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 1ahu_1_B DATA FIRST_RESID 6 DATA SEQUENCE EFRPLTLPPK LSLSDFNEFI QDIIRIVGSE NVEVISSKDQ IVDGSYMKPT DATA SEQUENCE HTHDPHHVMD QDYFLASAIV APRNVADVQS IVGLANKFSF PLWPISIGRN DATA SEQUENCE SGYGGAAPRV SGSVVLDMGK NMNRVLEVNV EGAYCVVEPG VTYHDLHNYL DATA SEQUENCE EANNLRDKLW LDVPDLGGGS VLGNAVERGV GYTPYGDHWM MHSGMEVVLA DATA SEQUENCE NGELLRTGMG ALPDPKRPET MGLKPEDQPW SKIAHLFPYG FGPYIDGLFS DATA SEQUENCE QSNMGIVTKI GIWLMPNPRG YQSYLITLPK DGDLKQAVDI IRPLRLGMAL DATA SEQUENCE QNVPTIRHIL LDAAVLGDKR SYSSRTEPLS DEELDKIAKQ LNLGRWNFYG DATA SEQUENCE ALYGPEPIRR VLWETIKDAF SAIPGVKFYF PEDTPENSVL RVRDKTMQGI DATA SEQUENCE PTYDELKWID WLPNGAHLFF SPIAKVSGED AMMQYAVTKK RCQEAGLDFI DATA SEQUENCE GTFTVGMREM HHIVCIVFNK KDLIQKRKVQ WLMRTLIDDC AANGWGEYRT DATA SEQUENCE HLAFMDQIME TYNWNNSSFL RFNEVLKNAV DPNGIIAPGK SGVWPSQYSH DATA SEQUENCE VTWKL 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 6 E HA 0.000 nan 4.350 nan 0.000 0.291 6 E C 0.000 176.907 176.600 0.512 0.000 1.382 6 E CA 0.000 56.618 56.400 0.363 0.000 0.976 6 E CB 0.000 29.891 29.700 0.319 0.000 0.812 7 F N 1.609 121.671 119.950 0.188 0.000 2.186 7 F HA 0.262 4.788 4.527 -0.001 0.000 0.299 7 F C 1.367 177.236 175.800 0.114 0.000 1.090 7 F CA 1.799 59.904 58.000 0.175 0.000 1.307 7 F CB 0.390 39.446 39.000 0.094 0.000 1.019 7 F HN 0.193 nan 8.300 nan 0.000 0.489 8 R N -0.148 120.489 120.500 0.229 0.000 2.850 8 R HA 0.259 4.598 4.340 -0.001 0.000 0.266 8 R C -2.842 173.407 176.300 -0.085 0.000 1.782 8 R CA -1.715 54.390 56.100 0.007 0.000 1.310 8 R CB 0.534 30.871 30.300 0.061 0.000 1.337 8 R HN -0.113 nan 8.270 nan 0.000 0.546 9 P HA 0.009 nan 4.420 nan 0.000 0.271 9 P C 0.598 177.810 177.300 -0.146 0.000 1.244 9 P CA -0.215 62.768 63.100 -0.194 0.000 0.793 9 P CB 1.078 32.522 31.700 -0.427 0.000 0.984 10 L N -1.038 120.145 121.223 -0.067 0.000 2.492 10 L HA 0.107 4.447 4.340 -0.001 0.000 0.223 10 L C 0.667 177.499 176.870 -0.062 0.000 1.132 10 L CA 1.044 55.853 54.840 -0.052 0.000 0.850 10 L CB -0.602 41.444 42.059 -0.021 0.000 0.966 10 L HN 0.393 nan 8.230 nan 0.000 0.454 11 T N 1.056 115.569 114.554 -0.069 0.000 3.071 11 T HA 0.491 4.840 4.350 -0.001 0.000 0.311 11 T C -0.407 174.260 174.700 -0.054 0.000 1.042 11 T CA -0.445 61.626 62.100 -0.048 0.000 1.028 11 T CB 2.480 71.352 68.868 0.007 0.000 1.068 11 T HN -0.108 nan 8.240 nan 0.000 0.451 12 L N 4.690 125.869 121.223 -0.073 0.000 2.360 12 L HA 0.560 4.899 4.340 -0.001 0.000 0.271 12 L C -1.842 175.003 176.870 -0.042 0.000 1.057 12 L CA -2.302 52.482 54.840 -0.093 0.000 0.803 12 L CB 1.121 43.108 42.059 -0.120 0.000 1.207 12 L HN 0.345 nan 8.230 nan 0.000 0.445 13 P HA 0.261 nan 4.420 nan 0.000 0.286 13 P C -2.695 174.574 177.300 -0.051 0.000 1.293 13 P CA -1.592 61.452 63.100 -0.095 0.000 0.770 13 P CB -0.471 30.954 31.700 -0.457 0.000 1.206 14 P HA 0.118 nan 4.420 nan 0.000 0.275 14 P C -0.079 177.191 177.300 -0.050 0.000 1.228 14 P CA 0.144 63.275 63.100 0.052 0.000 0.786 14 P CB 0.000 31.774 31.700 0.122 0.000 0.927 15 K N -1.343 119.038 120.400 -0.032 0.000 3.104 15 K HA -0.218 4.102 4.320 -0.001 0.000 0.285 15 K C 0.060 176.630 176.600 -0.051 0.000 1.136 15 K CA 0.487 56.749 56.287 -0.042 0.000 0.842 15 K CB -1.869 30.600 32.500 -0.052 0.000 1.217 15 K HN 0.229 nan 8.250 nan 0.000 0.467 16 L N 1.299 122.473 121.223 -0.082 0.000 2.312 16 L HA 0.246 4.586 4.340 -0.001 0.000 0.281 16 L C 0.566 177.416 176.870 -0.033 0.000 1.070 16 L CA 0.156 54.944 54.840 -0.087 0.000 0.805 16 L CB 1.435 43.356 42.059 -0.231 0.000 1.174 16 L HN 0.228 nan 8.230 nan 0.000 0.434 17 S N 3.678 119.390 115.700 0.019 0.000 2.632 17 S HA 0.226 4.696 4.470 -0.001 0.000 0.271 17 S C 0.941 175.582 174.600 0.069 0.000 1.260 17 S CA -0.602 57.620 58.200 0.036 0.000 1.010 17 S CB 1.019 64.250 63.200 0.052 0.000 0.965 17 S HN 0.681 nan 8.310 nan 0.000 0.534 18 L N 2.494 123.748 121.223 0.051 0.000 2.017 18 L HA -0.012 4.328 4.340 -0.001 0.000 0.208 18 L C 2.734 179.683 176.870 0.131 0.000 1.073 18 L CA 2.443 57.327 54.840 0.074 0.000 0.745 18 L CB -1.343 40.735 42.059 0.032 0.000 0.894 18 L HN 0.995 nan 8.230 nan 0.000 0.432 19 S N -0.795 114.961 115.700 0.092 0.000 2.359 19 S HA -0.228 4.242 4.470 -0.001 0.000 0.224 19 S C 1.740 176.417 174.600 0.128 0.000 1.035 19 S CA 1.681 59.933 58.200 0.087 0.000 1.018 19 S CB -0.504 62.740 63.200 0.072 0.000 0.876 19 S HN 0.604 nan 8.310 nan 0.000 0.448 20 D N 0.521 121.021 120.400 0.167 0.000 2.104 20 D HA -0.103 4.537 4.640 -0.001 0.000 0.194 20 D C 1.557 177.935 176.300 0.129 0.000 0.994 20 D CA 1.281 55.420 54.000 0.231 0.000 0.830 20 D CB -0.746 40.224 40.800 0.283 0.000 0.959 20 D HN 0.534 nan 8.370 nan 0.000 0.452 21 F N 2.035 121.997 119.950 0.020 0.000 2.063 21 F HA -0.267 4.259 4.527 -0.000 0.000 0.298 21 F C 1.944 177.791 175.800 0.078 0.000 1.109 21 F CA 1.552 59.588 58.000 0.060 0.000 1.212 21 F CB -0.301 38.737 39.000 0.064 0.000 0.973 21 F HN -0.107 nan 8.300 nan 0.000 0.480 22 N N 0.376 119.204 118.700 0.213 0.000 2.104 22 N HA -0.245 4.495 4.740 -0.001 0.000 0.190 22 N C 1.967 177.414 175.510 -0.105 0.000 1.024 22 N CA 1.734 54.804 53.050 0.034 0.000 0.853 22 N CB -0.492 38.001 38.487 0.010 0.000 1.008 22 N HN 0.587 nan 8.380 nan 0.000 0.424 23 E N 0.113 120.276 120.200 -0.061 0.000 2.028 23 E HA -0.152 4.197 4.350 -0.001 0.000 0.191 23 E C 1.916 178.382 176.600 -0.223 0.000 0.988 23 E CA 0.533 56.896 56.400 -0.062 0.000 0.799 23 E CB -0.156 29.612 29.700 0.113 0.000 0.755 23 E HN 0.205 nan 8.360 nan 0.000 0.447 24 F N 1.291 120.822 119.950 -0.699 0.000 2.043 24 F HA -0.276 4.250 4.527 -0.001 0.000 0.297 24 F C 2.198 177.655 175.800 -0.571 0.000 1.121 24 F CA 1.719 59.154 58.000 -0.941 0.000 1.199 24 F CB -0.499 37.883 39.000 -1.030 0.000 0.968 24 F HN 0.108 nan 8.300 nan 0.000 0.478 25 I N 0.763 121.149 120.570 -0.307 0.000 2.248 25 I HA -0.309 3.860 4.170 -0.001 0.000 0.248 25 I C 2.393 178.334 176.117 -0.294 0.000 1.107 25 I CA 1.516 62.578 61.300 -0.398 0.000 1.373 25 I CB -0.804 36.815 38.000 -0.636 0.000 1.055 25 I HN 0.305 nan 8.210 nan 0.000 0.418 26 Q N 0.244 119.904 119.800 -0.233 0.000 2.061 26 Q HA -0.228 4.111 4.340 -0.001 0.000 0.204 26 Q C 1.934 177.841 176.000 -0.155 0.000 0.984 26 Q CA 2.065 57.776 55.803 -0.154 0.000 0.846 26 Q CB -0.492 28.182 28.738 -0.106 0.000 0.902 26 Q HN 0.552 nan 8.270 nan 0.000 0.421 27 D N 0.175 120.460 120.400 -0.193 0.000 2.178 27 D HA -0.098 4.542 4.640 -0.001 0.000 0.201 27 D C 1.961 178.131 176.300 -0.216 0.000 0.980 27 D CA 0.704 54.602 54.000 -0.169 0.000 0.842 27 D CB -0.253 40.448 40.800 -0.166 0.000 0.948 27 D HN 0.292 nan 8.370 nan 0.000 0.472 28 I N 0.478 120.853 120.570 -0.325 0.000 2.315 28 I HA -0.193 3.976 4.170 -0.001 0.000 0.248 28 I C 2.263 178.269 176.117 -0.185 0.000 1.117 28 I CA 0.740 61.855 61.300 -0.308 0.000 1.404 28 I CB -0.209 37.521 38.000 -0.450 0.000 1.071 28 I HN -0.024 nan 8.210 nan 0.000 0.419 29 I N 0.718 121.198 120.570 -0.151 0.000 2.226 29 I HA -0.240 3.929 4.170 -0.001 0.000 0.245 29 I C 2.104 178.175 176.117 -0.076 0.000 1.100 29 I CA 1.223 62.469 61.300 -0.089 0.000 1.374 29 I CB -0.447 37.519 38.000 -0.058 0.000 1.057 29 I HN 0.142 nan 8.210 nan 0.000 0.413 30 R N 0.499 120.949 120.500 -0.083 0.000 2.425 30 R HA -0.028 4.312 4.340 -0.001 0.000 0.206 30 R C 1.059 177.320 176.300 -0.065 0.000 1.117 30 R CA 0.767 56.828 56.100 -0.064 0.000 1.098 30 R CB -0.152 30.113 30.300 -0.059 0.000 0.843 30 R HN 0.527 nan 8.270 nan 0.000 0.480 31 I N -2.584 117.940 120.570 -0.076 0.000 3.663 31 I HA -0.098 4.072 4.170 -0.001 0.000 0.263 31 I C 1.569 177.649 176.117 -0.061 0.000 1.104 31 I CA 0.095 61.353 61.300 -0.069 0.000 1.426 31 I CB 0.086 38.033 38.000 -0.087 0.000 1.771 31 I HN -0.095 nan 8.210 nan 0.000 0.402 32 V N 0.230 120.101 119.914 -0.073 0.000 3.510 32 V HA 0.468 4.587 4.120 -0.001 0.000 0.270 32 V C 0.865 176.932 176.094 -0.045 0.000 1.201 32 V CA 0.430 62.695 62.300 -0.060 0.000 1.166 32 V CB -1.351 30.430 31.823 -0.070 0.000 0.825 32 V HN 0.638 nan 8.190 nan 0.000 0.484 33 G N 0.793 109.567 108.800 -0.043 0.000 2.722 33 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.686 33 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.686 33 G C 0.374 175.259 174.900 -0.025 0.000 1.282 33 G CA 0.166 45.249 45.100 -0.028 0.000 0.817 33 G HN 1.327 nan 8.290 nan 0.000 0.605 34 S N 0.004 115.696 115.700 -0.013 0.000 2.440 34 S HA -0.100 4.370 4.470 -0.001 0.000 0.238 34 S C 1.665 176.266 174.600 0.003 0.000 1.010 34 S CA 1.806 60.005 58.200 -0.001 0.000 0.972 34 S CB -0.004 63.201 63.200 0.008 0.000 0.774 34 S HN 0.681 nan 8.310 nan 0.000 0.501 35 E N 2.178 122.376 120.200 -0.002 0.000 2.150 35 E HA 0.025 4.375 4.350 -0.001 0.000 0.193 35 E C 1.247 177.846 176.600 -0.002 0.000 0.985 35 E CA 0.571 56.971 56.400 0.001 0.000 0.814 35 E CB -0.447 29.253 29.700 -0.001 0.000 0.752 35 E HN 0.617 nan 8.360 nan 0.000 0.466 36 N N 0.531 119.224 118.700 -0.013 0.000 2.398 36 N HA 0.005 4.745 4.740 -0.001 0.000 0.188 36 N C -0.188 175.309 175.510 -0.021 0.000 1.122 36 N CA 0.191 53.229 53.050 -0.021 0.000 0.866 36 N CB 1.201 39.668 38.487 -0.033 0.000 0.970 36 N HN -0.070 nan 8.380 nan 0.000 0.462 37 V N 0.329 120.238 119.914 -0.008 0.000 2.789 37 V HA 0.358 4.478 4.120 -0.001 0.000 0.311 37 V C -0.306 175.808 176.094 0.034 0.000 1.073 37 V CA -0.959 61.342 62.300 0.002 0.000 0.921 37 V CB 2.998 34.814 31.823 -0.013 0.000 1.009 37 V HN -0.034 nan 8.190 nan 0.000 0.426 38 E N 2.481 122.714 120.200 0.055 0.000 2.244 38 E HA 0.566 4.916 4.350 -0.001 0.000 0.260 38 E C -1.813 174.855 176.600 0.114 0.000 0.884 38 E CA -0.428 56.019 56.400 0.078 0.000 0.777 38 E CB 2.238 31.983 29.700 0.076 0.000 1.197 38 E HN 0.499 nan 8.360 nan 0.000 0.416 39 V N 6.250 126.246 119.914 0.137 0.000 2.465 39 V HA 0.242 4.362 4.120 -0.001 0.000 0.279 39 V C 0.515 176.703 176.094 0.156 0.000 1.045 39 V CA -0.327 62.094 62.300 0.200 0.000 0.938 39 V CB 1.270 33.268 31.823 0.292 0.000 0.986 39 V HN 0.699 nan 8.190 nan 0.000 0.467 40 I N 4.617 125.281 120.570 0.157 0.000 2.224 40 I HA 0.116 4.286 4.170 -0.001 0.000 0.293 40 I C 1.319 177.475 176.117 0.065 0.000 1.155 40 I CA 0.245 61.608 61.300 0.105 0.000 1.297 40 I CB 0.428 38.493 38.000 0.109 0.000 1.487 40 I HN 0.649 nan 8.210 nan 0.000 0.564 41 S N 2.036 117.773 115.700 0.062 0.000 2.414 41 S HA -0.020 4.450 4.470 -0.001 0.000 0.227 41 S C 0.818 175.430 174.600 0.019 0.000 1.022 41 S CA 0.634 58.856 58.200 0.037 0.000 0.958 41 S CB 0.075 63.306 63.200 0.053 0.000 0.797 41 S HN 0.766 nan 8.310 nan 0.000 0.493 42 S N -0.472 115.243 115.700 0.025 0.000 2.579 42 S HA 0.464 4.933 4.470 -0.001 0.000 0.272 42 S C -0.053 174.559 174.600 0.020 0.000 1.141 42 S CA -0.969 57.240 58.200 0.015 0.000 0.843 42 S CB 1.348 64.553 63.200 0.009 0.000 1.122 42 S HN 0.041 nan 8.310 nan 0.000 0.468 43 K N 0.368 120.775 120.400 0.011 0.000 2.293 43 K HA -0.138 4.182 4.320 -0.001 0.000 0.204 43 K C 0.180 176.792 176.600 0.019 0.000 1.045 43 K CA 1.603 57.897 56.287 0.011 0.000 0.933 43 K CB -0.528 31.972 32.500 -0.001 0.000 0.736 43 K HN 0.572 nan 8.250 nan 0.000 0.463 44 D N 1.504 121.916 120.400 0.021 0.000 2.429 44 D HA -0.168 4.471 4.640 -0.001 0.000 0.237 44 D C 1.627 177.950 176.300 0.039 0.000 1.045 44 D CA 0.830 54.845 54.000 0.025 0.000 0.974 44 D CB -0.222 40.591 40.800 0.021 0.000 0.871 44 D HN 0.540 nan 8.370 nan 0.000 0.525 45 Q N -0.050 119.781 119.800 0.051 0.000 2.432 45 Q HA -0.018 4.321 4.340 -0.001 0.000 0.205 45 Q C 1.917 177.985 176.000 0.113 0.000 0.945 45 Q CA 0.140 55.994 55.803 0.085 0.000 0.924 45 Q CB -0.298 28.503 28.738 0.104 0.000 1.016 45 Q HN 0.292 nan 8.270 nan 0.000 0.503 46 I N 1.636 122.241 120.570 0.058 0.000 2.450 46 I HA -0.235 3.935 4.170 -0.001 0.000 0.260 46 I C 0.497 176.653 176.117 0.066 0.000 1.145 46 I CA 0.618 61.933 61.300 0.025 0.000 1.413 46 I CB -0.496 37.515 38.000 0.019 0.000 1.090 46 I HN 0.057 nan 8.210 nan 0.000 0.445 47 V N 2.783 122.753 119.914 0.094 0.000 2.416 47 V HA -0.104 4.015 4.120 -0.001 0.000 0.267 47 V C 1.224 177.416 176.094 0.163 0.000 1.007 47 V CA 0.518 62.874 62.300 0.093 0.000 1.102 47 V CB 0.136 31.993 31.823 0.056 0.000 1.035 47 V HN 0.259 nan 8.190 nan 0.000 0.473 48 D N 3.279 123.786 120.400 0.179 0.000 2.123 48 D HA 0.157 4.796 4.640 -0.001 0.000 0.200 48 D C 1.258 177.623 176.300 0.108 0.000 0.976 48 D CA 1.696 55.862 54.000 0.278 0.000 0.831 48 D CB 0.735 41.684 40.800 0.248 0.000 0.974 48 D HN 0.811 nan 8.370 nan 0.000 0.469 49 G N -0.364 108.473 108.800 0.062 0.000 2.204 49 G HA2 0.133 4.093 3.960 -0.001 0.000 0.153 49 G HA3 0.133 4.093 3.960 -0.001 0.000 0.153 49 G C -1.006 173.911 174.900 0.030 0.000 1.295 49 G CA 0.190 45.293 45.100 0.005 0.000 1.257 49 G HN 0.719 nan 8.290 nan 0.000 0.495 50 S N -2.775 112.945 115.700 0.034 0.000 2.701 50 S HA 0.421 4.891 4.470 -0.001 0.000 0.267 50 S C -0.066 174.588 174.600 0.089 0.000 1.034 50 S CA 0.590 58.830 58.200 0.066 0.000 0.867 50 S CB 0.634 63.854 63.200 0.035 0.000 1.123 50 S HN 2.144 nan 8.310 nan 0.000 0.470 51 Y N 0.826 121.128 120.300 0.003 0.000 2.448 51 Y HA 0.339 4.889 4.550 -0.001 0.000 0.289 51 Y C 2.299 178.182 175.900 -0.027 0.000 1.114 51 Y CA 1.337 59.444 58.100 0.011 0.000 1.235 51 Y CB -0.024 38.449 38.460 0.021 0.000 1.045 51 Y HN 0.742 nan 8.280 nan 0.000 0.554 52 M N 0.396 120.032 119.600 0.060 0.000 2.159 52 M HA -0.103 4.377 4.480 -0.001 0.000 0.263 52 M C -0.380 175.856 176.300 -0.107 0.000 1.063 52 M CA 1.882 57.153 55.300 -0.048 0.000 1.110 52 M CB 0.170 32.748 32.600 -0.036 0.000 1.374 52 M HN -0.002 nan 8.290 nan 0.000 0.411 53 K N 0.827 121.173 120.400 -0.089 0.000 2.764 53 K HA 0.350 4.669 4.320 -0.001 0.000 0.239 53 K C -2.631 173.885 176.600 -0.140 0.000 1.048 53 K CA -1.629 54.596 56.287 -0.103 0.000 1.057 53 K CB 1.588 34.049 32.500 -0.066 0.000 1.251 53 K HN 0.004 nan 8.250 nan 0.000 0.524 54 P HA -0.034 nan 4.420 nan 0.000 0.269 54 P C -0.196 176.781 177.300 -0.540 0.000 1.215 54 P CA -0.197 62.721 63.100 -0.304 0.000 0.780 54 P CB 0.737 32.273 31.700 -0.273 0.000 0.898 55 T N 0.703 114.989 114.554 -0.447 0.000 2.845 55 T HA 0.223 4.572 4.350 -0.001 0.000 0.288 55 T C 0.568 174.960 174.700 -0.514 0.000 0.980 55 T CA -0.083 61.737 62.100 -0.465 0.000 1.071 55 T CB 0.015 68.608 68.868 -0.457 0.000 0.941 55 T HN 0.375 nan 8.240 nan 0.000 0.487 56 H N 1.260 120.260 119.070 -0.117 0.000 2.648 56 H HA 0.133 4.688 4.556 -0.001 0.000 0.265 56 H C 2.318 177.613 175.328 -0.055 0.000 0.961 56 H CA 0.774 56.786 56.048 -0.060 0.000 1.185 56 H CB 0.476 30.235 29.762 -0.005 0.000 1.449 56 H HN 0.710 nan 8.280 nan 0.000 0.523 57 T N -0.962 113.578 114.554 -0.023 0.000 2.867 57 T HA -0.135 4.214 4.350 -0.001 0.000 0.268 57 T C 0.862 175.610 174.700 0.081 0.000 1.057 57 T CA 1.383 63.502 62.100 0.031 0.000 1.136 57 T CB -0.165 68.725 68.868 0.037 0.000 0.874 57 T HN 0.643 nan 8.240 nan 0.000 0.466 58 H N -1.547 117.564 119.070 0.068 0.000 3.054 58 H HA 0.461 5.017 4.556 -0.001 0.000 0.271 58 H C -1.812 173.563 175.328 0.079 0.000 1.551 58 H CA -0.833 55.263 56.048 0.080 0.000 1.196 58 H CB 0.366 30.174 29.762 0.078 0.000 1.867 58 H HN 0.037 nan 8.280 nan 0.000 0.637 59 D N 1.964 122.665 120.400 0.501 0.000 2.352 59 D HA 0.213 4.853 4.640 -0.001 0.000 0.245 59 D C -1.701 174.969 176.300 0.617 0.000 1.224 59 D CA -2.300 51.960 54.000 0.433 0.000 0.879 59 D CB 1.481 42.560 40.800 0.465 0.000 1.057 59 D HN 0.168 nan 8.370 nan 0.000 0.491 60 P HA -0.107 nan 4.420 nan 0.000 0.212 60 P C -0.060 177.613 177.300 0.621 0.000 1.180 60 P CA 1.005 64.366 63.100 0.436 0.000 0.906 60 P CB -0.004 31.796 31.700 0.166 0.000 0.782 61 H N 1.058 120.373 119.070 0.410 0.000 3.291 61 H HA 0.060 4.616 4.556 -0.001 0.000 0.256 61 H C 0.539 176.147 175.328 0.466 0.000 1.315 61 H CA -0.283 55.953 56.048 0.313 0.000 1.521 61 H CB -1.727 28.192 29.762 0.262 0.000 1.621 61 H HN 0.424 nan 8.280 nan 0.000 0.498 62 H N 1.025 120.342 119.070 0.411 0.000 2.604 62 H HA 0.160 4.716 4.556 -0.001 0.000 0.306 62 H C 1.087 176.622 175.328 0.345 0.000 1.075 62 H CA -0.592 55.670 56.048 0.356 0.000 1.357 62 H CB 1.150 31.039 29.762 0.212 0.000 1.426 62 H HN 0.365 nan 8.280 nan 0.000 0.470 63 V N 1.595 121.676 119.914 0.278 0.000 2.492 63 V HA 0.010 4.129 4.120 -0.001 0.000 0.241 63 V C 1.125 177.237 176.094 0.030 0.000 1.041 63 V CA 0.415 62.736 62.300 0.035 0.000 1.057 63 V CB -0.099 31.655 31.823 -0.115 0.000 0.711 63 V HN 0.446 nan 8.190 nan 0.000 0.468 64 M N 1.037 120.670 119.600 0.054 0.000 2.088 64 M HA 0.360 4.839 4.480 -0.001 0.000 0.197 64 M C -0.118 176.264 176.300 0.136 0.000 1.105 64 M CA -0.338 54.938 55.300 -0.039 0.000 1.275 64 M CB -0.824 31.520 32.600 -0.426 0.000 1.111 64 M HN 0.238 nan 8.290 nan 0.000 0.664 65 D N 1.203 121.737 120.400 0.222 0.000 2.443 65 D HA 0.007 4.647 4.640 -0.001 0.000 0.239 65 D C 0.891 177.313 176.300 0.203 0.000 1.136 65 D CA 0.123 54.246 54.000 0.206 0.000 0.879 65 D CB 0.502 41.421 40.800 0.199 0.000 1.195 65 D HN 0.443 nan 8.370 nan 0.000 0.443 66 Q N 1.438 121.329 119.800 0.153 0.000 2.045 66 Q HA -0.259 4.081 4.340 -0.001 0.000 0.206 66 Q C 0.731 176.689 176.000 -0.070 0.000 0.991 66 Q CA 2.077 57.856 55.803 -0.041 0.000 0.851 66 Q CB 0.000 28.460 28.738 -0.463 0.000 0.911 66 Q HN 0.634 nan 8.270 nan 0.000 0.418 67 D N -0.955 119.410 120.400 -0.058 0.000 2.392 67 D HA -0.179 4.461 4.640 -0.001 0.000 0.228 67 D C 1.358 177.667 176.300 0.015 0.000 1.003 67 D CA 0.412 54.395 54.000 -0.027 0.000 0.917 67 D CB -0.463 40.309 40.800 -0.046 0.000 0.890 67 D HN 0.341 nan 8.370 nan 0.000 0.532 68 Y N 0.871 121.126 120.300 -0.074 0.000 2.030 68 Y HA -0.075 4.474 4.550 -0.001 0.000 0.274 68 Y C 0.303 176.046 175.900 -0.261 0.000 1.153 68 Y CA 1.109 59.080 58.100 -0.214 0.000 1.115 68 Y CB -0.310 37.944 38.460 -0.344 0.000 0.969 68 Y HN -0.091 nan 8.280 nan 0.000 0.488 69 F N 0.968 121.143 119.950 0.374 0.000 2.371 69 F HA 0.461 4.987 4.527 -0.000 0.000 0.363 69 F C -0.527 175.346 175.800 0.121 0.000 1.122 69 F CA -0.605 57.527 58.000 0.221 0.000 1.129 69 F CB 1.034 40.106 39.000 0.120 0.000 1.173 69 F HN -0.117 nan 8.300 nan 0.000 0.489 70 L N 2.786 124.148 121.223 0.231 0.000 2.505 70 L HA 0.805 5.144 4.340 -0.001 0.000 0.259 70 L C -0.541 176.417 176.870 0.147 0.000 0.952 70 L CA -0.720 54.225 54.840 0.174 0.000 0.840 70 L CB 1.587 43.729 42.059 0.138 0.000 1.358 70 L HN 0.598 nan 8.230 nan 0.000 0.409 71 A N 1.941 124.847 122.820 0.143 0.000 2.429 71 A HA 0.453 4.773 4.320 -0.001 0.000 0.242 71 A C 1.001 178.697 177.584 0.186 0.000 1.088 71 A CA 0.597 52.734 52.037 0.167 0.000 0.784 71 A CB 0.037 19.130 19.000 0.156 0.000 1.038 71 A HN 1.182 nan 8.150 nan 0.000 0.501 72 S N -0.232 115.624 115.700 0.260 0.000 2.499 72 S HA 0.565 5.034 4.470 -0.001 0.000 0.225 72 S C 0.586 175.375 174.600 0.314 0.000 1.050 72 S CA 0.712 59.084 58.200 0.286 0.000 0.928 72 S CB -0.182 63.325 63.200 0.512 0.000 0.803 72 S HN 2.218 nan 8.310 nan 0.000 0.506 73 A N 0.157 123.145 122.820 0.280 0.000 2.540 73 A HA 0.733 5.052 4.320 -0.001 0.000 0.291 73 A C -1.910 175.754 177.584 0.133 0.000 1.083 73 A CA -0.915 51.253 52.037 0.218 0.000 0.650 73 A CB 0.322 19.479 19.000 0.262 0.000 1.292 73 A HN 0.315 nan 8.150 nan 0.000 0.435 74 I N 0.048 120.675 120.570 0.096 0.000 2.608 74 I HA 0.628 4.798 4.170 -0.001 0.000 0.295 74 I C -1.104 175.021 176.117 0.013 0.000 1.049 74 I CA -1.119 60.216 61.300 0.058 0.000 1.063 74 I CB 2.250 40.289 38.000 0.065 0.000 1.248 74 I HN 0.363 nan 8.210 nan 0.000 0.424 75 V N 3.738 123.643 119.914 -0.015 0.000 2.638 75 V HA 0.550 4.670 4.120 -0.001 0.000 0.306 75 V C -0.046 176.014 176.094 -0.057 0.000 1.052 75 V CA -0.689 61.586 62.300 -0.042 0.000 0.885 75 V CB 1.883 33.667 31.823 -0.064 0.000 0.999 75 V HN 0.824 nan 8.190 nan 0.000 0.424 76 A N 7.065 129.852 122.820 -0.055 0.000 2.506 76 A HA 0.698 5.018 4.320 -0.001 0.000 0.320 76 A C -2.462 175.087 177.584 -0.058 0.000 1.424 76 A CA -1.459 50.541 52.037 -0.060 0.000 1.044 76 A CB -0.086 18.886 19.000 -0.047 0.000 1.140 76 A HN 0.539 nan 8.150 nan 0.000 0.538 77 P HA 0.181 nan 4.420 nan 0.000 0.271 77 P C 0.311 177.582 177.300 -0.049 0.000 1.216 77 P CA -0.044 63.021 63.100 -0.058 0.000 0.771 77 P CB 0.962 32.627 31.700 -0.058 0.000 0.864 78 R N 1.955 122.429 120.500 -0.043 0.000 2.161 78 R HA 0.075 4.415 4.340 -0.001 0.000 0.213 78 R C 0.996 177.279 176.300 -0.030 0.000 1.055 78 R CA 0.814 56.894 56.100 -0.034 0.000 0.996 78 R CB -0.097 30.184 30.300 -0.031 0.000 0.901 78 R HN 0.655 nan 8.270 nan 0.000 0.456 79 N N -2.433 116.248 118.700 -0.033 0.000 2.961 79 N HA -0.006 4.734 4.740 -0.001 0.000 0.245 79 N C 0.408 175.898 175.510 -0.034 0.000 1.404 79 N CA -0.476 52.556 53.050 -0.029 0.000 0.880 79 N CB 1.224 39.697 38.487 -0.025 0.000 1.461 79 N HN -0.303 nan 8.380 nan 0.000 0.510 80 V N 0.792 120.687 119.914 -0.031 0.000 2.317 80 V HA -0.289 3.831 4.120 -0.001 0.000 0.251 80 V C 2.708 178.778 176.094 -0.039 0.000 1.065 80 V CA 2.973 65.251 62.300 -0.036 0.000 1.049 80 V CB -1.261 30.541 31.823 -0.036 0.000 0.651 80 V HN 0.873 nan 8.190 nan 0.000 0.450 81 A N -0.355 122.443 122.820 -0.037 0.000 1.940 81 A HA -0.283 4.036 4.320 -0.001 0.000 0.219 81 A C 1.984 179.543 177.584 -0.042 0.000 1.176 81 A CA 2.145 54.160 52.037 -0.038 0.000 0.631 81 A CB -0.621 18.358 19.000 -0.034 0.000 0.814 81 A HN 0.556 nan 8.150 nan 0.000 0.446 82 D N -0.264 120.109 120.400 -0.044 0.000 2.092 82 D HA -0.117 4.522 4.640 -0.001 0.000 0.193 82 D C 2.098 178.364 176.300 -0.056 0.000 0.994 82 D CA 1.540 55.508 54.000 -0.053 0.000 0.828 82 D CB -0.614 40.154 40.800 -0.054 0.000 0.963 82 D HN 0.178 nan 8.370 nan 0.000 0.450 83 V N 1.014 120.897 119.914 -0.051 0.000 2.324 83 V HA -0.304 3.815 4.120 -0.001 0.000 0.250 83 V C 2.498 178.567 176.094 -0.041 0.000 1.060 83 V CA 1.789 64.060 62.300 -0.048 0.000 1.042 83 V CB -0.567 31.228 31.823 -0.047 0.000 0.650 83 V HN 0.271 nan 8.190 nan 0.000 0.450 84 Q N -0.374 119.403 119.800 -0.040 0.000 2.096 84 Q HA -0.194 4.146 4.340 -0.001 0.000 0.204 84 Q C 2.487 178.469 176.000 -0.030 0.000 0.982 84 Q CA 2.003 57.787 55.803 -0.032 0.000 0.850 84 Q CB -0.281 28.437 28.738 -0.033 0.000 0.901 84 Q HN 0.648 nan 8.270 nan 0.000 0.422 85 S N 0.728 116.402 115.700 -0.042 0.000 2.368 85 S HA -0.085 4.385 4.470 -0.001 0.000 0.224 85 S C 1.946 176.511 174.600 -0.059 0.000 1.029 85 S CA 0.849 59.020 58.200 -0.049 0.000 0.988 85 S CB -0.147 63.016 63.200 -0.062 0.000 0.838 85 S HN 0.299 nan 8.310 nan 0.000 0.462 86 I N 1.033 121.557 120.570 -0.076 0.000 2.315 86 I HA -0.116 4.053 4.170 -0.001 0.000 0.248 86 I C 2.191 178.305 176.117 -0.005 0.000 1.117 86 I CA 0.776 62.017 61.300 -0.098 0.000 1.404 86 I CB -0.476 37.468 38.000 -0.094 0.000 1.071 86 I HN 0.145 nan 8.210 nan 0.000 0.419 87 V N 1.294 121.214 119.914 0.009 0.000 2.332 87 V HA -0.254 3.865 4.120 -0.001 0.000 0.248 87 V C 2.619 178.757 176.094 0.073 0.000 1.055 87 V CA 2.307 64.635 62.300 0.047 0.000 1.038 87 V CB -1.287 30.549 31.823 0.022 0.000 0.651 87 V HN 0.577 nan 8.190 nan 0.000 0.450 88 G N -0.393 108.431 108.800 0.040 0.000 2.446 88 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.217 88 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.217 88 G C 1.557 176.521 174.900 0.108 0.000 1.168 88 G CA 1.170 46.300 45.100 0.050 0.000 0.771 88 G HN 0.476 nan 8.290 nan 0.000 0.551 89 L N 0.595 121.881 121.223 0.104 0.000 2.027 89 L HA -0.025 4.314 4.340 -0.001 0.000 0.206 89 L C 3.444 180.653 176.870 0.567 0.000 1.074 89 L CA 0.981 55.964 54.840 0.239 0.000 0.745 89 L CB -0.528 41.431 42.059 -0.167 0.000 0.898 89 L HN 0.307 nan 8.230 nan 0.000 0.433 90 A N 0.465 123.578 122.820 0.488 0.000 1.940 90 A HA -0.259 4.060 4.320 -0.001 0.000 0.219 90 A C 1.997 179.828 177.584 0.412 0.000 1.176 90 A CA 2.382 54.782 52.037 0.603 0.000 0.631 90 A CB -0.832 18.389 19.000 0.367 0.000 0.814 90 A HN 0.521 nan 8.150 nan 0.000 0.446 91 N N -0.977 117.883 118.700 0.267 0.000 2.216 91 N HA -0.104 4.636 4.740 -0.001 0.000 0.183 91 N C 1.822 177.421 175.510 0.147 0.000 1.017 91 N CA 1.251 54.407 53.050 0.176 0.000 0.861 91 N CB -0.128 38.420 38.487 0.101 0.000 0.986 91 N HN 0.584 nan 8.380 nan 0.000 0.428 92 K N 0.406 120.898 120.400 0.153 0.000 2.032 92 K HA -0.113 4.207 4.320 -0.001 0.000 0.209 92 K C 0.681 177.168 176.600 -0.189 0.000 1.048 92 K CA 1.398 57.646 56.287 -0.064 0.000 0.927 92 K CB -0.066 32.336 32.500 -0.162 0.000 0.712 92 K HN 0.130 nan 8.250 nan 0.000 0.441 93 F N 0.666 120.752 119.950 0.227 0.000 2.765 93 F HA 0.192 4.719 4.527 -0.001 0.000 0.302 93 F C 0.653 176.525 175.800 0.121 0.000 1.111 93 F CA 0.127 58.247 58.000 0.200 0.000 1.359 93 F CB 0.400 39.601 39.000 0.336 0.000 1.097 93 F HN -0.100 nan 8.300 nan 0.000 0.577 94 S N 0.040 115.913 115.700 0.290 0.000 3.698 94 S HA -0.252 4.218 4.470 -0.001 0.000 0.338 94 S C -0.115 174.589 174.600 0.172 0.000 1.089 94 S CA -0.005 58.305 58.200 0.184 0.000 0.991 94 S CB -2.239 61.012 63.200 0.085 0.000 0.909 94 S HN 0.299 nan 8.310 nan 0.000 0.485 95 F N 3.551 123.556 119.950 0.091 0.000 2.411 95 F HA 0.569 5.095 4.527 -0.001 0.000 0.350 95 F C -2.099 173.724 175.800 0.039 0.000 1.114 95 F CA -2.141 55.793 58.000 -0.109 0.000 1.135 95 F CB 1.015 39.597 39.000 -0.697 0.000 1.120 95 F HN -0.056 nan 8.300 nan 0.000 0.495 96 P HA 0.397 nan 4.420 nan 0.000 0.285 96 P C -1.183 176.331 177.300 0.357 0.000 1.269 96 P CA -0.452 62.859 63.100 0.352 0.000 0.844 96 P CB 1.733 33.592 31.700 0.265 0.000 1.094 97 L N 0.497 121.858 121.223 0.231 0.000 2.334 97 L HA 0.552 4.891 4.340 -0.001 0.000 0.270 97 L C -0.117 176.885 176.870 0.221 0.000 1.018 97 L CA -0.561 54.392 54.840 0.187 0.000 0.811 97 L CB 1.788 43.907 42.059 0.100 0.000 1.271 97 L HN 0.434 nan 8.230 nan 0.000 0.443 98 W N 4.864 126.173 121.300 0.016 0.000 2.563 98 W HA 0.328 4.988 4.660 -0.000 0.000 0.301 98 W C -2.750 173.755 176.519 -0.023 0.000 1.006 98 W CA -1.648 55.692 57.345 -0.009 0.000 1.382 98 W CB 2.020 31.489 29.460 0.014 0.000 1.262 98 W HN 0.188 nan 8.180 nan 0.000 0.403 99 P HA 0.319 nan 4.420 nan 0.000 0.286 99 P C -0.597 176.519 177.300 -0.306 0.000 1.269 99 P CA 0.243 63.174 63.100 -0.283 0.000 0.787 99 P CB 1.727 33.255 31.700 -0.288 0.000 0.920 100 I N -1.246 119.242 120.570 -0.136 0.000 2.913 100 I HA 0.474 4.644 4.170 -0.001 0.000 0.302 100 I C 0.179 176.250 176.117 -0.077 0.000 1.246 100 I CA -0.796 60.454 61.300 -0.082 0.000 1.010 100 I CB 1.941 39.968 38.000 0.044 0.000 1.259 100 I HN -0.018 nan 8.210 nan 0.000 0.434 101 S N 2.856 118.522 115.700 -0.055 0.000 2.370 101 S HA 0.245 4.714 4.470 -0.001 0.000 0.214 101 S C 1.407 175.989 174.600 -0.029 0.000 1.033 101 S CA 0.621 58.790 58.200 -0.051 0.000 0.941 101 S CB 0.048 63.223 63.200 -0.041 0.000 0.886 101 S HN 0.628 nan 8.310 nan 0.000 0.521 102 I N 0.141 120.717 120.570 0.010 0.000 2.490 102 I HA 0.223 4.392 4.170 -0.001 0.000 0.234 102 I C 2.135 178.325 176.117 0.121 0.000 1.066 102 I CA 1.747 63.075 61.300 0.047 0.000 1.405 102 I CB -1.333 36.694 38.000 0.045 0.000 1.191 102 I HN 0.548 nan 8.210 nan 0.000 0.433 103 G N 0.138 109.021 108.800 0.138 0.000 2.813 103 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.194 103 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.194 103 G C 1.131 176.090 174.900 0.099 0.000 1.010 103 G CA -0.123 45.105 45.100 0.213 0.000 0.771 103 G HN 0.216 nan 8.290 nan 0.000 0.485 104 R N 0.670 121.215 120.500 0.074 0.000 2.339 104 R HA 0.113 4.452 4.340 -0.001 0.000 0.199 104 R C 1.265 177.672 176.300 0.177 0.000 1.018 104 R CA 0.381 56.538 56.100 0.096 0.000 1.036 104 R CB -0.194 30.133 30.300 0.044 0.000 0.899 104 R HN 0.189 nan 8.270 nan 0.000 0.473 105 N N 1.225 120.021 118.700 0.160 0.000 2.626 105 N HA -0.038 4.702 4.740 -0.001 0.000 0.226 105 N C -0.836 174.801 175.510 0.211 0.000 1.376 105 N CA 0.203 53.375 53.050 0.203 0.000 0.894 105 N CB -0.116 38.468 38.487 0.162 0.000 1.218 105 N HN 0.029 nan 8.380 nan 0.000 0.492 106 S N -0.766 115.025 115.700 0.151 0.000 2.552 106 S HA 0.335 4.805 4.470 -0.001 0.000 0.289 106 S C 1.428 176.010 174.600 -0.030 0.000 1.304 106 S CA 0.299 58.474 58.200 -0.041 0.000 1.063 106 S CB 0.716 63.945 63.200 0.048 0.000 0.848 106 S HN 0.564 nan 8.310 nan 0.000 0.499 107 G N 1.449 110.200 108.800 -0.083 0.000 2.176 107 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.253 107 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.253 107 G C 0.131 174.980 174.900 -0.085 0.000 0.979 107 G CA 0.370 45.407 45.100 -0.106 0.000 0.641 107 G HN 0.733 nan 8.290 nan 0.000 0.530 108 Y N -1.552 118.900 120.300 0.253 0.000 2.563 108 Y HA 0.438 4.988 4.550 -0.001 0.000 0.273 108 Y C 1.985 177.706 175.900 -0.299 0.000 1.034 108 Y CA 0.556 58.728 58.100 0.120 0.000 1.217 108 Y CB 1.043 39.556 38.460 0.088 0.000 1.380 108 Y HN 0.957 nan 8.280 nan 0.000 0.568 109 G N -0.908 107.860 108.800 -0.054 0.000 2.624 109 G HA2 0.191 4.151 3.960 -0.001 0.000 0.190 109 G HA3 0.191 4.151 3.960 -0.001 0.000 0.190 109 G C 0.940 175.827 174.900 -0.022 0.000 1.008 109 G CA 0.167 45.138 45.100 -0.214 0.000 0.731 109 G HN 0.951 nan 8.290 nan 0.000 0.478 110 G N 0.466 109.287 108.800 0.034 0.000 2.550 110 G HA2 0.147 4.107 3.960 -0.001 0.000 0.277 110 G HA3 0.147 4.107 3.960 -0.001 0.000 0.277 110 G C 1.354 176.316 174.900 0.103 0.000 1.190 110 G CA 2.228 47.364 45.100 0.060 0.000 0.971 110 G HN 1.879 nan 8.290 nan 0.000 0.559 111 A N 0.429 123.311 122.820 0.103 0.000 2.206 111 A HA 0.641 4.960 4.320 -0.001 0.000 0.211 111 A C 1.760 179.378 177.584 0.056 0.000 1.158 111 A CA 1.771 53.912 52.037 0.174 0.000 0.761 111 A CB -0.767 18.394 19.000 0.268 0.000 0.801 111 A HN 2.447 nan 8.150 nan 0.000 0.473 112 A N 1.737 124.537 122.820 -0.033 0.000 2.520 112 A HA 0.476 4.795 4.320 -0.001 0.000 0.245 112 A C -2.284 174.939 177.584 -0.602 0.000 1.072 112 A CA -0.934 51.027 52.037 -0.126 0.000 0.761 112 A CB -0.183 18.826 19.000 0.016 0.000 1.004 112 A HN 0.308 nan 8.150 nan 0.000 0.499 113 P HA 0.167 nan 4.420 nan 0.000 0.282 113 P C 0.643 177.386 177.300 -0.929 0.000 1.249 113 P CA -0.584 61.658 63.100 -1.431 0.000 0.806 113 P CB 1.024 32.458 31.700 -0.443 0.000 0.984 114 R N 2.190 121.925 120.500 -1.275 0.000 2.080 114 R HA -0.026 4.314 4.340 -0.001 0.000 0.236 114 R C 0.125 176.540 176.300 0.190 0.000 1.137 114 R CA 1.337 57.177 56.100 -0.433 0.000 0.943 114 R CB -1.042 29.090 30.300 -0.280 0.000 0.846 114 R HN 0.353 nan 8.270 nan 0.000 0.431 115 V N 2.024 121.986 119.914 0.081 0.000 2.432 115 V HA 0.131 4.251 4.120 -0.001 0.000 0.275 115 V C 0.145 176.383 176.094 0.240 0.000 1.043 115 V CA -0.301 62.136 62.300 0.227 0.000 0.925 115 V CB 1.521 33.327 31.823 -0.027 0.000 0.985 115 V HN 0.247 nan 8.190 nan 0.000 0.466 116 S N 3.356 119.261 115.700 0.342 0.000 2.585 116 S HA 0.481 4.950 4.470 -0.001 0.000 0.273 116 S C 1.284 176.009 174.600 0.207 0.000 1.339 116 S CA 0.390 58.730 58.200 0.233 0.000 1.028 116 S CB 1.062 64.363 63.200 0.169 0.000 0.906 116 S HN 1.537 nan 8.310 nan 0.000 0.528 117 G N 1.262 110.171 108.800 0.181 0.000 2.176 117 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.253 117 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.253 117 G C 0.266 175.368 174.900 0.337 0.000 0.979 117 G CA 0.203 45.416 45.100 0.187 0.000 0.641 117 G HN 0.673 nan 8.290 nan 0.000 0.530 118 S N -1.112 114.790 115.700 0.336 0.000 2.634 118 S HA 0.556 5.025 4.470 -0.001 0.000 0.261 118 S C 0.626 175.470 174.600 0.406 0.000 1.271 118 S CA -0.024 58.451 58.200 0.458 0.000 0.985 118 S CB 1.741 65.129 63.200 0.314 0.000 0.968 118 S HN 0.727 nan 8.310 nan 0.000 0.568 119 V N 2.155 122.239 119.914 0.284 0.000 2.370 119 V HA 0.284 4.404 4.120 -0.001 0.000 0.279 119 V C -0.155 176.035 176.094 0.161 0.000 1.029 119 V CA -0.638 61.708 62.300 0.077 0.000 0.870 119 V CB 1.278 32.985 31.823 -0.193 0.000 0.984 119 V HN 0.586 nan 8.190 nan 0.000 0.451 120 V N 6.424 126.429 119.914 0.151 0.000 2.455 120 V HA 0.210 4.329 4.120 -0.001 0.000 0.273 120 V C 0.055 176.192 176.094 0.072 0.000 1.045 120 V CA -0.262 62.143 62.300 0.175 0.000 0.976 120 V CB 1.344 33.289 31.823 0.203 0.000 0.993 120 V HN 0.622 nan 8.190 nan 0.000 0.475 121 L N 5.520 126.776 121.223 0.055 0.000 2.315 121 L HA 0.390 4.730 4.340 -0.001 0.000 0.278 121 L C 0.279 177.109 176.870 -0.068 0.000 1.088 121 L CA -0.064 54.764 54.840 -0.021 0.000 0.899 121 L CB 0.582 42.620 42.059 -0.035 0.000 1.277 121 L HN 0.616 nan 8.230 nan 0.000 0.431 122 D N 4.257 124.589 120.400 -0.112 0.000 2.398 122 D HA -0.018 4.621 4.640 -0.001 0.000 0.250 122 D C 1.107 177.327 176.300 -0.133 0.000 1.287 122 D CA -0.015 53.865 54.000 -0.200 0.000 0.992 122 D CB 0.656 41.294 40.800 -0.270 0.000 1.071 122 D HN 0.400 nan 8.370 nan 0.000 0.514 123 M N 2.306 121.840 119.600 -0.111 0.000 2.156 123 M HA 0.027 4.507 4.480 -0.001 0.000 0.264 123 M C 2.071 178.326 176.300 -0.075 0.000 1.067 123 M CA 0.844 56.093 55.300 -0.085 0.000 1.131 123 M CB -1.046 31.505 32.600 -0.081 0.000 1.368 123 M HN 0.441 nan 8.290 nan 0.000 0.416 124 G N 0.034 108.786 108.800 -0.079 0.000 2.471 124 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.219 124 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.219 124 G C 1.706 176.577 174.900 -0.049 0.000 1.125 124 G CA 0.646 45.711 45.100 -0.058 0.000 0.775 124 G HN 0.453 nan 8.290 nan 0.000 0.548 125 K N 0.597 120.958 120.400 -0.064 0.000 2.015 125 K HA -0.186 4.134 4.320 -0.001 0.000 0.216 125 K C 1.870 178.454 176.600 -0.027 0.000 1.052 125 K CA 1.823 58.085 56.287 -0.043 0.000 0.937 125 K CB -0.088 32.381 32.500 -0.051 0.000 0.719 125 K HN 0.258 nan 8.250 nan 0.000 0.446 126 N N -0.454 118.228 118.700 -0.031 0.000 2.368 126 N HA 0.048 4.788 4.740 -0.001 0.000 0.178 126 N C 0.401 175.898 175.510 -0.021 0.000 1.076 126 N CA 0.424 53.461 53.050 -0.022 0.000 0.889 126 N CB 0.429 38.901 38.487 -0.025 0.000 1.040 126 N HN 0.260 nan 8.380 nan 0.000 0.463 127 M N 1.471 121.053 119.600 -0.029 0.000 3.533 127 M HA 0.186 4.665 4.480 -0.001 0.000 0.217 127 M C -0.223 176.061 176.300 -0.028 0.000 1.269 127 M CA -0.066 55.218 55.300 -0.027 0.000 1.435 127 M CB -0.602 31.978 32.600 -0.032 0.000 1.105 127 M HN -0.088 nan 8.290 nan 0.000 0.555 128 N N 0.861 119.549 118.700 -0.020 0.000 2.501 128 N HA 0.038 4.778 4.740 -0.001 0.000 0.195 128 N C -0.235 175.263 175.510 -0.020 0.000 1.213 128 N CA 0.228 53.268 53.050 -0.017 0.000 0.864 128 N CB -0.008 38.479 38.487 0.000 0.000 0.999 128 N HN 0.408 nan 8.380 nan 0.000 0.454 129 R N 0.093 120.577 120.500 -0.026 0.000 2.441 129 R HA 0.311 4.650 4.340 -0.001 0.000 0.284 129 R C -0.474 175.776 176.300 -0.083 0.000 1.070 129 R CA -0.489 55.590 56.100 -0.036 0.000 1.047 129 R CB 1.178 31.466 30.300 -0.018 0.000 1.016 129 R HN -0.092 nan 8.270 nan 0.000 0.477 130 V N 5.646 125.487 119.914 -0.122 0.000 2.372 130 V HA 0.029 4.148 4.120 -0.001 0.000 0.261 130 V C 1.326 177.300 176.094 -0.199 0.000 1.055 130 V CA 0.111 62.251 62.300 -0.267 0.000 0.930 130 V CB 0.576 32.037 31.823 -0.603 0.000 1.031 130 V HN 0.731 nan 8.190 nan 0.000 0.479 131 L N 3.218 124.354 121.223 -0.145 0.000 2.072 131 L HA 0.194 4.533 4.340 -0.001 0.000 0.205 131 L C 1.083 177.906 176.870 -0.078 0.000 1.079 131 L CA 1.236 56.036 54.840 -0.067 0.000 0.752 131 L CB 0.086 42.132 42.059 -0.021 0.000 0.906 131 L HN 0.662 nan 8.230 nan 0.000 0.436 132 E N -1.104 119.009 120.200 -0.144 0.000 2.401 132 E HA 0.463 4.812 4.350 -0.001 0.000 0.280 132 E C -1.896 174.617 176.600 -0.145 0.000 1.039 132 E CA -0.504 55.834 56.400 -0.104 0.000 0.814 132 E CB 2.618 32.314 29.700 -0.006 0.000 1.275 132 E HN -0.248 nan 8.360 nan 0.000 0.448 133 V N 3.108 122.958 119.914 -0.106 0.000 2.655 133 V HA 0.429 4.549 4.120 -0.001 0.000 0.301 133 V C -0.804 175.201 176.094 -0.149 0.000 1.082 133 V CA -0.985 61.248 62.300 -0.110 0.000 0.899 133 V CB 1.782 33.614 31.823 0.015 0.000 1.014 133 V HN 0.620 nan 8.190 nan 0.000 0.429 134 N N 3.802 122.280 118.700 -0.370 0.000 2.346 134 N HA 0.371 5.111 4.740 -0.001 0.000 0.289 134 N C 0.242 175.526 175.510 -0.375 0.000 1.027 134 N CA -0.371 52.421 53.050 -0.429 0.000 0.864 134 N CB 2.485 40.495 38.487 -0.795 0.000 1.370 134 N HN 0.260 nan 8.380 nan 0.000 0.481 135 V N 2.751 122.545 119.914 -0.200 0.000 2.407 135 V HA -0.127 3.993 4.120 -0.001 0.000 0.245 135 V C 2.303 178.316 176.094 -0.135 0.000 1.041 135 V CA 1.668 63.886 62.300 -0.137 0.000 1.040 135 V CB -0.477 31.297 31.823 -0.082 0.000 0.671 135 V HN 0.771 nan 8.190 nan 0.000 0.455 136 E N 1.667 121.790 120.200 -0.128 0.000 2.204 136 E HA -0.143 4.207 4.350 -0.001 0.000 0.195 136 E C 2.111 178.655 176.600 -0.093 0.000 0.990 136 E CA 1.770 58.114 56.400 -0.094 0.000 0.821 136 E CB -0.702 28.959 29.700 -0.064 0.000 0.750 136 E HN 0.531 nan 8.360 nan 0.000 0.477 137 G N 0.774 109.488 108.800 -0.143 0.000 2.545 137 G HA2 0.243 4.203 3.960 -0.001 0.000 0.212 137 G HA3 0.243 4.203 3.960 -0.001 0.000 0.212 137 G C 0.797 175.660 174.900 -0.062 0.000 1.144 137 G CA 0.647 45.713 45.100 -0.056 0.000 0.813 137 G HN 0.707 nan 8.290 nan 0.000 0.531 138 A N -1.551 121.170 122.820 -0.165 0.000 2.648 138 A HA 0.092 4.412 4.320 -0.001 0.000 0.297 138 A C 0.051 177.711 177.584 0.127 0.000 1.467 138 A CA 1.187 53.193 52.037 -0.051 0.000 0.731 138 A CB -2.576 16.404 19.000 -0.034 0.000 1.085 138 A HN 2.006 nan 8.150 nan 0.000 0.437 139 Y N -3.283 117.075 120.300 0.096 0.000 2.725 139 Y HA 0.736 5.285 4.550 -0.001 0.000 0.333 139 Y C -0.103 175.807 175.900 0.016 0.000 1.242 139 Y CA -1.563 56.632 58.100 0.159 0.000 1.059 139 Y CB -0.015 38.619 38.460 0.290 0.000 1.306 139 Y HN 1.407 nan 8.280 nan 0.000 0.454 140 C N -0.212 119.281 119.300 0.322 0.000 3.236 140 C HA 0.973 5.432 4.460 -0.001 0.000 0.312 140 C C -1.346 173.600 174.990 -0.072 0.000 1.374 140 C CA -1.131 57.931 59.018 0.074 0.000 1.455 140 C CB 1.394 29.102 27.740 -0.055 0.000 1.834 140 C HN 0.899 nan 8.230 nan 0.000 0.460 141 V N 1.587 121.375 119.914 -0.211 0.000 2.577 141 V HA 0.823 4.943 4.120 -0.001 0.000 0.303 141 V C -0.096 175.852 176.094 -0.244 0.000 1.042 141 V CA -0.152 61.927 62.300 -0.369 0.000 0.872 141 V CB 1.282 32.763 31.823 -0.571 0.000 0.998 141 V HN 1.379 nan 8.190 nan 0.000 0.423 142 V N 1.161 120.945 119.914 -0.216 0.000 3.130 142 V HA 0.739 4.859 4.120 -0.001 0.000 0.310 142 V C -0.616 175.411 176.094 -0.112 0.000 1.158 142 V CA -0.798 61.406 62.300 -0.161 0.000 1.029 142 V CB 2.258 33.975 31.823 -0.176 0.000 1.057 142 V HN 0.810 nan 8.190 nan 0.000 0.436 143 E N 1.949 122.095 120.200 -0.090 0.000 2.250 143 E HA 0.399 4.748 4.350 -0.001 0.000 0.265 143 E C -2.040 174.514 176.600 -0.076 0.000 1.033 143 E CA -1.787 54.576 56.400 -0.063 0.000 0.888 143 E CB 1.747 31.421 29.700 -0.043 0.000 1.151 143 E HN 0.540 nan 8.360 nan 0.000 0.412 144 P HA -0.204 nan 4.420 nan 0.000 0.214 144 P C 1.296 178.557 177.300 -0.066 0.000 1.169 144 P CA 1.634 64.693 63.100 -0.068 0.000 0.908 144 P CB -0.117 31.545 31.700 -0.062 0.000 0.791 145 G N -0.491 108.277 108.800 -0.053 0.000 2.549 145 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.222 145 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.222 145 G C 0.387 175.264 174.900 -0.038 0.000 1.100 145 G CA 0.320 45.397 45.100 -0.039 0.000 0.739 145 G HN 0.234 nan 8.290 nan 0.000 0.577 146 V N 2.464 122.339 119.914 -0.064 0.000 2.409 146 V HA 0.232 4.352 4.120 -0.001 0.000 0.270 146 V C 1.170 177.212 176.094 -0.086 0.000 1.019 146 V CA 0.194 62.453 62.300 -0.068 0.000 1.066 146 V CB -0.244 31.510 31.823 -0.116 0.000 1.021 146 V HN 0.422 nan 8.190 nan 0.000 0.476 147 T N 1.985 116.535 114.554 -0.007 0.000 2.816 147 T HA 0.260 4.610 4.350 -0.001 0.000 0.282 147 T C 0.951 175.681 174.700 0.050 0.000 0.993 147 T CA -0.117 62.006 62.100 0.037 0.000 0.994 147 T CB 0.599 69.561 68.868 0.156 0.000 1.025 147 T HN 0.383 nan 8.240 nan 0.000 0.529 148 Y N -0.288 120.091 120.300 0.132 0.000 2.145 148 Y HA -0.078 4.472 4.550 -0.001 0.000 0.286 148 Y C 2.870 178.868 175.900 0.163 0.000 1.145 148 Y CA 2.230 60.398 58.100 0.113 0.000 1.148 148 Y CB -0.965 37.548 38.460 0.088 0.000 0.981 148 Y HN 0.904 nan 8.280 nan 0.000 0.507 149 H N 0.086 119.332 119.070 0.295 0.000 2.289 149 H HA -0.186 4.370 4.556 -0.001 0.000 0.296 149 H C 1.836 177.320 175.328 0.260 0.000 1.091 149 H CA 2.230 58.441 56.048 0.271 0.000 1.274 149 H CB -0.196 29.765 29.762 0.331 0.000 1.364 149 H HN 0.240 nan 8.280 nan 0.000 0.490 150 D N 0.094 120.688 120.400 0.323 0.000 2.087 150 D HA -0.173 4.467 4.640 -0.001 0.000 0.192 150 D C 2.327 178.736 176.300 0.182 0.000 0.993 150 D CA 1.154 55.285 54.000 0.217 0.000 0.828 150 D CB -0.764 40.118 40.800 0.137 0.000 0.968 150 D HN 0.263 nan 8.370 nan 0.000 0.448 151 L N 0.834 122.134 121.223 0.128 0.000 2.137 151 L HA -0.223 4.116 4.340 -0.001 0.000 0.213 151 L C 2.146 179.113 176.870 0.162 0.000 1.085 151 L CA 1.849 56.742 54.840 0.088 0.000 0.760 151 L CB -0.767 41.297 42.059 0.008 0.000 0.893 151 L HN 0.246 nan 8.230 nan 0.000 0.434 152 H N -0.962 118.148 119.070 0.067 0.000 2.307 152 H HA -0.089 4.466 4.556 -0.001 0.000 0.303 152 H C 1.733 177.067 175.328 0.011 0.000 1.073 152 H CA 1.471 57.523 56.048 0.006 0.000 1.338 152 H CB 0.202 29.904 29.762 -0.100 0.000 1.389 152 H HN 0.393 nan 8.280 nan 0.000 0.503 153 N N 0.539 119.211 118.700 -0.047 0.000 2.223 153 N HA -0.173 4.566 4.740 -0.001 0.000 0.185 153 N C 1.857 177.321 175.510 -0.076 0.000 1.016 153 N CA 0.910 53.895 53.050 -0.109 0.000 0.863 153 N CB -0.762 37.779 38.487 0.090 0.000 0.983 153 N HN 0.471 nan 8.380 nan 0.000 0.429 154 Y N 1.901 122.157 120.300 -0.075 0.000 2.128 154 Y HA -0.113 4.437 4.550 -0.001 0.000 0.284 154 Y C 2.175 178.020 175.900 -0.093 0.000 1.154 154 Y CA 1.394 59.459 58.100 -0.057 0.000 1.149 154 Y CB -0.351 38.092 38.460 -0.028 0.000 0.976 154 Y HN -0.036 nan 8.280 nan 0.000 0.505 155 L N 0.048 121.297 121.223 0.043 0.000 2.083 155 L HA -0.213 4.127 4.340 -0.001 0.000 0.209 155 L C 2.520 179.286 176.870 -0.174 0.000 1.083 155 L CA 1.923 56.734 54.840 -0.049 0.000 0.752 155 L CB -0.774 41.261 42.059 -0.040 0.000 0.899 155 L HN 0.344 nan 8.230 nan 0.000 0.433 156 E N 0.937 120.974 120.200 -0.271 0.000 2.017 156 E HA -0.240 4.109 4.350 -0.001 0.000 0.193 156 E C 2.060 178.551 176.600 -0.181 0.000 0.997 156 E CA 1.329 57.583 56.400 -0.244 0.000 0.804 156 E CB -0.067 29.439 29.700 -0.324 0.000 0.757 156 E HN 0.419 nan 8.360 nan 0.000 0.448 157 A N 0.244 122.946 122.820 -0.198 0.000 2.259 157 A HA -0.096 4.223 4.320 -0.001 0.000 0.212 157 A C 0.786 178.234 177.584 -0.228 0.000 1.178 157 A CA 1.057 52.982 52.037 -0.186 0.000 0.734 157 A CB -0.302 18.597 19.000 -0.169 0.000 0.774 157 A HN 0.285 nan 8.150 nan 0.000 0.481 158 N N -0.204 118.344 118.700 -0.254 0.000 2.241 158 N HA 0.090 4.829 4.740 -0.001 0.000 0.238 158 N C -0.157 175.274 175.510 -0.133 0.000 1.244 158 N CA -0.191 52.719 53.050 -0.234 0.000 0.880 158 N CB 0.269 38.542 38.487 -0.357 0.000 1.179 158 N HN 0.255 nan 8.380 nan 0.000 0.513 159 N N 0.361 118.993 118.700 -0.114 0.000 2.661 159 N HA -0.207 4.533 4.740 -0.001 0.000 0.249 159 N C 0.401 175.887 175.510 -0.041 0.000 1.142 159 N CA 0.551 53.560 53.050 -0.069 0.000 0.727 159 N CB -1.105 37.349 38.487 -0.054 0.000 1.099 159 N HN 0.415 nan 8.380 nan 0.000 0.558 160 L N 0.199 121.397 121.223 -0.042 0.000 2.313 160 L HA 0.009 4.349 4.340 -0.001 0.000 0.214 160 L C 2.310 179.209 176.870 0.048 0.000 1.119 160 L CA 0.463 55.304 54.840 0.002 0.000 0.809 160 L CB -0.139 41.930 42.059 0.016 0.000 0.933 160 L HN 0.172 nan 8.230 nan 0.000 0.449 161 R N 0.280 120.797 120.500 0.029 0.000 2.154 161 R HA -0.197 4.142 4.340 -0.001 0.000 0.248 161 R C 0.967 177.386 176.300 0.198 0.000 1.155 161 R CA 1.494 57.641 56.100 0.078 0.000 0.979 161 R CB -0.548 29.751 30.300 -0.001 0.000 0.869 161 R HN 0.391 nan 8.270 nan 0.000 0.452 162 D N 0.054 120.521 120.400 0.113 0.000 2.352 162 D HA -0.033 4.607 4.640 -0.001 0.000 0.232 162 D C 0.866 177.219 176.300 0.087 0.000 1.055 162 D CA 0.952 55.024 54.000 0.119 0.000 0.891 162 D CB 0.288 41.123 40.800 0.058 0.000 0.897 162 D HN 0.359 nan 8.370 nan 0.000 0.529 163 K N -1.140 119.317 120.400 0.095 0.000 2.574 163 K HA 0.271 4.590 4.320 -0.001 0.000 0.215 163 K C 0.298 176.898 176.600 0.000 0.000 1.485 163 K CA 0.047 56.341 56.287 0.012 0.000 1.006 163 K CB 1.722 34.221 32.500 -0.001 0.000 1.254 163 K HN -0.090 nan 8.250 nan 0.000 0.580 164 L N 0.456 121.757 121.223 0.131 0.000 2.434 164 L HA 0.535 4.875 4.340 -0.001 0.000 0.260 164 L C -1.760 175.373 176.870 0.437 0.000 0.983 164 L CA -0.943 53.982 54.840 0.142 0.000 0.820 164 L CB 1.913 44.018 42.059 0.077 0.000 1.361 164 L HN -0.062 nan 8.230 nan 0.000 0.410 165 W N 1.831 123.077 121.300 -0.089 0.000 3.032 165 W HA 0.631 5.290 4.660 -0.001 0.000 0.335 165 W C -0.322 176.160 176.519 -0.061 0.000 1.154 165 W CA -0.733 56.568 57.345 -0.072 0.000 1.204 165 W CB 1.268 30.651 29.460 -0.129 0.000 1.416 165 W HN 0.201 nan 8.180 nan 0.000 0.521 166 L N 1.607 122.935 121.223 0.175 0.000 2.598 166 L HA 0.422 4.762 4.340 -0.001 0.000 0.202 166 L C 0.071 177.028 176.870 0.144 0.000 1.190 166 L CA -0.088 54.842 54.840 0.149 0.000 0.869 166 L CB 0.429 42.568 42.059 0.133 0.000 1.529 166 L HN 0.292 nan 8.230 nan 0.000 0.520 167 D N 0.108 120.595 120.400 0.145 0.000 2.419 167 D HA 0.319 4.958 4.640 -0.001 0.000 0.219 167 D C -1.221 175.108 176.300 0.047 0.000 1.349 167 D CA -0.201 53.886 54.000 0.146 0.000 0.964 167 D CB 1.527 42.482 40.800 0.258 0.000 1.463 167 D HN 0.243 nan 8.370 nan 0.000 0.573 168 V N 1.386 121.265 119.914 -0.058 0.000 2.966 168 V HA 0.846 4.966 4.120 -0.001 0.000 0.317 168 V C -2.730 173.283 176.094 -0.134 0.000 1.070 168 V CA -1.916 60.187 62.300 -0.329 0.000 1.008 168 V CB 1.604 33.254 31.823 -0.288 0.000 1.070 168 V HN 0.302 nan 8.190 nan 0.000 0.457 169 P HA 0.468 nan 4.420 nan 0.000 0.286 169 P C -0.153 177.236 177.300 0.150 0.000 1.292 169 P CA -0.449 62.668 63.100 0.029 0.000 0.842 169 P CB 0.866 32.568 31.700 0.003 0.000 1.207 170 D N -0.615 119.984 120.400 0.331 0.000 2.170 170 D HA -0.142 4.497 4.640 -0.001 0.000 0.193 170 D C 0.602 176.922 176.300 0.033 0.000 1.004 170 D CA 1.635 55.734 54.000 0.165 0.000 0.860 170 D CB -0.288 40.638 40.800 0.210 0.000 0.931 170 D HN 0.225 nan 8.370 nan 0.000 0.448 171 L N -0.574 120.685 121.223 0.060 0.000 2.334 171 L HA 0.389 4.728 4.340 -0.001 0.000 0.275 171 L C 1.806 178.693 176.870 0.029 0.000 1.036 171 L CA -0.457 54.411 54.840 0.047 0.000 0.807 171 L CB 1.979 44.159 42.059 0.202 0.000 1.231 171 L HN -0.085 nan 8.230 nan 0.000 0.438 172 G N 1.007 109.741 108.800 -0.111 0.000 2.408 172 G HA2 -0.101 3.858 3.960 -0.001 0.000 0.215 172 G HA3 -0.101 3.858 3.960 -0.001 0.000 0.215 172 G C 1.325 176.548 174.900 0.539 0.000 1.156 172 G CA 0.711 45.789 45.100 -0.037 0.000 0.793 172 G HN 0.862 nan 8.290 nan 0.000 0.535 173 G N 0.873 110.186 108.800 0.855 0.000 2.443 173 G HA2 0.236 4.196 3.960 -0.001 0.000 0.219 173 G HA3 0.236 4.196 3.960 -0.001 0.000 0.219 173 G C 1.092 176.203 174.900 0.353 0.000 1.131 173 G CA 0.714 46.131 45.100 0.529 0.000 0.775 173 G HN 0.657 nan 8.290 nan 0.000 0.547 174 G N -0.093 108.968 108.800 0.435 0.000 2.690 174 G HA2 0.306 4.265 3.960 -0.001 0.000 0.239 174 G HA3 0.306 4.265 3.960 -0.001 0.000 0.239 174 G C 0.360 175.420 174.900 0.267 0.000 1.233 174 G CA 0.470 45.784 45.100 0.356 0.000 0.847 174 G HN 0.374 nan 8.290 nan 0.000 0.588 175 S N -0.305 115.458 115.700 0.105 0.000 2.516 175 S HA 0.074 4.543 4.470 -0.001 0.000 0.282 175 S C 1.567 176.016 174.600 -0.251 0.000 1.286 175 S CA -0.573 57.590 58.200 -0.061 0.000 1.066 175 S CB 0.932 64.114 63.200 -0.029 0.000 0.884 175 S HN 0.423 nan 8.310 nan 0.000 0.491 176 V N 6.650 126.210 119.914 -0.590 0.000 2.407 176 V HA -0.144 3.976 4.120 -0.001 0.000 0.248 176 V C 2.207 178.095 176.094 -0.343 0.000 1.055 176 V CA 2.050 63.792 62.300 -0.931 0.000 1.049 176 V CB -0.892 30.493 31.823 -0.731 0.000 0.662 176 V HN 0.897 nan 8.190 nan 0.000 0.455 177 L N 0.384 121.473 121.223 -0.223 0.000 2.005 177 L HA -0.031 4.309 4.340 -0.001 0.000 0.207 177 L C 2.459 179.305 176.870 -0.040 0.000 1.072 177 L CA 2.093 56.866 54.840 -0.113 0.000 0.744 177 L CB -0.916 41.078 42.059 -0.108 0.000 0.895 177 L HN 0.355 nan 8.230 nan 0.000 0.433 178 G N -0.391 108.387 108.800 -0.035 0.000 2.440 178 G HA2 -0.368 3.592 3.960 -0.001 0.000 0.218 178 G HA3 -0.368 3.592 3.960 -0.001 0.000 0.218 178 G C 1.454 176.381 174.900 0.045 0.000 1.154 178 G CA 0.858 45.955 45.100 -0.005 0.000 0.767 178 G HN 0.486 nan 8.290 nan 0.000 0.552 179 N N 1.545 120.310 118.700 0.108 0.000 2.205 179 N HA -0.097 4.643 4.740 -0.001 0.000 0.186 179 N C 2.404 178.058 175.510 0.241 0.000 1.015 179 N CA 1.434 54.615 53.050 0.218 0.000 0.862 179 N CB -0.263 38.476 38.487 0.421 0.000 0.986 179 N HN 0.262 nan 8.380 nan 0.000 0.429 180 A N 0.638 123.580 122.820 0.204 0.000 1.968 180 A HA -0.048 4.272 4.320 -0.001 0.000 0.217 180 A C 2.403 180.220 177.584 0.387 0.000 1.169 180 A CA 1.574 53.788 52.037 0.296 0.000 0.638 180 A CB -0.661 18.460 19.000 0.201 0.000 0.812 180 A HN 0.281 nan 8.150 nan 0.000 0.446 181 V N -2.945 117.091 119.914 0.204 0.000 2.719 181 V HA -0.028 4.092 4.120 -0.001 0.000 0.252 181 V C 1.628 177.613 176.094 -0.181 0.000 1.065 181 V CA 1.858 64.180 62.300 0.037 0.000 1.086 181 V CB -0.564 31.267 31.823 0.013 0.000 0.700 181 V HN 0.362 nan 8.190 nan 0.000 0.467 182 E N 0.953 121.099 120.200 -0.090 0.000 2.427 182 E HA 0.050 4.400 4.350 -0.001 0.000 0.196 182 E C 0.856 177.352 176.600 -0.173 0.000 1.028 182 E CA 0.430 56.725 56.400 -0.174 0.000 0.864 182 E CB -0.167 29.437 29.700 -0.161 0.000 0.813 182 E HN 0.764 nan 8.360 nan 0.000 0.514 183 R N -0.972 119.512 120.500 -0.026 0.000 3.654 183 R HA -0.123 4.217 4.340 -0.001 0.000 0.302 183 R C 0.825 177.228 176.300 0.173 0.000 1.166 183 R CA 0.311 56.468 56.100 0.095 0.000 0.810 183 R CB -2.583 27.706 30.300 -0.018 0.000 1.323 183 R HN 0.205 nan 8.270 nan 0.000 0.478 184 G N 0.273 109.155 108.800 0.137 0.000 2.680 184 G HA2 0.340 4.300 3.960 -0.001 0.000 0.274 184 G HA3 0.340 4.300 3.960 -0.001 0.000 0.274 184 G C 0.084 174.885 174.900 -0.163 0.000 1.292 184 G CA 0.100 45.255 45.100 0.092 0.000 1.007 184 G HN 0.063 nan 8.290 nan 0.000 0.578 185 V N -0.779 118.953 119.914 -0.303 0.000 2.925 185 V HA 0.826 4.945 4.120 -0.001 0.000 0.311 185 V C 0.538 176.169 176.094 -0.771 0.000 1.104 185 V CA -0.053 61.880 62.300 -0.611 0.000 0.954 185 V CB 1.769 33.382 31.823 -0.351 0.000 1.022 185 V HN 1.256 nan 8.190 nan 0.000 0.427 186 G N 0.436 108.707 108.800 -0.883 0.000 2.680 186 G HA2 0.558 4.518 3.960 -0.001 0.000 0.290 186 G HA3 0.558 4.518 3.960 -0.001 0.000 0.290 186 G C -0.603 173.870 174.900 -0.712 0.000 1.355 186 G CA -0.412 44.279 45.100 -0.681 0.000 0.903 186 G HN 0.580 nan 8.290 nan 0.000 0.474 187 Y N 0.213 120.556 120.300 0.072 0.000 2.263 187 Y HA 0.046 4.596 4.550 -0.001 0.000 0.292 187 Y C 2.574 178.557 175.900 0.138 0.000 1.130 187 Y CA 0.826 58.977 58.100 0.085 0.000 1.179 187 Y CB -0.732 37.757 38.460 0.048 0.000 0.998 187 Y HN 0.577 nan 8.280 nan 0.000 0.532 188 T N -1.065 113.621 114.554 0.220 0.000 2.715 188 T HA 0.057 4.407 4.350 -0.001 0.000 0.320 188 T C -1.732 172.988 174.700 0.034 0.000 1.046 188 T CA -1.282 60.884 62.100 0.111 0.000 0.983 188 T CB 0.262 69.163 68.868 0.055 0.000 1.183 188 T HN -0.160 nan 8.240 nan 0.000 0.522 189 P HA 0.101 nan 4.420 nan 0.000 0.237 189 P C 0.042 177.481 177.300 0.233 0.000 1.178 189 P CA 0.651 63.757 63.100 0.010 0.000 0.766 189 P CB -0.177 31.453 31.700 -0.117 0.000 0.876 190 Y N -0.607 119.691 120.300 -0.004 0.000 2.746 190 Y HA 0.353 4.903 4.550 -0.001 0.000 0.312 190 Y C 2.095 178.071 175.900 0.127 0.000 1.117 190 Y CA -0.660 57.490 58.100 0.084 0.000 1.324 190 Y CB -0.833 37.693 38.460 0.110 0.000 1.173 190 Y HN -0.063 nan 8.280 nan 0.000 0.529 191 G N -0.695 108.208 108.800 0.170 0.000 2.422 191 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.218 191 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.218 191 G C 0.664 175.536 174.900 -0.048 0.000 1.140 191 G CA 0.361 45.486 45.100 0.042 0.000 0.775 191 G HN 0.247 nan 8.290 nan 0.000 0.545 192 D N 0.261 120.671 120.400 0.017 0.000 2.441 192 D HA 0.088 4.728 4.640 -0.001 0.000 0.243 192 D C 1.274 177.668 176.300 0.156 0.000 1.257 192 D CA -0.209 53.804 54.000 0.021 0.000 1.027 192 D CB -0.322 40.509 40.800 0.053 0.000 1.084 192 D HN 0.520 nan 8.370 nan 0.000 0.514 193 H N 2.268 121.408 119.070 0.116 0.000 2.289 193 H HA -0.203 4.353 4.556 -0.001 0.000 0.294 193 H C 1.893 177.317 175.328 0.161 0.000 1.095 193 H CA 1.385 57.521 56.048 0.147 0.000 1.256 193 H CB -0.022 29.852 29.762 0.185 0.000 1.359 193 H HN 0.591 nan 8.280 nan 0.000 0.487 194 W N 1.729 123.132 121.300 0.171 0.000 2.332 194 W HA -0.247 4.412 4.660 -0.001 0.000 0.321 194 W C 1.700 178.348 176.519 0.215 0.000 1.219 194 W CA 1.148 58.575 57.345 0.135 0.000 1.277 194 W CB -0.139 29.372 29.460 0.085 0.000 1.161 194 W HN 0.185 nan 8.180 nan 0.000 0.476 195 M N 0.527 120.192 119.600 0.109 0.000 2.426 195 M HA -0.239 4.241 4.480 -0.001 0.000 0.261 195 M C 1.555 177.678 176.300 -0.296 0.000 1.068 195 M CA 1.323 56.564 55.300 -0.098 0.000 1.066 195 M CB -1.236 31.389 32.600 0.042 0.000 1.399 195 M HN 0.100 nan 8.290 nan 0.000 0.449 196 M N -0.778 118.680 119.600 -0.236 0.000 2.561 196 M HA 0.038 4.517 4.480 -0.001 0.000 0.238 196 M C 0.590 176.383 176.300 -0.845 0.000 1.131 196 M CA 0.272 55.351 55.300 -0.368 0.000 1.046 196 M CB -1.656 30.903 32.600 -0.069 0.000 1.532 196 M HN 0.343 nan 8.290 nan 0.000 0.497 197 H N -1.540 117.000 119.070 -0.884 0.000 2.505 197 H HA 0.565 5.121 4.556 -0.001 0.000 0.351 197 H C -0.653 174.002 175.328 -1.122 0.000 1.151 197 H CA -0.571 54.920 56.048 -0.928 0.000 1.339 197 H CB 1.107 30.378 29.762 -0.818 0.000 1.483 197 H HN -0.018 nan 8.280 nan 0.000 0.558 198 S N 2.410 117.544 115.700 -0.945 0.000 2.626 198 S HA 0.497 4.967 4.470 -0.001 0.000 0.275 198 S C -0.625 173.832 174.600 -0.240 0.000 1.175 198 S CA -0.043 57.759 58.200 -0.664 0.000 0.982 198 S CB 0.055 62.958 63.200 -0.495 0.000 1.093 198 S HN 1.747 nan 8.310 nan 0.000 0.472 199 G N 4.834 113.584 108.800 -0.083 0.000 3.413 199 G HA2 -0.085 3.875 3.960 -0.001 0.000 0.556 199 G HA3 -0.085 3.875 3.960 -0.001 0.000 0.556 199 G C -0.535 174.417 174.900 0.086 0.000 0.870 199 G CA 0.323 45.451 45.100 0.046 0.000 0.729 199 G HN 1.340 nan 8.290 nan 0.000 0.428 200 M N 0.542 120.274 119.600 0.220 0.000 2.658 200 M HA 0.930 5.410 4.480 -0.001 0.000 0.295 200 M C -0.471 175.968 176.300 0.232 0.000 1.248 200 M CA -1.173 54.237 55.300 0.184 0.000 0.843 200 M CB 2.631 35.244 32.600 0.022 0.000 1.749 200 M HN 0.553 nan 8.290 nan 0.000 0.464 201 E N 1.138 121.426 120.200 0.146 0.000 2.292 201 E HA 0.714 5.063 4.350 -0.001 0.000 0.272 201 E C -2.235 174.312 176.600 -0.089 0.000 0.881 201 E CA -0.923 55.497 56.400 0.032 0.000 0.754 201 E CB 3.170 32.940 29.700 0.116 0.000 1.201 201 E HN 0.706 nan 8.360 nan 0.000 0.425 202 V N 3.934 123.739 119.914 -0.181 0.000 3.012 202 V HA 0.413 4.532 4.120 -0.001 0.000 0.307 202 V C -1.521 174.485 176.094 -0.146 0.000 1.166 202 V CA -0.625 61.557 62.300 -0.198 0.000 0.974 202 V CB 2.239 33.838 31.823 -0.372 0.000 1.040 202 V HN 0.565 nan 8.190 nan 0.000 0.428 203 V N 7.594 127.452 119.914 -0.094 0.000 2.353 203 V HA 0.352 4.472 4.120 -0.001 0.000 0.264 203 V C 0.574 176.647 176.094 -0.036 0.000 1.049 203 V CA -0.097 62.167 62.300 -0.061 0.000 0.896 203 V CB 0.683 32.478 31.823 -0.048 0.000 1.025 203 V HN 0.732 nan 8.190 nan 0.000 0.475 204 L N 3.685 124.898 121.223 -0.018 0.000 2.470 204 L HA 0.280 4.620 4.340 -0.001 0.000 0.243 204 L C 2.030 178.912 176.870 0.020 0.000 1.227 204 L CA 0.267 55.127 54.840 0.034 0.000 0.824 204 L CB 0.145 42.229 42.059 0.042 0.000 1.175 204 L HN 0.656 nan 8.230 nan 0.000 0.503 205 A N 0.921 123.759 122.820 0.029 0.000 1.940 205 A HA -0.204 4.116 4.320 -0.001 0.000 0.219 205 A C 1.662 179.260 177.584 0.023 0.000 1.176 205 A CA 1.963 54.013 52.037 0.022 0.000 0.631 205 A CB -0.938 18.074 19.000 0.020 0.000 0.814 205 A HN 0.938 nan 8.150 nan 0.000 0.446 206 N N -0.940 117.771 118.700 0.017 0.000 2.571 206 N HA 0.211 4.950 4.740 -0.001 0.000 0.189 206 N C 1.077 176.592 175.510 0.008 0.000 1.154 206 N CA 1.366 54.424 53.050 0.013 0.000 0.907 206 N CB -0.527 37.965 38.487 0.008 0.000 0.977 206 N HN 0.851 nan 8.380 nan 0.000 0.449 207 G N -0.748 108.055 108.800 0.005 0.000 2.199 207 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.254 207 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.254 207 G C -0.396 174.494 174.900 -0.016 0.000 0.982 207 G CA 0.146 45.243 45.100 -0.005 0.000 0.632 207 G HN 0.523 nan 8.290 nan 0.000 0.529 208 E N 0.543 120.734 120.200 -0.014 0.000 2.360 208 E HA 0.483 4.833 4.350 -0.001 0.000 0.269 208 E C 0.692 177.270 176.600 -0.037 0.000 1.022 208 E CA -0.350 56.036 56.400 -0.023 0.000 0.887 208 E CB 1.022 30.712 29.700 -0.016 0.000 0.990 208 E HN 0.377 nan 8.360 nan 0.000 0.426 209 L N 3.507 124.697 121.223 -0.054 0.000 2.395 209 L HA 0.441 4.781 4.340 -0.001 0.000 0.269 209 L C -0.044 176.772 176.870 -0.091 0.000 1.133 209 L CA -0.249 54.544 54.840 -0.079 0.000 0.812 209 L CB 0.378 42.382 42.059 -0.092 0.000 1.125 209 L HN 0.424 nan 8.230 nan 0.000 0.452 210 L N 2.337 123.486 121.223 -0.123 0.000 2.465 210 L HA 0.590 4.930 4.340 -0.001 0.000 0.257 210 L C -1.346 175.431 176.870 -0.156 0.000 0.988 210 L CA -0.519 54.244 54.840 -0.128 0.000 0.827 210 L CB 2.273 44.266 42.059 -0.110 0.000 1.397 210 L HN 0.598 nan 8.230 nan 0.000 0.410 211 R N 1.351 121.776 120.500 -0.124 0.000 2.621 211 R HA 0.519 4.859 4.340 -0.001 0.000 0.284 211 R C -1.025 175.277 176.300 0.004 0.000 0.998 211 R CA -0.642 55.407 56.100 -0.086 0.000 0.895 211 R CB 2.380 32.515 30.300 -0.275 0.000 1.195 211 R HN 0.757 nan 8.270 nan 0.000 0.450 212 T N -0.816 113.792 114.554 0.091 0.000 2.902 212 T HA 0.598 4.947 4.350 -0.001 0.000 0.280 212 T C 1.086 175.895 174.700 0.182 0.000 0.992 212 T CA 0.158 62.344 62.100 0.143 0.000 1.015 212 T CB 1.600 70.568 68.868 0.167 0.000 1.044 212 T HN 0.777 nan 8.240 nan 0.000 0.520 213 G N 1.643 110.568 108.800 0.207 0.000 2.660 213 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.321 213 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.321 213 G C 1.001 175.985 174.900 0.141 0.000 1.246 213 G CA 0.507 45.710 45.100 0.171 0.000 1.000 213 G HN 0.724 nan 8.290 nan 0.000 0.550 214 M N 2.277 121.947 119.600 0.116 0.000 2.632 214 M HA 0.035 4.515 4.480 -0.001 0.000 0.256 214 M C 2.706 179.071 176.300 0.108 0.000 1.080 214 M CA 1.634 57.005 55.300 0.117 0.000 1.084 214 M CB -1.537 31.132 32.600 0.116 0.000 1.439 214 M HN 0.700 nan 8.290 nan 0.000 0.509 215 G N -0.135 108.753 108.800 0.147 0.000 2.471 215 G HA2 -0.010 3.950 3.960 -0.001 0.000 0.219 215 G HA3 -0.010 3.950 3.960 -0.001 0.000 0.219 215 G C 1.596 176.496 174.900 -0.000 0.000 1.125 215 G CA 0.907 46.113 45.100 0.177 0.000 0.775 215 G HN 0.534 nan 8.290 nan 0.000 0.548 216 A N -0.248 122.594 122.820 0.037 0.000 2.016 216 A HA 0.320 4.640 4.320 -0.001 0.000 0.217 216 A C 1.179 178.772 177.584 0.014 0.000 1.162 216 A CA 0.187 52.233 52.037 0.016 0.000 0.662 216 A CB -0.142 18.897 19.000 0.064 0.000 0.812 216 A HN 0.359 nan 8.150 nan 0.000 0.450 217 L N 2.514 123.759 121.223 0.038 0.000 2.385 217 L HA 0.331 4.671 4.340 -0.001 0.000 0.281 217 L C -2.359 174.513 176.870 0.003 0.000 1.106 217 L CA -2.507 52.350 54.840 0.029 0.000 0.856 217 L CB 0.435 42.523 42.059 0.048 0.000 1.186 217 L HN 0.032 nan 8.230 nan 0.000 0.453 218 P HA 0.100 nan 4.420 nan 0.000 0.275 218 P C -0.924 176.367 177.300 -0.015 0.000 1.227 218 P CA -0.436 62.642 63.100 -0.037 0.000 0.781 218 P CB 0.587 32.260 31.700 -0.046 0.000 0.906 219 D N 3.113 123.504 120.400 -0.014 0.000 2.458 219 D HA 0.144 4.784 4.640 -0.001 0.000 0.243 219 D C -1.881 174.421 176.300 0.003 0.000 1.146 219 D CA -1.242 52.766 54.000 0.013 0.000 0.877 219 D CB -0.447 40.368 40.800 0.025 0.000 1.176 219 D HN 0.169 nan 8.370 nan 0.000 0.461 220 P HA 0.027 nan 4.420 nan 0.000 0.269 220 P C -0.347 176.954 177.300 0.002 0.000 1.217 220 P CA -0.097 63.005 63.100 0.003 0.000 0.783 220 P CB 0.386 32.089 31.700 0.006 0.000 0.898 221 K N 2.684 123.082 120.400 -0.002 0.000 2.319 221 K HA 0.233 4.552 4.320 -0.001 0.000 0.265 221 K C -0.004 176.597 176.600 0.002 0.000 1.000 221 K CA -0.186 56.099 56.287 -0.003 0.000 0.943 221 K CB 0.364 32.860 32.500 -0.006 0.000 0.950 221 K HN 0.563 nan 8.250 nan 0.000 0.485 222 R N 2.172 122.673 120.500 0.002 0.000 2.736 222 R HA 0.182 4.521 4.340 -0.001 0.000 0.250 222 R C -2.740 173.563 176.300 0.004 0.000 1.098 222 R CA -1.455 54.648 56.100 0.005 0.000 0.978 222 R CB 0.863 31.168 30.300 0.009 0.000 1.263 222 R HN 0.305 nan 8.270 nan 0.000 0.460 223 P HA -0.334 nan 4.420 nan 0.000 0.222 223 P C 0.748 178.051 177.300 0.004 0.000 1.155 223 P CA 1.961 65.063 63.100 0.003 0.000 0.890 223 P CB 0.146 31.848 31.700 0.004 0.000 0.790 224 E N -1.028 119.177 120.200 0.008 0.000 2.285 224 E HA -0.085 4.265 4.350 -0.001 0.000 0.194 224 E C 1.380 177.986 176.600 0.010 0.000 0.997 224 E CA 1.712 58.118 56.400 0.010 0.000 0.845 224 E CB -1.550 28.158 29.700 0.014 0.000 0.782 224 E HN 0.370 nan 8.360 nan 0.000 0.491 225 T N -1.529 113.030 114.554 0.008 0.000 3.086 225 T HA 0.196 4.545 4.350 -0.001 0.000 0.250 225 T C 0.912 175.610 174.700 -0.003 0.000 1.074 225 T CA -0.486 61.617 62.100 0.005 0.000 0.988 225 T CB -0.114 68.758 68.868 0.006 0.000 0.988 225 T HN -0.127 nan 8.240 nan 0.000 0.530 226 M N 1.834 121.432 119.600 -0.003 0.000 2.249 226 M HA 0.342 4.822 4.480 -0.001 0.000 0.340 226 M C 1.790 178.085 176.300 -0.009 0.000 1.166 226 M CA 0.759 56.055 55.300 -0.007 0.000 1.115 226 M CB -1.057 31.540 32.600 -0.005 0.000 1.606 226 M HN 0.543 nan 8.290 nan 0.000 0.448 227 G N 2.548 111.340 108.800 -0.013 0.000 2.166 227 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.260 227 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.260 227 G C -0.008 174.882 174.900 -0.016 0.000 0.986 227 G CA 0.059 45.151 45.100 -0.015 0.000 0.683 227 G HN 0.612 nan 8.290 nan 0.000 0.527 228 L N 0.220 121.432 121.223 -0.018 0.000 2.326 228 L HA 0.358 4.698 4.340 -0.001 0.000 0.278 228 L C 1.171 178.022 176.870 -0.031 0.000 1.092 228 L CA -0.782 54.046 54.840 -0.020 0.000 0.810 228 L CB 0.831 42.879 42.059 -0.018 0.000 1.153 228 L HN 0.051 nan 8.230 nan 0.000 0.439 229 K N 3.333 123.715 120.400 -0.031 0.000 2.469 229 K HA 0.010 4.329 4.320 -0.001 0.000 0.274 229 K C -1.537 175.027 176.600 -0.058 0.000 0.983 229 K CA -1.210 55.053 56.287 -0.040 0.000 0.974 229 K CB 0.303 32.782 32.500 -0.035 0.000 0.913 229 K HN 0.308 nan 8.250 nan 0.000 0.493 230 P HA -0.287 nan 4.420 nan 0.000 0.217 230 P C 0.726 177.946 177.300 -0.133 0.000 1.151 230 P CA 1.572 64.609 63.100 -0.106 0.000 0.849 230 P CB 0.038 31.678 31.700 -0.100 0.000 0.787 231 E N 0.052 120.193 120.200 -0.098 0.000 2.033 231 E HA -0.210 4.139 4.350 -0.001 0.000 0.199 231 E C 1.047 177.607 176.600 -0.066 0.000 1.011 231 E CA 1.344 57.694 56.400 -0.083 0.000 0.815 231 E CB -1.224 28.444 29.700 -0.053 0.000 0.755 231 E HN 0.272 nan 8.360 nan 0.000 0.451 232 D N 1.282 121.655 120.400 -0.044 0.000 2.363 232 D HA -0.003 4.637 4.640 -0.001 0.000 0.226 232 D C 0.170 176.455 176.300 -0.026 0.000 1.020 232 D CA 0.425 54.415 54.000 -0.016 0.000 0.892 232 D CB -0.066 40.729 40.800 -0.008 0.000 0.900 232 D HN 0.324 nan 8.370 nan 0.000 0.531 233 Q N 1.750 121.500 119.800 -0.082 0.000 2.340 233 Q HA 0.208 4.548 4.340 -0.001 0.000 0.249 233 Q C -1.984 173.968 176.000 -0.080 0.000 0.957 233 Q CA -1.411 54.342 55.803 -0.085 0.000 0.882 233 Q CB 0.603 29.269 28.738 -0.120 0.000 1.235 233 Q HN 0.093 nan 8.270 nan 0.000 0.439 234 P HA 0.053 nan 4.420 nan 0.000 0.275 234 P C -1.135 176.201 177.300 0.059 0.000 1.270 234 P CA -0.170 63.015 63.100 0.142 0.000 0.791 234 P CB 0.538 32.325 31.700 0.144 0.000 1.089 235 W N -1.051 120.279 121.300 0.049 0.000 2.485 235 W HA 0.467 5.127 4.660 -0.001 0.000 0.364 235 W C 1.125 177.640 176.519 -0.006 0.000 1.171 235 W CA -0.299 57.047 57.345 0.001 0.000 1.304 235 W CB 0.033 29.475 29.460 -0.030 0.000 1.335 235 W HN 0.217 nan 8.180 nan 0.000 0.643 236 S N 0.978 116.807 115.700 0.215 0.000 2.589 236 S HA 0.054 4.523 4.470 -0.001 0.000 0.265 236 S C 1.398 176.072 174.600 0.122 0.000 1.342 236 S CA -0.020 58.250 58.200 0.118 0.000 1.005 236 S CB 0.502 63.750 63.200 0.079 0.000 0.909 236 S HN 0.539 nan 8.310 nan 0.000 0.555 237 K N 2.167 122.623 120.400 0.093 0.000 1.973 237 K HA -0.086 4.234 4.320 -0.001 0.000 0.212 237 K C 1.702 178.351 176.600 0.082 0.000 1.047 237 K CA 1.442 57.788 56.287 0.098 0.000 0.937 237 K CB -0.601 31.942 32.500 0.073 0.000 0.721 237 K HN 0.571 nan 8.250 nan 0.000 0.440 238 I N 2.068 122.671 120.570 0.054 0.000 2.850 238 I HA -0.126 4.044 4.170 -0.001 0.000 0.266 238 I C 2.611 178.736 176.117 0.012 0.000 1.257 238 I CA 0.925 62.255 61.300 0.050 0.000 1.465 238 I CB -1.716 36.318 38.000 0.057 0.000 1.091 238 I HN 0.340 nan 8.210 nan 0.000 0.467 239 A N 1.180 123.957 122.820 -0.071 0.000 1.915 239 A HA -0.250 4.069 4.320 -0.001 0.000 0.220 239 A C 1.735 179.031 177.584 -0.480 0.000 1.198 239 A CA 2.054 53.944 52.037 -0.244 0.000 0.647 239 A CB -1.243 17.591 19.000 -0.276 0.000 0.825 239 A HN 0.622 nan 8.150 nan 0.000 0.456 240 H N -2.093 116.815 119.070 -0.269 0.000 2.507 240 H HA 0.395 4.951 4.556 -0.001 0.000 0.294 240 H C -0.022 175.251 175.328 -0.092 0.000 1.064 240 H CA -0.370 55.399 56.048 -0.465 0.000 1.138 240 H CB 0.530 29.579 29.762 -1.189 0.000 1.515 240 H HN 0.288 nan 8.280 nan 0.000 0.547 241 L N -0.498 120.821 121.223 0.160 0.000 3.086 241 L HA 0.272 4.611 4.340 -0.001 0.000 0.274 241 L C -0.692 176.378 176.870 0.334 0.000 1.184 241 L CA -0.031 54.955 54.840 0.243 0.000 1.002 241 L CB 0.082 42.211 42.059 0.116 0.000 1.383 241 L HN 0.144 nan 8.230 nan 0.000 0.582 242 F N 0.772 120.769 119.950 0.078 0.000 2.651 242 F HA 0.500 5.027 4.527 -0.001 0.000 0.329 242 F C -2.289 173.453 175.800 -0.097 0.000 1.186 242 F CA -1.352 56.619 58.000 -0.048 0.000 1.046 242 F CB 2.080 41.011 39.000 -0.116 0.000 1.296 242 F HN -0.220 nan 8.300 nan 0.000 0.497 243 P HA -0.048 nan 4.420 nan 0.000 0.222 243 P C 1.153 178.126 177.300 -0.546 0.000 1.157 243 P CA 1.146 63.925 63.100 -0.536 0.000 0.816 243 P CB 0.154 31.480 31.700 -0.624 0.000 0.813 244 Y N 0.369 119.942 120.300 -1.212 0.000 2.200 244 Y HA 0.166 4.715 4.550 -0.001 0.000 0.290 244 Y C 2.094 177.798 175.900 -0.325 0.000 1.137 244 Y CA 0.355 57.866 58.100 -0.981 0.000 1.163 244 Y CB -1.627 36.308 38.460 -0.876 0.000 0.988 244 Y HN 0.043 nan 8.280 nan 0.000 0.518 245 G N 0.532 109.387 108.800 0.091 0.000 2.539 245 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.256 245 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.256 245 G C -0.767 174.336 174.900 0.337 0.000 1.233 245 G CA 0.071 45.310 45.100 0.231 0.000 0.936 245 G HN 0.449 nan 8.290 nan 0.000 0.571 246 F N 1.024 121.052 119.950 0.130 0.000 2.588 246 F HA 0.654 5.181 4.527 -0.001 0.000 0.310 246 F C 0.715 176.574 175.800 0.097 0.000 1.082 246 F CA 1.313 59.382 58.000 0.115 0.000 0.929 246 F CB 1.540 40.597 39.000 0.096 0.000 1.254 246 F HN 2.521 nan 8.300 nan 0.000 0.455 247 G N 3.988 112.287 108.800 -0.834 0.000 2.804 247 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.230 247 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.230 247 G C -2.693 172.089 174.900 -0.196 0.000 1.386 247 G CA -0.800 43.926 45.100 -0.623 0.000 0.875 247 G HN 0.722 nan 8.290 nan 0.000 0.557 248 P HA 0.039 nan 4.420 nan 0.000 0.255 248 P C -0.414 176.946 177.300 0.100 0.000 1.132 248 P CA 0.563 63.660 63.100 -0.004 0.000 0.766 248 P CB -0.043 31.659 31.700 0.003 0.000 0.715 249 Y N 5.312 125.575 120.300 -0.062 0.000 2.627 249 Y HA 0.205 4.755 4.550 -0.001 0.000 0.347 249 Y C 1.250 177.171 175.900 0.036 0.000 1.099 249 Y CA -1.070 57.007 58.100 -0.038 0.000 1.408 249 Y CB -0.554 37.803 38.460 -0.172 0.000 1.247 249 Y HN 0.359 nan 8.280 nan 0.000 0.506 250 I N -0.429 120.147 120.570 0.010 0.000 3.684 250 I HA 0.049 4.219 4.170 -0.001 0.000 0.304 250 I C 0.883 176.998 176.117 -0.002 0.000 1.278 250 I CA 0.455 61.737 61.300 -0.030 0.000 1.272 250 I CB 0.088 38.174 38.000 0.143 0.000 1.029 250 I HN 0.212 nan 8.210 nan 0.000 0.458 251 D N 2.848 123.166 120.400 -0.137 0.000 2.133 251 D HA -0.187 4.452 4.640 -0.001 0.000 0.192 251 D C 2.370 178.854 176.300 0.306 0.000 1.001 251 D CA 1.971 56.105 54.000 0.224 0.000 0.844 251 D CB -0.618 40.342 40.800 0.267 0.000 0.944 251 D HN 0.533 nan 8.370 nan 0.000 0.447 252 G N 0.571 109.406 108.800 0.057 0.000 2.475 252 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.220 252 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.220 252 G C 1.522 176.268 174.900 -0.257 0.000 1.125 252 G CA 0.468 45.524 45.100 -0.073 0.000 0.755 252 G HN 0.301 nan 8.290 nan 0.000 0.565 253 L N -0.679 120.335 121.223 -0.347 0.000 2.353 253 L HA 0.023 4.363 4.340 -0.001 0.000 0.220 253 L C 2.119 178.536 176.870 -0.755 0.000 1.133 253 L CA 0.456 54.944 54.840 -0.587 0.000 0.798 253 L CB -0.348 41.251 42.059 -0.768 0.000 0.922 253 L HN 0.178 nan 8.230 nan 0.000 0.445 254 F N -0.515 119.345 119.950 -0.149 0.000 2.743 254 F HA 0.026 4.552 4.527 -0.001 0.000 0.297 254 F C 1.544 177.179 175.800 -0.276 0.000 1.131 254 F CA -0.294 57.617 58.000 -0.148 0.000 1.426 254 F CB -0.306 38.670 39.000 -0.039 0.000 1.116 254 F HN -0.021 nan 8.300 nan 0.000 0.583 255 S N -0.040 115.402 115.700 -0.430 0.000 2.462 255 S HA 0.297 4.767 4.470 -0.001 0.000 0.294 255 S C 0.151 174.470 174.600 -0.468 0.000 1.144 255 S CA -0.650 57.157 58.200 -0.656 0.000 1.088 255 S CB 1.427 63.748 63.200 -1.465 0.000 1.009 255 S HN 0.346 nan 8.310 nan 0.000 0.484 256 Q N 0.354 119.930 119.800 -0.372 0.000 2.434 256 Q HA -0.210 4.130 4.340 -0.001 0.000 0.299 256 Q C 0.068 175.900 176.000 -0.281 0.000 1.286 256 Q CA 0.997 56.611 55.803 -0.315 0.000 0.872 256 Q CB -2.175 26.370 28.738 -0.321 0.000 1.193 256 Q HN 1.068 nan 8.270 nan 0.000 0.466 257 S N -0.858 114.674 115.700 -0.280 0.000 2.840 257 S HA 0.684 5.154 4.470 -0.001 0.000 0.307 257 S C -0.186 174.254 174.600 -0.268 0.000 1.180 257 S CA -0.324 57.714 58.200 -0.270 0.000 0.846 257 S CB 1.198 64.218 63.200 -0.299 0.000 1.233 257 S HN 0.289 nan 8.310 nan 0.000 0.548 258 N N -0.716 117.831 118.700 -0.255 0.000 2.451 258 N HA 0.219 4.959 4.740 -0.001 0.000 0.271 258 N C 0.189 175.591 175.510 -0.180 0.000 1.410 258 N CA -0.450 52.458 53.050 -0.237 0.000 0.884 258 N CB 0.020 38.351 38.487 -0.259 0.000 1.332 258 N HN 0.451 nan 8.380 nan 0.000 0.498 259 M N -0.205 119.279 119.600 -0.193 0.000 2.595 259 M HA 0.306 4.786 4.480 -0.001 0.000 0.248 259 M C 0.641 176.972 176.300 0.052 0.000 1.119 259 M CA 0.372 55.566 55.300 -0.177 0.000 1.079 259 M CB -0.339 31.982 32.600 -0.465 0.000 1.472 259 M HN 0.387 nan 8.290 nan 0.000 0.501 260 G N 0.222 109.084 108.800 0.104 0.000 2.466 260 G HA2 0.507 4.466 3.960 -0.001 0.000 0.291 260 G HA3 0.507 4.466 3.960 -0.001 0.000 0.291 260 G C -1.581 173.333 174.900 0.023 0.000 1.460 260 G CA -0.863 44.328 45.100 0.152 0.000 0.791 260 G HN 0.119 nan 8.290 nan 0.000 0.505 261 I N 1.330 121.886 120.570 -0.023 0.000 2.328 261 I HA 0.303 4.472 4.170 -0.001 0.000 0.287 261 I C 0.057 176.129 176.117 -0.075 0.000 1.012 261 I CA -0.894 60.366 61.300 -0.066 0.000 1.195 261 I CB 1.633 39.591 38.000 -0.069 0.000 1.350 261 I HN 0.113 nan 8.210 nan 0.000 0.464 262 V N 5.684 125.552 119.914 -0.077 0.000 2.488 262 V HA 0.076 4.196 4.120 -0.001 0.000 0.277 262 V C 1.290 177.347 176.094 -0.061 0.000 1.046 262 V CA 0.067 62.321 62.300 -0.077 0.000 0.986 262 V CB 1.047 32.835 31.823 -0.058 0.000 0.989 262 V HN 0.919 nan 8.190 nan 0.000 0.475 263 T N 1.397 115.923 114.554 -0.047 0.000 3.023 263 T HA 0.313 4.662 4.350 -0.001 0.000 0.249 263 T C 0.454 175.155 174.700 0.001 0.000 1.050 263 T CA 0.096 62.181 62.100 -0.026 0.000 1.088 263 T CB 0.337 69.192 68.868 -0.021 0.000 0.946 263 T HN 0.556 nan 8.240 nan 0.000 0.480 264 K N -0.208 120.209 120.400 0.029 0.000 2.575 264 K HA 0.742 5.061 4.320 -0.001 0.000 0.279 264 K C -1.992 174.623 176.600 0.024 0.000 0.969 264 K CA -0.807 55.508 56.287 0.047 0.000 0.868 264 K CB 2.870 35.490 32.500 0.199 0.000 1.457 264 K HN 0.157 nan 8.250 nan 0.000 0.426 265 I N -0.138 120.385 120.570 -0.077 0.000 2.787 265 I HA 0.375 4.544 4.170 -0.001 0.000 0.294 265 I C -1.089 174.833 176.117 -0.325 0.000 1.365 265 I CA -0.477 60.726 61.300 -0.161 0.000 1.029 265 I CB 2.074 40.002 38.000 -0.121 0.000 1.313 265 I HN 0.729 nan 8.210 nan 0.000 0.431 266 G N 7.724 116.278 108.800 -0.411 0.000 2.356 266 G HA2 0.533 4.492 3.960 -0.001 0.000 0.300 266 G HA3 0.533 4.492 3.960 -0.001 0.000 0.300 266 G C -0.764 173.880 174.900 -0.428 0.000 1.107 266 G CA -0.230 44.529 45.100 -0.570 0.000 0.960 266 G HN 0.300 nan 8.290 nan 0.000 0.418 267 I N 3.136 123.525 120.570 -0.302 0.000 2.389 267 I HA 0.282 4.452 4.170 -0.001 0.000 0.288 267 I C -0.499 175.655 176.117 0.061 0.000 0.999 267 I CA -1.762 59.417 61.300 -0.201 0.000 1.129 267 I CB 1.283 39.224 38.000 -0.098 0.000 1.288 267 I HN 0.425 nan 8.210 nan 0.000 0.444 268 W N 6.775 128.095 121.300 0.034 0.000 2.251 268 W HA 0.235 4.894 4.660 -0.001 0.000 0.327 268 W C 0.063 176.778 176.519 0.327 0.000 1.361 268 W CA -0.500 56.943 57.345 0.163 0.000 1.234 268 W CB 0.014 29.520 29.460 0.077 0.000 1.212 268 W HN 0.259 nan 8.180 nan 0.000 0.557 269 L N 4.641 126.196 121.223 0.554 0.000 2.325 269 L HA 0.431 4.771 4.340 -0.001 0.000 0.279 269 L C 0.452 177.376 176.870 0.091 0.000 1.054 269 L CA -0.831 54.193 54.840 0.305 0.000 0.804 269 L CB 1.235 43.394 42.059 0.166 0.000 1.200 269 L HN 0.249 nan 8.230 nan 0.000 0.436 270 M N 5.828 125.209 119.600 -0.367 0.000 2.108 270 M HA 0.334 4.814 4.480 -0.001 0.000 0.354 270 M C -2.341 173.714 176.300 -0.407 0.000 1.229 270 M CA -1.672 53.102 55.300 -0.877 0.000 1.081 270 M CB 1.367 33.216 32.600 -1.253 0.000 1.606 270 M HN 0.187 nan 8.290 nan 0.000 0.467 271 P HA -0.008 nan 4.420 nan 0.000 0.271 271 P C -0.900 176.083 177.300 -0.529 0.000 1.220 271 P CA -0.087 62.827 63.100 -0.311 0.000 0.768 271 P CB 0.224 31.791 31.700 -0.222 0.000 0.848 272 N N 5.433 123.758 118.700 -0.624 0.000 2.365 272 N HA -0.053 4.687 4.740 -0.001 0.000 0.265 272 N C -1.155 173.999 175.510 -0.594 0.000 1.288 272 N CA -0.961 51.492 53.050 -0.995 0.000 0.869 272 N CB 0.165 38.344 38.487 -0.512 0.000 1.071 272 N HN 0.278 nan 8.380 nan 0.000 0.480 273 P HA -0.037 nan 4.420 nan 0.000 0.237 273 P C 0.105 177.290 177.300 -0.191 0.000 1.178 273 P CA 0.885 63.776 63.100 -0.347 0.000 0.766 273 P CB -0.033 31.491 31.700 -0.292 0.000 0.876 274 R N -1.289 119.102 120.500 -0.182 0.000 3.322 274 R HA 0.139 4.478 4.340 -0.001 0.000 0.266 274 R C 0.505 176.786 176.300 -0.031 0.000 1.072 274 R CA 1.047 57.100 56.100 -0.079 0.000 0.715 274 R CB -2.918 nan 30.300 nan 0.000 1.199 274 R HN 0.834 nan 8.270 nan 0.000 0.421 275 G N -1.802 106.998 108.800 -0.001 0.000 2.397 275 G HA2 0.543 4.502 3.960 -0.001 0.000 0.453 275 G HA3 0.543 4.502 3.960 -0.001 0.000 0.453 275 G C -1.179 173.777 174.900 0.093 0.000 1.579 275 G CA 0.125 45.242 45.100 0.028 0.000 0.906 275 G HN 1.987 nan 8.290 nan 0.000 0.675 276 Y N 1.464 121.715 120.300 -0.082 0.000 2.436 276 Y HA 0.760 5.310 4.550 -0.001 0.000 0.327 276 Y C -1.212 174.545 175.900 -0.239 0.000 1.138 276 Y CA -1.269 56.741 58.100 -0.150 0.000 1.042 276 Y CB 2.652 41.141 38.460 0.049 0.000 1.302 276 Y HN 0.830 nan 8.280 nan 0.000 0.439 277 Q N 3.802 123.132 119.800 -0.784 0.000 2.275 277 Q HA 0.534 4.873 4.340 -0.001 0.000 0.258 277 Q C -1.428 173.996 176.000 -0.961 0.000 0.960 277 Q CA -0.524 54.706 55.803 -0.955 0.000 0.801 277 Q CB 1.774 30.008 28.738 -0.840 0.000 1.302 277 Q HN 0.739 nan 8.270 nan 0.000 0.433 278 S N 2.592 117.695 115.700 -0.994 0.000 2.693 278 S HA 0.926 5.396 4.470 -0.001 0.000 0.276 278 S C -0.467 174.013 174.600 -0.200 0.000 1.192 278 S CA -0.110 57.770 58.200 -0.533 0.000 0.994 278 S CB 0.961 63.912 63.200 -0.415 0.000 1.012 278 S HN 0.804 nan 8.310 nan 0.000 0.550 279 Y N -1.751 118.418 120.300 -0.217 0.000 2.925 279 Y HA 0.769 5.319 4.550 -0.001 0.000 0.349 279 Y C -2.086 173.784 175.900 -0.050 0.000 1.342 279 Y CA -1.609 56.480 58.100 -0.020 0.000 1.093 279 Y CB 0.324 38.807 38.460 0.039 0.000 1.571 279 Y HN 0.803 nan 8.280 nan 0.000 0.438 280 L N 1.636 122.995 121.223 0.226 0.000 2.434 280 L HA 0.794 5.134 4.340 -0.001 0.000 0.260 280 L C -1.843 175.199 176.870 0.287 0.000 0.983 280 L CA -1.238 53.545 54.840 -0.096 0.000 0.820 280 L CB 2.295 44.125 42.059 -0.381 0.000 1.361 280 L HN 0.739 nan 8.230 nan 0.000 0.410 281 I N 3.296 123.915 120.570 0.082 0.000 2.517 281 I HA 0.221 4.390 4.170 -0.001 0.000 0.280 281 I C -0.306 175.787 176.117 -0.040 0.000 1.061 281 I CA -0.504 60.810 61.300 0.025 0.000 1.091 281 I CB 2.008 40.048 38.000 0.067 0.000 1.205 281 I HN 0.734 nan 8.210 nan 0.000 0.459 282 T N 5.002 119.528 114.554 -0.046 0.000 2.884 282 T HA 0.517 4.867 4.350 -0.001 0.000 0.298 282 T C -0.228 174.461 174.700 -0.018 0.000 0.998 282 T CA -0.442 61.624 62.100 -0.055 0.000 1.124 282 T CB 0.930 69.749 68.868 -0.081 0.000 0.931 282 T HN 0.324 nan 8.240 nan 0.000 0.531 283 L N 5.226 126.467 121.223 0.031 0.000 2.287 283 L HA 0.340 4.680 4.340 -0.001 0.000 0.287 283 L C -1.545 175.339 176.870 0.024 0.000 1.022 283 L CA -2.636 52.245 54.840 0.069 0.000 0.814 283 L CB 1.887 44.052 42.059 0.177 0.000 1.217 283 L HN 0.454 nan 8.230 nan 0.000 0.420 284 P HA -0.079 nan 4.420 nan 0.000 0.213 284 P C 0.009 177.295 177.300 -0.023 0.000 1.170 284 P CA 1.159 64.249 63.100 -0.015 0.000 0.889 284 P CB 0.274 31.970 31.700 -0.007 0.000 0.782 285 K N 0.314 120.723 120.400 0.015 0.000 2.143 285 K HA 0.075 4.395 4.320 -0.001 0.000 0.272 285 K C 0.725 177.373 176.600 0.080 0.000 1.001 285 K CA -0.243 56.058 56.287 0.024 0.000 0.915 285 K CB 0.526 33.047 32.500 0.034 0.000 1.047 285 K HN -0.110 nan 8.250 nan 0.000 0.458 286 D N 2.036 122.461 120.400 0.042 0.000 2.190 286 D HA -0.136 4.503 4.640 -0.001 0.000 0.200 286 D C 1.366 177.903 176.300 0.394 0.000 0.992 286 D CA 1.674 55.751 54.000 0.127 0.000 0.854 286 D CB 0.088 40.957 40.800 0.115 0.000 0.936 286 D HN 0.781 nan 8.370 nan 0.000 0.462 287 G N -0.867 108.063 108.800 0.216 0.000 2.920 287 G HA2 -0.120 3.840 3.960 -0.001 0.000 0.208 287 G HA3 -0.120 3.840 3.960 -0.001 0.000 0.208 287 G C 1.166 176.109 174.900 0.071 0.000 1.159 287 G CA 0.145 45.332 45.100 0.145 0.000 0.784 287 G HN 0.163 nan 8.290 nan 0.000 0.535 288 D N 0.391 120.863 120.400 0.120 0.000 2.219 288 D HA -0.095 4.545 4.640 -0.001 0.000 0.205 288 D C 2.405 178.647 176.300 -0.097 0.000 0.970 288 D CA 0.230 54.254 54.000 0.040 0.000 0.851 288 D CB -0.057 40.793 40.800 0.083 0.000 0.943 288 D HN 0.280 nan 8.370 nan 0.000 0.488 289 L N 1.710 122.823 121.223 -0.184 0.000 2.051 289 L HA -0.247 4.093 4.340 -0.001 0.000 0.214 289 L C 2.041 178.610 176.870 -0.502 0.000 1.076 289 L CA 1.961 56.342 54.840 -0.764 0.000 0.758 289 L CB -0.554 40.755 42.059 -1.250 0.000 0.890 289 L HN -0.095 nan 8.230 nan 0.000 0.433 290 K N -0.917 119.316 120.400 -0.279 0.000 2.002 290 K HA -0.274 4.045 4.320 -0.001 0.000 0.209 290 K C 2.301 178.774 176.600 -0.212 0.000 1.048 290 K CA 2.056 58.210 56.287 -0.221 0.000 0.930 290 K CB -0.413 32.019 32.500 -0.112 0.000 0.714 290 K HN 0.606 nan 8.250 nan 0.000 0.438 291 Q N -0.261 119.431 119.800 -0.180 0.000 2.172 291 Q HA -0.094 4.246 4.340 -0.001 0.000 0.200 291 Q C 1.890 177.720 176.000 -0.283 0.000 0.964 291 Q CA 1.072 56.760 55.803 -0.192 0.000 0.855 291 Q CB -0.122 28.527 28.738 -0.147 0.000 0.918 291 Q HN 0.479 nan 8.270 nan 0.000 0.444 292 A N 0.061 122.700 122.820 -0.303 0.000 1.917 292 A HA -0.180 4.140 4.320 -0.001 0.000 0.219 292 A C 2.160 179.497 177.584 -0.412 0.000 1.182 292 A CA 1.744 53.547 52.037 -0.389 0.000 0.633 292 A CB -0.773 18.073 19.000 -0.257 0.000 0.819 292 A HN 0.308 nan 8.150 nan 0.000 0.448 293 V N 0.621 120.326 119.914 -0.348 0.000 2.358 293 V HA -0.217 3.903 4.120 -0.001 0.000 0.246 293 V C 2.024 177.990 176.094 -0.214 0.000 1.047 293 V CA 2.108 64.240 62.300 -0.280 0.000 1.035 293 V CB -0.775 30.874 31.823 -0.290 0.000 0.658 293 V HN 0.546 nan 8.190 nan 0.000 0.452 294 D N -0.094 120.181 120.400 -0.208 0.000 2.218 294 D HA -0.115 4.524 4.640 -0.001 0.000 0.204 294 D C 2.053 178.240 176.300 -0.188 0.000 0.976 294 D CA 1.233 55.139 54.000 -0.158 0.000 0.853 294 D CB 0.106 40.822 40.800 -0.140 0.000 0.939 294 D HN 0.415 nan 8.370 nan 0.000 0.481 295 I N 0.880 121.272 120.570 -0.297 0.000 2.141 295 I HA -0.192 3.977 4.170 -0.001 0.000 0.236 295 I C 2.544 178.508 176.117 -0.255 0.000 1.071 295 I CA 0.642 61.706 61.300 -0.394 0.000 1.345 295 I CB -0.170 37.309 38.000 -0.869 0.000 1.066 295 I HN -0.112 nan 8.210 nan 0.000 0.406 296 I N 0.812 121.242 120.570 -0.233 0.000 2.399 296 I HA -0.334 3.836 4.170 -0.001 0.000 0.254 296 I C 2.753 178.873 176.117 0.005 0.000 1.146 296 I CA 1.104 62.389 61.300 -0.026 0.000 1.412 296 I CB -0.469 37.476 38.000 -0.092 0.000 1.076 296 I HN 0.306 nan 8.210 nan 0.000 0.432 297 R N 1.716 122.186 120.500 -0.050 0.000 2.083 297 R HA -0.167 4.172 4.340 -0.001 0.000 0.237 297 R C -0.651 175.657 176.300 0.014 0.000 1.137 297 R CA 1.969 58.061 56.100 -0.014 0.000 0.951 297 R CB -1.139 29.140 30.300 -0.034 0.000 0.851 297 R HN 0.258 nan 8.270 nan 0.000 0.434 298 P HA -0.006 nan 4.420 nan 0.000 0.235 298 P C 1.260 178.591 177.300 0.052 0.000 1.177 298 P CA 0.766 63.880 63.100 0.022 0.000 0.785 298 P CB 0.102 31.804 31.700 0.003 0.000 0.885 299 L N -0.627 120.640 121.223 0.075 0.000 2.072 299 L HA -0.045 4.295 4.340 -0.001 0.000 0.205 299 L C 2.896 179.848 176.870 0.135 0.000 1.079 299 L CA 1.090 56.003 54.840 0.121 0.000 0.752 299 L CB -0.591 41.579 42.059 0.185 0.000 0.906 299 L HN -0.087 nan 8.230 nan 0.000 0.436 300 R N 0.785 121.366 120.500 0.135 0.000 2.070 300 R HA -0.111 4.229 4.340 -0.001 0.000 0.233 300 R C 2.188 178.548 176.300 0.100 0.000 1.137 300 R CA 1.591 57.773 56.100 0.135 0.000 0.945 300 R CB -0.715 29.657 30.300 0.120 0.000 0.845 300 R HN 0.197 nan 8.270 nan 0.000 0.430 301 L N -0.829 120.440 121.223 0.076 0.000 2.079 301 L HA -0.069 4.271 4.340 -0.001 0.000 0.210 301 L C 2.167 179.075 176.870 0.063 0.000 1.081 301 L CA 1.529 56.406 54.840 0.061 0.000 0.752 301 L CB -0.663 41.423 42.059 0.045 0.000 0.896 301 L HN 0.473 nan 8.230 nan 0.000 0.433 302 G N -2.013 106.827 108.800 0.067 0.000 2.744 302 G HA2 -0.098 3.861 3.960 -0.001 0.000 0.211 302 G HA3 -0.098 3.861 3.960 -0.001 0.000 0.211 302 G C 1.135 176.082 174.900 0.078 0.000 1.143 302 G CA 0.023 45.162 45.100 0.064 0.000 0.788 302 G HN 0.307 nan 8.290 nan 0.000 0.534 303 M N -1.500 118.157 119.600 0.096 0.000 2.976 303 M HA -0.225 4.255 4.480 -0.001 0.000 0.206 303 M C 1.729 178.108 176.300 0.132 0.000 0.591 303 M CA 0.791 56.157 55.300 0.110 0.000 0.777 303 M CB -2.022 30.632 32.600 0.089 0.000 2.782 303 M HN 0.409 nan 8.290 nan 0.000 0.331 304 A N 0.041 122.943 122.820 0.136 0.000 1.930 304 A HA 0.090 4.410 4.320 -0.001 0.000 0.217 304 A C 1.217 178.927 177.584 0.210 0.000 1.175 304 A CA 0.787 52.916 52.037 0.154 0.000 0.627 304 A CB -0.059 19.027 19.000 0.143 0.000 0.815 304 A HN 0.498 nan 8.150 nan 0.000 0.443 305 L N 0.980 122.339 121.223 0.226 0.000 2.385 305 L HA 0.056 4.396 4.340 -0.001 0.000 0.281 305 L C 1.251 178.277 176.870 0.260 0.000 1.106 305 L CA -0.346 54.665 54.840 0.285 0.000 0.856 305 L CB 0.850 43.092 42.059 0.305 0.000 1.186 305 L HN 0.514 nan 8.230 nan 0.000 0.453 306 Q N 2.078 122.065 119.800 0.313 0.000 1.946 306 Q HA -0.102 4.238 4.340 -0.001 0.000 0.199 306 Q C 0.879 177.025 176.000 0.243 0.000 0.979 306 Q CA 1.291 57.280 55.803 0.311 0.000 0.834 306 Q CB 0.145 29.172 28.738 0.482 0.000 0.899 306 Q HN 0.772 nan 8.270 nan 0.000 0.431 307 N N -0.438 118.466 118.700 0.340 0.000 2.547 307 N HA 0.124 4.864 4.740 -0.001 0.000 0.301 307 N C -0.452 175.191 175.510 0.221 0.000 1.328 307 N CA -0.445 52.744 53.050 0.232 0.000 0.932 307 N CB -0.094 38.622 38.487 0.382 0.000 1.104 307 N HN -0.092 nan 8.380 nan 0.000 0.548 308 V N 1.475 121.511 119.914 0.203 0.000 2.408 308 V HA 0.318 4.438 4.120 -0.001 0.000 0.267 308 V C -2.026 174.212 176.094 0.239 0.000 1.047 308 V CA -1.267 61.141 62.300 0.181 0.000 0.937 308 V CB 0.498 32.384 31.823 0.104 0.000 0.999 308 V HN 0.628 nan 8.190 nan 0.000 0.472 309 P HA 0.300 nan 4.420 nan 0.000 0.274 309 P C -0.283 177.222 177.300 0.341 0.000 1.231 309 P CA 0.063 63.373 63.100 0.350 0.000 0.790 309 P CB 1.105 33.217 31.700 0.686 0.000 0.951 310 T N -0.538 114.187 114.554 0.286 0.000 2.916 310 T HA 0.687 5.037 4.350 -0.001 0.000 0.305 310 T C -0.798 174.151 174.700 0.414 0.000 1.119 310 T CA -0.756 61.507 62.100 0.272 0.000 1.008 310 T CB 0.728 69.655 68.868 0.097 0.000 1.129 310 T HN 0.205 nan 8.240 nan 0.000 0.480 311 I N 2.673 123.468 120.570 0.376 0.000 2.493 311 I HA 0.410 4.580 4.170 -0.001 0.000 0.279 311 I C 0.235 176.575 176.117 0.373 0.000 1.045 311 I CA -0.883 60.650 61.300 0.388 0.000 1.106 311 I CB 1.608 39.670 38.000 0.103 0.000 1.216 311 I HN 0.498 nan 8.210 nan 0.000 0.459 312 R N 3.535 124.297 120.500 0.436 0.000 2.441 312 R HA 0.285 4.625 4.340 -0.001 0.000 0.284 312 R C 0.084 176.691 176.300 0.512 0.000 1.070 312 R CA -0.558 55.793 56.100 0.417 0.000 1.047 312 R CB 0.795 31.255 30.300 0.267 0.000 1.016 312 R HN 0.484 nan 8.270 nan 0.000 0.477 313 H N 3.125 122.393 119.070 0.330 0.000 2.525 313 H HA 0.003 4.559 4.556 -0.001 0.000 0.339 313 H C 1.172 176.402 175.328 -0.164 0.000 1.109 313 H CA -0.352 55.649 56.048 -0.079 0.000 1.352 313 H CB 1.107 30.876 29.762 0.012 0.000 1.461 313 H HN 0.604 nan 8.280 nan 0.000 0.533 314 I N 4.883 125.005 120.570 -0.746 0.000 2.147 314 I HA -0.354 3.815 4.170 -0.001 0.000 0.245 314 I C 1.885 177.828 176.117 -0.288 0.000 1.059 314 I CA 1.651 62.669 61.300 -0.470 0.000 1.320 314 I CB -0.459 37.212 38.000 -0.547 0.000 1.021 314 I HN 0.748 nan 8.210 nan 0.000 0.415 315 L N -0.772 120.323 121.223 -0.215 0.000 2.191 315 L HA -0.185 4.155 4.340 -0.001 0.000 0.212 315 L C 2.382 179.027 176.870 -0.374 0.000 1.103 315 L CA 0.770 55.428 54.840 -0.303 0.000 0.769 315 L CB -0.729 41.157 42.059 -0.290 0.000 0.908 315 L HN 0.405 nan 8.230 nan 0.000 0.438 316 L N 0.002 121.068 121.223 -0.262 0.000 1.989 316 L HA -0.250 4.089 4.340 -0.001 0.000 0.211 316 L C 2.084 178.835 176.870 -0.198 0.000 1.071 316 L CA 1.974 56.591 54.840 -0.371 0.000 0.749 316 L CB -0.781 41.108 42.059 -0.283 0.000 0.890 316 L HN 0.215 nan 8.230 nan 0.000 0.431 317 D N -0.235 120.099 120.400 -0.110 0.000 2.117 317 D HA -0.143 4.497 4.640 -0.001 0.000 0.197 317 D C 2.182 178.479 176.300 -0.004 0.000 0.987 317 D CA 1.570 55.554 54.000 -0.026 0.000 0.829 317 D CB -0.216 40.587 40.800 0.005 0.000 0.961 317 D HN 0.491 nan 8.370 nan 0.000 0.460 318 A N 1.120 123.883 122.820 -0.095 0.000 1.908 318 A HA -0.092 4.227 4.320 -0.001 0.000 0.218 318 A C 2.317 179.972 177.584 0.119 0.000 1.181 318 A CA 2.365 54.359 52.037 -0.071 0.000 0.627 318 A CB -0.719 18.034 19.000 -0.412 0.000 0.818 318 A HN 0.245 nan 8.150 nan 0.000 0.445 319 A N -0.749 122.037 122.820 -0.057 0.000 1.969 319 A HA 0.064 4.384 4.320 -0.001 0.000 0.218 319 A C 2.156 179.934 177.584 0.324 0.000 1.169 319 A CA 1.556 53.700 52.037 0.179 0.000 0.635 319 A CB -0.756 18.154 19.000 -0.150 0.000 0.810 319 A HN 0.376 nan 8.150 nan 0.000 0.445 320 V N 0.163 120.220 119.914 0.239 0.000 2.490 320 V HA -0.239 3.880 4.120 -0.001 0.000 0.250 320 V C 2.476 178.694 176.094 0.207 0.000 1.061 320 V CA 1.852 64.300 62.300 0.247 0.000 1.064 320 V CB -0.663 31.267 31.823 0.179 0.000 0.670 320 V HN 0.586 nan 8.190 nan 0.000 0.461 321 L N -0.703 120.664 121.223 0.240 0.000 2.109 321 L HA 0.256 4.595 4.340 -0.001 0.000 0.207 321 L C 1.120 178.150 176.870 0.266 0.000 1.086 321 L CA 1.251 56.248 54.840 0.261 0.000 0.760 321 L CB -0.460 41.760 42.059 0.269 0.000 0.910 321 L HN 0.516 nan 8.230 nan 0.000 0.437 322 G N -1.057 107.994 108.800 0.418 0.000 2.506 322 G HA2 0.292 4.252 3.960 -0.001 0.000 0.292 322 G HA3 0.292 4.252 3.960 -0.001 0.000 0.292 322 G C -1.992 173.178 174.900 0.450 0.000 1.425 322 G CA -0.509 44.720 45.100 0.216 0.000 0.788 322 G HN 0.023 nan 8.290 nan 0.000 0.490 323 D N -0.357 120.149 120.400 0.176 0.000 2.371 323 D HA 0.139 4.778 4.640 -0.001 0.000 0.242 323 D C 1.279 177.507 176.300 -0.121 0.000 1.218 323 D CA -0.523 53.559 54.000 0.137 0.000 0.945 323 D CB 1.402 42.184 40.800 -0.031 0.000 1.137 323 D HN 0.520 nan 8.370 nan 0.000 0.464 324 K N 0.126 119.877 120.400 -1.081 0.000 2.103 324 K HA -0.228 4.091 4.320 -0.001 0.000 0.207 324 K C 2.114 178.370 176.600 -0.574 0.000 1.048 324 K CA 1.099 56.250 56.287 -1.894 0.000 0.930 324 K CB -0.028 31.075 32.500 -2.329 0.000 0.716 324 K HN 0.464 nan 8.250 nan 0.000 0.444 325 R N 0.770 121.025 120.500 -0.408 0.000 2.081 325 R HA -0.095 4.245 4.340 -0.001 0.000 0.235 325 R C 1.823 178.037 176.300 -0.143 0.000 1.131 325 R CA 1.974 57.946 56.100 -0.213 0.000 0.960 325 R CB -0.339 29.857 30.300 -0.174 0.000 0.856 325 R HN 0.269 nan 8.270 nan 0.000 0.436 326 S N -1.074 114.517 115.700 -0.181 0.000 2.723 326 S HA -0.081 4.389 4.470 -0.001 0.000 0.231 326 S C 0.405 174.813 174.600 -0.319 0.000 0.967 326 S CA 0.428 58.474 58.200 -0.257 0.000 0.958 326 S CB -0.153 62.837 63.200 -0.350 0.000 0.778 326 S HN 0.538 nan 8.310 nan 0.000 0.537 327 Y N -0.315 119.946 120.300 -0.065 0.000 2.449 327 Y HA 0.442 4.992 4.550 -0.001 0.000 0.278 327 Y C 0.706 176.594 175.900 -0.019 0.000 1.066 327 Y CA -0.302 57.794 58.100 -0.006 0.000 1.166 327 Y CB 0.739 39.246 38.460 0.078 0.000 1.346 327 Y HN 0.383 nan 8.280 nan 0.000 0.562 328 S N 0.296 116.039 115.700 0.071 0.000 2.288 328 S HA 0.135 4.605 4.470 -0.001 0.000 0.214 328 S C -1.150 173.436 174.600 -0.023 0.000 0.720 328 S CA -0.539 57.679 58.200 0.031 0.000 0.934 328 S CB -0.448 62.789 63.200 0.063 0.000 1.349 328 S HN 0.075 nan 8.310 nan 0.000 0.382 329 S N 4.173 119.854 115.700 -0.032 0.000 2.898 329 S HA 0.228 4.698 4.470 -0.001 0.000 0.324 329 S C 0.244 174.828 174.600 -0.026 0.000 1.171 329 S CA 0.058 58.231 58.200 -0.044 0.000 1.288 329 S CB -0.530 62.649 63.200 -0.035 0.000 1.490 329 S HN 0.652 nan 8.310 nan 0.000 0.570 330 R N 2.025 122.508 120.500 -0.029 0.000 2.659 330 R HA 0.162 4.501 4.340 -0.001 0.000 0.290 330 R C 0.439 176.733 176.300 -0.010 0.000 1.253 330 R CA -0.288 55.807 56.100 -0.009 0.000 1.010 330 R CB 0.113 30.419 30.300 0.009 0.000 1.236 330 R HN 0.326 nan 8.270 nan 0.000 0.413 331 T N 1.409 115.958 114.554 -0.009 0.000 2.699 331 T HA -0.137 4.212 4.350 -0.001 0.000 0.268 331 T C 0.434 175.143 174.700 0.016 0.000 1.036 331 T CA 1.307 63.405 62.100 -0.003 0.000 1.147 331 T CB -0.048 68.817 68.868 -0.003 0.000 0.862 331 T HN 0.530 nan 8.240 nan 0.000 0.446 332 E N 1.452 121.664 120.200 0.021 0.000 2.428 332 E HA 0.094 4.443 4.350 -0.001 0.000 0.257 332 E C -2.399 174.238 176.600 0.061 0.000 1.197 332 E CA -1.437 54.986 56.400 0.037 0.000 0.974 332 E CB 0.019 29.738 29.700 0.031 0.000 0.976 332 E HN 0.172 nan 8.360 nan 0.000 0.463 333 P HA 0.055 nan 4.420 nan 0.000 0.274 333 P C -0.520 176.848 177.300 0.113 0.000 1.237 333 P CA 0.021 63.194 63.100 0.122 0.000 0.793 333 P CB 0.395 32.168 31.700 0.121 0.000 0.977 334 L N 0.687 121.998 121.223 0.148 0.000 2.453 334 L HA 0.127 4.467 4.340 -0.001 0.000 0.272 334 L C 1.142 178.067 176.870 0.092 0.000 1.182 334 L CA -0.236 54.678 54.840 0.123 0.000 0.858 334 L CB -0.150 42.003 42.059 0.156 0.000 1.120 334 L HN 0.468 nan 8.230 nan 0.000 0.474 335 S N 0.041 115.781 115.700 0.067 0.000 2.573 335 S HA -0.053 4.417 4.470 -0.001 0.000 0.277 335 S C 0.696 175.321 174.600 0.042 0.000 1.346 335 S CA -0.522 57.707 58.200 0.048 0.000 1.034 335 S CB 1.130 64.352 63.200 0.038 0.000 0.879 335 S HN 0.726 nan 8.310 nan 0.000 0.528 336 D N 1.006 121.425 120.400 0.031 0.000 2.221 336 D HA -0.114 4.525 4.640 -0.001 0.000 0.204 336 D C 1.535 177.840 176.300 0.009 0.000 0.982 336 D CA 1.526 55.538 54.000 0.021 0.000 0.857 336 D CB -0.021 40.787 40.800 0.014 0.000 0.934 336 D HN 0.722 nan 8.370 nan 0.000 0.475 337 E N 0.221 120.429 120.200 0.013 0.000 2.046 337 E HA -0.071 4.279 4.350 -0.001 0.000 0.190 337 E C 1.973 178.579 176.600 0.009 0.000 0.982 337 E CA 0.807 57.212 56.400 0.008 0.000 0.800 337 E CB -0.194 29.512 29.700 0.009 0.000 0.756 337 E HN 0.398 nan 8.360 nan 0.000 0.449 338 E N 0.461 120.674 120.200 0.023 0.000 2.267 338 E HA -0.168 4.182 4.350 -0.001 0.000 0.197 338 E C 1.852 178.460 176.600 0.013 0.000 0.998 338 E CA 0.584 57.002 56.400 0.030 0.000 0.830 338 E CB -0.130 29.600 29.700 0.051 0.000 0.751 338 E HN 0.218 nan 8.360 nan 0.000 0.491 339 L N 0.999 122.219 121.223 -0.005 0.000 1.961 339 L HA -0.216 4.123 4.340 -0.001 0.000 0.210 339 L C 2.091 178.914 176.870 -0.077 0.000 1.072 339 L CA 1.167 55.974 54.840 -0.055 0.000 0.749 339 L CB -0.565 41.448 42.059 -0.077 0.000 0.889 339 L HN 0.090 nan 8.230 nan 0.000 0.432 340 D N 0.527 120.887 120.400 -0.067 0.000 2.126 340 D HA -0.220 4.420 4.640 -0.001 0.000 0.190 340 D C 2.161 178.438 176.300 -0.039 0.000 1.001 340 D CA 1.535 55.498 54.000 -0.062 0.000 0.841 340 D CB -0.163 40.614 40.800 -0.038 0.000 0.949 340 D HN 0.314 nan 8.370 nan 0.000 0.446 341 K N 0.200 120.590 120.400 -0.016 0.000 2.032 341 K HA -0.106 4.213 4.320 -0.001 0.000 0.209 341 K C 2.412 179.015 176.600 0.006 0.000 1.048 341 K CA 0.873 57.163 56.287 0.004 0.000 0.927 341 K CB -0.165 32.349 32.500 0.023 0.000 0.712 341 K HN 0.221 nan 8.250 nan 0.000 0.441 342 I N 1.014 121.580 120.570 -0.007 0.000 2.315 342 I HA -0.241 3.929 4.170 -0.001 0.000 0.248 342 I C 2.557 178.649 176.117 -0.041 0.000 1.117 342 I CA 0.896 62.190 61.300 -0.011 0.000 1.404 342 I CB -0.545 37.407 38.000 -0.082 0.000 1.071 342 I HN 0.147 nan 8.210 nan 0.000 0.419 343 A N 2.182 124.952 122.820 -0.084 0.000 1.948 343 A HA -0.277 4.042 4.320 -0.001 0.000 0.220 343 A C 2.372 179.919 177.584 -0.061 0.000 1.177 343 A CA 2.432 54.405 52.037 -0.107 0.000 0.636 343 A CB -0.614 18.304 19.000 -0.137 0.000 0.815 343 A HN 0.609 nan 8.150 nan 0.000 0.449 344 K N -0.712 119.668 120.400 -0.034 0.000 2.076 344 K HA -0.098 4.222 4.320 -0.001 0.000 0.204 344 K C 1.861 178.465 176.600 0.006 0.000 1.051 344 K CA 1.195 57.474 56.287 -0.012 0.000 0.949 344 K CB -0.453 32.044 32.500 -0.004 0.000 0.726 344 K HN 0.527 nan 8.250 nan 0.000 0.443 345 Q N 0.398 120.211 119.800 0.023 0.000 2.248 345 Q HA -0.133 4.207 4.340 -0.001 0.000 0.208 345 Q C 1.475 177.505 176.000 0.050 0.000 0.984 345 Q CA 1.177 57.010 55.803 0.050 0.000 0.875 345 Q CB -0.109 28.686 28.738 0.094 0.000 0.910 345 Q HN 0.252 nan 8.270 nan 0.000 0.433 346 L N -0.402 120.840 121.223 0.031 0.000 2.556 346 L HA 0.112 4.452 4.340 -0.001 0.000 0.226 346 L C 0.211 177.066 176.870 -0.026 0.000 1.089 346 L CA 0.513 55.362 54.840 0.016 0.000 0.864 346 L CB -0.029 42.042 42.059 0.021 0.000 1.067 346 L HN 0.160 nan 8.230 nan 0.000 0.477 347 N N -1.046 117.633 118.700 -0.033 0.000 2.967 347 N HA -0.153 4.586 4.740 -0.001 0.000 0.241 347 N C -0.059 175.371 175.510 -0.133 0.000 0.983 347 N CA 0.657 53.676 53.050 -0.052 0.000 0.918 347 N CB -1.527 36.953 38.487 -0.013 0.000 1.109 347 N HN 0.221 nan 8.380 nan 0.000 0.567 348 L N -0.394 120.753 121.223 -0.127 0.000 2.544 348 L HA 0.778 5.118 4.340 -0.001 0.000 0.256 348 L C 1.660 178.457 176.870 -0.122 0.000 1.097 348 L CA -0.435 54.310 54.840 -0.158 0.000 0.812 348 L CB 0.656 42.635 42.059 -0.134 0.000 1.440 348 L HN 0.064 nan 8.230 nan 0.000 0.496 349 G N -1.067 107.655 108.800 -0.130 0.000 2.795 349 G HA2 0.318 4.277 3.960 -0.001 0.000 0.267 349 G HA3 0.318 4.277 3.960 -0.001 0.000 0.267 349 G C 0.317 175.079 174.900 -0.230 0.000 1.362 349 G CA -0.434 44.593 45.100 -0.122 0.000 1.048 349 G HN 0.375 nan 8.290 nan 0.000 0.547 350 R N -1.395 118.929 120.500 -0.292 0.000 2.127 350 R HA 0.101 4.440 4.340 -0.001 0.000 0.217 350 R C -0.336 175.351 176.300 -1.021 0.000 1.074 350 R CA 0.329 56.054 56.100 -0.625 0.000 0.991 350 R CB 0.017 29.982 30.300 -0.559 0.000 0.895 350 R HN 0.539 nan 8.270 nan 0.000 0.450 351 W N 0.640 121.847 121.300 -0.155 0.000 2.785 351 W HA 0.370 5.030 4.660 -0.001 0.000 0.333 351 W C -0.543 175.937 176.519 -0.065 0.000 1.062 351 W CA -0.943 56.333 57.345 -0.115 0.000 1.233 351 W CB 1.417 30.799 29.460 -0.130 0.000 1.413 351 W HN -0.208 nan 8.180 nan 0.000 0.489 352 N N 3.345 122.260 118.700 0.357 0.000 2.607 352 N HA 0.138 4.877 4.740 -0.001 0.000 0.271 352 N C -1.658 173.996 175.510 0.240 0.000 1.142 352 N CA -0.596 52.561 53.050 0.179 0.000 0.810 352 N CB 0.894 39.442 38.487 0.103 0.000 1.306 352 N HN 0.255 nan 8.380 nan 0.000 0.536 353 F N 3.423 123.349 119.950 -0.040 0.000 2.438 353 F HA 0.328 4.854 4.527 -0.001 0.000 0.360 353 F C -0.703 174.959 175.800 -0.229 0.000 1.118 353 F CA -0.375 57.604 58.000 -0.036 0.000 1.164 353 F CB -0.024 38.963 39.000 -0.021 0.000 1.131 353 F HN 0.303 nan 8.300 nan 0.000 0.527 354 Y N 3.338 123.225 120.300 -0.689 0.000 2.496 354 Y HA 0.774 5.324 4.550 -0.001 0.000 0.331 354 Y C 0.710 175.917 175.900 -1.155 0.000 1.140 354 Y CA -0.515 57.110 58.100 -0.791 0.000 1.166 354 Y CB 1.787 39.975 38.460 -0.452 0.000 1.249 354 Y HN 0.701 nan 8.280 nan 0.000 0.479 355 G N -0.504 107.668 108.800 -1.046 0.000 2.561 355 G HA2 0.740 4.700 3.960 -0.001 0.000 0.310 355 G HA3 0.740 4.700 3.960 -0.001 0.000 0.310 355 G C -2.069 172.475 174.900 -0.592 0.000 1.292 355 G CA -0.285 44.358 45.100 -0.761 0.000 0.811 355 G HN 0.930 nan 8.290 nan 0.000 0.482 356 A N -1.125 121.664 122.820 -0.052 0.000 2.605 356 A HA 0.750 5.069 4.320 -0.001 0.000 0.294 356 A C -1.571 175.969 177.584 -0.074 0.000 1.062 356 A CA -0.548 51.425 52.037 -0.106 0.000 0.682 356 A CB 0.993 19.872 19.000 -0.203 0.000 1.278 356 A HN 0.996 nan 8.150 nan 0.000 0.410 357 L N 0.825 121.863 121.223 -0.309 0.000 2.331 357 L HA 0.695 5.035 4.340 -0.001 0.000 0.275 357 L C -1.255 175.406 176.870 -0.349 0.000 1.022 357 L CA -0.603 54.129 54.840 -0.180 0.000 0.812 357 L CB 1.420 43.339 42.059 -0.234 0.000 1.257 357 L HN 0.734 nan 8.230 nan 0.000 0.435 358 Y N 0.573 120.935 120.300 0.104 0.000 2.442 358 Y HA 0.707 5.256 4.550 -0.001 0.000 0.344 358 Y C 0.698 176.609 175.900 0.019 0.000 0.976 358 Y CA -0.278 57.873 58.100 0.085 0.000 1.040 358 Y CB 2.173 40.681 38.460 0.081 0.000 1.228 358 Y HN 0.792 nan 8.280 nan 0.000 0.451 359 G N 2.562 111.428 108.800 0.111 0.000 2.660 359 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.215 359 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.215 359 G C -3.108 171.798 174.900 0.010 0.000 1.345 359 G CA -1.456 43.663 45.100 0.032 0.000 0.877 359 G HN 0.477 nan 8.290 nan 0.000 0.549 360 P HA 0.143 nan 4.420 nan 0.000 0.258 360 P C 0.846 178.146 177.300 -0.000 0.000 1.172 360 P CA 0.812 63.910 63.100 -0.003 0.000 0.762 360 P CB 0.635 32.333 31.700 -0.003 0.000 0.764 361 E N 5.222 125.416 120.200 -0.010 0.000 2.187 361 E HA -0.225 4.124 4.350 -0.001 0.000 0.199 361 E C -0.913 175.687 176.600 0.000 0.000 1.004 361 E CA 1.707 58.098 56.400 -0.015 0.000 0.813 361 E CB -1.105 28.585 29.700 -0.017 0.000 0.736 361 E HN 0.382 nan 8.360 nan 0.000 0.468 362 P HA -0.109 nan 4.420 nan 0.000 0.218 362 P C 1.007 178.320 177.300 0.021 0.000 1.149 362 P CA 1.143 64.250 63.100 0.012 0.000 0.817 362 P CB 0.043 31.748 31.700 0.009 0.000 0.785 363 I N -1.536 119.047 120.570 0.023 0.000 2.480 363 I HA -0.017 4.153 4.170 -0.001 0.000 0.251 363 I C 2.384 178.529 176.117 0.047 0.000 1.124 363 I CA 0.970 62.292 61.300 0.037 0.000 1.444 363 I CB -0.893 37.132 38.000 0.041 0.000 1.098 363 I HN -0.228 nan 8.210 nan 0.000 0.428 364 R N 0.515 121.031 120.500 0.028 0.000 2.091 364 R HA -0.180 4.159 4.340 -0.001 0.000 0.238 364 R C 2.451 178.780 176.300 0.049 0.000 1.136 364 R CA 1.527 57.636 56.100 0.015 0.000 0.959 364 R CB -0.440 29.826 30.300 -0.056 0.000 0.856 364 R HN 0.317 nan 8.270 nan 0.000 0.437 365 R N 0.747 121.272 120.500 0.043 0.000 2.097 365 R HA -0.176 4.164 4.340 -0.001 0.000 0.236 365 R C 2.114 178.481 176.300 0.112 0.000 1.135 365 R CA 2.040 58.189 56.100 0.082 0.000 0.934 365 R CB -0.499 29.829 30.300 0.047 0.000 0.846 365 R HN 0.083 nan 8.270 nan 0.000 0.431 366 V N 1.673 121.632 119.914 0.074 0.000 2.332 366 V HA -0.283 3.837 4.120 -0.001 0.000 0.248 366 V C 2.514 178.656 176.094 0.081 0.000 1.055 366 V CA 1.923 64.260 62.300 0.062 0.000 1.038 366 V CB -0.425 31.427 31.823 0.049 0.000 0.651 366 V HN 0.362 nan 8.190 nan 0.000 0.450 367 L N -1.294 119.995 121.223 0.111 0.000 1.989 367 L HA -0.279 4.061 4.340 -0.001 0.000 0.211 367 L C 2.415 179.397 176.870 0.186 0.000 1.071 367 L CA 2.444 57.369 54.840 0.141 0.000 0.749 367 L CB -0.647 41.508 42.059 0.160 0.000 0.890 367 L HN 0.545 nan 8.230 nan 0.000 0.431 368 W N 1.193 122.454 121.300 -0.065 0.000 2.325 368 W HA -0.232 4.427 4.660 -0.001 0.000 0.299 368 W C 2.384 178.830 176.519 -0.122 0.000 1.215 368 W CA 1.111 58.381 57.345 -0.125 0.000 1.244 368 W CB 0.136 29.519 29.460 -0.128 0.000 1.140 368 W HN 0.234 nan 8.180 nan 0.000 0.523 369 E N -0.136 120.032 120.200 -0.053 0.000 2.023 369 E HA -0.197 4.152 4.350 -0.001 0.000 0.196 369 E C 1.980 178.452 176.600 -0.214 0.000 1.003 369 E CA 2.446 58.727 56.400 -0.198 0.000 0.809 369 E CB -1.079 28.571 29.700 -0.083 0.000 0.755 369 E HN 0.227 nan 8.360 nan 0.000 0.449 370 T N 1.954 116.455 114.554 -0.088 0.000 2.737 370 T HA -0.145 4.205 4.350 -0.001 0.000 0.269 370 T C 2.174 176.840 174.700 -0.056 0.000 1.040 370 T CA 1.307 63.377 62.100 -0.050 0.000 1.142 370 T CB -0.256 68.623 68.868 0.018 0.000 0.861 370 T HN 0.109 nan 8.240 nan 0.000 0.456 371 I N 0.644 121.164 120.570 -0.085 0.000 2.162 371 I HA -0.117 4.052 4.170 -0.001 0.000 0.238 371 I C 2.670 178.661 176.117 -0.210 0.000 1.076 371 I CA 1.250 62.532 61.300 -0.029 0.000 1.353 371 I CB -0.377 37.609 38.000 -0.023 0.000 1.063 371 I HN 0.144 nan 8.210 nan 0.000 0.408 372 K N 1.173 121.059 120.400 -0.857 0.000 2.001 372 K HA -0.316 4.004 4.320 -0.001 0.000 0.214 372 K C 2.045 178.312 176.600 -0.555 0.000 1.050 372 K CA 2.401 57.916 56.287 -1.287 0.000 0.934 372 K CB -0.356 31.037 32.500 -1.844 0.000 0.718 372 K HN 0.370 nan 8.250 nan 0.000 0.443 373 D N 0.166 120.316 120.400 -0.417 0.000 2.158 373 D HA -0.207 4.433 4.640 -0.001 0.000 0.197 373 D C 1.617 177.879 176.300 -0.063 0.000 0.995 373 D CA 1.634 55.515 54.000 -0.200 0.000 0.846 373 D CB -0.059 40.641 40.800 -0.167 0.000 0.941 373 D HN 0.355 nan 8.370 nan 0.000 0.456 374 A N 0.186 123.006 122.820 0.001 0.000 1.858 374 A HA -0.100 4.219 4.320 -0.001 0.000 0.216 374 A C 1.999 179.626 177.584 0.072 0.000 1.190 374 A CA 1.035 53.108 52.037 0.060 0.000 0.617 374 A CB -1.220 17.854 19.000 0.123 0.000 0.827 374 A HN 0.266 nan 8.150 nan 0.000 0.443 375 F N 1.169 121.145 119.950 0.042 0.000 2.771 375 F HA 0.017 4.544 4.527 -0.001 0.000 0.299 375 F C 2.262 178.131 175.800 0.114 0.000 1.177 375 F CA 0.727 58.783 58.000 0.093 0.000 1.450 375 F CB -0.329 38.781 39.000 0.184 0.000 1.114 375 F HN 0.097 nan 8.300 nan 0.000 0.587 376 S N -0.135 115.700 115.700 0.225 0.000 2.447 376 S HA -0.097 4.373 4.470 -0.001 0.000 0.233 376 S C 2.339 176.976 174.600 0.062 0.000 1.006 376 S CA 0.799 59.090 58.200 0.151 0.000 0.957 376 S CB -0.281 62.972 63.200 0.088 0.000 0.773 376 S HN 0.394 nan 8.310 nan 0.000 0.507 377 A N 0.797 123.624 122.820 0.013 0.000 2.168 377 A HA 0.191 4.510 4.320 -0.001 0.000 0.215 377 A C 0.781 178.351 177.584 -0.024 0.000 1.152 377 A CA 0.436 52.459 52.037 -0.024 0.000 0.716 377 A CB -0.371 18.592 19.000 -0.061 0.000 0.794 377 A HN 0.462 nan 8.150 nan 0.000 0.465 378 I N 1.429 121.996 120.570 -0.006 0.000 2.304 378 I HA 0.235 4.405 4.170 -0.001 0.000 0.291 378 I C -2.465 173.661 176.117 0.014 0.000 1.018 378 I CA -2.302 58.995 61.300 -0.005 0.000 1.260 378 I CB 1.518 39.522 38.000 0.007 0.000 1.390 378 I HN -0.036 nan 8.210 nan 0.000 0.475 379 P HA 0.100 nan 4.420 nan 0.000 0.271 379 P C 0.836 178.137 177.300 0.000 0.000 1.218 379 P CA 0.361 63.464 63.100 0.004 0.000 0.780 379 P CB 0.866 32.566 31.700 0.000 0.000 0.901 380 G N 0.866 109.665 108.800 -0.001 0.000 2.175 380 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.265 380 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.265 380 G C 0.275 175.158 174.900 -0.029 0.000 0.979 380 G CA -0.014 45.081 45.100 -0.009 0.000 0.663 380 G HN 0.518 nan 8.290 nan 0.000 0.533 381 V N 0.359 120.244 119.914 -0.049 0.000 2.843 381 V HA 0.466 4.586 4.120 -0.001 0.000 0.305 381 V C 0.648 176.586 176.094 -0.260 0.000 1.065 381 V CA 0.559 62.769 62.300 -0.150 0.000 1.116 381 V CB 1.390 33.134 31.823 -0.132 0.000 0.968 381 V HN 0.386 nan 8.190 nan 0.000 0.487 382 K N 4.225 124.392 120.400 -0.389 0.000 2.535 382 K HA 0.498 4.817 4.320 -0.001 0.000 0.251 382 K C -1.640 174.692 176.600 -0.446 0.000 0.942 382 K CA -0.468 55.619 56.287 -0.335 0.000 0.798 382 K CB 2.121 34.597 32.500 -0.040 0.000 1.267 382 K HN 0.384 nan 8.250 nan 0.000 0.434 383 F N 1.947 121.803 119.950 -0.157 0.000 2.422 383 F HA 0.515 5.042 4.527 -0.001 0.000 0.333 383 F C -0.217 175.404 175.800 -0.297 0.000 1.095 383 F CA -0.457 57.540 58.000 -0.004 0.000 1.038 383 F CB 0.781 39.809 39.000 0.047 0.000 1.156 383 F HN 0.345 nan 8.300 nan 0.000 0.483 384 Y N 1.106 121.549 120.300 0.239 0.000 2.625 384 Y HA 0.648 5.197 4.550 -0.001 0.000 0.338 384 Y C -1.156 174.918 175.900 0.291 0.000 1.123 384 Y CA -1.753 56.389 58.100 0.070 0.000 1.046 384 Y CB 1.494 39.991 38.460 0.062 0.000 1.299 384 Y HN 0.255 nan 8.280 nan 0.000 0.464 385 F N 0.925 120.991 119.950 0.193 0.000 2.563 385 F HA 0.467 4.994 4.527 -0.001 0.000 0.316 385 F C -1.756 174.087 175.800 0.072 0.000 1.076 385 F CA -3.406 54.624 58.000 0.050 0.000 0.921 385 F CB 1.350 40.320 39.000 -0.051 0.000 1.209 385 F HN 0.169 nan 8.300 nan 0.000 0.462 386 P HA -0.227 nan 4.420 nan 0.000 0.219 386 P C 1.200 178.573 177.300 0.122 0.000 1.153 386 P CA 1.812 64.987 63.100 0.124 0.000 0.865 386 P CB 0.382 32.115 31.700 0.055 0.000 0.788 387 E N -0.326 119.958 120.200 0.140 0.000 2.072 387 E HA -0.139 4.210 4.350 -0.001 0.000 0.191 387 E C 0.993 177.661 176.600 0.113 0.000 0.985 387 E CA 1.081 57.547 56.400 0.110 0.000 0.801 387 E CB -0.934 28.829 29.700 0.105 0.000 0.750 387 E HN 0.380 nan 8.360 nan 0.000 0.452 388 D N 1.137 121.626 120.400 0.149 0.000 2.368 388 D HA -0.028 4.612 4.640 -0.001 0.000 0.250 388 D C 0.493 176.912 176.300 0.198 0.000 1.142 388 D CA 0.491 54.584 54.000 0.155 0.000 0.925 388 D CB -0.285 40.602 40.800 0.145 0.000 0.896 388 D HN 0.160 nan 8.370 nan 0.000 0.525 389 T N -3.831 110.803 114.554 0.133 0.000 2.883 389 T HA 0.530 4.879 4.350 -0.001 0.000 0.301 389 T C -3.005 171.731 174.700 0.059 0.000 1.158 389 T CA -2.147 60.005 62.100 0.087 0.000 1.007 389 T CB 2.370 71.266 68.868 0.047 0.000 1.186 389 T HN -0.370 nan 8.240 nan 0.000 0.499 390 P HA 0.097 nan 4.420 nan 0.000 0.270 390 P C 0.655 177.977 177.300 0.038 0.000 1.216 390 P CA -0.001 63.122 63.100 0.038 0.000 0.788 390 P CB 0.441 32.160 31.700 0.032 0.000 0.883 391 E N 0.837 121.058 120.200 0.035 0.000 2.107 391 E HA -0.162 4.188 4.350 -0.001 0.000 0.191 391 E C 1.309 177.929 176.600 0.034 0.000 0.982 391 E CA 1.028 57.448 56.400 0.033 0.000 0.809 391 E CB -0.439 29.279 29.700 0.030 0.000 0.756 391 E HN 0.523 nan 8.360 nan 0.000 0.459 392 N N 1.232 119.953 118.700 0.035 0.000 2.515 392 N HA -0.091 4.649 4.740 -0.001 0.000 0.185 392 N C 0.457 175.992 175.510 0.043 0.000 1.109 392 N CA 0.253 53.326 53.050 0.039 0.000 0.903 392 N CB -0.160 38.352 38.487 0.042 0.000 0.969 392 N HN -0.113 nan 8.380 nan 0.000 0.450 393 S N -0.044 115.680 115.700 0.040 0.000 2.715 393 S HA -0.059 4.411 4.470 -0.001 0.000 0.318 393 S C 1.431 176.059 174.600 0.047 0.000 1.242 393 S CA -0.299 57.925 58.200 0.041 0.000 1.044 393 S CB 0.318 63.541 63.200 0.038 0.000 0.760 393 S HN 0.099 nan 8.310 nan 0.000 0.501 394 V N 6.155 126.105 119.914 0.060 0.000 2.295 394 V HA -0.139 3.980 4.120 -0.001 0.000 0.246 394 V C 2.344 178.471 176.094 0.055 0.000 1.049 394 V CA 1.913 64.239 62.300 0.042 0.000 1.024 394 V CB -0.814 31.046 31.823 0.062 0.000 0.648 394 V HN 0.886 nan 8.190 nan 0.000 0.447 395 L N 0.190 121.518 121.223 0.175 0.000 2.129 395 L HA -0.198 4.142 4.340 -0.001 0.000 0.212 395 L C 2.539 179.457 176.870 0.079 0.000 1.087 395 L CA 1.864 56.829 54.840 0.207 0.000 0.757 395 L CB -0.704 41.450 42.059 0.158 0.000 0.896 395 L HN 0.236 nan 8.230 nan 0.000 0.434 396 R N -1.312 119.220 120.500 0.053 0.000 2.082 396 R HA -0.160 4.180 4.340 -0.001 0.000 0.234 396 R C 2.075 178.380 176.300 0.010 0.000 1.136 396 R CA 1.956 58.075 56.100 0.032 0.000 0.935 396 R CB -0.856 29.462 30.300 0.030 0.000 0.842 396 R HN 0.335 nan 8.270 nan 0.000 0.430 397 V N 1.316 121.224 119.914 -0.009 0.000 2.252 397 V HA -0.291 3.829 4.120 -0.001 0.000 0.249 397 V C 2.253 178.309 176.094 -0.064 0.000 1.056 397 V CA 1.944 64.218 62.300 -0.042 0.000 1.022 397 V CB -0.716 31.073 31.823 -0.056 0.000 0.641 397 V HN 0.350 nan 8.190 nan 0.000 0.445 398 R N 0.296 120.742 120.500 -0.091 0.000 2.211 398 R HA -0.205 4.134 4.340 -0.001 0.000 0.240 398 R C 2.129 178.426 176.300 -0.006 0.000 1.144 398 R CA 1.536 57.565 56.100 -0.118 0.000 0.992 398 R CB -0.629 29.501 30.300 -0.284 0.000 0.869 398 R HN 0.685 nan 8.270 nan 0.000 0.462 399 D N 1.421 121.842 120.400 0.034 0.000 2.103 399 D HA -0.143 4.497 4.640 -0.001 0.000 0.199 399 D C 1.310 177.710 176.300 0.166 0.000 0.978 399 D CA 1.205 55.283 54.000 0.131 0.000 0.829 399 D CB 0.230 41.063 40.800 0.055 0.000 0.981 399 D HN 0.158 nan 8.370 nan 0.000 0.464 400 K N -0.056 120.359 120.400 0.026 0.000 2.032 400 K HA -0.098 4.221 4.320 -0.001 0.000 0.209 400 K C 2.331 178.867 176.600 -0.106 0.000 1.048 400 K CA 1.575 57.819 56.287 -0.072 0.000 0.927 400 K CB -0.335 32.104 32.500 -0.101 0.000 0.712 400 K HN 0.061 nan 8.250 nan 0.000 0.441 401 T N 1.551 116.067 114.554 -0.063 0.000 2.652 401 T HA -0.152 4.197 4.350 -0.001 0.000 0.267 401 T C 1.640 176.369 174.700 0.048 0.000 1.039 401 T CA 1.526 63.604 62.100 -0.038 0.000 1.153 401 T CB -0.166 68.665 68.868 -0.062 0.000 0.863 401 T HN 0.190 nan 8.240 nan 0.000 0.428 402 M N 1.607 121.284 119.600 0.128 0.000 2.748 402 M HA -0.023 4.456 4.480 -0.001 0.000 0.241 402 M C 1.179 177.570 176.300 0.152 0.000 1.080 402 M CA 0.883 56.347 55.300 0.274 0.000 1.068 402 M CB -0.130 32.700 32.600 0.383 0.000 1.536 402 M HN 0.400 nan 8.290 nan 0.000 0.540 403 Q N -1.795 117.918 119.800 -0.145 0.000 2.088 403 Q HA 0.389 4.729 4.340 -0.001 0.000 0.270 403 Q C 0.640 176.325 176.000 -0.525 0.000 0.854 403 Q CA 0.172 55.683 55.803 -0.487 0.000 1.104 403 Q CB 0.485 28.563 28.738 -1.099 0.000 1.251 403 Q HN 0.334 nan 8.270 nan 0.000 0.436 404 G N 1.391 110.064 108.800 -0.211 0.000 2.189 404 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.267 404 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.267 404 G C 0.148 174.878 174.900 -0.282 0.000 0.975 404 G CA 0.441 45.425 45.100 -0.193 0.000 0.644 404 G HN 0.509 nan 8.290 nan 0.000 0.537 405 I N 3.228 123.596 120.570 -0.338 0.000 2.337 405 I HA 0.274 4.443 4.170 -0.001 0.000 0.291 405 I C -1.680 174.227 176.117 -0.350 0.000 1.046 405 I CA -2.228 58.832 61.300 -0.400 0.000 1.324 405 I CB 1.174 38.962 38.000 -0.354 0.000 1.409 405 I HN -0.084 nan 8.210 nan 0.000 0.494 406 P HA 0.067 nan 4.420 nan 0.000 0.276 406 P C -0.041 176.999 177.300 -0.433 0.000 1.253 406 P CA -0.075 62.801 63.100 -0.373 0.000 0.766 406 P CB 0.942 32.461 31.700 -0.302 0.000 0.845 407 T N 1.221 115.511 114.554 -0.441 0.000 2.946 407 T HA 0.409 4.758 4.350 -0.001 0.000 0.295 407 T C -0.017 174.183 174.700 -0.834 0.000 1.143 407 T CA 0.114 61.971 62.100 -0.406 0.000 0.944 407 T CB 0.620 69.357 68.868 -0.219 0.000 1.800 407 T HN 0.335 nan 8.240 nan 0.000 0.590 408 Y N -1.797 118.495 120.300 -0.014 0.000 3.027 408 Y HA 0.221 4.771 4.550 -0.001 0.000 0.315 408 Y C 1.199 177.023 175.900 -0.126 0.000 0.943 408 Y CA -0.616 57.441 58.100 -0.072 0.000 1.173 408 Y CB -0.274 38.165 38.460 -0.035 0.000 1.426 408 Y HN 0.483 nan 8.280 nan 0.000 0.574 409 D N 1.175 121.581 120.400 0.010 0.000 2.178 409 D HA -0.126 4.514 4.640 -0.001 0.000 0.202 409 D C 1.431 177.699 176.300 -0.052 0.000 0.974 409 D CA 1.484 55.477 54.000 -0.011 0.000 0.841 409 D CB -0.015 40.786 40.800 0.002 0.000 0.953 409 D HN 0.501 nan 8.370 nan 0.000 0.478 410 E N 0.326 120.475 120.200 -0.085 0.000 2.268 410 E HA -0.071 4.278 4.350 -0.001 0.000 0.195 410 E C 2.125 178.441 176.600 -0.474 0.000 0.995 410 E CA 0.085 56.422 56.400 -0.105 0.000 0.836 410 E CB -0.105 29.625 29.700 0.050 0.000 0.763 410 E HN 0.319 nan 8.360 nan 0.000 0.491 411 L N 1.214 122.169 121.223 -0.446 0.000 2.081 411 L HA -0.262 4.078 4.340 -0.001 0.000 0.212 411 L C 2.228 178.796 176.870 -0.503 0.000 1.080 411 L CA 1.481 55.960 54.840 -0.601 0.000 0.754 411 L CB -0.403 41.410 42.059 -0.409 0.000 0.893 411 L HN 0.077 nan 8.230 nan 0.000 0.433 412 K N -0.146 120.108 120.400 -0.243 0.000 2.228 412 K HA -0.230 4.090 4.320 -0.001 0.000 0.205 412 K C 1.855 178.477 176.600 0.036 0.000 1.045 412 K CA 1.954 58.197 56.287 -0.072 0.000 0.931 412 K CB -0.376 32.136 32.500 0.021 0.000 0.727 412 K HN 0.665 nan 8.250 nan 0.000 0.458 413 W N 0.477 121.762 121.300 -0.025 0.000 2.595 413 W HA -0.001 4.659 4.660 -0.001 0.000 0.257 413 W C 0.975 177.465 176.519 -0.048 0.000 1.267 413 W CA 0.117 57.452 57.345 -0.017 0.000 1.300 413 W CB -0.428 28.992 29.460 -0.066 0.000 1.120 413 W HN -0.076 nan 8.180 nan 0.000 0.618 414 I N 1.674 122.079 120.570 -0.274 0.000 2.916 414 I HA -0.209 3.960 4.170 -0.001 0.000 0.267 414 I C 1.606 177.688 176.117 -0.059 0.000 1.263 414 I CA 1.256 62.344 61.300 -0.354 0.000 1.471 414 I CB -0.466 37.056 38.000 -0.798 0.000 1.089 414 I HN -0.088 nan 8.210 nan 0.000 0.468 415 D N -0.128 120.307 120.400 0.058 0.000 2.349 415 D HA -0.131 4.509 4.640 -0.001 0.000 0.215 415 D C 1.678 178.113 176.300 0.224 0.000 1.016 415 D CA 0.142 54.206 54.000 0.108 0.000 0.870 415 D CB -0.012 40.825 40.800 0.062 0.000 0.917 415 D HN 0.490 nan 8.370 nan 0.000 0.524 416 W N 1.380 122.730 121.300 0.083 0.000 2.277 416 W HA -0.216 4.444 4.660 -0.001 0.000 0.327 416 W C -0.006 176.549 176.519 0.059 0.000 1.284 416 W CA 0.972 58.375 57.345 0.097 0.000 1.277 416 W CB 0.067 29.590 29.460 0.105 0.000 1.141 416 W HN -0.075 nan 8.180 nan 0.000 0.482 417 L N 1.340 122.665 121.223 0.170 0.000 2.295 417 L HA 0.146 4.486 4.340 -0.001 0.000 0.285 417 L C -0.621 176.241 176.870 -0.014 0.000 1.035 417 L CA -1.992 52.851 54.840 0.004 0.000 0.806 417 L CB 0.866 42.962 42.059 0.061 0.000 1.214 417 L HN -0.219 nan 8.230 nan 0.000 0.426 418 P HA -0.251 nan 4.420 nan 0.000 0.216 418 P C -0.008 177.271 177.300 -0.034 0.000 1.151 418 P CA 1.572 64.652 63.100 -0.033 0.000 0.953 418 P CB 0.011 31.692 31.700 -0.032 0.000 0.789 419 N N 0.609 119.282 118.700 -0.044 0.000 2.437 419 N HA 0.296 5.035 4.740 -0.001 0.000 0.243 419 N C 0.431 175.848 175.510 -0.156 0.000 1.041 419 N CA 0.109 53.117 53.050 -0.071 0.000 0.940 419 N CB 0.629 39.089 38.487 -0.045 0.000 1.133 419 N HN 0.144 nan 8.380 nan 0.000 0.506 420 G N 0.545 109.252 108.800 -0.155 0.000 2.356 420 G HA2 0.631 4.590 3.960 -0.001 0.000 0.298 420 G HA3 0.631 4.590 3.960 -0.001 0.000 0.298 420 G C -0.790 173.836 174.900 -0.456 0.000 1.145 420 G CA -0.426 44.527 45.100 -0.245 0.000 0.850 420 G HN 0.559 nan 8.290 nan 0.000 0.487 421 A N 2.827 125.187 122.820 -0.768 0.000 2.491 421 A HA 0.629 4.949 4.320 -0.001 0.000 0.293 421 A C -0.567 176.515 177.584 -0.836 0.000 1.047 421 A CA -0.857 50.443 52.037 -1.229 0.000 0.735 421 A CB 0.983 19.102 19.000 -1.468 0.000 1.281 421 A HN 1.110 nan 8.150 nan 0.000 0.398 422 H N 1.351 119.824 119.070 -0.995 0.000 2.496 422 H HA 0.885 5.441 4.556 -0.001 0.000 0.342 422 H C -1.294 174.003 175.328 -0.052 0.000 1.170 422 H CA -1.534 54.324 56.048 -0.316 0.000 1.274 422 H CB 1.561 31.172 29.762 -0.252 0.000 1.538 422 H HN 0.836 nan 8.280 nan 0.000 0.542 423 L N 1.450 122.562 121.223 -0.186 0.000 2.506 423 L HA 0.562 4.902 4.340 -0.001 0.000 0.257 423 L C -2.136 174.490 176.870 -0.407 0.000 0.964 423 L CA -0.654 54.074 54.840 -0.187 0.000 0.836 423 L CB 1.941 44.045 42.059 0.075 0.000 1.384 423 L HN 0.576 nan 8.230 nan 0.000 0.410 424 F N 3.668 123.545 119.950 -0.122 0.000 2.569 424 F HA 0.568 5.095 4.527 -0.001 0.000 0.312 424 F C -0.851 174.948 175.800 -0.002 0.000 1.109 424 F CA -0.488 57.483 58.000 -0.048 0.000 0.919 424 F CB 1.927 40.896 39.000 -0.053 0.000 1.211 424 F HN 0.368 nan 8.300 nan 0.000 0.446 425 F N 1.531 121.522 119.950 0.068 0.000 2.450 425 F HA 0.703 5.229 4.527 -0.001 0.000 0.332 425 F C -0.130 175.694 175.800 0.041 0.000 1.093 425 F CA -0.889 57.097 58.000 -0.024 0.000 1.003 425 F CB 1.670 40.585 39.000 -0.142 0.000 1.151 425 F HN 0.338 nan 8.300 nan 0.000 0.474 426 S N 5.683 120.963 115.700 -0.699 0.000 2.630 426 S HA 0.247 4.717 4.470 -0.001 0.000 0.173 426 S C -2.839 171.480 174.600 -0.468 0.000 1.048 426 S CA -0.746 57.185 58.200 -0.449 0.000 1.172 426 S CB 0.214 63.445 63.200 0.051 0.000 1.638 426 S HN 0.394 nan 8.310 nan 0.000 0.429 427 P HA 0.207 nan 4.420 nan 0.000 0.269 427 P C -0.556 176.574 177.300 -0.283 0.000 1.217 427 P CA -0.258 62.595 63.100 -0.411 0.000 0.783 427 P CB 0.463 31.923 31.700 -0.400 0.000 0.898 428 I N 0.610 121.100 120.570 -0.133 0.000 2.509 428 I HA 0.649 4.818 4.170 -0.001 0.000 0.293 428 I C 0.131 176.170 176.117 -0.131 0.000 1.020 428 I CA -0.958 60.245 61.300 -0.163 0.000 1.088 428 I CB 1.182 39.098 38.000 -0.140 0.000 1.267 428 I HN 0.397 nan 8.210 nan 0.000 0.430 429 A N 6.138 128.842 122.820 -0.193 0.000 2.515 429 A HA 0.648 4.968 4.320 -0.001 0.000 0.296 429 A C -0.387 177.170 177.584 -0.045 0.000 1.094 429 A CA -0.801 51.095 52.037 -0.236 0.000 0.718 429 A CB 1.543 20.226 19.000 -0.528 0.000 1.307 429 A HN 0.646 nan 8.150 nan 0.000 0.408 430 K N 0.007 120.427 120.400 0.033 0.000 2.286 430 K HA 0.290 4.610 4.320 -0.001 0.000 0.256 430 K C -0.501 176.116 176.600 0.028 0.000 0.999 430 K CA -0.100 56.220 56.287 0.055 0.000 0.908 430 K CB 0.448 32.997 32.500 0.082 0.000 0.981 430 K HN 0.336 nan 8.250 nan 0.000 0.500 431 V N 2.109 122.038 119.914 0.026 0.000 2.299 431 V HA 0.113 4.233 4.120 -0.001 0.000 0.255 431 V C -0.110 175.978 176.094 -0.011 0.000 1.100 431 V CA -0.042 62.261 62.300 0.004 0.000 0.938 431 V CB 0.064 31.893 31.823 0.009 0.000 1.139 431 V HN 0.699 nan 8.190 nan 0.000 0.490 432 S N 3.002 118.687 115.700 -0.024 0.000 2.626 432 S HA 0.519 4.989 4.470 -0.001 0.000 0.275 432 S C 1.070 175.633 174.600 -0.061 0.000 1.175 432 S CA 0.091 58.275 58.200 -0.028 0.000 0.982 432 S CB 1.686 64.896 63.200 0.017 0.000 1.093 432 S HN 0.727 nan 8.310 nan 0.000 0.472 433 G N 2.660 111.400 108.800 -0.099 0.000 2.422 433 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.218 433 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.218 433 G C 1.031 175.878 174.900 -0.089 0.000 1.146 433 G CA 1.138 46.149 45.100 -0.149 0.000 0.769 433 G HN 0.808 nan 8.290 nan 0.000 0.547 434 E N 0.308 120.489 120.200 -0.032 0.000 2.017 434 E HA -0.183 4.166 4.350 -0.001 0.000 0.193 434 E C 2.046 178.685 176.600 0.065 0.000 0.997 434 E CA 1.449 57.860 56.400 0.019 0.000 0.804 434 E CB -0.183 29.539 29.700 0.037 0.000 0.757 434 E HN 0.321 nan 8.360 nan 0.000 0.448 435 D N -0.376 120.072 120.400 0.080 0.000 2.117 435 D HA -0.123 4.516 4.640 -0.001 0.000 0.197 435 D C 1.822 178.153 176.300 0.051 0.000 0.987 435 D CA 1.638 55.722 54.000 0.140 0.000 0.829 435 D CB -0.169 40.710 40.800 0.132 0.000 0.961 435 D HN 0.307 nan 8.370 nan 0.000 0.460 436 A N -0.188 122.638 122.820 0.009 0.000 1.908 436 A HA -0.216 4.103 4.320 -0.001 0.000 0.218 436 A C 2.119 179.760 177.584 0.095 0.000 1.181 436 A CA 1.863 53.930 52.037 0.049 0.000 0.627 436 A CB -0.631 18.247 19.000 -0.203 0.000 0.818 436 A HN 0.266 nan 8.150 nan 0.000 0.445 437 M N -1.117 118.504 119.600 0.034 0.000 2.077 437 M HA -0.020 4.460 4.480 -0.001 0.000 0.261 437 M C 2.275 178.717 176.300 0.236 0.000 1.070 437 M CA 2.125 57.510 55.300 0.142 0.000 1.125 437 M CB -0.467 32.169 32.600 0.060 0.000 1.339 437 M HN 0.540 nan 8.290 nan 0.000 0.409 438 M N -0.655 119.057 119.600 0.187 0.000 2.108 438 M HA -0.319 4.160 4.480 -0.001 0.000 0.261 438 M C 2.160 178.648 176.300 0.313 0.000 1.066 438 M CA 2.193 57.642 55.300 0.247 0.000 1.107 438 M CB -0.347 32.425 32.600 0.286 0.000 1.356 438 M HN 0.493 nan 8.290 nan 0.000 0.406 439 Q N -0.656 119.230 119.800 0.144 0.000 1.967 439 Q HA -0.278 4.062 4.340 -0.001 0.000 0.202 439 Q C 2.048 178.196 176.000 0.246 0.000 0.985 439 Q CA 2.205 57.939 55.803 -0.114 0.000 0.839 439 Q CB -0.723 27.608 28.738 -0.678 0.000 0.906 439 Q HN 0.652 nan 8.270 nan 0.000 0.423 440 Y N 0.946 121.382 120.300 0.227 0.000 2.096 440 Y HA -0.365 4.185 4.550 -0.001 0.000 0.278 440 Y C 2.078 178.083 175.900 0.176 0.000 1.192 440 Y CA 1.877 60.165 58.100 0.313 0.000 1.143 440 Y CB -1.145 37.472 38.460 0.262 0.000 0.963 440 Y HN 0.311 nan 8.280 nan 0.000 0.505 441 A N -0.207 122.627 122.820 0.024 0.000 1.869 441 A HA -0.263 4.057 4.320 -0.001 0.000 0.218 441 A C 2.498 180.074 177.584 -0.013 0.000 1.203 441 A CA 3.083 55.044 52.037 -0.127 0.000 0.638 441 A CB -1.538 17.475 19.000 0.021 0.000 0.831 441 A HN 0.373 nan 8.150 nan 0.000 0.450 442 V N 0.049 120.040 119.914 0.128 0.000 2.231 442 V HA -0.336 3.783 4.120 -0.001 0.000 0.250 442 V C 2.797 178.990 176.094 0.164 0.000 1.058 442 V CA 2.802 65.200 62.300 0.164 0.000 1.022 442 V CB -1.642 30.348 31.823 0.278 0.000 0.640 442 V HN 0.716 nan 8.190 nan 0.000 0.445 443 T N -0.489 114.211 114.554 0.245 0.000 2.665 443 T HA -0.319 4.031 4.350 -0.001 0.000 0.268 443 T C 1.902 176.830 174.700 0.381 0.000 1.035 443 T CA 2.058 64.356 62.100 0.329 0.000 1.151 443 T CB -0.286 68.936 68.868 0.590 0.000 0.862 443 T HN 0.473 nan 8.240 nan 0.000 0.438 444 K N 1.285 121.875 120.400 0.317 0.000 2.025 444 K HA -0.127 4.192 4.320 -0.001 0.000 0.207 444 K C 2.465 179.152 176.600 0.144 0.000 1.049 444 K CA 1.390 57.834 56.287 0.261 0.000 0.933 444 K CB -0.189 32.099 32.500 -0.353 0.000 0.714 444 K HN 0.261 nan 8.250 nan 0.000 0.438 445 K N 0.351 120.787 120.400 0.060 0.000 2.107 445 K HA -0.223 4.096 4.320 -0.001 0.000 0.211 445 K C 2.004 178.673 176.600 0.116 0.000 1.049 445 K CA 1.586 57.911 56.287 0.065 0.000 0.927 445 K CB 0.009 32.543 32.500 0.057 0.000 0.714 445 K HN 0.064 nan 8.250 nan 0.000 0.452 446 R N 0.295 120.877 120.500 0.137 0.000 2.090 446 R HA -0.034 4.306 4.340 -0.001 0.000 0.228 446 R C 2.505 178.925 176.300 0.199 0.000 1.110 446 R CA 1.184 57.391 56.100 0.179 0.000 0.973 446 R CB -1.230 29.118 30.300 0.079 0.000 0.869 446 R HN 0.355 nan 8.270 nan 0.000 0.440 447 C N 1.253 120.655 119.300 0.171 0.000 2.413 447 C HA -0.104 4.355 4.460 -0.001 0.000 0.277 447 C C 2.761 177.839 174.990 0.147 0.000 1.265 447 C CA 0.656 59.768 59.018 0.156 0.000 1.752 447 C CB -0.811 27.043 27.740 0.191 0.000 1.998 447 C HN 0.541 nan 8.230 nan 0.000 0.489 448 Q N 1.250 121.133 119.800 0.139 0.000 1.921 448 Q HA -0.243 4.096 4.340 -0.001 0.000 0.208 448 Q C 2.113 178.168 176.000 0.091 0.000 0.994 448 Q CA 1.938 57.803 55.803 0.103 0.000 0.857 448 Q CB -0.326 28.461 28.738 0.082 0.000 0.925 448 Q HN 0.659 nan 8.270 nan 0.000 0.421 449 E N 0.122 120.386 120.200 0.107 0.000 2.197 449 E HA -0.270 4.079 4.350 -0.001 0.000 0.205 449 E C 1.765 178.386 176.600 0.034 0.000 1.029 449 E CA 1.179 57.624 56.400 0.075 0.000 0.828 449 E CB -0.304 29.499 29.700 0.172 0.000 0.737 449 E HN 0.530 nan 8.360 nan 0.000 0.464 450 A N 0.192 123.092 122.820 0.134 0.000 2.172 450 A HA 0.122 4.442 4.320 -0.001 0.000 0.216 450 A C 1.891 179.511 177.584 0.060 0.000 1.154 450 A CA 1.090 53.196 52.037 0.114 0.000 0.701 450 A CB -0.447 18.664 19.000 0.185 0.000 0.789 450 A HN 0.403 nan 8.150 nan 0.000 0.465 451 G N -1.768 107.066 108.800 0.057 0.000 2.143 451 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.249 451 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.249 451 G C 0.001 174.953 174.900 0.087 0.000 0.981 451 G CA 0.324 45.455 45.100 0.053 0.000 0.665 451 G HN 0.443 nan 8.290 nan 0.000 0.528 452 L N 0.902 122.188 121.223 0.104 0.000 2.307 452 L HA 0.403 4.743 4.340 -0.001 0.000 0.282 452 L C -0.195 176.758 176.870 0.138 0.000 1.051 452 L CA -0.941 53.973 54.840 0.123 0.000 0.804 452 L CB 1.093 43.217 42.059 0.108 0.000 1.197 452 L HN 0.012 nan 8.230 nan 0.000 0.431 453 D N 2.657 123.153 120.400 0.160 0.000 2.343 453 D HA 0.096 4.736 4.640 -0.001 0.000 0.255 453 D C -0.274 176.075 176.300 0.081 0.000 1.187 453 D CA 0.031 54.126 54.000 0.159 0.000 0.875 453 D CB 1.221 42.152 40.800 0.218 0.000 1.136 453 D HN 0.150 nan 8.370 nan 0.000 0.469 454 F N 3.471 123.400 119.950 -0.034 0.000 2.506 454 F HA 0.301 4.828 4.527 -0.001 0.000 0.351 454 F C -0.121 175.541 175.800 -0.229 0.000 1.136 454 F CA 0.073 58.028 58.000 -0.074 0.000 1.298 454 F CB 0.373 39.342 39.000 -0.051 0.000 1.145 454 F HN 0.218 nan 8.300 nan 0.000 0.593 455 I N 4.734 124.875 120.570 -0.716 0.000 2.685 455 I HA 0.581 4.750 4.170 -0.001 0.000 0.289 455 I C -0.261 175.498 176.117 -0.596 0.000 1.292 455 I CA -0.558 60.448 61.300 -0.490 0.000 1.050 455 I CB 1.634 39.321 38.000 -0.522 0.000 1.301 455 I HN 0.847 nan 8.210 nan 0.000 0.425 456 G N 3.241 111.962 108.800 -0.130 0.000 2.430 456 G HA2 0.762 4.722 3.960 -0.001 0.000 0.300 456 G HA3 0.762 4.722 3.960 -0.001 0.000 0.300 456 G C -1.564 173.535 174.900 0.331 0.000 1.330 456 G CA -0.389 44.752 45.100 0.067 0.000 0.813 456 G HN 0.470 nan 8.290 nan 0.000 0.487 457 T N -0.422 114.276 114.554 0.239 0.000 2.893 457 T HA 0.468 4.817 4.350 -0.001 0.000 0.337 457 T C -1.834 172.895 174.700 0.049 0.000 1.587 457 T CA -0.472 61.791 62.100 0.272 0.000 1.066 457 T CB 1.388 70.373 68.868 0.195 0.000 1.414 457 T HN 0.443 nan 8.240 nan 0.000 0.488 458 F N 2.886 122.752 119.950 -0.140 0.000 2.313 458 F HA 0.420 4.947 4.527 -0.001 0.000 0.369 458 F C 1.330 177.123 175.800 -0.012 0.000 1.109 458 F CA -0.925 56.988 58.000 -0.146 0.000 1.132 458 F CB 0.798 39.625 39.000 -0.288 0.000 1.291 458 F HN 0.516 nan 8.300 nan 0.000 0.496 459 T N 0.444 115.084 114.554 0.143 0.000 2.856 459 T HA 0.600 4.949 4.350 -0.001 0.000 0.292 459 T C -0.283 174.455 174.700 0.064 0.000 0.980 459 T CA -0.795 61.386 62.100 0.135 0.000 1.091 459 T CB 1.061 69.999 68.868 0.117 0.000 0.936 459 T HN 0.213 nan 8.240 nan 0.000 0.503 460 V N 3.278 123.261 119.914 0.115 0.000 2.406 460 V HA 0.621 4.740 4.120 -0.001 0.000 0.272 460 V C 1.250 177.342 176.094 -0.003 0.000 1.043 460 V CA -0.775 61.568 62.300 0.071 0.000 0.915 460 V CB 0.344 32.246 31.823 0.132 0.000 0.988 460 V HN 1.175 nan 8.190 nan 0.000 0.466 461 G N 2.660 111.424 108.800 -0.060 0.000 2.562 461 G HA2 0.387 4.346 3.960 -0.001 0.000 0.275 461 G HA3 0.387 4.346 3.960 -0.001 0.000 0.275 461 G C 0.535 175.440 174.900 0.008 0.000 1.196 461 G CA -0.637 44.412 45.100 -0.084 0.000 0.908 461 G HN 0.728 nan 8.290 nan 0.000 0.524 462 M N -0.746 118.866 119.600 0.021 0.000 2.296 462 M HA 0.126 4.605 4.480 -0.001 0.000 0.265 462 M C 1.981 178.307 176.300 0.044 0.000 1.064 462 M CA 1.541 56.868 55.300 0.045 0.000 1.109 462 M CB 0.083 32.711 32.600 0.046 0.000 1.396 462 M HN 0.529 nan 8.290 nan 0.000 0.430 463 R N -0.115 120.410 120.500 0.041 0.000 2.527 463 R HA 0.131 4.471 4.340 -0.001 0.000 0.402 463 R C -0.959 175.368 176.300 0.045 0.000 0.933 463 R CA 0.034 56.159 56.100 0.042 0.000 1.171 463 R CB 0.579 30.904 30.300 0.041 0.000 1.612 463 R HN 0.336 nan 8.270 nan 0.000 0.546 464 E N 0.364 120.593 120.200 0.049 0.000 2.445 464 E HA 0.261 4.611 4.350 -0.001 0.000 0.279 464 E C -1.379 175.263 176.600 0.071 0.000 1.018 464 E CA -0.770 55.666 56.400 0.060 0.000 0.816 464 E CB 1.375 31.119 29.700 0.074 0.000 1.356 464 E HN -0.021 nan 8.360 nan 0.000 0.462 465 M N 1.830 121.475 119.600 0.075 0.000 2.213 465 M HA 0.253 4.733 4.480 -0.001 0.000 0.286 465 M C -1.382 174.967 176.300 0.082 0.000 1.008 465 M CA -0.769 54.582 55.300 0.086 0.000 0.937 465 M CB 1.907 34.554 32.600 0.079 0.000 1.600 465 M HN 0.447 nan 8.290 nan 0.000 0.450 466 H N 2.285 121.265 119.070 -0.150 0.000 3.004 466 H HA 0.138 4.694 4.556 -0.001 0.000 0.267 466 H C -0.210 174.991 175.328 -0.212 0.000 1.165 466 H CA 0.123 56.043 56.048 -0.214 0.000 1.450 466 H CB -0.356 29.258 29.762 -0.247 0.000 1.488 466 H HN 0.319 nan 8.280 nan 0.000 0.478 467 H N 5.339 124.184 119.070 -0.374 0.000 3.004 467 H HA 0.061 4.617 4.556 -0.001 0.000 0.267 467 H C -0.367 174.746 175.328 -0.359 0.000 1.165 467 H CA -0.905 54.766 56.048 -0.628 0.000 1.450 467 H CB -0.175 29.081 29.762 -0.842 0.000 1.488 467 H HN 0.431 nan 8.280 nan 0.000 0.478 468 I N 7.829 128.485 120.570 0.144 0.000 2.260 468 I HA 0.011 4.181 4.170 -0.001 0.000 0.297 468 I C 0.247 176.458 176.117 0.155 0.000 1.143 468 I CA -0.547 60.847 61.300 0.156 0.000 1.271 468 I CB -0.199 37.924 38.000 0.205 0.000 1.461 468 I HN 0.189 nan 8.210 nan 0.000 0.530 469 V N 5.537 125.437 119.914 -0.023 0.000 2.439 469 V HA 0.043 4.163 4.120 -0.001 0.000 0.271 469 V C 0.481 176.527 176.094 -0.080 0.000 1.040 469 V CA -0.364 61.838 62.300 -0.165 0.000 1.002 469 V CB 0.446 32.143 31.823 -0.211 0.000 1.000 469 V HN 0.722 nan 8.190 nan 0.000 0.477 470 C N 7.099 126.266 119.300 -0.222 0.000 2.225 470 C HA 0.513 4.973 4.460 -0.001 0.000 0.328 470 C C 0.493 175.325 174.990 -0.263 0.000 1.187 470 C CA -0.826 58.035 59.018 -0.263 0.000 1.665 470 C CB -1.265 26.137 27.740 -0.563 0.000 2.253 470 C HN 0.704 nan 8.230 nan 0.000 0.497 471 I N 4.810 125.293 120.570 -0.145 0.000 2.306 471 I HA 0.288 4.458 4.170 -0.001 0.000 0.288 471 I C 0.497 176.692 176.117 0.129 0.000 1.036 471 I CA -0.023 61.263 61.300 -0.023 0.000 1.221 471 I CB 0.450 38.452 38.000 0.004 0.000 1.385 471 I HN 0.523 nan 8.210 nan 0.000 0.472 472 V N 4.563 124.563 119.914 0.143 0.000 3.262 472 V HA 0.730 4.850 4.120 -0.001 0.000 0.313 472 V C -0.399 175.852 176.094 0.261 0.000 1.070 472 V CA -0.545 61.846 62.300 0.151 0.000 1.049 472 V CB 1.476 33.410 31.823 0.184 0.000 1.157 472 V HN 0.700 nan 8.190 nan 0.000 0.454 473 F N -1.731 118.240 119.950 0.035 0.000 2.793 473 F HA 0.453 4.979 4.527 -0.001 0.000 0.316 473 F C -1.146 174.655 175.800 0.002 0.000 1.147 473 F CA -1.191 56.825 58.000 0.027 0.000 0.930 473 F CB 1.141 40.145 39.000 0.007 0.000 1.277 473 F HN 0.538 nan 8.300 nan 0.000 0.443 474 N N 2.420 121.142 118.700 0.036 0.000 2.402 474 N HA 0.104 4.843 4.740 -0.001 0.000 0.259 474 N C 0.665 176.176 175.510 0.001 0.000 1.167 474 N CA 0.084 53.112 53.050 -0.037 0.000 0.949 474 N CB 1.199 39.715 38.487 0.049 0.000 1.212 474 N HN 0.873 nan 8.380 nan 0.000 0.493 475 K N 2.390 122.663 120.400 -0.211 0.000 2.520 475 K HA -0.113 4.207 4.320 -0.001 0.000 0.197 475 K C 0.495 177.028 176.600 -0.112 0.000 1.043 475 K CA 1.261 57.437 56.287 -0.184 0.000 0.944 475 K CB 0.157 32.441 32.500 -0.361 0.000 0.770 475 K HN 0.403 nan 8.250 nan 0.000 0.480 476 K N 0.403 120.803 120.400 0.000 0.000 2.360 476 K HA 0.018 4.337 4.320 -0.001 0.000 0.196 476 K C -0.097 176.535 176.600 0.054 0.000 1.049 476 K CA 0.067 56.381 56.287 0.045 0.000 1.049 476 K CB 0.459 32.995 32.500 0.060 0.000 0.881 476 K HN 0.097 nan 8.250 nan 0.000 0.542 477 D N 1.604 122.041 120.400 0.061 0.000 2.500 477 D HA 0.041 4.681 4.640 -0.001 0.000 0.219 477 D C 0.793 177.130 176.300 0.062 0.000 1.137 477 D CA -0.334 53.701 54.000 0.059 0.000 0.946 477 D CB 0.638 41.476 40.800 0.063 0.000 1.022 477 D HN -0.153 nan 8.370 nan 0.000 0.518 478 L N 3.365 124.618 121.223 0.049 0.000 2.189 478 L HA -0.189 4.151 4.340 -0.001 0.000 0.214 478 L C 1.992 178.877 176.870 0.025 0.000 1.097 478 L CA 0.974 55.838 54.840 0.040 0.000 0.764 478 L CB -0.708 41.372 42.059 0.036 0.000 0.900 478 L HN 0.457 nan 8.230 nan 0.000 0.436 479 I N -1.097 119.486 120.570 0.021 0.000 2.202 479 I HA -0.267 3.902 4.170 -0.001 0.000 0.242 479 I C 2.664 178.785 176.117 0.007 0.000 1.091 479 I CA 1.255 62.559 61.300 0.007 0.000 1.368 479 I CB -0.688 37.313 38.000 0.001 0.000 1.058 479 I HN 0.362 nan 8.210 nan 0.000 0.410 480 Q N 0.636 120.453 119.800 0.028 0.000 2.079 480 Q HA -0.204 4.136 4.340 -0.001 0.000 0.200 480 Q C 2.191 178.193 176.000 0.004 0.000 0.974 480 Q CA 1.429 57.255 55.803 0.039 0.000 0.840 480 Q CB 0.066 28.859 28.738 0.091 0.000 0.898 480 Q HN 0.400 nan 8.270 nan 0.000 0.430 481 K N -0.000 120.398 120.400 -0.003 0.000 2.063 481 K HA -0.166 4.153 4.320 -0.001 0.000 0.208 481 K C 2.176 178.717 176.600 -0.099 0.000 1.048 481 K CA 1.560 57.771 56.287 -0.127 0.000 0.928 481 K CB -0.098 32.365 32.500 -0.062 0.000 0.713 481 K HN 0.174 nan 8.250 nan 0.000 0.442 482 R N 1.055 121.540 120.500 -0.025 0.000 2.096 482 R HA -0.113 4.227 4.340 -0.001 0.000 0.235 482 R C 2.142 178.477 176.300 0.058 0.000 1.127 482 R CA 1.353 57.460 56.100 0.011 0.000 0.968 482 R CB -0.141 30.167 30.300 0.014 0.000 0.861 482 R HN 0.187 nan 8.270 nan 0.000 0.440 483 K N 0.247 120.666 120.400 0.032 0.000 2.057 483 K HA -0.097 4.222 4.320 -0.001 0.000 0.207 483 K C 2.059 178.751 176.600 0.154 0.000 1.049 483 K CA 1.429 57.760 56.287 0.073 0.000 0.931 483 K CB -0.109 32.405 32.500 0.024 0.000 0.714 483 K HN 0.004 nan 8.250 nan 0.000 0.440 484 V N 1.920 121.840 119.914 0.009 0.000 2.358 484 V HA -0.249 3.871 4.120 -0.001 0.000 0.246 484 V C 2.255 178.321 176.094 -0.046 0.000 1.047 484 V CA 1.662 63.914 62.300 -0.079 0.000 1.035 484 V CB -0.590 31.025 31.823 -0.347 0.000 0.658 484 V HN 0.337 nan 8.190 nan 0.000 0.452 485 Q N -1.331 118.477 119.800 0.013 0.000 2.084 485 Q HA -0.261 4.079 4.340 -0.001 0.000 0.202 485 Q C 2.070 178.137 176.000 0.111 0.000 0.978 485 Q CA 2.158 58.028 55.803 0.112 0.000 0.844 485 Q CB -0.282 28.514 28.738 0.097 0.000 0.898 485 Q HN 0.828 nan 8.270 nan 0.000 0.426 486 W N 1.589 122.868 121.300 -0.034 0.000 2.354 486 W HA -0.252 4.408 4.660 -0.000 0.000 0.315 486 W C 1.896 178.374 176.519 -0.069 0.000 1.206 486 W CA 1.160 58.484 57.345 -0.035 0.000 1.290 486 W CB -0.483 28.956 29.460 -0.035 0.000 1.152 486 W HN 0.143 nan 8.180 nan 0.000 0.489 487 L N 1.049 122.294 121.223 0.036 0.000 1.997 487 L HA -0.311 4.029 4.340 -0.001 0.000 0.216 487 L C 2.416 178.995 176.870 -0.485 0.000 1.074 487 L CA 2.480 57.162 54.840 -0.263 0.000 0.763 487 L CB -1.398 40.679 42.059 0.030 0.000 0.890 487 L HN 0.116 nan 8.230 nan 0.000 0.434 488 M N -0.203 119.170 119.600 -0.380 0.000 2.255 488 M HA -0.258 4.221 4.480 -0.001 0.000 0.260 488 M C 2.396 178.363 176.300 -0.556 0.000 1.069 488 M CA 2.135 57.108 55.300 -0.546 0.000 1.089 488 M CB -1.052 31.155 32.600 -0.654 0.000 1.269 488 M HN 0.347 nan 8.290 nan 0.000 0.434 489 R N -1.204 119.101 120.500 -0.326 0.000 2.159 489 R HA -0.119 4.221 4.340 -0.001 0.000 0.237 489 R C 1.974 178.059 176.300 -0.358 0.000 1.131 489 R CA 1.721 57.694 56.100 -0.212 0.000 0.982 489 R CB -0.902 29.371 30.300 -0.045 0.000 0.868 489 R HN 0.483 nan 8.270 nan 0.000 0.453 490 T N 1.835 116.039 114.554 -0.583 0.000 2.732 490 T HA -0.029 4.320 4.350 -0.001 0.000 0.261 490 T C 2.017 176.422 174.700 -0.491 0.000 1.040 490 T CA 0.835 62.541 62.100 -0.657 0.000 1.145 490 T CB -0.182 67.993 68.868 -1.155 0.000 0.866 490 T HN 0.104 nan 8.240 nan 0.000 0.427 491 L N 0.576 121.441 121.223 -0.595 0.000 2.079 491 L HA -0.097 4.242 4.340 -0.001 0.000 0.210 491 L C 2.490 179.045 176.870 -0.525 0.000 1.081 491 L CA 1.204 55.679 54.840 -0.609 0.000 0.752 491 L CB -0.674 40.736 42.059 -1.081 0.000 0.896 491 L HN 0.286 nan 8.230 nan 0.000 0.433 492 I N -0.233 119.993 120.570 -0.573 0.000 2.163 492 I HA -0.336 3.834 4.170 -0.001 0.000 0.243 492 I C 2.111 178.176 176.117 -0.087 0.000 1.085 492 I CA 1.394 62.563 61.300 -0.219 0.000 1.347 492 I CB -0.545 37.368 38.000 -0.144 0.000 1.044 492 I HN 0.309 nan 8.210 nan 0.000 0.408 493 D N 0.886 121.202 120.400 -0.141 0.000 2.117 493 D HA -0.169 4.471 4.640 -0.001 0.000 0.197 493 D C 1.774 178.028 176.300 -0.076 0.000 0.987 493 D CA 1.290 55.232 54.000 -0.098 0.000 0.829 493 D CB -0.381 40.352 40.800 -0.112 0.000 0.961 493 D HN 0.343 nan 8.370 nan 0.000 0.460 494 D N -0.014 120.340 120.400 -0.076 0.000 2.084 494 D HA -0.083 4.556 4.640 -0.001 0.000 0.196 494 D C 2.337 178.639 176.300 0.003 0.000 0.985 494 D CA 0.556 54.537 54.000 -0.033 0.000 0.826 494 D CB -0.710 40.097 40.800 0.011 0.000 0.978 494 D HN 0.194 nan 8.370 nan 0.000 0.456 495 C N 1.451 120.830 119.300 0.130 0.000 2.393 495 C HA -0.148 4.312 4.460 -0.001 0.000 0.276 495 C C 2.935 177.920 174.990 -0.008 0.000 1.215 495 C CA 1.102 60.294 59.018 0.291 0.000 1.743 495 C CB -1.165 26.947 27.740 0.619 0.000 2.044 495 C HN 0.385 nan 8.230 nan 0.000 0.464 496 A N 0.356 123.163 122.820 -0.021 0.000 1.972 496 A HA 0.085 4.404 4.320 -0.001 0.000 0.219 496 A C 2.337 179.809 177.584 -0.187 0.000 1.169 496 A CA 1.984 53.948 52.037 -0.123 0.000 0.635 496 A CB -0.794 18.149 19.000 -0.096 0.000 0.810 496 A HN 0.641 nan 8.150 nan 0.000 0.446 497 A N 0.002 122.725 122.820 -0.161 0.000 2.024 497 A HA -0.164 4.155 4.320 -0.001 0.000 0.220 497 A C 1.770 179.200 177.584 -0.257 0.000 1.164 497 A CA 1.560 53.499 52.037 -0.163 0.000 0.643 497 A CB -0.443 18.487 19.000 -0.116 0.000 0.806 497 A HN 0.594 nan 8.150 nan 0.000 0.451 498 N N -1.122 117.317 118.700 -0.435 0.000 2.280 498 N HA 0.151 4.890 4.740 -0.001 0.000 0.192 498 N C 0.827 175.764 175.510 -0.956 0.000 1.109 498 N CA 0.852 53.437 53.050 -0.775 0.000 0.855 498 N CB 0.522 38.214 38.487 -1.324 0.000 0.974 498 N HN 0.598 nan 8.380 nan 0.000 0.482 499 G N 0.889 109.314 108.800 -0.626 0.000 2.204 499 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.244 499 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.244 499 G C -0.920 173.716 174.900 -0.440 0.000 1.062 499 G CA -0.441 44.376 45.100 -0.470 0.000 0.798 499 G HN 0.168 nan 8.290 nan 0.000 0.496 500 W N -0.352 120.928 121.300 -0.034 0.000 2.839 500 W HA 0.696 5.355 4.660 -0.001 0.000 0.334 500 W C 0.429 176.915 176.519 -0.055 0.000 1.064 500 W CA -1.302 56.024 57.345 -0.031 0.000 1.236 500 W CB 1.804 31.260 29.460 -0.006 0.000 1.405 500 W HN 0.572 nan 8.180 nan 0.000 0.478 501 G N 1.135 110.033 108.800 0.164 0.000 2.434 501 G HA2 0.487 4.446 3.960 -0.001 0.000 0.330 501 G HA3 0.487 4.446 3.960 -0.001 0.000 0.330 501 G C -0.950 174.041 174.900 0.151 0.000 1.155 501 G CA -0.486 44.658 45.100 0.073 0.000 0.917 501 G HN 0.390 nan 8.290 nan 0.000 0.493 502 E N -0.836 119.482 120.200 0.198 0.000 2.312 502 E HA 0.364 4.713 4.350 -0.001 0.000 0.259 502 E C -0.129 176.618 176.600 0.245 0.000 1.122 502 E CA -0.689 55.808 56.400 0.162 0.000 0.922 502 E CB 0.749 30.569 29.700 0.199 0.000 1.109 502 E HN 0.540 nan 8.360 nan 0.000 0.442 503 Y N 1.333 121.615 120.300 -0.030 0.000 2.563 503 Y HA 0.483 5.032 4.550 -0.001 0.000 0.250 503 Y C -0.311 175.536 175.900 -0.088 0.000 1.126 503 Y CA -0.703 57.351 58.100 -0.077 0.000 1.231 503 Y CB 0.611 38.949 38.460 -0.205 0.000 1.288 503 Y HN 0.351 nan 8.280 nan 0.000 0.537 504 R N 0.257 120.588 120.500 -0.282 0.000 2.664 504 R HA 0.633 4.972 4.340 -0.001 0.000 0.266 504 R C -1.738 174.542 176.300 -0.033 0.000 1.046 504 R CA -0.057 55.740 56.100 -0.504 0.000 0.885 504 R CB 1.712 31.322 30.300 -1.149 0.000 1.254 504 R HN 0.228 nan 8.270 nan 0.000 0.465 505 T N 0.485 115.039 114.554 -0.000 0.000 2.733 505 T HA 0.196 4.545 4.350 -0.001 0.000 0.312 505 T C -1.363 173.741 174.700 0.673 0.000 1.590 505 T CA -0.855 61.564 62.100 0.531 0.000 1.005 505 T CB 0.781 69.874 68.868 0.376 0.000 1.528 505 T HN 0.611 nan 8.240 nan 0.000 0.496 506 H N 0.663 120.118 119.070 0.642 0.000 2.671 506 H HA 0.320 4.876 4.556 -0.001 0.000 0.372 506 H C 1.049 176.559 175.328 0.303 0.000 1.227 506 H CA -0.102 56.250 56.048 0.506 0.000 1.426 506 H CB 0.539 30.608 29.762 0.511 0.000 1.480 506 H HN 0.554 nan 8.280 nan 0.000 0.611 507 L N 2.298 123.299 121.223 -0.371 0.000 1.990 507 L HA -0.225 4.115 4.340 -0.001 0.000 0.213 507 L C 2.593 179.447 176.870 -0.026 0.000 1.072 507 L CA 1.692 56.325 54.840 -0.344 0.000 0.755 507 L CB -0.792 40.618 42.059 -1.082 0.000 0.889 507 L HN 0.714 nan 8.230 nan 0.000 0.432 508 A N -1.341 121.659 122.820 0.301 0.000 2.277 508 A HA -0.104 4.215 4.320 -0.001 0.000 0.208 508 A C 1.119 178.270 177.584 -0.723 0.000 1.202 508 A CA 1.175 53.117 52.037 -0.160 0.000 0.762 508 A CB -0.683 18.097 19.000 -0.365 0.000 0.770 508 A HN 0.512 nan 8.150 nan 0.000 0.487 509 F N -3.103 116.982 119.950 0.226 0.000 2.974 509 F HA 0.237 4.764 4.527 -0.001 0.000 0.357 509 F C 1.660 177.553 175.800 0.155 0.000 1.114 509 F CA -0.336 57.760 58.000 0.161 0.000 1.099 509 F CB -0.410 38.675 39.000 0.141 0.000 1.205 509 F HN 0.034 nan 8.300 nan 0.000 0.535 510 M N 0.178 119.943 119.600 0.275 0.000 2.143 510 M HA -0.256 4.223 4.480 -0.001 0.000 0.258 510 M C 1.475 177.884 176.300 0.181 0.000 1.071 510 M CA 1.788 57.199 55.300 0.185 0.000 1.088 510 M CB -0.440 32.205 32.600 0.076 0.000 1.360 510 M HN 0.107 nan 8.290 nan 0.000 0.404 511 D N -0.003 120.518 120.400 0.202 0.000 2.084 511 D HA -0.173 4.466 4.640 -0.001 0.000 0.196 511 D C 1.967 178.381 176.300 0.190 0.000 0.985 511 D CA 1.312 55.437 54.000 0.208 0.000 0.826 511 D CB -0.360 40.590 40.800 0.250 0.000 0.978 511 D HN 0.486 nan 8.370 nan 0.000 0.456 512 Q N 0.366 120.284 119.800 0.196 0.000 2.084 512 Q HA -0.132 4.207 4.340 -0.001 0.000 0.202 512 Q C 2.418 178.524 176.000 0.177 0.000 0.978 512 Q CA 1.021 56.926 55.803 0.170 0.000 0.844 512 Q CB -0.056 28.798 28.738 0.192 0.000 0.898 512 Q HN 0.281 nan 8.270 nan 0.000 0.426 513 I N 0.192 120.897 120.570 0.226 0.000 2.179 513 I HA -0.283 3.886 4.170 -0.001 0.000 0.242 513 I C 2.485 178.772 176.117 0.283 0.000 1.088 513 I CA 1.049 62.492 61.300 0.239 0.000 1.357 513 I CB -0.239 37.921 38.000 0.266 0.000 1.051 513 I HN 0.404 nan 8.210 nan 0.000 0.409 514 M N 1.093 120.845 119.600 0.255 0.000 2.213 514 M HA -0.216 4.264 4.480 -0.001 0.000 0.263 514 M C 1.929 178.400 176.300 0.284 0.000 1.062 514 M CA 1.786 57.258 55.300 0.287 0.000 1.105 514 M CB -0.437 32.282 32.600 0.197 0.000 1.385 514 M HN 0.032 nan 8.290 nan 0.000 0.417 515 E N -0.650 119.670 120.200 0.199 0.000 2.268 515 E HA -0.129 4.220 4.350 -0.001 0.000 0.195 515 E C 1.803 178.468 176.600 0.108 0.000 0.995 515 E CA 1.668 58.159 56.400 0.151 0.000 0.836 515 E CB -0.509 29.259 29.700 0.113 0.000 0.763 515 E HN 0.711 nan 8.360 nan 0.000 0.491 516 T N -1.971 112.622 114.554 0.066 0.000 2.788 516 T HA -0.207 4.143 4.350 -0.001 0.000 0.268 516 T C 1.130 175.734 174.700 -0.160 0.000 1.044 516 T CA 0.892 62.940 62.100 -0.087 0.000 1.139 516 T CB -0.697 68.050 68.868 -0.202 0.000 0.867 516 T HN 0.193 nan 8.240 nan 0.000 0.454 517 Y N 3.777 124.106 120.300 0.049 0.000 2.922 517 Y HA 0.191 4.741 4.550 -0.001 0.000 0.379 517 Y C 1.261 177.213 175.900 0.086 0.000 1.057 517 Y CA -0.538 57.574 58.100 0.019 0.000 1.687 517 Y CB -1.217 37.201 38.460 -0.070 0.000 1.707 517 Y HN 0.513 nan 8.280 nan 0.000 0.462 518 N N -1.879 116.917 118.700 0.160 0.000 2.362 518 N HA -0.111 4.629 4.740 -0.001 0.000 0.211 518 N C -0.051 175.570 175.510 0.185 0.000 1.170 518 N CA -0.470 52.681 53.050 0.169 0.000 0.828 518 N CB -0.441 38.111 38.487 0.109 0.000 1.034 518 N HN 0.375 nan 8.380 nan 0.000 0.475 519 W N 2.240 123.574 121.300 0.056 0.000 2.274 519 W HA 0.001 4.661 4.660 -0.001 0.000 0.345 519 W C 0.938 177.493 176.519 0.059 0.000 1.265 519 W CA 0.924 58.294 57.345 0.041 0.000 1.293 519 W CB -0.015 29.462 29.460 0.028 0.000 1.175 519 W HN 0.489 nan 8.180 nan 0.000 0.577 520 N N 4.477 122.583 118.700 -0.991 0.000 2.708 520 N HA -0.369 4.371 4.740 -0.001 0.000 0.251 520 N C -0.384 174.908 175.510 -0.364 0.000 1.017 520 N CA 0.951 53.434 53.050 -0.946 0.000 0.742 520 N CB -1.187 36.425 38.487 -1.459 0.000 0.943 520 N HN 0.740 nan 8.380 nan 0.000 0.539 521 N N -0.963 117.621 118.700 -0.194 0.000 2.814 521 N HA -0.158 4.582 4.740 -0.001 0.000 0.247 521 N C -0.066 175.454 175.510 0.016 0.000 1.089 521 N CA 1.246 54.254 53.050 -0.069 0.000 0.682 521 N CB -1.706 36.730 38.487 -0.084 0.000 0.970 521 N HN 0.535 nan 8.380 nan 0.000 0.554 522 S N -2.857 112.892 115.700 0.082 0.000 3.261 522 S HA -0.286 4.184 4.470 -0.001 0.000 0.287 522 S C 1.436 176.149 174.600 0.188 0.000 1.281 522 S CA 1.357 59.652 58.200 0.159 0.000 1.053 522 S CB -1.430 61.847 63.200 0.128 0.000 1.251 522 S HN 0.779 nan 8.310 nan 0.000 0.659 523 S N -0.001 115.791 115.700 0.153 0.000 2.399 523 S HA -0.251 4.219 4.470 -0.001 0.000 0.235 523 S C 1.276 176.023 174.600 0.245 0.000 1.063 523 S CA 2.233 60.528 58.200 0.158 0.000 1.070 523 S CB -0.340 62.929 63.200 0.115 0.000 0.904 523 S HN 0.685 nan 8.310 nan 0.000 0.456 524 F N 1.391 121.431 119.950 0.150 0.000 2.074 524 F HA 0.064 4.591 4.527 -0.001 0.000 0.293 524 F C 1.931 177.827 175.800 0.161 0.000 1.116 524 F CA 1.504 59.594 58.000 0.149 0.000 1.212 524 F CB -0.871 38.207 39.000 0.129 0.000 0.998 524 F HN 0.286 nan 8.300 nan 0.000 0.471 525 L N 1.422 122.801 121.223 0.260 0.000 2.051 525 L HA -0.240 4.100 4.340 -0.001 0.000 0.214 525 L C 2.465 179.351 176.870 0.027 0.000 1.076 525 L CA 1.785 56.679 54.840 0.090 0.000 0.758 525 L CB -0.906 41.259 42.059 0.176 0.000 0.890 525 L HN 0.090 nan 8.230 nan 0.000 0.433 526 R N -1.018 119.541 120.500 0.099 0.000 2.080 526 R HA -0.219 4.121 4.340 -0.001 0.000 0.236 526 R C 2.254 178.592 176.300 0.063 0.000 1.137 526 R CA 1.914 58.070 56.100 0.094 0.000 0.943 526 R CB -1.580 28.790 30.300 0.116 0.000 0.846 526 R HN 0.438 nan 8.270 nan 0.000 0.431 527 F N 2.796 122.696 119.950 -0.085 0.000 2.091 527 F HA -0.230 4.296 4.527 -0.001 0.000 0.299 527 F C 2.052 177.744 175.800 -0.180 0.000 1.103 527 F CA 1.422 59.350 58.000 -0.120 0.000 1.228 527 F CB -0.436 38.480 39.000 -0.140 0.000 0.984 527 F HN 0.042 nan 8.300 nan 0.000 0.477 528 N N 0.556 119.135 118.700 -0.202 0.000 2.043 528 N HA -0.226 4.513 4.740 -0.001 0.000 0.193 528 N C 1.772 177.131 175.510 -0.252 0.000 1.037 528 N CA 2.040 54.897 53.050 -0.321 0.000 0.851 528 N CB -0.521 37.735 38.487 -0.384 0.000 1.027 528 N HN 0.503 nan 8.380 nan 0.000 0.422 529 E N 0.625 120.743 120.200 -0.137 0.000 2.070 529 E HA -0.161 4.189 4.350 -0.001 0.000 0.197 529 E C 2.130 178.666 176.600 -0.105 0.000 1.004 529 E CA 1.036 57.399 56.400 -0.061 0.000 0.805 529 E CB -0.134 29.597 29.700 0.051 0.000 0.744 529 E HN 0.099 nan 8.360 nan 0.000 0.451 530 V N 1.524 121.346 119.914 -0.154 0.000 2.282 530 V HA -0.285 3.834 4.120 -0.001 0.000 0.249 530 V C 2.298 178.248 176.094 -0.240 0.000 1.057 530 V CA 1.676 63.865 62.300 -0.184 0.000 1.032 530 V CB -0.457 31.212 31.823 -0.256 0.000 0.645 530 V HN 0.277 nan 8.190 nan 0.000 0.447 531 L N -0.347 120.659 121.223 -0.362 0.000 2.056 531 L HA -0.165 4.175 4.340 -0.001 0.000 0.207 531 L C 2.585 179.326 176.870 -0.216 0.000 1.078 531 L CA 1.676 56.316 54.840 -0.333 0.000 0.749 531 L CB -0.670 41.130 42.059 -0.431 0.000 0.901 531 L HN 0.286 nan 8.230 nan 0.000 0.433 532 K N 0.718 121.004 120.400 -0.190 0.000 2.103 532 K HA -0.158 4.162 4.320 -0.001 0.000 0.207 532 K C 1.818 178.370 176.600 -0.081 0.000 1.048 532 K CA 1.370 57.577 56.287 -0.133 0.000 0.930 532 K CB -0.211 32.221 32.500 -0.113 0.000 0.716 532 K HN 0.231 nan 8.250 nan 0.000 0.444 533 N N 0.561 119.216 118.700 -0.074 0.000 2.039 533 N HA -0.158 4.581 4.740 -0.001 0.000 0.193 533 N C 1.732 177.215 175.510 -0.044 0.000 1.044 533 N CA 1.694 54.720 53.050 -0.040 0.000 0.847 533 N CB -0.654 37.823 38.487 -0.016 0.000 1.030 533 N HN 0.323 nan 8.380 nan 0.000 0.422 534 A N 1.129 123.906 122.820 -0.070 0.000 1.884 534 A HA -0.177 4.143 4.320 -0.001 0.000 0.219 534 A C 2.440 179.996 177.584 -0.048 0.000 1.197 534 A CA 2.677 54.677 52.037 -0.062 0.000 0.637 534 A CB -1.021 17.924 19.000 -0.090 0.000 0.827 534 A HN 0.278 nan 8.150 nan 0.000 0.450 535 V N -3.340 116.538 119.914 -0.060 0.000 3.129 535 V HA 0.137 4.257 4.120 -0.001 0.000 0.259 535 V C 0.697 176.779 176.094 -0.021 0.000 1.116 535 V CA 1.887 64.163 62.300 -0.039 0.000 1.127 535 V CB -0.098 31.693 31.823 -0.053 0.000 0.742 535 V HN 0.446 nan 8.190 nan 0.000 0.474 536 D N 0.213 120.601 120.400 -0.020 0.000 2.945 536 D HA 0.344 4.984 4.640 -0.001 0.000 0.340 536 D C -1.532 174.780 176.300 0.020 0.000 1.240 536 D CA -1.900 52.102 54.000 0.003 0.000 0.749 536 D CB 1.079 41.877 40.800 -0.003 0.000 1.217 536 D HN 0.211 nan 8.370 nan 0.000 0.514 537 P HA -0.211 nan 4.420 nan 0.000 0.222 537 P C 0.910 178.231 177.300 0.035 0.000 1.155 537 P CA 1.293 64.403 63.100 0.016 0.000 0.890 537 P CB 0.251 31.957 31.700 0.010 0.000 0.790 538 N N -1.913 116.815 118.700 0.047 0.000 2.412 538 N HA 0.062 4.802 4.740 -0.001 0.000 0.184 538 N C 1.467 177.047 175.510 0.116 0.000 1.101 538 N CA 1.198 54.291 53.050 0.071 0.000 0.881 538 N CB -0.410 38.123 38.487 0.076 0.000 0.969 538 N HN 0.275 nan 8.380 nan 0.000 0.459 539 G N 1.076 109.949 108.800 0.122 0.000 2.168 539 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.263 539 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.263 539 G C 0.950 175.953 174.900 0.170 0.000 0.977 539 G CA 0.255 45.465 45.100 0.182 0.000 0.659 539 G HN 0.273 nan 8.290 nan 0.000 0.533 540 I N 0.463 121.117 120.570 0.140 0.000 2.361 540 I HA 0.011 4.180 4.170 -0.001 0.000 0.251 540 I C 1.523 177.701 176.117 0.102 0.000 1.133 540 I CA 0.522 61.913 61.300 0.152 0.000 1.413 540 I CB -0.741 37.343 38.000 0.141 0.000 1.073 540 I HN 0.141 nan 8.210 nan 0.000 0.424 541 I N 1.898 122.493 120.570 0.043 0.000 2.363 541 I HA 0.108 4.278 4.170 -0.001 0.000 0.292 541 I C 1.281 177.354 176.117 -0.073 0.000 1.075 541 I CA -0.496 60.793 61.300 -0.018 0.000 1.333 541 I CB -0.417 37.549 38.000 -0.057 0.000 1.415 541 I HN 0.198 nan 8.210 nan 0.000 0.502 542 A N 8.024 130.801 122.820 -0.071 0.000 2.352 542 A HA -0.156 4.164 4.320 -0.001 0.000 0.286 542 A C -1.963 175.548 177.584 -0.121 0.000 1.415 542 A CA -0.243 51.733 52.037 -0.102 0.000 0.784 542 A CB -1.899 16.807 19.000 -0.489 0.000 1.065 542 A HN 0.554 nan 8.150 nan 0.000 0.378 543 P HA 0.350 nan 4.420 nan 0.000 0.266 543 P C 1.237 178.145 177.300 -0.653 0.000 1.195 543 P CA 1.413 64.260 63.100 -0.423 0.000 0.768 543 P CB 0.681 31.969 31.700 -0.687 0.000 0.838 544 G N 0.831 108.866 108.800 -1.275 0.000 2.217 544 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.246 544 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.246 544 G C 0.252 174.599 174.900 -0.922 0.000 0.990 544 G CA 0.320 44.095 45.100 -2.209 0.000 0.627 544 G HN 0.780 nan 8.290 nan 0.000 0.522 545 K N 1.430 121.553 120.400 -0.462 0.000 2.451 545 K HA 0.483 4.803 4.320 -0.001 0.000 0.280 545 K C 1.239 177.675 176.600 -0.273 0.000 1.020 545 K CA 1.072 57.215 56.287 -0.240 0.000 1.008 545 K CB 0.176 32.527 32.500 -0.248 0.000 0.917 545 K HN 0.826 nan 8.250 nan 0.000 0.478 546 S N 2.580 118.174 115.700 -0.178 0.000 3.476 546 S HA -0.171 4.299 4.470 -0.001 0.000 0.309 546 S C 0.768 175.299 174.600 -0.114 0.000 1.222 546 S CA 1.067 59.191 58.200 -0.128 0.000 0.922 546 S CB -2.149 60.964 63.200 -0.144 0.000 1.023 546 S HN 1.438 nan 8.310 nan 0.000 0.591 547 G N -0.977 107.705 108.800 -0.196 0.000 2.198 547 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.260 547 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.260 547 G C -0.029 174.683 174.900 -0.314 0.000 1.025 547 G CA 0.127 45.105 45.100 -0.204 0.000 0.769 547 G HN 1.268 nan 8.290 nan 0.000 0.507 548 V N -0.450 119.208 119.914 -0.427 0.000 2.427 548 V HA 0.731 4.851 4.120 -0.001 0.000 0.286 548 V C -0.046 175.793 176.094 -0.424 0.000 1.034 548 V CA -0.576 61.550 62.300 -0.289 0.000 0.893 548 V CB 1.002 32.707 31.823 -0.197 0.000 0.982 548 V HN 0.325 nan 8.190 nan 0.000 0.452 549 W N 5.288 126.609 121.300 0.035 0.000 2.683 549 W HA 0.560 5.219 4.660 -0.001 0.000 0.329 549 W C -2.471 174.122 176.519 0.125 0.000 1.037 549 W CA -2.274 55.107 57.345 0.060 0.000 1.232 549 W CB 1.404 30.997 29.460 0.221 0.000 1.390 549 W HN 0.332 nan 8.180 nan 0.000 0.465 550 P HA 0.011 nan 4.420 nan 0.000 0.268 550 P C 0.942 178.431 177.300 0.315 0.000 1.205 550 P CA 0.128 63.386 63.100 0.263 0.000 0.771 550 P CB 1.006 32.875 31.700 0.281 0.000 0.858 551 S N 1.745 117.543 115.700 0.163 0.000 2.462 551 S HA -0.256 4.213 4.470 -0.001 0.000 0.243 551 S C 1.455 176.085 174.600 0.050 0.000 1.003 551 S CA 0.886 59.129 58.200 0.073 0.000 0.970 551 S CB -0.917 62.295 63.200 0.020 0.000 0.762 551 S HN 0.551 nan 8.310 nan 0.000 0.510 552 Q N 0.029 119.878 119.800 0.081 0.000 2.364 552 Q HA -0.001 4.339 4.340 -0.001 0.000 0.207 552 Q C -0.366 175.448 176.000 -0.310 0.000 0.970 552 Q CA 0.717 56.469 55.803 -0.085 0.000 0.888 552 Q CB -0.811 27.886 28.738 -0.067 0.000 0.951 552 Q HN 0.727 nan 8.270 nan 0.000 0.469 553 Y N 1.261 121.581 120.300 0.033 0.000 2.335 553 Y HA 0.255 4.805 4.550 -0.001 0.000 0.339 553 Y C 0.363 176.291 175.900 0.047 0.000 0.987 553 Y CA -0.918 57.187 58.100 0.009 0.000 1.140 553 Y CB 1.670 40.097 38.460 -0.055 0.000 1.173 553 Y HN -0.114 nan 8.280 nan 0.000 0.486 554 S N 3.385 119.262 115.700 0.296 0.000 2.509 554 S HA -0.043 4.427 4.470 -0.001 0.000 0.287 554 S C 1.005 175.687 174.600 0.138 0.000 1.248 554 S CA -0.383 57.909 58.200 0.152 0.000 1.089 554 S CB 0.074 63.331 63.200 0.095 0.000 0.900 554 S HN 0.658 nan 8.310 nan 0.000 0.496 555 H N 4.102 123.162 119.070 -0.016 0.000 2.457 555 H HA -0.009 4.547 4.556 -0.001 0.000 0.294 555 H C 2.007 177.284 175.328 -0.086 0.000 1.064 555 H CA 1.221 57.208 56.048 -0.103 0.000 1.330 555 H CB -0.371 29.396 29.762 0.007 0.000 1.395 555 H HN 0.473 nan 8.280 nan 0.000 0.541 556 V N 0.219 120.174 119.914 0.069 0.000 2.307 556 V HA -0.203 3.917 4.120 -0.001 0.000 0.245 556 V C 2.267 178.303 176.094 -0.096 0.000 1.045 556 V CA 2.220 64.517 62.300 -0.005 0.000 1.024 556 V CB -0.594 31.217 31.823 -0.020 0.000 0.651 556 V HN 0.425 nan 8.190 nan 0.000 0.449 557 T N -1.530 112.922 114.554 -0.170 0.000 2.985 557 T HA -0.123 4.226 4.350 -0.001 0.000 0.266 557 T C 1.427 175.750 174.700 -0.629 0.000 1.076 557 T CA 1.262 63.106 62.100 -0.427 0.000 1.135 557 T CB -0.237 68.288 68.868 -0.571 0.000 0.890 557 T HN 0.627 nan 8.240 nan 0.000 0.480 558 W N 1.679 122.811 121.300 -0.281 0.000 2.574 558 W HA 0.295 4.955 4.660 -0.000 0.000 0.282 558 W C 1.137 177.477 176.519 -0.299 0.000 1.197 558 W CA -0.503 56.546 57.345 -0.493 0.000 1.376 558 W CB -0.096 28.635 29.460 -1.214 0.000 1.091 558 W HN -0.021 nan 8.180 nan 0.000 0.569 559 K N 0.950 121.337 120.400 -0.022 0.000 2.185 559 K HA 0.347 4.667 4.320 -0.001 0.000 0.245 559 K C -0.113 176.588 176.600 0.168 0.000 1.035 559 K CA 0.342 56.737 56.287 0.181 0.000 0.847 559 K CB 0.129 32.712 32.500 0.139 0.000 1.056 559 K HN -0.066 nan 8.250 nan 0.000 0.518 560 L N 0.000 121.327 121.223 0.173 0.000 2.949 560 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 560 L CA 0.000 54.901 54.840 0.101 0.000 0.813 560 L CB 0.000 42.114 42.059 0.092 0.000 0.961 560 L HN 0.000 nan 8.230 nan 0.000 0.502