 4.697 4.120 0.001 0.000 0.298 303 V C -0.476 175.759 176.094 0.236 0.000 1.028 303 V CA -0.462 61.989 62.300 0.251 0.000 0.860 303 V CB 1.708 33.738 31.823 0.344 0.000 0.991 303 V HN 0.631 nan 8.190 nan 0.000 0.427 304 L N 4.470 125.820 121.223 0.213 0.000 2.349 304 L HA 0.910 5.250 4.340 0.001 0.000 0.278 304 L C -0.045 176.948 176.870 0.206 0.000 0.996 304 L CA -0.454 54.506 54.840 0.200 0.000 0.825 304 L CB 1.863 44.020 42.059 0.163 0.000 1.243 304 L HN 0.737 nan 8.230 nan 0.000 0.412 305 A N 2.792 125.765 122.820 0.256 0.000 2.374 305 A HA 0.587 4.908 4.320 0.001 0.000 0.305 305 A C -0.617 177.093 177.584 0.211 0.000 1.053 305 A CA -0.639 51.544 52.037 0.243 0.000 0.726 305 A CB 1.046 20.206 19.000 0.266 0.000 1.229 305 A HN 0.708 nan 8.150 nan 0.000 0.431 306 E N 1.931 122.217 120.200 0.143 0.000 2.414 306 E HA 0.041 4.392 4.350 0.001 0.000 0.263 306 E C 0.556 177.222 176.600 0.111 0.000 1.000 306 E CA -0.510 55.950 56.400 0.099 0.000 0.914 306 E CB 0.724 30.471 29.700 0.078 0.000 0.948 306 E HN 0.567 nan 8.360 nan 0.000 0.444 307 R N 2.976 123.513 120.500 0.062 0.000 2.259 307 R HA -0.227 4.113 4.340 0.001 0.000 0.247 307 R C -0.576 175.780 176.300 0.093 0.000 1.114 307 R CA 2.027 58.159 56.100 0.054 0.000 0.926 307 R CB -2.263 28.048 30.300 0.017 0.000 0.937 307 R HN 0.586 nan 8.270 nan 0.000 0.434 308 P HA -0.070 nan 4.420 nan 0.000 0.223 308 P C 1.289 178.633 177.300 0.073 0.000 1.144 308 P CA 1.665 64.804 63.100 0.065 0.000 0.783 308 P CB -0.016 31.712 31.700 0.048 0.000 0.771 309 V N -6.809 113.162 119.914 0.095 0.000 3.451 309 V HA 0.156 4.277 4.120 0.001 0.000 0.288 309 V C 2.316 178.460 176.094 0.083 0.000 1.502 309 V CA -0.355 61.988 62.300 0.071 0.000 1.026 309 V CB -1.207 30.648 31.823 0.053 0.000 0.840 309 V HN -0.161 nan 8.190 nan 0.000 0.437 310 Y N 3.345 123.658 120.300 0.022 0.000 2.069 310 Y HA -0.086 4.464 4.550 0.000 0.000 0.278 310 Y C 2.355 178.269 175.900 0.024 0.000 1.175 310 Y CA 2.646 60.761 58.100 0.025 0.000 1.134 310 Y CB -0.802 37.669 38.460 0.017 0.000 0.965 310 Y HN 0.288 nan 8.280 nan 0.000 0.498 311 G N 0.665 109.519 108.800 0.089 0.000 2.545 311 G HA2 -0.307 3.654 3.960 0.001 0.000 0.217 311 G HA3 -0.307 3.654 3.960 0.001 0.000 0.217 311 G C 1.684 176.539 174.900 -0.076 0.000 1.218 311 G CA 1.403 46.506 45.100 0.006 0.000 0.787 311 G HN 0.275 nan 8.290 nan 0.000 0.571 312 K N 0.435 120.814 120.400 -0.037 0.000 2.032 312 K HA -0.002 4.318 4.320 0.001 0.000 0.209 312 K C 2.365 178.921 176.600 -0.073 0.000 1.048 312 K CA 0.585 56.847 56.287 -0.042 0.000 0.927 312 K CB -1.202 31.285 32.500 -0.021 0.000 0.712 312 K HN 0.304 nan 8.250 nan 0.000 0.441 313 L N 1.419 122.585 121.223 -0.095 0.000 1.971 313 L HA -0.179 4.161 4.340 0.001 0.000 0.215 313 L C 2.199 179.003 176.870 -0.110 0.000 1.072 313 L CA 1.768 56.541 54.840 -0.111 0.000 0.758 313 L CB -0.777 41.218 42.059 -0.107 0.000 0.889 313 L HN -0.077 nan 8.230 nan 0.000 0.433 314 V N 0.213 120.003 119.914 -0.205 0.000 2.490 314 V HA -0.265 3.856 4.120 0.001 0.000 0.250 314 V C 2.618 178.718 176.094 0.010 0.000 1.061 314 V CA 1.786 64.028 62.300 -0.097 0.000 1.064 314 V CB -0.520 31.006 31.823 -0.494 0.000 0.670 314 V HN 0.534 nan 8.190 nan 0.000 0.461 315 E N 0.048 120.214 120.200 -0.056 0.000 2.017 315 E HA -0.233 4.117 4.350 0.001 0.000 0.193 315 E C 2.295 178.888 176.600 -0.011 0.000 0.997 315 E CA 1.345 57.733 56.400 -0.020 0.000 0.804 315 E CB -0.045 29.637 29.700 -0.031 0.000 0.757 315 E HN 0.518 nan 8.360 nan 0.000 0.448 316 E N 0.242 120.421 120.200 -0.034 0.000 2.085 316 E HA -0.173 4.177 4.350 0.001 0.000 0.194 316 E C 2.275 178.839 176.600 -0.060 0.000 0.994 316 E CA 1.058 57.430 56.400 -0.046 0.000 0.801 316 E CB -0.301 29.362 29.700 -0.062 0.000 0.743 316 E HN 0.219 nan 8.360 nan 0.000 0.453 317 V N 1.460 121.329 119.914 -0.074 0.000 2.427 317 V HA -0.229 3.891 4.120 0.001 0.000 0.248 317 V C 2.429 178.446 176.094 -0.129 0.000 1.051 317 V CA 1.640 63.840 62.300 -0.166 0.000 1.048 317 V CB -0.850 30.777 31.823 -0.326 0.000 0.666 317 V HN 0.241 nan 8.190 nan 0.000 0.456 318 A N 0.491 123.324 122.820 0.022 0.000 1.877 318 A HA -0.222 4.098 4.320 0.001 0.000 0.216 318 A C 2.502 180.090 177.584 0.006 0.000 1.186 318 A CA 2.779 54.864 52.037 0.080 0.000 0.620 318 A CB -0.820 18.258 19.000 0.131 0.000 0.822 318 A HN 0.511 nan 8.150 nan 0.000 0.443 319 K N 0.079 120.473 120.400 -0.009 0.000 2.009 319 K HA -0.193 4.127 4.320 0.001 0.000 0.210 319 K C 2.186 178.760 176.600 -0.043 0.000 1.049 319 K CA 1.861 58.134 56.287 -0.023 0.000 0.929 319 K CB -0.806 31.680 32.500 -0.024 0.000 0.714 319 K HN 0.643 nan 8.250 nan 0.000 0.440 320 R N -0.090 120.377 120.500 -0.055 0.000 2.083 320 R HA 0.001 4.341 4.340 0.001 0.000 0.237 320 R C 2.604 178.847 176.300 -0.094 0.000 1.137 320 R CA 1.691 57.753 56.100 -0.064 0.000 0.951 320 R CB -0.658 29.611 30.300 -0.052 0.000 0.851 320 R HN 0.423 nan 8.270 nan 0.000 0.434 321 L N -0.083 121.081 121.223 -0.097 0.000 2.093 321 L HA -0.143 4.198 4.340 0.001 0.000 0.208 321 L C 2.391 179.196 176.870 -0.109 0.000 1.085 321 L CA 1.040 55.810 54.840 -0.117 0.000 0.755 321 L CB -0.339 41.664 42.059 -0.094 0.000 0.904 321 L HN 0.139 nan 8.230 nan 0.000 0.435 322 S N -0.210 115.450 115.700 -0.066 0.000 2.383 322 S HA -0.125 4.345 4.470 0.001 0.000 0.227 322 S C 1.845 176.403 174.600 -0.070 0.000 1.026 322 S CA 1.431 59.600 58.200 -0.051 0.000 0.981 322 S CB -0.190 62.995 63.200 -0.025 0.000 0.818 322 S HN 0.582 nan 8.310 nan 0.000 0.472 323 S N 0.919 116.571 115.700 -0.080 0.000 2.851 323 S HA 0.217 4.687 4.470 0.001 0.000 0.227 323 S C 0.077 174.608 174.600 -0.116 0.000 0.958 323 S CA -0.281 57.870 58.200 -0.081 0.000 0.990 323 S CB -0.444 62.718 63.200 -0.065 0.000 0.790 323 S HN 0.049 nan 8.310 nan 0.000 0.509 324 L N 2.509 123.637 121.223 -0.159 0.000 2.334 324 L HA 0.472 4.813 4.340 0.001 0.000 0.277 324 L C 0.518 177.301 176.870 -0.146 0.000 1.075 324 L CA -0.282 54.425 54.840 -0.223 0.000 0.804 324 L CB 0.980 42.816 42.059 -0.372 0.000 1.174 324 L HN 0.208 nan 8.230 nan 0.000 0.438 325 R N 2.812 123.236 120.500 -0.127 0.000 2.207 325 R HA 0.495 4.835 4.340 0.001 0.000 0.334 325 R C -0.733 175.536 176.300 -0.052 0.000 1.013 325 R CA -0.558 55.498 56.100 -0.072 0.000 0.858 325 R CB 1.046 31.316 30.300 -0.051 0.000 1.094 325 R HN 0.324 nan 8.270 nan 0.000 0.457 326 V N 1.323 121.222 119.914 -0.025 0.000 3.234 326 V HA 0.781 4.902 4.120 0.001 0.000 0.317 326 V C 1.074 177.203 176.094 0.058 0.000 1.081 326 V CA 0.096 62.414 62.300 0.030 0.000 1.037 326 V CB 1.609 33.462 31.823 0.049 0.000 1.148 326 V HN 1.057 nan 8.190 nan 0.000 0.453 327 G N 0.194 109.096 108.800 0.171 0.000 2.247 327 G HA2 0.317 4.277 3.960 0.001 0.000 0.229 327 G HA3 0.317 4.277 3.960 0.001 0.000 0.229 327 G C -0.589 174.503 174.900 0.320 0.000 1.345 327 G CA -0.087 45.081 45.100 0.112 0.000 1.100 327 G HN 0.954 nan 8.290 nan 0.000 0.473 328 D N 1.757 122.247 120.400 0.149 0.000 2.308 328 D HA 0.654 5.295 4.640 0.001 0.000 0.251 328 D C -0.405 175.969 176.300 0.123 0.000 1.127 328 D CA -0.597 53.510 54.000 0.179 0.000 0.876 328 D CB 0.888 41.737 40.800 0.083 0.000 1.176 328 D HN 0.381 nan 8.370 nan 0.000 0.446 329 P HA -0.129 nan 4.420 nan 0.000 0.226 329 P C 1.133 178.465 177.300 0.053 0.000 1.153 329 P CA 0.429 63.576 63.100 0.079 0.000 0.777 329 P CB 0.335 32.081 31.700 0.077 0.000 0.794 330 R N -0.010 120.519 120.500 0.050 0.000 2.120 330 R HA -0.045 4.295 4.340 0.001 0.000 0.234 330 R C 0.204 176.520 176.300 0.026 0.000 1.123 330 R CA 0.729 56.849 56.100 0.033 0.000 0.975 330 R CB -0.634 29.684 30.300 0.030 0.000 0.866 330 R HN 0.248 nan 8.270 nan 0.000 0.446 331 D N 1.749 122.166 120.400 0.027 0.000 2.382 331 D HA 0.006 4.646 4.640 0.001 0.000 0.259 331 D C -1.572 174.740 176.300 0.019 0.000 1.224 331 D CA -1.280 52.731 54.000 0.018 0.000 0.894 331 D CB 1.039 41.848 40.800 0.015 0.000 1.127 331 D HN 0.079 nan 8.370 nan 0.000 0.487 332 P HA -0.083 nan 4.420 nan 0.000 0.242 332 P C 0.639 177.945 177.300 0.011 0.000 1.197 332 P CA 0.617 63.726 63.100 0.014 0.000 0.765 332 P CB 0.202 31.909 31.700 0.011 0.000 0.936 333 T N -2.413 112.145 114.554 0.007 0.000 2.894 333 T HA 0.031 4.382 4.350 0.001 0.000 0.258 333 T C 1.143 175.841 174.700 -0.002 0.000 1.043 333 T CA 0.042 62.142 62.100 0.000 0.000 1.141 333 T CB -0.972 67.894 68.868 -0.004 0.000 0.873 333 T HN -0.142 nan 8.240 nan 0.000 0.449 334 V N 3.483 123.401 119.914 0.007 0.000 2.694 334 V HA 0.010 4.130 4.120 0.001 0.000 0.306 334 V C 0.972 177.072 176.094 0.010 0.000 1.054 334 V CA 0.407 62.714 62.300 0.011 0.000 1.161 334 V CB 0.690 32.535 31.823 0.038 0.000 0.916 334 V HN 0.429 nan 8.190 nan 0.000 0.490 335 D N 2.248 122.637 120.400 -0.019 0.000 2.324 335 D HA 0.117 4.758 4.640 0.001 0.000 0.212 335 D C 0.016 176.326 176.300 0.018 0.000 0.984 335 D CA 0.854 54.837 54.000 -0.028 0.000 0.885 335 D CB 1.084 41.777 40.800 -0.179 0.000 0.996 335 D HN 0.363 nan 8.370 nan 0.000 0.505 336 V N 0.914 120.829 119.914 0.002 0.000 2.525 336 V HA 0.528 4.649 4.120 0.001 0.000 0.299 336 V C 0.679 176.808 176.094 0.060 0.000 1.034 336 V CA -0.864 61.459 62.300 0.038 0.000 0.863 336 V CB 1.726 33.542 31.823 -0.012 0.000 0.999 336 V HN 0.043 nan 8.190 nan 0.000 0.423 337 G N 5.421 114.256 108.800 0.059 0.000 2.531 337 G HA2 0.632 4.592 3.960 0.001 0.000 0.253 337 G HA3 0.632 4.592 3.960 0.001 0.000 0.253 337 G C -2.568 172.244 174.900 -0.147 0.000 1.439 337 G CA -1.041 44.081 45.100 0.037 0.000 1.056 337 G HN 0.562 nan 8.290 nan 0.000 0.555 338 P HA 0.418 nan 4.420 nan 0.000 0.281 338 P C -1.026 176.044 177.300 -0.383 0.000 1.281 338 P CA -0.582 62.097 63.100 -0.702 0.000 0.811 338 P CB 1.558 32.630 31.700 -1.047 0.000 1.154 339 L N 1.062 122.070 121.223 -0.359 0.000 2.357 339 L HA 0.197 4.537 4.340 0.001 0.000 0.273 339 L C 2.015 178.738 176.870 -0.244 0.000 1.080 339 L CA -0.244 54.434 54.840 -0.269 0.000 0.803 339 L CB -0.036 41.901 42.059 -0.202 0.000 1.174 339 L HN 0.258 nan 8.230 nan 0.000 0.443 340 I N 0.759 121.178 120.570 -0.253 0.000 2.479 340 I HA -0.194 3.976 4.170 0.001 0.000 0.258 340 I C 0.732 176.685 176.117 -0.273 0.000 1.165 340 I CA 1.154 62.255 61.300 -0.332 0.000 1.422 340 I CB -0.182 37.306 38.000 -0.853 0.000 1.087 340 I HN 0.716 nan 8.210 nan 0.000 0.441 341 S N -2.502 113.068 115.700 -0.217 0.000 2.552 341 S HA 0.432 4.903 4.470 0.001 0.000 0.272 341 S C -2.224 172.317 174.600 -0.099 0.000 1.150 341 S CA -0.805 57.307 58.200 -0.147 0.000 0.849 341 S CB 1.480 64.591 63.200 -0.149 0.000 1.113 341 S HN -0.150 nan 8.310 nan 0.000 0.458 342 P HA -0.049 nan 4.420 nan 0.000 0.218 342 P C 1.476 178.760 177.300 -0.028 0.000 1.148 342 P CA 1.252 64.331 63.100 -0.034 0.000 0.822 342 P CB -0.159 31.532 31.700 -0.015 0.000 0.784 343 S N 0.147 115.828 115.700 -0.032 0.000 2.370 343 S HA -0.146 4.325 4.470 0.001 0.000 0.226 343 S C 2.163 176.757 174.600 -0.010 0.000 1.033 343 S CA 1.499 59.689 58.200 -0.017 0.000 1.011 343 S CB -0.958 62.230 63.200 -0.019 0.000 0.852 343 S HN 0.205 nan 8.310 nan 0.000 0.457 344 A N 0.631 123.435 122.820 -0.026 0.000 1.972 344 A HA -0.052 4.268 4.320 0.001 0.000 0.219 344 A C 2.258 179.840 177.584 -0.004 0.000 1.169 344 A CA 1.480 53.515 52.037 -0.003 0.000 0.635 344 A CB -0.649 18.337 19.000 -0.023 0.000 0.810 344 A HN 0.382 nan 8.150 nan 0.000 0.446 345 V N 0.310 120.211 119.914 -0.021 0.000 2.407 345 V HA -0.178 3.942 4.120 0.001 0.000 0.245 345 V C 2.120 178.217 176.094 0.006 0.000 1.041 345 V CA 1.939 64.232 62.300 -0.012 0.000 1.040 345 V CB -0.775 31.039 31.823 -0.015 0.000 0.671 345 V HN 0.467 nan 8.190 nan 0.000 0.455 346 D N 0.425 120.829 120.400 0.007 0.000 2.106 346 D HA -0.215 4.425 4.640 0.001 0.000 0.191 346 D C 2.176 178.490 176.300 0.022 0.000 0.997 346 D CA 1.688 55.696 54.000 0.014 0.000 0.834 346 D CB -0.245 40.562 40.800 0.012 0.000 0.956 346 D HN 0.551 nan 8.370 nan 0.000 0.448 347 E N 0.025 120.242 120.200 0.027 0.000 2.085 347 E HA -0.172 4.178 4.350 0.001 0.000 0.194 347 E C 2.122 178.748 176.600 0.044 0.000 0.994 347 E CA 0.629 57.053 56.400 0.040 0.000 0.801 347 E CB -0.165 29.565 29.700 0.051 0.000 0.743 347 E HN 0.280 nan 8.360 nan 0.000 0.453 348 M N 0.167 119.791 119.600 0.039 0.000 2.117 348 M HA -0.194 4.287 4.480 0.001 0.000 0.262 348 M C 1.885 178.207 176.300 0.037 0.000 1.065 348 M CA 1.300 56.623 55.300 0.039 0.000 1.114 348 M CB 0.084 32.699 32.600 0.024 0.000 1.361 348 M HN 0.094 nan 8.290 nan 0.000 0.408 349 M N 0.565 120.183 119.600 0.030 0.000 2.086 349 M HA -0.087 4.393 4.480 0.001 0.000 0.261 349 M C 2.508 178.826 176.300 0.031 0.000 1.067 349 M CA 1.924 57.241 55.300 0.028 0.000 1.116 349 M CB -2.008 30.606 32.600 0.023 0.000 1.348 349 M HN 0.471 nan 8.290 nan 0.000 0.407 350 A N 0.189 123.028 122.820 0.032 0.000 1.908 350 A HA -0.023 4.297 4.320 0.001 0.000 0.218 350 A C 2.438 180.045 177.584 0.040 0.000 1.181 350 A CA 2.298 54.355 52.037 0.033 0.000 0.627 350 A CB -1.001 18.019 19.000 0.033 0.000 0.818 350 A HN 0.492 nan 8.150 nan 0.000 0.445 351 A N -0.267 122.581 122.820 0.047 0.000 1.972 351 A HA -0.036 4.284 4.320 0.001 0.000 0.219 351 A C 2.075 179.692 177.584 0.054 0.000 1.169 351 A CA 1.455 53.527 52.037 0.057 0.000 0.635 351 A CB -0.541 18.501 19.000 0.069 0.000 0.810 351 A HN 0.522 nan 8.150 nan 0.000 0.446 352 I N -1.051 119.548 120.570 0.047 0.000 2.353 352 I HA -0.176 3.994 4.170 0.001 0.000 0.248 352 I C 2.491 178.629 176.117 0.035 0.000 1.119 352 I CA 1.439 62.765 61.300 0.044 0.000 1.417 352 I CB -0.329 37.695 38.000 0.041 0.000 1.078 352 I HN 0.496 nan 8.210 nan 0.000 0.421 353 E N 1.239 121.458 120.200 0.031 0.000 2.047 353 E HA -0.293 4.058 4.350 0.001 0.000 0.191 353 E C 1.953 178.568 176.600 0.026 0.000 0.987 353 E CA 1.446 57.861 56.400 0.025 0.000 0.799 353 E CB -0.034 29.679 29.700 0.023 0.000 0.752 353 E HN 0.377 nan 8.360 nan 0.000 0.449 354 D N 0.122 120.540 120.400 0.031 0.000 2.116 354 D HA -0.230 4.410 4.640 0.001 0.000 0.193 354 D C 1.843 178.161 176.300 0.030 0.000 0.998 354 D CA 1.617 55.636 54.000 0.032 0.000 0.836 354 D CB -0.042 40.783 40.800 0.042 0.000 0.951 354 D HN 0.251 nan 8.370 nan 0.000 0.449 355 A N 0.566 123.408 122.820 0.036 0.000 1.883 355 A HA -0.134 4.186 4.320 0.001 0.000 0.217 355 A C 2.716 180.310 177.584 0.018 0.000 1.186 355 A CA 1.827 53.883 52.037 0.032 0.000 0.624 355 A CB -0.905 18.119 19.000 0.040 0.000 0.822 355 A HN 0.250 nan 8.150 nan 0.000 0.444 356 V N -0.017 119.907 119.914 0.017 0.000 2.343 356 V HA -0.274 3.846 4.120 0.001 0.000 0.247 356 V C 2.386 178.484 176.094 0.007 0.000 1.051 356 V CA 2.320 64.626 62.300 0.010 0.000 1.036 356 V CB -0.880 30.951 31.823 0.012 0.000 0.654 356 V HN 0.643 nan 8.190 nan 0.000 0.451 357 E N -0.107 120.099 120.200 0.010 0.000 2.153 357 E HA -0.191 4.160 4.350 0.001 0.000 0.194 357 E C 1.741 178.343 176.600 0.003 0.000 0.988 357 E CA 0.914 57.319 56.400 0.007 0.000 0.811 357 E CB -0.072 29.634 29.700 0.011 0.000 0.746 357 E HN 0.550 nan 8.360 nan 0.000 0.466 358 K N -0.704 119.698 120.400 0.004 0.000 2.469 358 K HA 0.126 4.447 4.320 0.001 0.000 0.201 358 K C 0.558 177.152 176.600 -0.010 0.000 1.028 358 K CA 0.411 56.696 56.287 -0.003 0.000 1.170 358 K CB 0.952 33.451 32.500 -0.001 0.000 0.874 358 K HN 0.218 nan 8.250 nan 0.000 0.507 359 G N 0.585 109.380 108.800 -0.009 0.000 2.179 359 G HA2 -0.198 3.762 3.960 0.001 0.000 0.220 359 G HA3 -0.198 3.762 3.960 0.001 0.000 0.220 359 G C 0.322 175.213 174.900 -0.015 0.000 0.990 359 G CA -0.422 44.670 45.100 -0.014 0.000 0.646 359 G HN 0.465 nan 8.290 nan 0.000 0.517 360 G N -0.427 108.368 108.800 -0.009 0.000 2.444 360 G HA2 0.588 4.548 3.960 0.001 0.000 0.268 360 G HA3 0.588 4.548 3.960 0.001 0.000 0.268 360 G C -0.163 174.732 174.900 -0.009 0.000 1.203 360 G CA -0.069 45.025 45.100 -0.010 0.000 0.835 360 G HN 0.586 nan 8.290 nan 0.000 0.543 361 R N 1.698 122.188 120.500 -0.017 0.000 2.476 361 R HA 0.415 4.756 4.340 0.001 0.000 0.305 361 R C -0.794 175.493 176.300 -0.021 0.000 0.965 361 R CA -0.627 55.464 56.100 -0.014 0.000 0.867 361 R CB 1.702 31.995 30.300 -0.012 0.000 1.176 361 R HN 0.350 nan 8.270 nan 0.000 0.447 362 V N 6.795 126.707 119.914 -0.003 0.000 2.540 362 V HA -0.005 4.115 4.120 0.001 0.000 0.297 362 V C 1.144 177.244 176.094 0.009 0.000 1.024 362 V CA 0.493 62.799 62.300 0.009 0.000 1.105 362 V CB 0.986 32.824 31.823 0.024 0.000 0.938 362 V HN 0.822 nan 8.190 nan 0.000 0.482 363 L N 3.975 125.209 121.223 0.017 0.000 2.638 363 L HA 0.582 4.922 4.340 0.001 0.000 0.232 363 L C 0.670 177.596 176.870 0.094 0.000 1.099 363 L CA 0.512 55.375 54.840 0.037 0.000 0.883 363 L CB 0.315 42.373 42.059 -0.002 0.000 1.136 363 L HN 0.783 nan 8.230 nan 0.000 0.492 364 A N -0.864 122.023 122.820 0.113 0.000 2.583 364 A HA 0.584 4.904 4.320 0.001 0.000 0.298 364 A C 0.038 177.671 177.584 0.081 0.000 1.055 364 A CA 0.008 52.104 52.037 0.097 0.000 0.714 364 A CB 0.416 19.491 19.000 0.125 0.000 1.277 364 A HN 0.261 nan 8.150 nan 0.000 0.406 365 G N 0.657 109.483 108.800 0.045 0.000 2.562 365 G HA2 0.424 4.384 3.960 0.001 0.000 0.250 365 G HA3 0.424 4.384 3.960 0.001 0.000 0.250 365 G C 1.316 176.236 174.900 0.035 0.000 1.269 365 G CA 1.834 46.954 45.100 0.034 0.000 0.919 365 G HN 2.987 nan 8.290 nan 0.000 0.574 366 G N -2.183 106.638 108.800 0.034 0.000 2.238 366 G HA2 -0.136 3.824 3.960 0.001 0.000 0.217 366 G HA3 -0.136 3.824 3.960 0.001 0.000 0.217 366 G C 0.411 175.325 174.900 0.024 0.000 0.996 366 G CA 1.141 46.260 45.100 0.031 0.000 0.632 366 G HN 1.139 nan 8.290 nan 0.000 0.503 367 R N 0.972 121.485 120.500 0.020 0.000 2.221 367 R HA 0.538 4.879 4.340 0.001 0.000 0.327 367 R C 0.622 176.936 176.300 0.023 0.000 1.033 367 R CA -0.576 55.535 56.100 0.018 0.000 0.887 367 R CB 0.907 31.214 30.300 0.012 0.000 1.057 367 R HN 0.339 nan 8.270 nan 0.000 0.455 368 R N 3.512 124.027 120.500 0.025 0.000 2.438 368 R HA 0.099 4.439 4.340 0.001 0.000 0.287 368 R C 0.069 176.392 176.300 0.038 0.000 1.077 368 R CA -0.082 56.039 56.100 0.035 0.000 1.034 368 R CB 0.525 30.843 30.300 0.030 0.000 0.993 368 R HN 0.652 nan 8.270 nan 0.000 0.459 369 L N 3.465 124.726 121.223 0.063 0.000 2.766 369 L HA 0.428 4.769 4.340 0.001 0.000 0.242 369 L C 0.730 177.624 176.870 0.039 0.000 1.136 369 L CA 0.118 54.984 54.840 0.042 0.000 0.933 369 L CB 0.894 42.978 42.059 0.041 0.000 1.241 369 L HN 0.961 nan 8.230 nan 0.000 0.522 370 G N -1.158 107.696 108.800 0.090 0.000 2.320 370 G HA2 0.130 4.090 3.960 0.001 0.000 0.297 370 G HA3 0.130 4.090 3.960 0.001 0.000 0.297 370 G C -2.707 172.268 174.900 0.126 0.000 1.344 370 G CA -0.602 44.556 45.100 0.096 0.000 0.851 370 G HN -0.334 nan 8.290 nan 0.000 0.567 371 P HA -0.062 nan 4.420 nan 0.000 0.216 371 P C 1.683 179.018 177.300 0.059 0.000 1.153 371 P CA 2.984 66.127 63.100 0.072 0.000 0.858 371 P CB 0.134 31.870 31.700 0.061 0.000 0.789 372 T N -6.887 107.727 114.554 0.101 0.000 3.182 372 T HA 0.222 4.573 4.350 0.001 0.000 0.277 372 T C -0.210 174.342 174.700 -0.246 0.000 1.013 372 T CA -0.394 61.654 62.100 -0.086 0.000 0.900 372 T CB -0.583 68.168 68.868 -0.196 0.000 1.098 372 T HN -0.135 nan 8.240 nan 0.000 0.543 373 Y N 0.734 121.018 120.300 -0.027 0.000 2.429 373 Y HA 0.740 5.290 4.550 0.000 0.000 0.342 373 Y C -0.177 175.708 175.900 -0.026 0.000 1.004 373 Y CA -1.302 56.782 58.100 -0.028 0.000 1.075 373 Y CB 2.166 40.612 38.460 -0.023 0.000 1.214 373 Y HN 0.046 nan 8.280 nan 0.000 0.455 374 V N 0.728 120.698 119.914 0.094 0.000 3.216 374 V HA 0.398 4.518 4.120 0.001 0.000 0.302 374 V C -1.129 174.984 176.094 0.032 0.000 1.286 374 V CA -1.605 60.724 62.300 0.049 0.000 1.048 374 V CB 2.052 33.882 31.823 0.011 0.000 1.081 374 V HN 0.647 nan 8.190 nan 0.000 0.442 375 Q N 1.169 120.982 119.800 0.021 0.000 2.235 375 Q HA 0.420 4.760 4.340 0.001 0.000 0.250 375 Q C -2.651 173.351 176.000 0.003 0.000 0.909 375 Q CA -1.852 53.955 55.803 0.005 0.000 0.910 375 Q CB 1.444 30.185 28.738 0.005 0.000 1.223 375 Q HN 0.423 nan 8.270 nan 0.000 0.432 376 P HA -0.032 nan 4.420 nan 0.000 0.261 376 P C -1.081 176.237 177.300 0.030 0.000 1.203 376 P CA 0.535 63.638 63.100 0.004 0.000 0.767 376 P CB 0.421 32.111 31.700 -0.016 0.000 0.785 377 T N 4.239 118.829 114.554 0.060 0.000 2.829 377 T HA 0.463 4.814 4.350 0.001 0.000 0.282 377 T C -0.687 174.142 174.700 0.215 0.000 0.990 377 T CA -0.137 62.028 62.100 0.108 0.000 1.028 377 T CB 0.445 69.364 68.868 0.085 0.000 0.951 377 T HN 0.070 nan 8.240 nan 0.000 0.460 378 F N 3.599 123.558 119.950 0.015 0.000 2.434 378 F HA 0.536 5.063 4.527 0.001 0.000 0.355 378 F C -0.949 174.868 175.800 0.028 0.000 1.115 378 F CA -1.742 56.270 58.000 0.020 0.000 1.010 378 F CB 0.809 39.813 39.000 0.007 0.000 1.234 378 F HN 0.253 nan 8.300 nan 0.000 0.439 379 V N 5.808 125.714 119.914 -0.013 0.000 2.350 379 V HA 0.267 4.387 4.120 0.001 0.000 0.276 379 V C 0.142 176.115 176.094 -0.202 0.000 1.028 379 V CA -0.871 61.378 62.300 -0.086 0.000 0.860 379 V CB 1.344 33.170 31.823 0.005 0.000 0.990 379 V HN 0.692 nan 8.190 nan 0.000 0.453 380 E N 3.522 123.603 120.200 -0.197 0.000 2.366 380 E HA 0.628 4.978 4.350 0.001 0.000 0.266 380 E C -0.325 176.238 176.600 -0.062 0.000 1.051 380 E CA -0.250 56.063 56.400 -0.145 0.000 0.884 380 E CB 1.195 30.848 29.700 -0.078 0.000 1.006 380 E HN 0.877 nan 8.360 nan 0.000 0.417 381 A N 4.939 127.736 122.820 -0.039 0.000 2.520 381 A HA 0.497 4.817 4.320 0.001 0.000 0.298 381 A C -2.701 174.849 177.584 -0.055 0.000 1.051 381 A CA -1.447 50.569 52.037 -0.036 0.000 0.690 381 A CB 1.702 20.691 19.000 -0.019 0.000 1.281 381 A HN 0.540 nan 8.150 nan 0.000 0.402 382 P HA 0.308 nan 4.420 nan 0.000 0.280 382 P C 0.911 178.158 177.300 -0.089 0.000 1.244 382 P CA 0.367 63.417 63.100 -0.084 0.000 0.784 382 P CB 1.588 33.246 31.700 -0.070 0.000 0.913 383 A N 4.304 127.065 122.820 -0.098 0.000 1.958 383 A HA -0.233 4.087 4.320 0.001 0.000 0.221 383 A C 1.605 179.126 177.584 -0.106 0.000 1.178 383 A CA 2.165 54.143 52.037 -0.097 0.000 0.642 383 A CB -1.265 17.686 19.000 -0.082 0.000 0.816 383 A HN 0.678 nan 8.150 nan 0.000 0.453 384 D N -1.345 119.003 120.400 -0.087 0.000 2.378 384 D HA -0.106 4.534 4.640 0.001 0.000 0.227 384 D C 1.517 177.768 176.300 -0.083 0.000 1.012 384 D CA 0.732 54.685 54.000 -0.078 0.000 0.905 384 D CB -0.222 40.543 40.800 -0.059 0.000 0.895 384 D HN 0.601 nan 8.370 nan 0.000 0.532 385 R N -0.247 120.197 120.500 -0.093 0.000 2.507 385 R HA 0.117 4.457 4.340 0.001 0.000 0.230 385 R C 2.171 178.404 176.300 -0.112 0.000 0.897 385 R CA -0.043 56.006 56.100 -0.084 0.000 1.006 385 R CB 0.088 30.354 30.300 -0.056 0.000 1.341 385 R HN -0.013 nan 8.270 nan 0.000 0.604 386 V N 2.483 122.308 119.914 -0.148 0.000 2.324 386 V HA -0.294 3.827 4.120 0.001 0.000 0.250 386 V C 1.884 177.759 176.094 -0.365 0.000 1.060 386 V CA 1.967 64.154 62.300 -0.188 0.000 1.042 386 V CB -0.231 31.481 31.823 -0.185 0.000 0.650 386 V HN 0.232 nan 8.190 nan 0.000 0.450 387 K N -0.672 119.398 120.400 -0.550 0.000 2.218 387 K HA -0.240 4.081 4.320 0.001 0.000 0.205 387 K C 1.645 178.134 176.600 -0.184 0.000 1.046 387 K CA 1.808 57.703 56.287 -0.653 0.000 0.933 387 K CB -0.239 32.021 32.500 -0.400 0.000 0.728 387 K HN 0.571 nan 8.250 nan 0.000 0.454 388 D N -0.292 120.049 120.400 -0.099 0.000 2.349 388 D HA 0.055 4.695 4.640 0.001 0.000 0.214 388 D C 0.001 176.323 176.300 0.037 0.000 1.063 388 D CA 0.032 54.028 54.000 -0.007 0.000 0.847 388 D CB 0.287 41.078 40.800 -0.016 0.000 0.933 388 D HN -0.004 nan 8.370 nan 0.000 0.513 389 M N 0.157 119.783 119.600 0.044 0.000 2.228 389 M HA 0.030 4.511 4.480 0.001 0.000 0.351 389 M C 1.431 177.815 176.300 0.139 0.000 1.233 389 M CA -0.425 54.924 55.300 0.083 0.000 1.129 389 M CB 1.954 34.600 32.600 0.078 0.000 1.604 389 M HN -0.219 nan 8.290 nan 0.000 0.457 390 V N 4.052 124.031 119.914 0.109 0.000 2.380 390 V HA -0.289 3.831 4.120 0.001 0.000 0.251 390 V C 1.943 178.123 176.094 0.142 0.000 1.063 390 V CA 1.871 64.240 62.300 0.116 0.000 1.055 390 V CB -0.588 31.288 31.823 0.088 0.000 0.657 390 V HN 0.798 nan 8.190 nan 0.000 0.455 391 L N -1.746 119.562 121.223 0.143 0.000 2.265 391 L HA -0.197 4.143 4.340 0.001 0.000 0.215 391 L C 2.266 179.251 176.870 0.191 0.000 1.117 391 L CA 1.706 56.636 54.840 0.150 0.000 0.782 391 L CB -0.484 41.656 42.059 0.135 0.000 0.914 391 L HN 0.469 nan 8.230 nan 0.000 0.441 392 Y N 0.474 120.828 120.300 0.090 0.000 2.266 392 Y HA -0.064 4.486 4.550 0.000 0.000 0.294 392 Y C 2.501 178.471 175.900 0.115 0.000 1.127 392 Y CA 1.053 59.211 58.100 0.098 0.000 1.140 392 Y CB 0.169 38.670 38.460 0.070 0.000 1.071 392 Y HN -0.126 nan 8.280 nan 0.000 0.525 393 K N 0.364 120.936 120.400 0.286 0.000 2.147 393 K HA -0.089 4.231 4.320 0.001 0.000 0.205 393 K C 0.868 177.544 176.600 0.127 0.000 1.049 393 K CA 0.959 57.353 56.287 0.179 0.000 0.936 393 K CB 0.092 32.694 32.500 0.170 0.000 0.722 393 K HN 0.170 nan 8.250 nan 0.000 0.446 394 R N 0.313 120.918 120.500 0.175 0.000 2.960 394 R HA 0.204 4.545 4.340 0.001 0.000 0.249 394 R C -1.004 175.452 176.300 0.260 0.000 1.192 394 R CA -0.621 55.624 56.100 0.242 0.000 1.035 394 R CB 1.605 32.007 30.300 0.170 0.000 1.234 394 R HN -0.062 nan 8.270 nan 0.000 0.493 395 E N 1.399 121.735 120.200 0.226 0.000 2.081 395 E HA 0.210 4.561 4.350 0.001 0.000 0.276 395 E C -1.353 175.322 176.600 0.124 0.000 0.950 395 E CA -0.438 56.005 56.400 0.072 0.000 0.776 395 E CB 1.380 30.976 29.700 -0.174 0.000 1.094 395 E HN 0.194 nan 8.360 nan 0.000 0.402 396 V N 6.517 126.512 119.914 0.135 0.000 2.320 396 V HA 0.125 4.246 4.120 0.001 0.000 0.265 396 V C -0.096 176.110 176.094 0.188 0.000 1.048 396 V CA -0.539 61.847 62.300 0.143 0.000 0.865 396 V CB 0.067 31.953 31.823 0.105 0.000 1.043 396 V HN 0.652 nan 8.190 nan 0.000 0.474 397 F N 5.296 125.256 119.950 0.016 0.000 2.662 397 F HA 0.528 5.055 4.527 0.000 0.000 0.343 397 F C 0.726 176.526 175.800 0.001 0.000 1.302 397 F CA -0.070 57.939 58.000 0.015 0.000 1.142 397 F CB -0.420 38.619 39.000 0.064 0.000 1.524 397 F HN 0.615 nan 8.300 nan 0.000 0.668 398 A N 5.295 128.029 122.820 -0.144 0.000 2.566 398 A HA 0.590 4.910 4.320 0.001 0.000 0.290 398 A C -2.873 174.625 177.584 -0.143 0.000 1.071 398 A CA -1.135 50.810 52.037 -0.153 0.000 0.658 398 A CB 1.203 20.177 19.000 -0.044 0.000 1.285 398 A HN 0.133 nan 8.150 nan 0.000 0.427 399 P HA 0.358 nan 4.420 nan 0.000 0.238 399 P C -0.791 176.508 177.300 -0.002 0.000 1.794 399 P CA 0.264 63.328 63.100 -0.060 0.000 1.088 399 P CB 0.285 31.965 31.700 -0.034 0.000 1.923 400 V N 2.234 122.157 119.914 0.015 0.000 2.777 400 V HA 0.795 4.915 4.120 0.001 0.000 0.306 400 V C -1.453 174.708 176.094 0.110 0.000 1.112 400 V CA -0.704 61.641 62.300 0.074 0.000 0.917 400 V CB 2.076 33.940 31.823 0.069 0.000 1.018 400 V HN 0.467 nan 8.190 nan 0.000 0.426 401 A N 6.259 129.201 122.820 0.203 0.000 2.515 401 A HA 0.949 5.270 4.320 0.001 0.000 0.296 401 A C -1.522 176.254 177.584 0.320 0.000 1.094 401 A CA -0.760 51.434 52.037 0.262 0.000 0.718 401 A CB 1.846 21.012 19.000 0.276 0.000 1.307 401 A HN 0.920 nan 8.150 nan 0.000 0.408 402 L N 0.712 122.073 121.223 0.231 0.000 2.344 402 L HA 0.752 5.092 4.340 0.001 0.000 0.272 402 L C 0.429 177.344 176.870 0.074 0.000 1.035 402 L CA -0.500 54.407 54.840 0.111 0.000 0.807 402 L CB 1.908 44.053 42.059 0.144 0.000 1.237 402 L HN 0.828 nan 8.230 nan 0.000 0.442 403 A N 2.474 125.208 122.820 -0.144 0.000 2.330 403 A HA 0.807 5.128 4.320 0.001 0.000 0.313 403 A C -1.108 176.534 177.584 0.097 0.000 1.124 403 A CA -0.478 51.504 52.037 -0.092 0.000 0.774 403 A CB 1.492 20.146 19.000 -0.576 0.000 1.198 403 A HN 0.378 nan 8.150 nan 0.000 0.465 404 V N 2.464 122.504 119.914 0.210 0.000 2.569 404 V HA 0.309 4.429 4.120 0.001 0.000 0.301 404 V C -0.044 176.058 176.094 0.013 0.000 1.044 404 V CA -0.595 61.754 62.300 0.080 0.000 0.874 404 V CB 1.611 33.468 31.823 0.056 0.000 1.002 404 V HN 1.036 nan 8.190 nan 0.000 0.424 405 E N 3.543 123.488 120.200 -0.424 0.000 2.338 405 E HA 0.540 4.890 4.350 0.001 0.000 0.272 405 E C -0.674 175.795 176.600 -0.218 0.000 1.029 405 E CA -0.331 55.700 56.400 -0.615 0.000 0.872 405 E CB 1.569 30.597 29.700 -1.120 0.000 1.015 405 E HN 0.677 nan 8.360 nan 0.000 0.417 406 V N 1.313 121.173 119.914 -0.090 0.000 2.962 406 V HA 0.378 4.498 4.120 0.001 0.000 0.313 406 V C 0.418 176.499 176.094 -0.021 0.000 1.099 406 V CA -0.758 61.520 62.300 -0.036 0.000 0.971 406 V CB 1.909 33.743 31.823 0.018 0.000 1.028 406 V HN 0.811 nan 8.190 nan 0.000 0.430 407 K N 1.595 121.985 120.400 -0.018 0.000 2.031 407 K HA 0.134 4.454 4.320 0.001 0.000 0.205 407 K C 0.030 176.636 176.600 0.010 0.000 1.049 407 K CA 1.638 57.920 56.287 -0.008 0.000 0.939 407 K CB -0.222 32.272 32.500 -0.010 0.000 0.717 407 K HN 0.998 nan 8.250 nan 0.000 0.438 408 D N -1.634 118.776 120.400 0.017 0.000 2.677 408 D HA 0.012 4.653 4.640 0.001 0.000 0.298 408 D C 0.427 176.748 176.300 0.034 0.000 1.250 408 D CA -0.806 53.210 54.000 0.026 0.000 0.888 408 D CB 0.276 41.087 40.800 0.020 0.000 1.397 408 D HN -0.133 nan 8.370 nan 0.000 0.461 409 L N 0.571 121.816 121.223 0.037 0.000 2.013 409 L HA -0.124 4.216 4.340 0.001 0.000 0.212 409 L C 1.252 178.145 176.870 0.038 0.000 1.073 409 L CA 2.195 57.059 54.840 0.041 0.000 0.753 409 L CB -1.022 41.058 42.059 0.036 0.000 0.890 409 L HN 0.441 nan 8.230 nan 0.000 0.432 410 D N -0.960 119.458 120.400 0.029 0.000 2.123 410 D HA -0.268 4.373 4.640 0.001 0.000 0.196 410 D C 2.073 178.391 176.300 0.031 0.000 0.992 410 D CA 1.548 55.564 54.000 0.027 0.000 0.833 410 D CB -0.046 40.765 40.800 0.020 0.000 0.954 410 D HN 0.600 nan 8.370 nan 0.000 0.455 411 Q N 0.223 120.040 119.800 0.028 0.000 2.123 411 Q HA -0.073 4.268 4.340 0.001 0.000 0.199 411 Q C 2.068 178.096 176.000 0.047 0.000 0.966 411 Q CA 1.239 57.059 55.803 0.028 0.000 0.845 411 Q CB 0.017 28.764 28.738 0.014 0.000 0.907 411 Q HN 0.174 nan 8.270 nan 0.000 0.439 412 A N 1.121 123.974 122.820 0.055 0.000 1.865 412 A HA -0.204 4.116 4.320 0.001 0.000 0.217 412 A C 2.007 179.641 177.584 0.083 0.000 1.191 412 A CA 1.551 53.635 52.037 0.078 0.000 0.623 412 A CB -0.812 18.238 19.000 0.083 0.000 0.826 412 A HN 0.488 nan 8.150 nan 0.000 0.444 413 I N -0.508 120.103 120.570 0.067 0.000 2.163 413 I HA -0.266 3.904 4.170 0.001 0.000 0.243 413 I C 2.693 178.852 176.117 0.069 0.000 1.085 413 I CA 1.784 63.122 61.300 0.063 0.000 1.347 413 I CB -0.363 37.665 38.000 0.047 0.000 1.044 413 I HN 0.512 nan 8.210 nan 0.000 0.408 414 E N 1.542 121.780 120.200 0.063 0.000 2.058 414 E HA -0.232 4.119 4.350 0.001 0.000 0.194 414 E C 2.331 178.991 176.600 0.100 0.000 0.997 414 E CA 1.557 57.996 56.400 0.065 0.000 0.801 414 E CB -0.175 29.553 29.700 0.046 0.000 0.746 414 E HN 0.478 nan 8.360 nan 0.000 0.450 415 L N 0.427 121.717 121.223 0.112 0.000 2.046 415 L HA -0.158 4.182 4.340 0.001 0.000 0.208 415 L C 2.780 179.798 176.870 0.247 0.000 1.077 415 L CA 1.157 56.107 54.840 0.185 0.000 0.747 415 L CB -0.463 41.685 42.059 0.148 0.000 0.896 415 L HN 0.164 nan 8.230 nan 0.000 0.432 416 A N 0.012 122.931 122.820 0.164 0.000 1.908 416 A HA -0.217 4.103 4.320 0.001 0.000 0.218 416 A C 1.916 179.561 177.584 0.102 0.000 1.181 416 A CA 1.924 54.040 52.037 0.131 0.000 0.627 416 A CB -0.538 18.526 19.000 0.106 0.000 0.818 416 A HN 0.448 nan 8.150 nan 0.000 0.445 417 N N -0.021 118.738 118.700 0.099 0.000 2.515 417 N HA -0.029 4.712 4.740 0.001 0.000 0.185 417 N C 1.543 177.105 175.510 0.086 0.000 1.109 417 N CA 0.910 54.006 53.050 0.076 0.000 0.903 417 N CB -0.291 38.233 38.487 0.061 0.000 0.969 417 N HN 0.501 nan 8.380 nan 0.000 0.450 418 G N 0.378 109.274 108.800 0.160 0.000 2.650 418 G HA2 -0.098 3.862 3.960 0.001 0.000 0.214 418 G HA3 -0.098 3.862 3.960 0.001 0.000 0.214 418 G C 0.818 175.815 174.900 0.162 0.000 1.136 418 G CA -0.018 45.224 45.100 0.236 0.000 0.789 418 G HN 0.219 nan 8.290 nan 0.000 0.536 419 R N 0.265 120.711 120.500 -0.090 0.000 2.577 419 R HA 0.217 4.557 4.340 0.001 0.000 0.269 419 R C -1.440 174.771 176.300 -0.149 0.000 1.084 419 R CA -1.476 54.460 56.100 -0.274 0.000 1.163 419 R CB 0.638 30.737 30.300 -0.334 0.000 1.100 419 R HN -0.024 nan 8.270 nan 0.000 0.547 420 P HA -0.077 nan 4.420 nan 0.000 0.241 420 P C -0.561 176.485 177.300 -0.423 0.000 1.191 420 P CA 1.080 63.955 63.100 -0.375 0.000 0.771 420 P CB 0.295 31.691 31.700 -0.508 0.000 0.929 421 Y N 0.192 120.485 120.300 -0.012 0.000 2.458 421 Y HA 0.614 5.164 4.550 0.000 0.000 0.322 421 Y C 1.627 177.540 175.900 0.022 0.000 1.259 421 Y CA -0.237 57.871 58.100 0.013 0.000 1.302 421 Y CB 0.928 39.398 38.460 0.016 0.000 1.314 421 Y HN -0.177 nan 8.280 nan 0.000 0.509 422 G N 0.743 109.681 108.800 0.230 0.000 4.775 422 G HA2 0.254 4.214 3.960 0.001 0.000 0.222 422 G HA3 0.254 4.214 3.960 0.001 0.000 0.222 422 G C -0.305 174.688 174.900 0.155 0.000 0.974 422 G CA -0.195 44.994 45.100 0.149 0.000 0.614 422 G HN 0.558 nan 8.290 nan 0.000 0.427 423 L N 0.019 121.349 121.223 0.179 0.000 2.051 423 L HA 0.472 4.812 4.340 0.001 0.000 0.202 423 L C 0.472 177.470 176.870 0.213 0.000 1.097 423 L CA 1.646 56.605 54.840 0.199 0.000 0.762 423 L CB 0.052 42.234 42.059 0.204 0.000 0.913 423 L HN 0.270 nan 8.230 nan 0.000 0.447 424 D N -1.760 118.767 120.400 0.211 0.000 2.614 424 D HA 0.645 5.285 4.640 0.001 0.000 0.264 424 D C -1.149 175.254 176.300 0.172 0.000 1.092 424 D CA -0.165 53.980 54.000 0.241 0.000 1.071 424 D CB 1.879 42.902 40.800 0.372 0.000 1.443 424 D HN 0.277 nan 8.370 nan 0.000 0.528 425 A N -0.397 122.533 122.820 0.182 0.000 2.594 425 A HA 0.724 5.045 4.320 0.001 0.000 0.295 425 A C -1.708 175.961 177.584 0.141 0.000 1.071 425 A CA -0.545 51.571 52.037 0.130 0.000 0.685 425 A CB 1.925 20.981 19.000 0.092 0.000 1.285 425 A HN 0.635 nan 8.150 nan 0.000 0.405 426 A N 0.402 123.282 122.820 0.099 0.000 2.365 426 A HA 0.793 5.113 4.320 0.001 0.000 0.318 426 A C -1.111 176.455 177.584 -0.030 0.000 1.091 426 A CA -0.571 51.473 52.037 0.011 0.000 0.763 426 A CB 1.480 20.501 19.000 0.035 0.000 1.248 426 A HN 1.558 nan 8.150 nan 0.000 0.442 427 V N 2.206 121.995 119.914 -0.209 0.000 2.524 427 V HA 0.439 4.560 4.120 0.001 0.000 0.297 427 V C -1.476 174.452 176.094 -0.276 0.000 1.035 427 V CA -0.223 62.012 62.300 -0.109 0.000 0.867 427 V CB 1.066 32.860 31.823 -0.049 0.000 1.004 427 V HN 0.716 nan 8.190 nan 0.000 0.426 428 F N 2.969 122.943 119.950 0.040 0.000 2.427 428 F HA 0.912 5.439 4.527 0.000 0.000 0.346 428 F C 0.828 176.646 175.800 0.029 0.000 1.120 428 F CA -0.187 57.832 58.000 0.031 0.000 1.033 428 F CB 2.070 41.087 39.000 0.027 0.000 1.126 428 F HN 0.705 nan 8.300 nan 0.000 0.462 429 G N 2.660 111.550 108.800 0.151 0.000 2.316 429 G HA2 0.318 4.279 3.960 0.001 0.000 0.296 429 G HA3 0.318 4.279 3.960 0.001 0.000 0.296 429 G C -0.536 174.400 174.900 0.060 0.000 1.399 429 G CA -0.911 44.249 45.100 0.101 0.000 0.833 429 G HN 0.505 nan 8.290 nan 0.000 0.565 430 R N -0.949 119.579 120.500 0.046 0.000 2.435 430 R HA 0.175 4.516 4.340 0.001 0.000 0.221 430 R C 0.146 176.457 176.300 0.019 0.000 0.885 430 R CA -0.316 55.802 56.100 0.030 0.000 1.018 430 R CB 0.625 30.944 30.300 0.032 0.000 1.259 430 R HN 0.524 nan 8.270 nan 0.000 0.597 431 D N 2.050 122.463 120.400 0.022 0.000 2.363 431 D HA -0.040 4.600 4.640 0.001 0.000 0.263 431 D C 1.561 177.866 176.300 0.008 0.000 1.258 431 D CA 0.037 54.047 54.000 0.015 0.000 0.907 431 D CB 1.484 42.295 40.800 0.019 0.000 1.107 431 D HN -0.039 nan 8.370 nan 0.000 0.495 432 V N 2.814 122.730 119.914 0.003 0.000 2.380 432 V HA -0.251 3.870 4.120 0.001 0.000 0.251 432 V C 2.193 178.285 176.094 -0.003 0.000 1.063 432 V CA 1.186 63.484 62.300 -0.003 0.000 1.055 432 V CB -0.947 30.873 31.823 -0.005 0.000 0.657 432 V HN 0.453 nan 8.190 nan 0.000 0.455 433 V N 0.443 120.358 119.914 0.001 0.000 2.307 433 V HA -0.195 3.925 4.120 0.001 0.000 0.245 433 V C 2.833 178.930 176.094 0.003 0.000 1.045 433 V CA 2.426 64.726 62.300 0.001 0.000 1.024 433 V CB -0.859 30.967 31.823 0.004 0.000 0.651 433 V HN 0.526 nan 8.190 nan 0.000 0.449 434 K N -0.166 120.239 120.400 0.009 0.000 2.097 434 K HA -0.097 4.223 4.320 0.001 0.000 0.206 434 K C 2.094 178.699 176.600 0.009 0.000 1.049 434 K CA 1.537 57.832 56.287 0.013 0.000 0.933 434 K CB -0.365 32.147 32.500 0.021 0.000 0.717 434 K HN 0.400 nan 8.250 nan 0.000 0.442 435 I N 0.759 121.330 120.570 0.002 0.000 2.179 435 I HA -0.269 3.901 4.170 0.001 0.000 0.242 435 I C 2.662 178.770 176.117 -0.016 0.000 1.088 435 I CA 1.015 62.309 61.300 -0.009 0.000 1.357 435 I CB -0.170 37.819 38.000 -0.019 0.000 1.051 435 I HN 0.054 nan 8.210 nan 0.000 0.409 436 R N 1.302 121.794 120.500 -0.015 0.000 2.091 436 R HA -0.160 4.180 4.340 0.001 0.000 0.238 436 R C 2.291 178.583 176.300 -0.012 0.000 1.136 436 R CA 1.651 57.740 56.100 -0.018 0.000 0.959 436 R CB -0.357 29.934 30.300 -0.015 0.000 0.856 436 R HN 0.220 nan 8.270 nan 0.000 0.437 437 R N -0.557 119.940 120.500 -0.005 0.000 2.083 437 R HA -0.079 4.262 4.340 0.001 0.000 0.237 437 R C 2.293 178.594 176.300 0.002 0.000 1.137 437 R CA 1.595 57.695 56.100 0.000 0.000 0.951 437 R CB -0.538 29.766 30.300 0.006 0.000 0.851 437 R HN 0.319 nan 8.270 nan 0.000 0.434 438 A N 0.578 123.400 122.820 0.004 0.000 1.902 438 A HA -0.133 4.188 4.320 0.001 0.000 0.217 438 A C 2.363 179.945 177.584 -0.003 0.000 1.181 438 A CA 1.505 53.547 52.037 0.008 0.000 0.623 438 A CB -0.631 18.376 19.000 0.011 0.000 0.818 438 A HN 0.138 nan 8.150 nan 0.000 0.443 439 V N -0.035 119.869 119.914 -0.018 0.000 2.332 439 V HA -0.271 3.849 4.120 0.001 0.000 0.248 439 V C 2.681 178.761 176.094 -0.024 0.000 1.055 439 V CA 2.423 64.704 62.300 -0.031 0.000 1.038 439 V CB -0.776 31.019 31.823 -0.047 0.000 0.651 439 V HN 0.703 nan 8.190 nan 0.000 0.450 440 R N -0.510 119.980 120.500 -0.017 0.000 2.066 440 R HA -0.098 4.242 4.340 0.001 0.000 0.232 440 R C 2.028 178.325 176.300 -0.005 0.000 1.131 440 R CA 1.422 57.514 56.100 -0.013 0.000 0.955 440 R CB -0.115 30.179 30.300 -0.010 0.000 0.851 440 R HN 0.317 nan 8.270 nan 0.000 0.432 441 L N 0.943 122.167 121.223 0.002 0.000 2.341 441 L HA 0.159 4.499 4.340 0.001 0.000 0.214 441 L C 0.541 177.421 176.870 0.017 0.000 1.115 441 L CA 0.681 55.528 54.840 0.011 0.000 0.820 441 L CB -0.639 41.429 42.059 0.015 0.000 0.944 441 L HN 0.172 nan 8.230 nan 0.000 0.452 442 L N 0.921 122.154 121.223 0.017 0.000 2.418 442 L HA 0.017 4.357 4.340 0.001 0.000 0.274 442 L C 0.922 177.807 176.870 0.025 0.000 1.135 442 L CA 0.284 55.140 54.840 0.028 0.000 0.870 442 L CB 0.243 42.319 42.059 0.029 0.000 1.154 442 L HN 0.144 nan 8.230 nan 0.000 0.462 443 E N 4.427 124.647 120.200 0.033 0.000 1.892 443 E HA 0.280 4.630 4.350 0.001 0.000 0.271 443 E C -1.018 175.609 176.600 0.045 0.000 1.146 443 E CA -0.336 56.082 56.400 0.031 0.000 1.096 443 E CB 0.336 30.054 29.700 0.030 0.000 1.155 443 E HN 0.429 nan 8.360 nan 0.000 0.458 444 V N -0.631 119.308 119.914 0.041 0.000 3.114 444 V HA 0.614 4.734 4.120 0.001 0.000 0.308 444 V C 1.017 177.135 176.094 0.041 0.000 1.168 444 V CA -0.457 61.879 62.300 0.061 0.000 1.015 444 V CB 1.380 33.251 31.823 0.079 0.000 1.050 444 V HN 0.302 nan 8.190 nan 0.000 0.433 445 G N 0.717 109.554 108.800 0.061 0.000 2.422 445 G HA2 0.443 4.403 3.960 0.001 0.000 0.218 445 G HA3 0.443 4.403 3.960 0.001 0.000 0.218 445 G C 0.496 175.395 174.900 -0.001 0.000 1.140 445 G CA 0.883 46.000 45.100 0.028 0.000 0.775 445 G HN 1.745 nan 8.290 nan 0.000 0.545 446 A N -0.824 122.017 122.820 0.034 0.000 2.520 446 A HA 0.711 5.032 4.320 0.001 0.000 0.298 446 A C -1.563 175.984 177.584 -0.061 0.000 1.051 446 A CA -0.575 51.428 52.037 -0.057 0.000 0.690 446 A CB 1.411 20.387 19.000 -0.041 0.000 1.281 446 A HN 0.094 nan 8.150 nan 0.000 0.402 447 I N 1.505 121.951 120.570 -0.207 0.000 2.433 447 I HA 0.419 4.589 4.170 0.001 0.000 0.292 447 I C -1.390 174.524 176.117 -0.338 0.000 1.001 447 I CA -0.270 60.944 61.300 -0.143 0.000 1.119 447 I CB 1.690 39.628 38.000 -0.103 0.000 1.289 447 I HN 0.591 nan 8.210 nan 0.000 0.438 448 Y N 6.259 126.491 120.300 -0.113 0.000 2.342 448 Y HA 0.466 5.017 4.550 0.000 0.000 0.338 448 Y C -0.111 175.632 175.900 -0.261 0.000 0.965 448 Y CA -0.872 57.128 58.100 -0.167 0.000 1.159 448 Y CB 0.906 39.277 38.460 -0.148 0.000 1.157 448 Y HN 0.231 nan 8.280 nan 0.000 0.486 449 I N 4.418 124.897 120.570 -0.152 0.000 2.342 449 I HA 0.105 4.275 4.170 0.001 0.000 0.291 449 I C 0.301 176.269 176.117 -0.249 0.000 1.010 449 I CA -0.629 60.547 61.300 -0.206 0.000 1.308 449 I CB 0.498 38.413 38.000 -0.142 0.000 1.400 449 I HN 0.726 nan 8.210 nan 0.000 0.488 450 N N 3.583 122.014 118.700 -0.450 0.000 2.735 450 N HA -0.220 4.521 4.740 0.001 0.000 0.248 450 N C -0.396 174.988 175.510 -0.210 0.000 1.083 450 N CA 1.033 53.876 53.050 -0.345 0.000 0.703 450 N CB -0.630 37.832 38.487 -0.042 0.000 1.005 450 N HN 0.755 nan 8.380 nan 0.000 0.550 451 D N -0.892 119.246 120.400 -0.438 0.000 2.653 451 D HA 0.309 4.950 4.640 0.001 0.000 0.258 451 D C -0.207 176.052 176.300 -0.069 0.000 1.252 451 D CA -0.566 53.408 54.000 -0.044 0.000 0.777 451 D CB 0.887 41.696 40.800 0.014 0.000 1.339 451 D HN 0.104 nan 8.370 nan 0.000 0.422 452 M N -0.111 119.520 119.600 0.053 0.000 2.228 452 M HA 0.613 5.093 4.480 0.001 0.000 0.326 452 M C -2.291 173.780 176.300 -0.381 0.000 1.122 452 M CA -1.264 54.015 55.300 -0.035 0.000 1.161 452 M CB 0.661 33.229 32.600 -0.054 0.000 1.437 452 M HN -0.064 nan 8.290 nan 0.000 0.465 453 P HA 0.244 nan 4.420 nan 0.000 0.271 453 P C -1.335 175.448 177.300 -0.862 0.000 1.220 453 P CA 0.041 62.471 63.100 -1.116 0.000 0.768 453 P CB 0.489 31.874 31.700 -0.525 0.000 0.848 454 R N 2.418 122.333 120.500 -0.976 0.000 2.605 454 R HA 0.184 4.524 4.340 0.001 0.000 0.291 454 R C 0.570 176.727 176.300 -0.238 0.000 1.226 454 R CA -0.344 55.457 56.100 -0.499 0.000 0.981 454 R CB 0.372 30.484 30.300 -0.313 0.000 1.215 454 R HN 0.601 nan 8.270 nan 0.000 0.428 455 H N 2.451 121.289 119.070 -0.388 0.000 2.457 455 H HA -0.014 4.542 4.556 0.000 0.000 0.294 455 H C 1.465 176.612 175.328 -0.301 0.000 1.064 455 H CA 0.554 56.314 56.048 -0.480 0.000 1.330 455 H CB 0.405 29.450 29.762 -1.195 0.000 1.395 455 H HN 0.953 nan 8.280 nan 0.000 0.541 456 G N 1.654 110.314 108.800 -0.233 0.000 2.634 456 G HA2 -0.384 3.576 3.960 0.001 0.000 0.309 456 G HA3 -0.384 3.576 3.960 0.001 0.000 0.309 456 G C 0.939 175.638 174.900 -0.335 0.000 1.265 456 G CA 0.597 45.547 45.100 -0.250 0.000 0.998 456 G HN 0.564 nan 8.290 nan 0.000 0.551 457 I N -1.016 119.484 120.570 -0.116 0.000 3.875 457 I HA 0.547 4.717 4.170 0.001 0.000 0.329 457 I C 1.511 177.865 176.117 0.394 0.000 1.295 457 I CA 0.873 62.230 61.300 0.094 0.000 1.129 457 I CB 0.004 38.114 38.000 0.183 0.000 1.008 457 I HN 2.193 nan 8.210 nan 0.000 0.413 458 G N 1.351 110.367 108.800 0.360 0.000 2.140 458 G HA2 -0.366 3.594 3.960 0.001 0.000 0.211 458 G HA3 -0.366 3.594 3.960 0.001 0.000 0.211 458 G C 0.390 175.462 174.900 0.286 0.000 1.013 458 G CA 0.335 45.730 45.100 0.490 0.000 0.705 458 G HN 0.581 nan 8.290 nan 0.000 0.508 459 Y N 0.087 120.403 120.300 0.027 0.000 2.207 459 Y HA 0.133 4.683 4.550 0.000 0.000 0.287 459 Y C 0.981 176.719 175.900 -0.270 0.000 1.156 459 Y CA 1.757 59.742 58.100 -0.192 0.000 1.182 459 Y CB 0.087 38.301 38.460 -0.410 0.000 0.979 459 Y HN 0.363 nan 8.280 nan 0.000 0.521 460 Y N 1.584 122.052 120.300 0.281 0.000 2.352 460 Y HA 0.381 4.932 4.550 0.000 0.000 0.339 460 Y C -2.100 173.848 175.900 0.080 0.000 0.992 460 Y CA -4.043 54.124 58.100 0.113 0.000 1.100 460 Y CB 0.510 39.042 38.460 0.120 0.000 1.192 460 Y HN -0.085 nan 8.280 nan 0.000 0.458 461 P HA 0.175 nan 4.420 nan 0.000 0.271 461 P C -1.026 176.219 177.300 -0.092 0.000 1.218 461 P CA 0.179 63.143 63.100 -0.227 0.000 0.780 461 P CB 0.708 31.966 31.700 -0.735 0.000 0.901 462 F N -1.169 118.671 119.950 -0.184 0.000 2.662 462 F HA 0.902 5.429 4.527 0.000 0.000 0.312 462 F C -0.290 175.405 175.800 -0.174 0.000 1.113 462 F CA -0.800 57.066 58.000 -0.223 0.000 0.951 462 F CB 1.403 40.112 39.000 -0.485 0.000 1.344 462 F HN 0.715 nan 8.300 nan 0.000 0.462 463 G N -0.568 108.269 108.800 0.062 0.000 2.320 463 G HA2 0.508 4.468 3.960 0.001 0.000 0.297 463 G HA3 0.508 4.468 3.960 0.001 0.000 0.297 463 G C -1.393 173.577 174.900 0.116 0.000 1.344 463 G CA -0.233 44.901 45.100 0.058 0.000 0.851 463 G HN 1.280 nan 8.290 nan 0.000 0.567 464 G N -0.931 107.947 108.800 0.130 0.000 2.491 464 G HA2 0.709 4.669 3.960 0.001 0.000 0.327 464 G HA3 0.709 4.669 3.960 0.001 0.000 0.327 464 G C -0.637 174.323 174.900 0.101 0.000 1.189 464 G CA -0.574 44.607 45.100 0.135 0.000 0.956 464 G HN 0.487 nan 8.290 nan 0.000 0.491 465 R N -0.125 120.437 120.500 0.102 0.000 2.888 465 R HA 0.467 4.807 4.340 0.001 0.000 0.266 465 R C 0.348 176.697 176.300 0.083 0.000 1.020 465 R CA -0.629 55.516 56.100 0.075 0.000 0.963 465 R CB 1.808 32.143 30.300 0.059 0.000 1.197 465 R HN 0.902 nan 8.270 nan 0.000 0.481 466 K N 0.464 120.897 120.400 0.055 0.000 1.867 466 K HA -0.273 4.047 4.320 0.001 0.000 0.140 466 K C 0.843 177.472 176.600 0.047 0.000 1.408 466 K CA 1.143 57.450 56.287 0.034 0.000 0.461 466 K CB -0.887 31.624 32.500 0.018 0.000 0.594 466 K HN 0.377 nan 8.250 nan 0.000 0.888 467 K N 1.237 121.651 120.400 0.024 0.000 2.442 467 K HA 0.038 4.359 4.320 0.001 0.000 0.198 467 K C 1.722 178.458 176.600 0.227 0.000 1.042 467 K CA 1.028 57.350 56.287 0.059 0.000 0.958 467 K CB -0.119 32.303 32.500 -0.131 0.000 0.766 467 K HN 0.350 nan 8.250 nan 0.000 0.474 468 S N 0.345 116.197 115.700 0.254 0.000 2.607 468 S HA 0.141 4.611 4.470 0.001 0.000 0.224 468 S C 0.945 175.661 174.600 0.193 0.000 0.969 468 S CA 0.462 58.816 58.200 0.258 0.000 0.927 468 S CB 0.031 63.373 63.200 0.237 0.000 0.772 468 S HN 0.587 nan 8.310 nan 0.000 0.533 469 G N 0.252 109.145 108.800 0.155 0.000 2.447 469 G HA2 0.002 3.963 3.960 0.001 0.000 0.220 469 G HA3 0.002 3.963 3.960 0.001 0.000 0.220 469 G C -1.085 173.894 174.900 0.132 0.000 1.261 469 G CA -0.376 44.808 45.100 0.139 0.000 1.000 469 G HN 0.698 nan 8.290 nan 0.000 0.515 470 V N -0.632 119.380 119.914 0.163 0.000 3.049 470 V HA 0.872 4.992 4.120 0.001 0.000 0.309 470 V C -0.095 176.212 176.094 0.354 0.000 1.148 470 V CA 0.495 62.928 62.300 0.221 0.000 0.990 470 V CB 1.268 33.229 31.823 0.230 0.000 1.039 470 V HN 2.362 nan 8.190 nan 0.000 0.430 471 F N 2.732 122.692 119.950 0.017 0.000 2.183 471 F HA -0.041 4.486 4.527 0.001 0.000 0.318 471 F C 0.067 175.829 175.800 -0.064 0.000 1.222 471 F CA 0.447 58.441 58.000 -0.011 0.000 0.912 471 F CB -0.021 38.985 39.000 0.011 0.000 4.135 471 F HN 0.697 nan 8.300 nan 0.000 0.137 472 R N 1.114 121.564 120.500 -0.084 0.000 2.803 472 R HA 0.650 4.991 4.340 0.001 0.000 0.276 472 R C -0.964 175.161 176.300 -0.291 0.000 0.978 472 R CA -1.049 54.918 56.100 -0.222 0.000 0.939 472 R CB 2.042 32.169 30.300 -0.288 0.000 1.179 472 R HN 0.604 nan 8.270 nan 0.000 0.472 473 E N -0.149 119.693 120.200 -0.596 0.000 2.244 473 E HA 0.726 5.076 4.350 0.001 0.000 0.266 473 E C -0.436 175.788 176.600 -0.626 0.000 0.914 473 E CA -0.840 55.192 56.400 -0.613 0.000 0.794 473 E CB 2.476 31.828 29.700 -0.580 0.000 1.210 473 E HN 0.776 nan 8.360 nan 0.000 0.414 474 G N 1.081 109.717 108.800 -0.274 0.000 2.340 474 G HA2 0.126 4.086 3.960 0.001 0.000 0.300 474 G HA3 0.126 4.086 3.960 0.001 0.000 0.300 474 G C -1.145 173.801 174.900 0.077 0.000 1.488 474 G CA -1.093 43.987 45.100 -0.032 0.000 0.878 474 G HN 0.436 nan 8.290 nan 0.000 0.618 475 I N 2.147 122.793 120.570 0.128 0.000 2.664 475 I HA 0.313 4.483 4.170 0.001 0.000 0.284 475 I C 1.662 177.832 176.117 0.088 0.000 1.154 475 I CA 2.054 63.411 61.300 0.095 0.000 1.402 475 I CB 0.417 38.438 38.000 0.036 0.000 1.395 475 I HN 1.590 nan 8.210 nan 0.000 0.545 476 G N 5.139 113.971 108.800 0.054 0.000 3.079 476 G HA2 -0.370 3.591 3.960 0.001 0.000 0.214 476 G HA3 -0.370 3.591 3.960 0.001 0.000 0.214 476 G C 0.721 175.517 174.900 -0.174 0.000 1.335 476 G CA 0.200 45.262 45.100 -0.064 0.000 0.822 476 G HN 0.545 nan 8.290 nan 0.000 0.545 477 Y N 1.525 121.761 120.300 -0.106 0.000 2.352 477 Y HA 0.306 4.856 4.550 0.001 0.000 0.292 477 Y C 3.156 178.922 175.900 -0.224 0.000 1.136 477 Y CA 1.761 59.762 58.100 -0.164 0.000 1.227 477 Y CB -0.418 37.936 38.460 -0.177 0.000 0.991 477 Y HN 0.527 nan 8.280 nan 0.000 0.545 478 A N -0.570 122.157 122.820 -0.154 0.000 2.172 478 A HA -0.094 4.226 4.320 0.001 0.000 0.216 478 A C 2.390 179.813 177.584 -0.270 0.000 1.154 478 A CA 1.133 52.913 52.037 -0.428 0.000 0.701 478 A CB -1.061 17.262 19.000 -1.129 0.000 0.789 478 A HN 0.326 nan 8.150 nan 0.000 0.465 479 V N 0.496 120.285 119.914 -0.209 0.000 2.380 479 V HA -0.311 3.809 4.120 0.001 0.000 0.251 479 V C 2.178 178.060 176.094 -0.354 0.000 1.063 479 V CA 2.748 64.743 62.300 -0.509 0.000 1.055 479 V CB -0.568 30.780 31.823 -0.793 0.000 0.657 479 V HN 0.768 nan 8.190 nan 0.000 0.455 480 E N 0.145 120.216 120.200 -0.215 0.000 2.204 480 E HA -0.156 4.194 4.350 0.001 0.000 0.195 480 E C 2.108 178.757 176.600 0.082 0.000 0.990 480 E CA 1.239 57.588 56.400 -0.085 0.000 0.821 480 E CB -0.319 29.367 29.700 -0.023 0.000 0.750 480 E HN 0.711 nan 8.360 nan 0.000 0.477 481 A N 0.893 123.758 122.820 0.075 0.000 2.081 481 A HA 0.005 4.325 4.320 0.001 0.000 0.214 481 A C 2.035 179.619 177.584 -0.001 0.000 1.158 481 A CA 0.718 52.787 52.037 0.054 0.000 0.724 481 A CB 0.214 19.272 19.000 0.096 0.000 0.826 481 A HN 0.201 nan 8.150 nan 0.000 0.463 482 V N -4.403 115.518 119.914 0.011 0.000 3.159 482 V HA 0.391 4.512 4.120 0.001 0.000 0.333 482 V C 0.174 176.250 176.094 -0.031 0.000 1.424 482 V CA 0.166 62.496 62.300 0.050 0.000 1.125 482 V CB -0.272 31.686 31.823 0.225 0.000 1.075 482 V HN 0.097 nan 8.190 nan 0.000 0.482 483 T N 1.338 115.815 114.554 -0.129 0.000 2.906 483 T HA 0.852 5.203 4.350 0.001 0.000 0.295 483 T C -0.525 174.052 174.700 -0.205 0.000 1.061 483 T CA 0.272 62.254 62.100 -0.197 0.000 1.000 483 T CB 1.935 70.586 68.868 -0.362 0.000 1.103 483 T HN 0.777 nan 8.240 nan 0.000 0.486 484 A N 1.885 124.601 122.820 -0.175 0.000 2.380 484 A HA 0.819 5.139 4.320 0.001 0.000 0.315 484 A C -1.547 175.969 177.584 -0.115 0.000 1.101 484 A CA -0.576 51.384 52.037 -0.128 0.000 0.771 484 A CB 0.740 19.710 19.000 -0.050 0.000 1.287 484 A HN 0.754 nan 8.150 nan 0.000 0.436 485 Y N 0.573 120.852 120.300 -0.036 0.000 2.300 485 Y HA 0.494 5.044 4.550 0.000 0.000 0.328 485 Y C 0.644 176.528 175.900 -0.026 0.000 1.270 485 Y CA 0.589 58.670 58.100 -0.033 0.000 1.352 485 Y CB 1.122 39.566 38.460 -0.026 0.000 1.286 485 Y HN 0.659 nan 8.280 nan 0.000 0.536 486 K N 0.670 121.177 120.400 0.180 0.000 2.541 486 K HA 0.453 4.773 4.320 0.001 0.000 0.250 486 K C -1.622 175.015 176.600 0.062 0.000 0.950 486 K CA -0.394 55.943 56.287 0.083 0.000 0.805 486 K CB 1.117 33.650 32.500 0.055 0.000 1.166 486 K HN 0.589 nan 8.250 nan 0.000 0.430 487 T N 5.040 119.604 114.554 0.016 0.000 2.795 487 T HA 0.515 4.865 4.350 0.001 0.000 0.282 487 T C -0.461 174.209 174.700 -0.049 0.000 0.980 487 T CA -0.468 61.621 62.100 -0.019 0.000 1.012 487 T CB 0.412 69.250 68.868 -0.050 0.000 0.936 487 T HN 0.445 nan 8.240 nan 0.000 0.457 488 I N 3.254 123.790 120.570 -0.057 0.000 2.382 488 I HA 0.371 4.541 4.170 0.001 0.000 0.286 488 I C -0.415 175.554 176.117 -0.247 0.000 1.002 488 I CA -0.688 60.497 61.300 -0.192 0.000 1.135 488 I CB 1.740 39.633 38.000 -0.179 0.000 1.288 488 I HN 0.309 nan 8.210 nan 0.000 0.448 489 V N 6.671 126.393 119.914 -0.321 0.000 2.398 489 V HA 0.435 4.555 4.120 0.001 0.000 0.286 489 V C -0.467 175.410 176.094 -0.362 0.000 1.026 489 V CA -0.560 61.617 62.300 -0.205 0.000 0.868 489 V CB 0.994 32.745 31.823 -0.120 0.000 0.982 489 V HN 0.348 nan 8.190 nan 0.000 0.443 490 F N 3.180 123.110 119.950 -0.033 0.000 2.436 490 F HA 0.468 4.996 4.527 0.001 0.000 0.340 490 F C 0.413 176.063 175.800 -0.250 0.000 1.113 490 F CA -0.572 57.331 58.000 -0.161 0.000 1.022 490 F CB 1.359 40.303 39.000 -0.093 0.000 1.128 490 F HN 0.468 nan 8.300 nan 0.000 0.466 491 N N 2.652 121.227 118.700 -0.207 0.000 2.437 491 N HA 0.204 4.945 4.740 0.001 0.000 0.259 491 N C -0.990 174.362 175.510 -0.264 0.000 0.983 491 N CA -0.364 52.600 53.050 -0.144 0.000 0.937 491 N CB 0.359 38.801 38.487 -0.076 0.000 1.122 491 N HN 0.465 nan 8.380 nan 0.000 0.499 492 Y N 1.468 121.910 120.300 0.236 0.000 2.696 492 Y HA 0.337 4.887 4.550 0.001 0.000 0.260 492 Y C 0.172 176.193 175.900 0.201 0.000 1.165 492 Y CA -0.556 57.682 58.100 0.230 0.000 1.189 492 Y CB 0.197 38.850 38.460 0.321 0.000 1.180 492 Y HN 0.282 nan 8.280 nan 0.000 0.538 493 K N 0.548 121.088 120.400 0.234 0.000 2.491 493 K HA 0.179 4.499 4.320 0.001 0.000 0.279 493 K C 1.275 177.964 176.600 0.148 0.000 1.026 493 K CA 1.170 57.561 56.287 0.173 0.000 1.070 493 K CB 0.014 32.575 32.500 0.102 0.000 0.887 493 K HN 0.565 nan 8.250 nan 0.000 0.481 494 G N 2.678 111.565 108.800 0.145 0.000 2.175 494 G HA2 -0.300 3.660 3.960 0.001 0.000 0.265 494 G HA3 -0.300 3.660 3.960 0.001 0.000 0.265 494 G C 0.653 175.618 174.900 0.108 0.000 0.979 494 G CA 0.236 45.402 45.100 0.108 0.000 0.663 494 G HN 0.541 nan 8.290 nan 0.000 0.533 495 K N 0.255 120.744 120.400 0.148 0.000 2.444 495 K HA 0.327 4.648 4.320 0.001 0.000 0.193 495 K C 1.865 178.505 176.600 0.067 0.000 1.024 495 K CA 0.785 57.147 56.287 0.126 0.000 1.077 495 K CB -0.184 32.440 32.500 0.206 0.000 0.833 495 K HN 1.460 nan 8.250 nan 0.000 0.517 496 G N 0.872 109.708 108.800 0.060 0.000 2.143 496 G HA2 -0.264 3.696 3.960 0.001 0.000 0.248 496 G HA3 -0.264 3.696 3.960 0.001 0.000 0.248 496 G C 0.922 175.764 174.900 -0.097 0.000 0.991 496 G CA 0.434 45.534 45.100 0.000 0.000 0.689 496 G HN 0.151 nan 8.290 nan 0.000 0.522 497 V N -0.649 119.165 119.914 -0.168 0.000 2.302 497 V HA 0.143 4.264 4.120 0.001 0.000 0.243 497 V C 1.649 177.405 176.094 -0.562 0.000 1.036 497 V CA 1.595 63.579 62.300 -0.528 0.000 1.020 497 V CB -0.205 31.031 31.823 -0.980 0.000 0.657 497 V HN 0.458 nan 8.190 nan 0.000 0.453 498 W N -0.353 120.923 121.300 -0.040 0.000 2.576 498 W HA 0.594 5.254 4.660 0.001 0.000 0.360 498 W C 0.219 176.726 176.519 -0.019 0.000 1.109 498 W CA -0.658 56.667 57.345 -0.033 0.000 1.237 498 W CB 1.219 30.662 29.460 -0.028 0.000 1.369 498 W HN -0.048 nan 8.180 nan 0.000 0.609 499 K N 0.187 120.711 120.400 0.207 0.000 2.602 499 K HA 0.485 4.805 4.320 0.001 0.000 0.201 499 K C -0.257 176.402 176.600 0.100 0.000 1.070 499 K CA -0.022 56.333 56.287 0.113 0.000 1.026 499 K CB -0.932 31.606 32.500 0.063 0.000 1.534 499 K HN 1.282 nan 8.250 nan 0.000 0.560 500 Y N -2.846 117.518 120.300 0.107 0.000 3.016 500 Y HA 0.237 4.787 4.550 0.001 0.000 0.152 500 Y C 0.160 176.060 175.900 0.001 0.000 1.832 500 Y CA 0.935 59.069 58.100 0.056 0.000 0.998 500 Y CB -2.507 35.982 38.460 0.048 0.000 1.507 500 Y HN 2.357 nan 8.280 nan 0.000 0.378 501 E N 0.000 120.175 120.200 -0.042 0.000 2.725 501 E HA 0.000 4.350 4.350 0.001 0.000 0.291 501 E CA 0.000 56.280 56.400 -0.200 0.000 0.976 501 E CB 0.000 29.647 29.700 -0.088 0.000 0.812 501 E HN 0.000 nan 8.360 nan 0.000 0.440