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 1gk2_1_B DATA FIRST_RESID 1 DATA SEQUENCE TELTLKPGTL TLAQLRAIHA APVRLQLDAS AAPAIDASVA CVEQIIAEDR DATA SEQUENCE TAYGINTGFG LLASTRIASH DLENLQRSLV LSHAAGIGAP LDDDLVRLIM DATA SEQUENCE VLKINSLSRG FSGIRRKVID ALIALVNAEV YPHIPLKGSV GASGDLAPLA DATA SEQUENCE HMSLVLLGEG KARYKGQWLS ATEALAVAGL EPLTLAAKEG LALLNGTQAS DATA SEQUENCE TAYALRGLFY AEDLYAAAIA CGGLSVEAVL GSRSPFDARI HEARGQRGQI DATA SEQUENCE DTAACFRDLL GDSSEVSLSH KNADKVQDPY SLRCQPQVMG ACLTQLRQAA DATA SEQUENCE EVLGIEANAV SDNPLVFAAE GDVISGGNGH AEPVAMAADN LALAIAEIGS DATA SEQUENCE LSERRISLMM DKHMSQLPPF LVENGGVNSG FMIAQVTAAA LASENKALSH DATA SEQUENCE PHSVDSLPTS ANQEDHVSMA PAAGKRLWEM AENTRGVLAI EWLGACQGLD DATA SEQUENCE LRKGLKTSAK LEKARQALRS EVAHYDRDRF FAPDIEKAVE LLAKGSLTGL DATA SEQUENCE LPAGVLPSL 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 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.705 174.700 0.009 0.000 1.109 1 T CA 0.000 62.103 62.100 0.004 0.000 1.349 1 T CB 0.000 68.871 68.868 0.004 0.000 0.612 2 E N 2.097 122.302 120.200 0.009 0.000 2.152 2 E HA 0.333 4.242 4.350 -0.735 0.000 0.285 2 E C -0.876 175.732 176.600 0.013 0.000 1.043 2 E CA -0.467 55.941 56.400 0.012 0.000 0.839 2 E CB 1.107 30.813 29.700 0.010 0.000 1.069 2 E HN 0.227 nan 8.360 nan 0.000 0.399 3 L N 4.536 125.770 121.223 0.017 0.000 2.278 3 L HA 0.193 4.092 4.340 -0.735 0.000 0.287 3 L C -0.358 176.523 176.870 0.019 0.000 1.072 3 L CA 0.177 55.028 54.840 0.019 0.000 0.819 3 L CB 0.999 43.072 42.059 0.024 0.000 1.176 3 L HN 0.217 nan 8.230 nan 0.000 0.435 4 T N 6.843 121.407 114.554 0.017 0.000 2.762 4 T HA 0.346 4.255 4.350 -0.735 0.000 0.303 4 T C -0.452 174.259 174.700 0.019 0.000 0.977 4 T CA -0.203 61.907 62.100 0.017 0.000 0.961 4 T CB 0.332 69.208 68.868 0.013 0.000 0.944 4 T HN 0.456 nan 8.240 nan 0.000 0.481 5 L N 4.641 125.877 121.223 0.022 0.000 2.265 5 L HA 0.432 4.332 4.340 -0.735 0.000 0.288 5 L C -0.117 176.769 176.870 0.026 0.000 1.058 5 L CA -0.166 54.690 54.840 0.026 0.000 0.809 5 L CB 0.281 42.358 42.059 0.031 0.000 1.179 5 L HN 0.382 nan 8.230 nan 0.000 0.429 6 K N 7.258 127.674 120.400 0.028 0.000 2.268 6 K HA 0.387 4.267 4.320 -0.735 0.000 0.276 6 K C -2.347 174.276 176.600 0.038 0.000 1.080 6 K CA -1.628 54.677 56.287 0.030 0.000 0.910 6 K CB 0.612 33.129 32.500 0.028 0.000 1.163 6 K HN 0.434 nan 8.250 nan 0.000 0.465 7 P HA -0.072 nan 4.420 nan 0.000 0.264 7 P C 0.675 178.012 177.300 0.061 0.000 1.183 7 P CA 0.793 63.925 63.100 0.054 0.000 0.763 7 P CB 0.707 32.444 31.700 0.061 0.000 0.807 8 G N 1.990 110.825 108.800 0.058 0.000 2.176 8 G HA2 -0.247 3.273 3.960 -0.735 0.000 0.253 8 G HA3 -0.247 3.273 3.960 -0.735 0.000 0.253 8 G C 0.587 175.513 174.900 0.043 0.000 0.979 8 G CA 0.521 45.653 45.100 0.054 0.000 0.641 8 G HN 0.716 nan 8.290 nan 0.000 0.530 9 T N -1.415 113.163 114.554 0.040 0.000 3.145 9 T HA 0.602 4.511 4.350 -0.735 0.000 0.281 9 T C 0.885 175.605 174.700 0.032 0.000 1.003 9 T CA -0.209 61.911 62.100 0.034 0.000 0.901 9 T CB 0.178 69.065 68.868 0.031 0.000 1.112 9 T HN 0.420 nan 8.240 nan 0.000 0.535 10 L N 3.724 124.969 121.223 0.037 0.000 2.499 10 L HA 0.296 4.195 4.340 -0.735 0.000 0.273 10 L C 1.243 178.137 176.870 0.039 0.000 1.195 10 L CA -0.128 54.736 54.840 0.039 0.000 0.882 10 L CB 0.464 42.551 42.059 0.048 0.000 1.133 10 L HN 0.429 nan 8.230 nan 0.000 0.483 11 T N -0.164 114.412 114.554 0.037 0.000 2.912 11 T HA 0.363 4.273 4.350 -0.735 0.000 0.280 11 T C 1.218 175.951 174.700 0.055 0.000 0.989 11 T CA -0.910 61.212 62.100 0.037 0.000 0.995 11 T CB 1.178 70.061 68.868 0.024 0.000 1.077 11 T HN 0.454 nan 8.240 nan 0.000 0.531 12 L N 0.778 122.038 121.223 0.063 0.000 2.131 12 L HA -0.003 3.896 4.340 -0.735 0.000 0.210 12 L C 3.118 180.033 176.870 0.075 0.000 1.092 12 L CA 1.518 56.426 54.840 0.114 0.000 0.759 12 L CB -0.882 41.246 42.059 0.116 0.000 0.903 12 L HN 0.953 nan 8.230 nan 0.000 0.435 13 A N -0.596 122.234 122.820 0.016 0.000 1.930 13 A HA -0.223 3.656 4.320 -0.735 0.000 0.217 13 A C 2.220 179.774 177.584 -0.050 0.000 1.175 13 A CA 1.325 53.338 52.037 -0.040 0.000 0.627 13 A CB -0.357 18.626 19.000 -0.029 0.000 0.815 13 A HN 0.457 nan 8.150 nan 0.000 0.443 14 Q N -0.436 119.360 119.800 -0.007 0.000 2.084 14 Q HA -0.092 3.807 4.340 -0.735 0.000 0.202 14 Q C 2.068 178.077 176.000 0.015 0.000 0.978 14 Q CA 1.388 57.193 55.803 0.002 0.000 0.844 14 Q CB -0.338 28.413 28.738 0.021 0.000 0.898 14 Q HN 0.674 nan 8.270 nan 0.000 0.426 15 L N 0.293 121.553 121.223 0.063 0.000 2.012 15 L HA -0.228 3.671 4.340 -0.735 0.000 0.210 15 L C 2.684 179.595 176.870 0.068 0.000 1.073 15 L CA 1.363 56.295 54.840 0.154 0.000 0.748 15 L CB -0.446 41.781 42.059 0.280 0.000 0.891 15 L HN 0.199 nan 8.230 nan 0.000 0.431 16 R N 0.320 120.632 120.500 -0.313 0.000 2.091 16 R HA -0.219 3.680 4.340 -0.735 0.000 0.238 16 R C 2.277 178.387 176.300 -0.316 0.000 1.136 16 R CA 1.644 57.205 56.100 -0.899 0.000 0.959 16 R CB -0.270 29.473 30.300 -0.928 0.000 0.856 16 R HN 0.360 nan 8.270 nan 0.000 0.437 17 A N 0.747 123.469 122.820 -0.163 0.000 1.898 17 A HA -0.098 3.781 4.320 -0.735 0.000 0.216 17 A C 2.144 179.710 177.584 -0.031 0.000 1.181 17 A CA 1.302 53.289 52.037 -0.083 0.000 0.620 17 A CB -0.400 18.568 19.000 -0.054 0.000 0.819 17 A HN 0.370 nan 8.150 nan 0.000 0.442 18 I N -1.133 119.444 120.570 0.011 0.000 2.226 18 I HA -0.268 3.461 4.170 -0.735 0.000 0.245 18 I C 2.558 178.711 176.117 0.060 0.000 1.100 18 I CA 1.610 62.937 61.300 0.046 0.000 1.374 18 I CB -0.418 37.627 38.000 0.076 0.000 1.057 18 I HN 0.552 nan 8.210 nan 0.000 0.413 19 H N 1.161 120.227 119.070 -0.007 0.000 2.387 19 H HA -0.125 3.990 4.556 -0.735 0.000 0.299 19 H C 2.141 177.438 175.328 -0.052 0.000 1.090 19 H CA 1.695 57.745 56.048 0.003 0.000 1.332 19 H CB 0.321 30.165 29.762 0.137 0.000 1.386 19 H HN 0.351 nan 8.280 nan 0.000 0.516 20 A N 0.666 123.430 122.820 -0.093 0.000 1.970 20 A HA 0.414 4.293 4.320 -0.735 0.000 0.216 20 A C 1.162 178.671 177.584 -0.125 0.000 1.170 20 A CA 0.847 52.798 52.037 -0.143 0.000 0.645 20 A CB -0.130 18.820 19.000 -0.082 0.000 0.816 20 A HN 0.536 nan 8.150 nan 0.000 0.447 21 A N -1.509 121.261 122.820 -0.083 0.000 2.609 21 A HA 0.678 4.558 4.320 -0.735 0.000 0.291 21 A C -3.135 174.438 177.584 -0.018 0.000 1.096 21 A CA -1.622 50.383 52.037 -0.054 0.000 0.684 21 A CB 0.369 19.346 19.000 -0.038 0.000 1.282 21 A HN -0.002 nan 8.150 nan 0.000 0.412 22 P HA 0.347 nan 4.420 nan 0.000 0.270 22 P C -0.694 176.639 177.300 0.054 0.000 1.227 22 P CA -0.045 63.095 63.100 0.066 0.000 0.788 22 P CB 0.559 32.305 31.700 0.077 0.000 0.926 23 V N 1.428 121.388 119.914 0.077 0.000 2.925 23 V HA 0.487 4.166 4.120 -0.735 0.000 0.311 23 V C -0.524 175.602 176.094 0.052 0.000 1.104 23 V CA -0.747 61.586 62.300 0.056 0.000 0.954 23 V CB 2.511 34.370 31.823 0.058 0.000 1.022 23 V HN 0.342 nan 8.190 nan 0.000 0.427 24 R N 3.903 124.425 120.500 0.037 0.000 2.360 24 R HA 0.765 4.665 4.340 -0.735 0.000 0.318 24 R C -1.007 175.310 176.300 0.028 0.000 0.950 24 R CA -0.260 55.858 56.100 0.030 0.000 0.837 24 R CB 1.243 31.557 30.300 0.022 0.000 1.165 24 R HN 0.718 nan 8.270 nan 0.000 0.458 25 L N -0.287 120.953 121.223 0.029 0.000 2.327 25 L HA 0.795 4.694 4.340 -0.735 0.000 0.258 25 L C -1.210 175.673 176.870 0.022 0.000 1.024 25 L CA -1.102 53.754 54.840 0.027 0.000 0.825 25 L CB 2.439 44.518 42.059 0.034 0.000 1.386 25 L HN 0.321 nan 8.230 nan 0.000 0.417 26 Q N 1.285 121.097 119.800 0.020 0.000 2.345 26 Q HA 0.586 4.486 4.340 -0.735 0.000 0.275 26 Q C -1.452 174.559 176.000 0.018 0.000 1.063 26 Q CA -0.452 55.361 55.803 0.016 0.000 0.819 26 Q CB 2.422 31.167 28.738 0.012 0.000 1.356 26 Q HN 0.666 nan 8.270 nan 0.000 0.418 27 L N 2.202 123.435 121.223 0.016 0.000 2.416 27 L HA 0.202 4.102 4.340 -0.735 0.000 0.272 27 L C 0.090 176.968 176.870 0.014 0.000 1.161 27 L CA 0.350 55.200 54.840 0.017 0.000 0.845 27 L CB 0.527 42.595 42.059 0.015 0.000 1.119 27 L HN 0.687 nan 8.230 nan 0.000 0.464 28 D N 1.789 122.198 120.400 0.016 0.000 2.400 28 D HA 0.169 4.368 4.640 -0.735 0.000 0.238 28 D C 1.031 177.337 176.300 0.010 0.000 1.157 28 D CA 0.669 54.677 54.000 0.013 0.000 0.889 28 D CB 1.119 41.929 40.800 0.015 0.000 1.199 28 D HN 0.685 nan 8.370 nan 0.000 0.436 29 A N 1.985 124.809 122.820 0.008 0.000 2.024 29 A HA -0.169 3.710 4.320 -0.735 0.000 0.220 29 A C 2.034 179.621 177.584 0.004 0.000 1.164 29 A CA 1.832 53.872 52.037 0.005 0.000 0.643 29 A CB -0.815 18.188 19.000 0.004 0.000 0.806 29 A HN 0.611 nan 8.150 nan 0.000 0.451 30 S N -0.479 115.225 115.700 0.007 0.000 2.547 30 S HA 0.221 4.250 4.470 -0.735 0.000 0.235 30 S C 1.685 176.289 174.600 0.006 0.000 0.980 30 S CA 0.902 59.106 58.200 0.007 0.000 0.941 30 S CB -0.311 62.896 63.200 0.011 0.000 0.763 30 S HN 0.789 nan 8.310 nan 0.000 0.532 31 A N 1.462 124.286 122.820 0.007 0.000 2.021 31 A HA 0.588 4.467 4.320 -0.735 0.000 0.216 31 A C 2.425 180.006 177.584 -0.006 0.000 1.163 31 A CA 0.881 52.921 52.037 0.006 0.000 0.676 31 A CB -1.151 17.856 19.000 0.012 0.000 0.818 31 A HN 0.716 nan 8.150 nan 0.000 0.453 32 A N 0.933 123.749 122.820 -0.007 0.000 1.892 32 A HA -0.080 3.799 4.320 -0.735 0.000 0.218 32 A C 0.235 177.805 177.584 -0.023 0.000 1.188 32 A CA 1.997 54.026 52.037 -0.013 0.000 0.631 32 A CB -1.742 17.252 19.000 -0.010 0.000 0.822 32 A HN 0.425 nan 8.150 nan 0.000 0.447 33 P HA -0.207 nan 4.420 nan 0.000 0.215 33 P C 1.767 179.037 177.300 -0.051 0.000 1.163 33 P CA 2.294 65.376 63.100 -0.030 0.000 0.894 33 P CB -0.147 31.539 31.700 -0.022 0.000 0.791 34 A N -1.357 121.426 122.820 -0.062 0.000 1.930 34 A HA -0.138 3.741 4.320 -0.735 0.000 0.217 34 A C 2.217 179.728 177.584 -0.123 0.000 1.175 34 A CA 1.260 53.227 52.037 -0.116 0.000 0.627 34 A CB -1.540 17.379 19.000 -0.136 0.000 0.815 34 A HN 0.104 nan 8.150 nan 0.000 0.443 35 I N 0.018 120.541 120.570 -0.077 0.000 2.179 35 I HA -0.235 3.494 4.170 -0.735 0.000 0.242 35 I C 1.851 177.932 176.117 -0.060 0.000 1.088 35 I CA 1.534 62.796 61.300 -0.063 0.000 1.357 35 I CB -0.372 37.608 38.000 -0.034 0.000 1.051 35 I HN 0.235 nan 8.210 nan 0.000 0.409 36 D N 1.031 121.402 120.400 -0.049 0.000 2.117 36 D HA -0.139 4.060 4.640 -0.735 0.000 0.197 36 D C 2.248 178.519 176.300 -0.048 0.000 0.987 36 D CA 1.536 55.511 54.000 -0.041 0.000 0.829 36 D CB -0.288 40.493 40.800 -0.031 0.000 0.961 36 D HN 0.342 nan 8.370 nan 0.000 0.460 37 A N 0.393 123.178 122.820 -0.059 0.000 1.972 37 A HA -0.169 3.710 4.320 -0.735 0.000 0.219 37 A C 2.345 179.884 177.584 -0.075 0.000 1.169 37 A CA 1.945 53.945 52.037 -0.062 0.000 0.635 37 A CB -0.622 18.335 19.000 -0.070 0.000 0.810 37 A HN 0.209 nan 8.150 nan 0.000 0.446 38 S N -0.596 115.044 115.700 -0.100 0.000 2.355 38 S HA -0.123 3.907 4.470 -0.735 0.000 0.222 38 S C 1.941 176.496 174.600 -0.074 0.000 1.031 38 S CA 1.597 59.732 58.200 -0.109 0.000 0.993 38 S CB -0.503 62.614 63.200 -0.138 0.000 0.859 38 S HN 0.368 nan 8.310 nan 0.000 0.453 39 V N 2.429 122.307 119.914 -0.060 0.000 2.343 39 V HA -0.136 3.543 4.120 -0.735 0.000 0.247 39 V C 2.833 178.903 176.094 -0.040 0.000 1.051 39 V CA 1.707 63.979 62.300 -0.047 0.000 1.036 39 V CB -1.601 30.200 31.823 -0.038 0.000 0.654 39 V HN 0.571 nan 8.190 nan 0.000 0.451 40 A N -0.628 122.170 122.820 -0.038 0.000 1.948 40 A HA -0.329 3.550 4.320 -0.735 0.000 0.220 40 A C 2.448 180.015 177.584 -0.028 0.000 1.177 40 A CA 2.318 54.337 52.037 -0.030 0.000 0.636 40 A CB -1.240 17.743 19.000 -0.028 0.000 0.815 40 A HN 0.650 nan 8.150 nan 0.000 0.449 41 C N -1.150 118.131 119.300 -0.032 0.000 2.446 41 C HA -0.016 4.003 4.460 -0.735 0.000 0.277 41 C C 2.676 177.650 174.990 -0.026 0.000 1.275 41 C CA 1.243 60.246 59.018 -0.025 0.000 1.727 41 C CB -1.381 26.344 27.740 -0.026 0.000 2.010 41 C HN 0.411 nan 8.230 nan 0.000 0.486 42 V N 0.780 120.672 119.914 -0.036 0.000 2.358 42 V HA -0.193 3.486 4.120 -0.735 0.000 0.246 42 V C 2.467 178.541 176.094 -0.034 0.000 1.047 42 V CA 2.397 64.674 62.300 -0.038 0.000 1.035 42 V CB -0.824 30.971 31.823 -0.047 0.000 0.658 42 V HN 0.589 nan 8.190 nan 0.000 0.452 43 E N -0.389 119.792 120.200 -0.032 0.000 2.118 43 E HA -0.311 3.598 4.350 -0.735 0.000 0.195 43 E C 2.288 178.873 176.600 -0.024 0.000 0.992 43 E CA 1.536 57.918 56.400 -0.029 0.000 0.804 43 E CB -0.107 29.577 29.700 -0.025 0.000 0.741 43 E HN 0.630 nan 8.360 nan 0.000 0.458 44 Q N 0.512 120.300 119.800 -0.020 0.000 2.079 44 Q HA -0.152 3.747 4.340 -0.735 0.000 0.200 44 Q C 2.154 178.146 176.000 -0.013 0.000 0.974 44 Q CA 1.014 56.809 55.803 -0.014 0.000 0.840 44 Q CB 0.028 28.761 28.738 -0.010 0.000 0.898 44 Q HN 0.288 nan 8.270 nan 0.000 0.430 45 I N 0.290 120.852 120.570 -0.014 0.000 2.163 45 I HA -0.331 3.398 4.170 -0.735 0.000 0.243 45 I C 2.115 178.221 176.117 -0.019 0.000 1.085 45 I CA 1.255 62.548 61.300 -0.012 0.000 1.347 45 I CB -0.206 37.787 38.000 -0.013 0.000 1.044 45 I HN 0.284 nan 8.210 nan 0.000 0.408 46 I N 0.394 120.947 120.570 -0.028 0.000 2.315 46 I HA -0.233 3.496 4.170 -0.735 0.000 0.248 46 I C 2.705 178.803 176.117 -0.032 0.000 1.117 46 I CA 1.148 62.426 61.300 -0.036 0.000 1.404 46 I CB -0.363 37.609 38.000 -0.047 0.000 1.071 46 I HN 0.169 nan 8.210 nan 0.000 0.419 47 A N 0.213 123.018 122.820 -0.025 0.000 1.930 47 A HA -0.168 3.711 4.320 -0.735 0.000 0.217 47 A C 1.995 179.570 177.584 -0.015 0.000 1.175 47 A CA 1.314 53.339 52.037 -0.020 0.000 0.627 47 A CB -0.444 18.547 19.000 -0.016 0.000 0.815 47 A HN 0.428 nan 8.150 nan 0.000 0.443 48 E N -0.131 120.062 120.200 -0.012 0.000 2.463 48 E HA -0.007 3.902 4.350 -0.735 0.000 0.191 48 E C -0.539 176.056 176.600 -0.008 0.000 1.083 48 E CA 0.229 56.625 56.400 -0.008 0.000 0.872 48 E CB -0.104 29.593 29.700 -0.004 0.000 0.966 48 E HN 0.419 nan 8.360 nan 0.000 0.491 49 D N 1.161 121.553 120.400 -0.014 0.000 2.911 49 D HA -0.186 4.013 4.640 -0.735 0.000 0.227 49 D C -0.209 176.085 176.300 -0.010 0.000 1.164 49 D CA 0.964 54.955 54.000 -0.015 0.000 0.782 49 D CB -0.832 39.961 40.800 -0.011 0.000 1.094 49 D HN 0.326 nan 8.370 nan 0.000 0.425 50 R N -0.424 120.071 120.500 -0.008 0.000 2.560 50 R HA 0.503 4.402 4.340 -0.735 0.000 0.270 50 R C 0.429 176.728 176.300 -0.001 0.000 1.074 50 R CA -0.197 55.903 56.100 -0.000 0.000 1.140 50 R CB 0.743 31.046 30.300 0.005 0.000 1.073 50 R HN -0.130 nan 8.270 nan 0.000 0.527 51 T N 0.896 115.456 114.554 0.009 0.000 2.767 51 T HA 0.529 4.438 4.350 -0.735 0.000 0.284 51 T C -0.791 173.929 174.700 0.034 0.000 0.973 51 T CA -0.472 61.637 62.100 0.015 0.000 0.996 51 T CB 1.422 70.302 68.868 0.020 0.000 0.927 51 T HN 0.656 nan 8.240 nan 0.000 0.456 52 A N 3.468 126.308 122.820 0.034 0.000 2.414 52 A HA 0.534 4.413 4.320 -0.735 0.000 0.286 52 A C -0.845 176.784 177.584 0.075 0.000 1.073 52 A CA -0.835 51.238 52.037 0.060 0.000 0.727 52 A CB 0.507 19.524 19.000 0.028 0.000 1.215 52 A HN 0.884 nan 8.150 nan 0.000 0.430 53 Y N 2.544 122.852 120.300 0.015 0.000 2.717 53 Y HA 0.338 4.448 4.550 -0.735 0.000 0.330 53 Y C 1.281 177.207 175.900 0.043 0.000 1.217 53 Y CA 1.597 59.717 58.100 0.034 0.000 1.506 53 Y CB 0.518 39.011 38.460 0.054 0.000 1.268 53 Y HN 1.927 nan 8.280 nan 0.000 0.561 54 G N 4.677 113.137 108.800 -0.566 0.000 2.253 54 G HA2 -0.303 3.216 3.960 -0.735 0.000 0.251 54 G HA3 -0.303 3.216 3.960 -0.735 0.000 0.251 54 G C 0.512 175.277 174.900 -0.226 0.000 0.998 54 G CA 0.510 45.305 45.100 -0.508 0.000 0.621 54 G HN 0.584 nan 8.290 nan 0.000 0.524 55 I N 1.093 121.570 120.570 -0.155 0.000 3.098 55 I HA 0.191 3.920 4.170 -0.735 0.000 0.241 55 I C 1.699 177.752 176.117 -0.106 0.000 1.081 55 I CA 1.903 63.140 61.300 -0.105 0.000 1.487 55 I CB -0.944 37.014 38.000 -0.069 0.000 1.366 55 I HN 0.433 nan 8.210 nan 0.000 0.463 56 N N 0.620 119.264 118.700 -0.093 0.000 2.241 56 N HA 0.012 4.311 4.740 -0.735 0.000 0.238 56 N C 0.081 175.522 175.510 -0.115 0.000 1.244 56 N CA -0.141 52.846 53.050 -0.104 0.000 0.880 56 N CB -0.401 38.038 38.487 -0.079 0.000 1.179 56 N HN 0.270 nan 8.380 nan 0.000 0.513 57 T N -3.192 111.291 114.554 -0.119 0.000 2.922 57 T HA 0.724 4.633 4.350 -0.735 0.000 0.285 57 T C 0.980 175.502 174.700 -0.296 0.000 1.005 57 T CA -0.339 61.694 62.100 -0.113 0.000 1.061 57 T CB 1.753 70.637 68.868 0.026 0.000 1.007 57 T HN 0.160 nan 8.240 nan 0.000 0.502 58 G N 0.509 109.150 108.800 -0.266 0.000 2.624 58 G HA2 0.546 4.065 3.960 -0.735 0.000 0.217 58 G HA3 0.546 4.065 3.960 -0.735 0.000 0.217 58 G C -1.036 173.539 174.900 -0.540 0.000 1.506 58 G CA -0.666 44.166 45.100 -0.445 0.000 1.072 58 G HN 0.585 nan 8.290 nan 0.000 0.568 59 F N -1.764 118.215 119.950 0.048 0.000 2.603 59 F HA 0.632 4.719 4.527 -0.734 0.000 0.317 59 F C 1.009 176.840 175.800 0.052 0.000 1.066 59 F CA -0.209 57.830 58.000 0.064 0.000 0.941 59 F CB 1.359 40.397 39.000 0.062 0.000 1.291 59 F HN 1.046 nan 8.300 nan 0.000 0.472 60 G N 1.413 110.383 108.800 0.284 0.000 2.601 60 G HA2 -0.297 3.222 3.960 -0.735 0.000 0.306 60 G HA3 -0.297 3.222 3.960 -0.735 0.000 0.306 60 G C 1.040 176.005 174.900 0.108 0.000 1.172 60 G CA 0.295 45.486 45.100 0.151 0.000 0.966 60 G HN 0.624 nan 8.290 nan 0.000 0.542 61 L N 0.130 121.401 121.223 0.079 0.000 2.191 61 L HA -0.007 3.892 4.340 -0.735 0.000 0.212 61 L C 2.781 179.682 176.870 0.051 0.000 1.103 61 L CA 1.106 55.978 54.840 0.054 0.000 0.769 61 L CB -0.650 41.433 42.059 0.040 0.000 0.908 61 L HN 0.373 nan 8.230 nan 0.000 0.438 62 L N -0.276 120.984 121.223 0.061 0.000 2.599 62 L HA 0.072 3.971 4.340 -0.735 0.000 0.230 62 L C 2.553 179.455 176.870 0.054 0.000 1.141 62 L CA 0.796 55.656 54.840 0.034 0.000 0.877 62 L CB -1.337 40.720 42.059 -0.003 0.000 1.009 62 L HN 0.069 nan 8.230 nan 0.000 0.447 63 A N -0.637 122.250 122.820 0.112 0.000 2.024 63 A HA -0.135 3.744 4.320 -0.735 0.000 0.220 63 A C 1.786 179.435 177.584 0.108 0.000 1.164 63 A CA 1.767 53.901 52.037 0.163 0.000 0.643 63 A CB -0.404 18.684 19.000 0.146 0.000 0.806 63 A HN 0.460 nan 8.150 nan 0.000 0.451 64 S N -0.655 115.081 115.700 0.060 0.000 2.581 64 S HA 0.422 4.451 4.470 -0.735 0.000 0.245 64 S C -0.249 174.366 174.600 0.026 0.000 1.115 64 S CA -0.310 57.913 58.200 0.039 0.000 1.093 64 S CB 0.225 63.438 63.200 0.022 0.000 0.853 64 S HN 0.196 nan 8.310 nan 0.000 0.479 65 T N 1.982 116.549 114.554 0.021 0.000 3.031 65 T HA 0.384 4.293 4.350 -0.735 0.000 0.305 65 T C -0.205 174.484 174.700 -0.018 0.000 0.985 65 T CA -0.653 61.448 62.100 0.001 0.000 1.008 65 T CB 1.729 70.595 68.868 -0.002 0.000 1.005 65 T HN 0.292 nan 8.240 nan 0.000 0.444 66 R N 2.193 122.681 120.500 -0.020 0.000 2.756 66 R HA 0.289 4.189 4.340 -0.735 0.000 0.264 66 R C -0.280 175.986 176.300 -0.056 0.000 1.026 66 R CA 0.109 56.186 56.100 -0.038 0.000 1.121 66 R CB 0.259 30.540 30.300 -0.032 0.000 0.999 66 R HN 0.395 nan 8.270 nan 0.000 0.449 67 I N 1.941 122.463 120.570 -0.081 0.000 2.569 67 I HA 0.264 3.994 4.170 -0.735 0.000 0.296 67 I C -0.051 176.006 176.117 -0.100 0.000 1.028 67 I CA -1.071 60.174 61.300 -0.091 0.000 1.082 67 I CB 1.491 39.415 38.000 -0.126 0.000 1.264 67 I HN 0.734 nan 8.210 nan 0.000 0.429 68 A N 4.086 126.857 122.820 -0.082 0.000 2.526 68 A HA 0.144 4.023 4.320 -0.735 0.000 0.267 68 A C 1.359 178.820 177.584 -0.205 0.000 1.095 68 A CA 0.259 52.229 52.037 -0.113 0.000 0.775 68 A CB -0.142 18.852 19.000 -0.010 0.000 1.036 68 A HN 0.815 nan 8.150 nan 0.000 0.510 69 S N 1.858 117.350 115.700 -0.347 0.000 2.407 69 S HA -0.224 3.805 4.470 -0.735 0.000 0.235 69 S C 1.494 175.925 174.600 -0.281 0.000 1.036 69 S CA 2.317 60.323 58.200 -0.323 0.000 1.013 69 S CB -0.606 62.391 63.200 -0.338 0.000 0.820 69 S HN 0.946 nan 8.310 nan 0.000 0.476 70 H N 0.960 120.013 119.070 -0.030 0.000 2.387 70 H HA -0.025 4.090 4.556 -0.735 0.000 0.299 70 H C 1.751 177.062 175.328 -0.029 0.000 1.090 70 H CA 1.293 57.326 56.048 -0.026 0.000 1.332 70 H CB -0.212 29.538 29.762 -0.020 0.000 1.386 70 H HN 0.290 nan 8.280 nan 0.000 0.516 71 D N 0.361 120.789 120.400 0.047 0.000 2.178 71 D HA -0.099 4.100 4.640 -0.735 0.000 0.202 71 D C 1.972 178.246 176.300 -0.043 0.000 0.974 71 D CA 0.305 54.306 54.000 0.001 0.000 0.841 71 D CB -0.223 40.568 40.800 -0.014 0.000 0.953 71 D HN 0.145 nan 8.370 nan 0.000 0.478 72 L N 1.220 122.396 121.223 -0.079 0.000 2.042 72 L HA -0.160 3.739 4.340 -0.735 0.000 0.210 72 L C 2.072 178.902 176.870 -0.067 0.000 1.076 72 L CA 1.756 56.537 54.840 -0.099 0.000 0.749 72 L CB -0.605 41.382 42.059 -0.119 0.000 0.893 72 L HN 0.072 nan 8.230 nan 0.000 0.432 73 E N -0.810 119.366 120.200 -0.040 0.000 2.077 73 E HA -0.257 3.653 4.350 -0.735 0.000 0.193 73 E C 1.835 178.426 176.600 -0.016 0.000 0.989 73 E CA 1.657 58.044 56.400 -0.022 0.000 0.800 73 E CB -0.141 29.560 29.700 0.001 0.000 0.746 73 E HN 0.663 nan 8.360 nan 0.000 0.452 74 N N 0.303 118.999 118.700 -0.008 0.000 2.188 74 N HA -0.141 4.158 4.740 -0.735 0.000 0.184 74 N C 1.744 177.250 175.510 -0.006 0.000 1.018 74 N CA 0.727 53.776 53.050 -0.002 0.000 0.858 74 N CB -0.107 38.384 38.487 0.007 0.000 0.989 74 N HN 0.104 nan 8.380 nan 0.000 0.426 75 L N 1.325 122.534 121.223 -0.023 0.000 2.079 75 L HA -0.190 3.709 4.340 -0.735 0.000 0.210 75 L C 1.868 178.736 176.870 -0.005 0.000 1.081 75 L CA 1.732 56.558 54.840 -0.024 0.000 0.752 75 L CB -0.697 41.301 42.059 -0.102 0.000 0.896 75 L HN 0.192 nan 8.230 nan 0.000 0.433 76 Q N -0.472 119.314 119.800 -0.023 0.000 2.084 76 Q HA -0.235 3.664 4.340 -0.735 0.000 0.202 76 Q C 2.411 178.399 176.000 -0.021 0.000 0.978 76 Q CA 1.849 57.638 55.803 -0.024 0.000 0.844 76 Q CB -0.553 28.167 28.738 -0.030 0.000 0.898 76 Q HN 0.574 nan 8.270 nan 0.000 0.426 77 R N 0.349 120.842 120.500 -0.011 0.000 2.075 77 R HA -0.044 3.856 4.340 -0.735 0.000 0.232 77 R C 2.284 178.584 176.300 0.000 0.000 1.126 77 R CA 1.357 57.452 56.100 -0.007 0.000 0.963 77 R CB 0.092 30.391 30.300 -0.002 0.000 0.858 77 R HN 0.119 nan 8.270 nan 0.000 0.435 78 S N 1.118 116.827 115.700 0.015 0.000 2.368 78 S HA -0.131 3.899 4.470 -0.735 0.000 0.225 78 S C 1.870 176.496 174.600 0.043 0.000 1.030 78 S CA 1.088 59.310 58.200 0.037 0.000 0.999 78 S CB -0.207 63.028 63.200 0.057 0.000 0.844 78 S HN 0.251 nan 8.310 nan 0.000 0.459 79 L N 1.035 122.260 121.223 0.004 0.000 1.989 79 L HA -0.128 3.771 4.340 -0.735 0.000 0.211 79 L C 2.383 179.167 176.870 -0.144 0.000 1.071 79 L CA 1.145 55.903 54.840 -0.137 0.000 0.749 79 L CB -0.577 41.346 42.059 -0.227 0.000 0.890 79 L HN 0.181 nan 8.230 nan 0.000 0.431 80 V N -0.235 119.629 119.914 -0.083 0.000 2.343 80 V HA -0.307 3.372 4.120 -0.735 0.000 0.247 80 V C 2.305 178.391 176.094 -0.013 0.000 1.051 80 V CA 1.712 63.985 62.300 -0.044 0.000 1.036 80 V CB -0.395 31.407 31.823 -0.035 0.000 0.654 80 V HN 0.337 nan 8.190 nan 0.000 0.451 81 L N 0.606 121.828 121.223 -0.003 0.000 2.005 81 L HA -0.139 3.760 4.340 -0.735 0.000 0.207 81 L C 2.751 179.629 176.870 0.012 0.000 1.072 81 L CA 1.956 56.790 54.840 -0.009 0.000 0.744 81 L CB -0.719 41.340 42.059 0.001 0.000 0.895 81 L HN 0.552 nan 8.230 nan 0.000 0.433 82 S N -1.712 114.033 115.700 0.075 0.000 2.423 82 S HA -0.195 3.835 4.470 -0.735 0.000 0.231 82 S C 1.752 176.408 174.600 0.092 0.000 1.014 82 S CA 0.883 59.138 58.200 0.091 0.000 0.965 82 S CB -0.539 62.744 63.200 0.137 0.000 0.785 82 S HN 0.436 nan 8.310 nan 0.000 0.495 83 H N 1.824 120.866 119.070 -0.048 0.000 2.547 83 H HA 0.492 4.607 4.556 -0.735 0.000 0.272 83 H C 1.194 176.479 175.328 -0.070 0.000 0.989 83 H CA 0.313 56.333 56.048 -0.047 0.000 1.214 83 H CB -0.288 29.450 29.762 -0.040 0.000 1.389 83 H HN 0.564 nan 8.280 nan 0.000 0.577 84 A N 0.751 123.536 122.820 -0.059 0.000 3.037 84 A HA 0.535 4.414 4.320 -0.735 0.000 0.272 84 A C 0.815 178.303 177.584 -0.161 0.000 1.723 84 A CA 0.383 52.194 52.037 -0.377 0.000 1.413 84 A CB -0.856 17.761 19.000 -0.638 0.000 1.112 84 A HN 0.374 nan 8.150 nan 0.000 0.606 85 A N 1.261 124.132 122.820 0.084 0.000 2.676 85 A HA 0.583 4.462 4.320 -0.735 0.000 0.297 85 A C 0.915 178.623 177.584 0.206 0.000 1.132 85 A CA 0.282 52.396 52.037 0.129 0.000 0.972 85 A CB -0.314 18.699 19.000 0.023 0.000 1.197 85 A HN 0.925 nan 8.150 nan 0.000 0.524 86 G N -0.323 108.745 108.800 0.446 0.000 2.562 86 G HA2 0.548 4.068 3.960 -0.735 0.000 0.275 86 G HA3 0.548 4.068 3.960 -0.735 0.000 0.275 86 G C -0.361 174.570 174.900 0.052 0.000 1.196 86 G CA -0.346 44.847 45.100 0.155 0.000 0.908 86 G HN 0.488 nan 8.290 nan 0.000 0.524 87 I N -1.036 119.537 120.570 0.006 0.000 3.006 87 I HA 0.646 4.375 4.170 -0.735 0.000 0.306 87 I C 0.333 176.456 176.117 0.009 0.000 1.250 87 I CA 0.395 61.704 61.300 0.014 0.000 0.996 87 I CB 2.046 40.062 38.000 0.026 0.000 1.261 87 I HN 1.300 nan 8.210 nan 0.000 0.442 88 G N 3.067 111.880 108.800 0.022 0.000 2.549 88 G HA2 0.209 3.728 3.960 -0.735 0.000 0.404 88 G HA3 0.209 3.728 3.960 -0.735 0.000 0.404 88 G C -0.621 174.306 174.900 0.046 0.000 1.292 88 G CA -0.293 44.826 45.100 0.031 0.000 0.935 88 G HN 1.291 nan 8.290 nan 0.000 0.512 89 A N 1.071 123.925 122.820 0.056 0.000 2.445 89 A HA 0.662 4.542 4.320 -0.735 0.000 0.242 89 A C -1.515 176.109 177.584 0.066 0.000 1.075 89 A CA -0.011 52.074 52.037 0.080 0.000 0.777 89 A CB -0.268 18.782 19.000 0.083 0.000 1.013 89 A HN 0.743 nan 8.150 nan 0.000 0.493 90 P HA 0.185 nan 4.420 nan 0.000 0.268 90 P C -0.402 176.933 177.300 0.057 0.000 1.204 90 P CA 0.165 63.303 63.100 0.063 0.000 0.768 90 P CB 0.282 32.201 31.700 0.365 0.000 0.842 91 L N 2.510 123.734 121.223 0.002 0.000 2.467 91 L HA 0.114 4.013 4.340 -0.735 0.000 0.270 91 L C 1.072 177.941 176.870 -0.002 0.000 1.205 91 L CA -0.306 54.540 54.840 0.011 0.000 0.828 91 L CB -0.135 41.945 42.059 0.036 0.000 1.101 91 L HN 0.441 nan 8.230 nan 0.000 0.479 92 D N -0.634 119.720 120.400 -0.077 0.000 2.344 92 D HA 0.039 4.238 4.640 -0.735 0.000 0.244 92 D C 0.345 176.540 176.300 -0.176 0.000 1.134 92 D CA -0.572 53.360 54.000 -0.113 0.000 0.930 92 D CB 0.669 41.380 40.800 -0.149 0.000 1.175 92 D HN 0.355 nan 8.370 nan 0.000 0.437 93 D N 0.137 120.387 120.400 -0.250 0.000 2.133 93 D HA -0.167 4.032 4.640 -0.735 0.000 0.195 93 D C 1.175 177.109 176.300 -0.610 0.000 0.997 93 D CA 1.135 54.830 54.000 -0.510 0.000 0.840 93 D CB -0.196 40.265 40.800 -0.565 0.000 0.947 93 D HN 0.447 nan 8.370 nan 0.000 0.452 94 D N -0.174 119.974 120.400 -0.420 0.000 2.144 94 D HA -0.113 4.086 4.640 -0.735 0.000 0.199 94 D C 2.074 178.231 176.300 -0.238 0.000 0.984 94 D CA 0.307 54.086 54.000 -0.367 0.000 0.834 94 D CB -0.191 40.368 40.800 -0.402 0.000 0.955 94 D HN 0.139 nan 8.370 nan 0.000 0.465 95 L N 0.207 121.316 121.223 -0.190 0.000 2.179 95 L HA -0.058 3.841 4.340 -0.735 0.000 0.208 95 L C 2.181 179.050 176.870 -0.002 0.000 1.096 95 L CA 0.901 55.710 54.840 -0.052 0.000 0.779 95 L CB -0.179 41.829 42.059 -0.085 0.000 0.922 95 L HN -0.137 nan 8.230 nan 0.000 0.443 96 V N -0.398 119.481 119.914 -0.057 0.000 2.358 96 V HA -0.274 3.405 4.120 -0.735 0.000 0.246 96 V C 2.700 178.829 176.094 0.057 0.000 1.047 96 V CA 1.909 64.227 62.300 0.030 0.000 1.035 96 V CB -0.713 31.152 31.823 0.070 0.000 0.658 96 V HN 0.472 nan 8.190 nan 0.000 0.452 97 R N -0.184 120.283 120.500 -0.054 0.000 2.094 97 R HA -0.224 3.675 4.340 -0.735 0.000 0.239 97 R C 2.321 178.671 176.300 0.083 0.000 1.137 97 R CA 2.145 58.283 56.100 0.063 0.000 0.943 97 R CB -0.498 29.780 30.300 -0.037 0.000 0.850 97 R HN 0.418 nan 8.270 nan 0.000 0.433 98 L N 1.151 122.412 121.223 0.064 0.000 2.012 98 L HA -0.161 3.738 4.340 -0.735 0.000 0.210 98 L C 2.082 179.009 176.870 0.095 0.000 1.073 98 L CA 1.736 56.638 54.840 0.103 0.000 0.748 98 L CB -0.430 41.719 42.059 0.149 0.000 0.891 98 L HN 0.311 nan 8.230 nan 0.000 0.431 99 I N -1.207 119.420 120.570 0.095 0.000 2.208 99 I HA -0.369 3.360 4.170 -0.735 0.000 0.245 99 I C 2.469 178.635 176.117 0.081 0.000 1.097 99 I CA 1.797 63.148 61.300 0.084 0.000 1.363 99 I CB -0.271 37.785 38.000 0.093 0.000 1.051 99 I HN 0.324 nan 8.210 nan 0.000 0.413 100 M N -0.284 119.376 119.600 0.100 0.000 2.117 100 M HA -0.174 3.865 4.480 -0.735 0.000 0.262 100 M C 2.354 178.704 176.300 0.083 0.000 1.065 100 M CA 1.508 56.867 55.300 0.099 0.000 1.114 100 M CB -0.464 32.215 32.600 0.131 0.000 1.361 100 M HN 0.090 nan 8.290 nan 0.000 0.408 101 V N 0.766 120.732 119.914 0.087 0.000 2.427 101 V HA -0.211 3.469 4.120 -0.735 0.000 0.248 101 V C 2.302 178.435 176.094 0.064 0.000 1.051 101 V CA 1.363 63.708 62.300 0.075 0.000 1.048 101 V CB -0.679 31.192 31.823 0.079 0.000 0.666 101 V HN 0.467 nan 8.190 nan 0.000 0.456 102 L N 0.088 121.349 121.223 0.063 0.000 2.046 102 L HA -0.197 3.702 4.340 -0.735 0.000 0.208 102 L C 2.591 179.488 176.870 0.044 0.000 1.077 102 L CA 1.863 56.733 54.840 0.051 0.000 0.747 102 L CB -0.596 41.489 42.059 0.043 0.000 0.896 102 L HN 0.327 nan 8.230 nan 0.000 0.432 103 K N 1.066 121.493 120.400 0.046 0.000 2.103 103 K HA -0.101 3.778 4.320 -0.735 0.000 0.204 103 K C 1.851 178.477 176.600 0.042 0.000 1.052 103 K CA 1.296 57.607 56.287 0.040 0.000 0.945 103 K CB -0.255 32.269 32.500 0.041 0.000 0.722 103 K HN 0.151 nan 8.250 nan 0.000 0.443 104 I N 1.164 121.762 120.570 0.047 0.000 2.163 104 I HA -0.322 3.407 4.170 -0.735 0.000 0.243 104 I C 2.175 178.318 176.117 0.044 0.000 1.085 104 I CA 1.519 62.845 61.300 0.043 0.000 1.347 104 I CB -0.543 37.484 38.000 0.046 0.000 1.044 104 I HN 0.335 nan 8.210 nan 0.000 0.408 105 N N 0.371 119.100 118.700 0.047 0.000 2.061 105 N HA -0.225 4.074 4.740 -0.735 0.000 0.193 105 N C 1.963 177.506 175.510 0.056 0.000 1.030 105 N CA 2.045 55.124 53.050 0.050 0.000 0.856 105 N CB -0.203 38.313 38.487 0.049 0.000 1.023 105 N HN 0.189 nan 8.380 nan 0.000 0.424 106 S N -0.582 115.149 115.700 0.052 0.000 2.345 106 S HA 0.073 4.103 4.470 -0.735 0.000 0.220 106 S C 1.941 176.585 174.600 0.074 0.000 1.031 106 S CA 0.786 59.021 58.200 0.058 0.000 0.996 106 S CB -0.355 62.869 63.200 0.040 0.000 0.882 106 S HN 0.366 nan 8.310 nan 0.000 0.445 107 L N 1.049 122.305 121.223 0.055 0.000 2.191 107 L HA -0.017 3.882 4.340 -0.735 0.000 0.212 107 L C 2.217 179.117 176.870 0.050 0.000 1.103 107 L CA 0.899 55.768 54.840 0.049 0.000 0.769 107 L CB -0.371 41.706 42.059 0.030 0.000 0.908 107 L HN 0.252 nan 8.230 nan 0.000 0.438 108 S N -0.804 114.927 115.700 0.051 0.000 2.603 108 S HA 0.033 4.063 4.470 -0.735 0.000 0.220 108 S C 1.787 176.421 174.600 0.057 0.000 0.967 108 S CA 0.285 58.510 58.200 0.042 0.000 0.920 108 S CB -0.097 63.126 63.200 0.038 0.000 0.773 108 S HN 0.347 nan 8.310 nan 0.000 0.529 109 R N 0.585 121.150 120.500 0.108 0.000 2.275 109 R HA 0.110 4.009 4.340 -0.735 0.000 0.199 109 R C 1.273 177.629 176.300 0.092 0.000 0.989 109 R CA 0.531 56.738 56.100 0.178 0.000 1.016 109 R CB -0.013 30.472 30.300 0.310 0.000 0.918 109 R HN 0.397 nan 8.270 nan 0.000 0.473 110 G N 0.484 109.288 108.800 0.008 0.000 2.204 110 G HA2 -0.241 3.278 3.960 -0.735 0.000 0.244 110 G HA3 -0.241 3.278 3.960 -0.735 0.000 0.244 110 G C 0.105 174.741 174.900 -0.439 0.000 1.062 110 G CA -0.300 44.682 45.100 -0.196 0.000 0.798 110 G HN 0.354 nan 8.290 nan 0.000 0.496 111 F N -0.086 119.837 119.950 -0.043 0.000 2.729 111 F HA 0.333 4.419 4.527 -0.735 0.000 0.315 111 F C 1.759 177.469 175.800 -0.150 0.000 1.102 111 F CA 0.574 58.507 58.000 -0.111 0.000 1.204 111 F CB 1.100 40.040 39.000 -0.099 0.000 1.052 111 F HN 0.175 nan 8.300 nan 0.000 0.551 112 S N -0.752 114.961 115.700 0.022 0.000 2.505 112 S HA 0.285 4.314 4.470 -0.735 0.000 0.216 112 S C 1.813 176.386 174.600 -0.045 0.000 1.018 112 S CA 0.534 58.728 58.200 -0.011 0.000 0.911 112 S CB 0.575 63.781 63.200 0.011 0.000 0.818 112 S HN 0.473 nan 8.310 nan 0.000 0.497 113 G N 1.979 110.744 108.800 -0.058 0.000 2.155 113 G HA2 -0.280 3.240 3.960 -0.735 0.000 0.257 113 G HA3 -0.280 3.240 3.960 -0.735 0.000 0.257 113 G C 0.123 174.995 174.900 -0.046 0.000 0.983 113 G CA 0.429 45.493 45.100 -0.061 0.000 0.676 113 G HN 0.548 nan 8.290 nan 0.000 0.528 114 I N 0.259 120.808 120.570 -0.036 0.000 2.662 114 I HA 0.488 4.218 4.170 -0.735 0.000 0.291 114 I C 1.062 177.164 176.117 -0.025 0.000 1.046 114 I CA -1.180 60.104 61.300 -0.028 0.000 1.361 114 I CB 0.470 38.460 38.000 -0.017 0.000 1.429 114 I HN 0.151 nan 8.210 nan 0.000 0.558 115 R N 4.001 124.487 120.500 -0.022 0.000 2.590 115 R HA 0.024 3.923 4.340 -0.735 0.000 0.274 115 R C 1.044 177.335 176.300 -0.014 0.000 1.061 115 R CA -0.263 55.826 56.100 -0.019 0.000 1.081 115 R CB 0.488 30.778 30.300 -0.017 0.000 0.984 115 R HN 0.522 nan 8.270 nan 0.000 0.448 116 R N 3.107 123.598 120.500 -0.014 0.000 2.105 116 R HA -0.203 3.696 4.340 -0.735 0.000 0.239 116 R C 1.709 178.006 176.300 -0.005 0.000 1.135 116 R CA 1.895 57.989 56.100 -0.009 0.000 0.967 116 R CB -0.231 30.063 30.300 -0.010 0.000 0.861 116 R HN 0.573 nan 8.270 nan 0.000 0.442 117 K N -0.029 120.367 120.400 -0.007 0.000 2.211 117 K HA -0.094 3.786 4.320 -0.735 0.000 0.204 117 K C 1.460 178.058 176.600 -0.003 0.000 1.047 117 K CA 1.669 57.953 56.287 -0.005 0.000 0.935 117 K CB 0.080 32.576 32.500 -0.007 0.000 0.728 117 K HN 0.200 nan 8.250 nan 0.000 0.452 118 V N 1.348 121.260 119.914 -0.003 0.000 2.488 118 V HA -0.165 3.515 4.120 -0.735 0.000 0.246 118 V C 2.256 178.353 176.094 0.006 0.000 1.046 118 V CA 1.144 63.444 62.300 0.000 0.000 1.053 118 V CB -0.264 31.557 31.823 -0.003 0.000 0.679 118 V HN 0.258 nan 8.190 nan 0.000 0.458 119 I N 0.358 120.931 120.570 0.006 0.000 2.226 119 I HA -0.229 3.500 4.170 -0.735 0.000 0.245 119 I C 2.287 178.411 176.117 0.012 0.000 1.100 119 I CA 1.571 62.879 61.300 0.012 0.000 1.374 119 I CB -0.491 37.516 38.000 0.012 0.000 1.057 119 I HN 0.285 nan 8.210 nan 0.000 0.413 120 D N 1.125 121.529 120.400 0.007 0.000 2.149 120 D HA -0.160 4.039 4.640 -0.735 0.000 0.198 120 D C 2.274 178.577 176.300 0.004 0.000 0.990 120 D CA 1.563 55.566 54.000 0.005 0.000 0.839 120 D CB -0.174 40.626 40.800 0.001 0.000 0.948 120 D HN 0.361 nan 8.370 nan 0.000 0.460 121 A N 0.697 123.519 122.820 0.004 0.000 1.883 121 A HA -0.154 3.725 4.320 -0.735 0.000 0.217 121 A C 2.414 180.003 177.584 0.009 0.000 1.186 121 A CA 1.007 53.046 52.037 0.003 0.000 0.624 121 A CB -0.828 18.174 19.000 0.003 0.000 0.822 121 A HN 0.222 nan 8.150 nan 0.000 0.444 122 L N -0.726 120.508 121.223 0.018 0.000 2.046 122 L HA -0.174 3.725 4.340 -0.735 0.000 0.208 122 L C 2.474 179.362 176.870 0.030 0.000 1.077 122 L CA 1.268 56.126 54.840 0.030 0.000 0.747 122 L CB -0.434 41.648 42.059 0.038 0.000 0.896 122 L HN 0.389 nan 8.230 nan 0.000 0.432 123 I N -0.378 120.206 120.570 0.024 0.000 2.286 123 I HA -0.277 3.452 4.170 -0.735 0.000 0.248 123 I C 2.732 178.857 176.117 0.013 0.000 1.115 123 I CA 1.055 62.369 61.300 0.024 0.000 1.392 123 I CB -0.397 37.614 38.000 0.020 0.000 1.065 123 I HN 0.205 nan 8.210 nan 0.000 0.418 124 A N 0.900 123.721 122.820 0.001 0.000 1.933 124 A HA -0.144 3.736 4.320 -0.735 0.000 0.218 124 A C 2.282 179.848 177.584 -0.030 0.000 1.175 124 A CA 1.312 53.340 52.037 -0.014 0.000 0.628 124 A CB -0.739 18.249 19.000 -0.020 0.000 0.814 124 A HN 0.371 nan 8.150 nan 0.000 0.444 125 L N -0.665 120.543 121.223 -0.025 0.000 2.046 125 L HA -0.162 3.738 4.340 -0.735 0.000 0.208 125 L C 2.542 179.366 176.870 -0.076 0.000 1.077 125 L CA 1.095 55.902 54.840 -0.054 0.000 0.747 125 L CB -0.671 41.378 42.059 -0.017 0.000 0.896 125 L HN 0.239 nan 8.230 nan 0.000 0.432 126 V N 0.252 120.165 119.914 -0.001 0.000 2.255 126 V HA -0.286 3.393 4.120 -0.735 0.000 0.247 126 V C 2.200 178.306 176.094 0.019 0.000 1.051 126 V CA 2.023 64.353 62.300 0.049 0.000 1.018 126 V CB -0.675 31.202 31.823 0.090 0.000 0.641 126 V HN 0.491 nan 8.190 nan 0.000 0.445 127 N N 0.518 119.223 118.700 0.009 0.000 2.244 127 N HA -0.062 4.237 4.740 -0.735 0.000 0.183 127 N C 1.626 177.131 175.510 -0.008 0.000 1.016 127 N CA 1.467 54.522 53.050 0.009 0.000 0.866 127 N CB -0.437 38.054 38.487 0.007 0.000 0.980 127 N HN 0.508 nan 8.380 nan 0.000 0.430 128 A N 0.523 123.316 122.820 -0.045 0.000 2.208 128 A HA 0.023 3.902 4.320 -0.735 0.000 0.209 128 A C 0.241 177.798 177.584 -0.045 0.000 1.161 128 A CA 0.135 52.139 52.037 -0.054 0.000 0.782 128 A CB -0.300 18.631 19.000 -0.115 0.000 0.816 128 A HN 0.342 nan 8.150 nan 0.000 0.477 129 E N -1.197 118.909 120.200 -0.156 0.000 2.416 129 E HA -0.135 3.774 4.350 -0.735 0.000 0.249 129 E C -0.865 175.394 176.600 -0.568 0.000 1.124 129 E CA 0.459 56.638 56.400 -0.368 0.000 0.732 129 E CB -2.080 27.608 29.700 -0.021 0.000 1.286 129 E HN 0.287 nan 8.360 nan 0.000 0.394 130 V N 1.635 121.185 119.914 -0.606 0.000 2.357 130 V HA 0.336 4.016 4.120 -0.735 0.000 0.284 130 V C -0.515 175.311 176.094 -0.447 0.000 1.018 130 V CA -0.424 61.644 62.300 -0.386 0.000 0.841 130 V CB 0.492 32.197 31.823 -0.198 0.000 0.991 130 V HN 0.166 nan 8.190 nan 0.000 0.437 131 Y N 5.638 126.012 120.300 0.123 0.000 2.376 131 Y HA 0.466 4.575 4.550 -0.734 0.000 0.326 131 Y C -2.320 173.699 175.900 0.199 0.000 0.970 131 Y CA -3.465 54.707 58.100 0.120 0.000 1.248 131 Y CB 1.277 39.780 38.460 0.071 0.000 1.117 131 Y HN 0.477 nan 8.280 nan 0.000 0.476 132 P HA -0.124 nan 4.420 nan 0.000 0.264 132 P C 0.027 177.575 177.300 0.413 0.000 1.179 132 P CA 0.460 63.757 63.100 0.327 0.000 0.763 132 P CB 0.369 32.210 31.700 0.235 0.000 0.806 133 H N 4.629 123.927 119.070 0.380 0.000 2.964 133 H HA 0.148 4.263 4.556 -0.735 0.000 0.328 133 H C -0.647 174.792 175.328 0.184 0.000 1.030 133 H CA 0.665 56.895 56.048 0.302 0.000 1.445 133 H CB 0.048 29.752 29.762 -0.097 0.000 1.449 133 H HN 0.290 nan 8.280 nan 0.000 0.581 134 I N 8.681 128.994 120.570 -0.429 0.000 2.478 134 I HA 0.206 3.935 4.170 -0.735 0.000 0.287 134 I C -2.465 173.347 176.117 -0.509 0.000 1.042 134 I CA -2.092 59.012 61.300 -0.326 0.000 1.067 134 I CB 2.569 40.557 38.000 -0.020 0.000 1.233 134 I HN 0.462 nan 8.210 nan 0.000 0.431 135 P HA 0.084 nan 4.420 nan 0.000 0.278 135 P C 0.527 177.782 177.300 -0.073 0.000 1.238 135 P CA -0.469 62.463 63.100 -0.279 0.000 0.794 135 P CB 1.752 33.287 31.700 -0.275 0.000 0.955 136 L N 2.437 123.668 121.223 0.013 0.000 2.083 136 L HA -0.047 3.852 4.340 -0.735 0.000 0.209 136 L C 0.726 177.677 176.870 0.135 0.000 1.083 136 L CA 1.982 56.890 54.840 0.113 0.000 0.752 136 L CB -0.499 41.607 42.059 0.078 0.000 0.899 136 L HN 0.327 nan 8.230 nan 0.000 0.433 137 K N -2.107 118.329 120.400 0.059 0.000 2.281 137 K HA 0.620 4.499 4.320 -0.735 0.000 0.242 137 K C 0.209 176.828 176.600 0.031 0.000 0.971 137 K CA -0.076 56.240 56.287 0.048 0.000 0.834 137 K CB 1.711 34.224 32.500 0.022 0.000 1.181 137 K HN 0.035 nan 8.250 nan 0.000 0.435 138 G N 0.195 109.008 108.800 0.021 0.000 3.514 138 G HA2 -0.203 3.316 3.960 -0.735 0.000 0.197 138 G HA3 -0.203 3.316 3.960 -0.735 0.000 0.197 138 G C 0.006 174.901 174.900 -0.009 0.000 1.098 138 G CA -0.170 44.937 45.100 0.013 0.000 0.884 138 G HN 0.535 nan 8.290 nan 0.000 0.433 139 S N 0.707 116.397 115.700 -0.017 0.000 2.564 139 S HA 0.432 4.461 4.470 -0.735 0.000 0.278 139 S C 1.479 176.038 174.600 -0.069 0.000 1.333 139 S CA 0.533 58.703 58.200 -0.050 0.000 1.048 139 S CB 1.504 64.655 63.200 -0.081 0.000 0.900 139 S HN 1.563 nan 8.310 nan 0.000 0.505 140 V N 1.786 121.649 119.914 -0.085 0.000 3.427 140 V HA 0.526 4.205 4.120 -0.735 0.000 0.305 140 V C 1.070 177.077 176.094 -0.144 0.000 1.412 140 V CA 0.210 62.447 62.300 -0.106 0.000 1.086 140 V CB -0.669 31.089 31.823 -0.108 0.000 0.964 140 V HN 1.430 nan 8.190 nan 0.000 0.439 141 G N 0.431 109.148 108.800 -0.137 0.000 2.350 141 G HA2 0.200 3.719 3.960 -0.735 0.000 0.298 141 G HA3 0.200 3.719 3.960 -0.735 0.000 0.298 141 G C 0.115 174.886 174.900 -0.216 0.000 1.037 141 G CA 0.529 45.539 45.100 -0.149 0.000 1.074 141 G HN 2.139 nan 8.290 nan 0.000 0.511 142 A N -0.743 121.956 122.820 -0.201 0.000 2.500 142 A HA 0.972 4.851 4.320 -0.735 0.000 0.291 142 A C 0.745 178.272 177.584 -0.094 0.000 1.048 142 A CA 1.186 53.083 52.037 -0.234 0.000 0.791 142 A CB 0.602 19.369 19.000 -0.389 0.000 1.309 142 A HN 2.232 nan 8.150 nan 0.000 0.397 143 S N 1.423 117.106 115.700 -0.029 0.000 1.540 143 S HA 0.078 4.107 4.470 -0.735 0.000 0.243 143 S C 1.583 176.185 174.600 0.004 0.000 0.778 143 S CA 2.430 60.634 58.200 0.007 0.000 1.286 143 S CB -1.766 61.436 63.200 0.003 0.000 1.546 143 S HN 3.271 nan 8.310 nan 0.000 0.513 144 G N 0.528 109.316 108.800 -0.020 0.000 2.352 144 G HA2 0.329 3.848 3.960 -0.735 0.000 0.283 144 G HA3 0.329 3.848 3.960 -0.735 0.000 0.283 144 G C -2.005 172.870 174.900 -0.041 0.000 1.308 144 G CA 0.086 45.172 45.100 -0.024 0.000 0.892 144 G HN 0.324 nan 8.290 nan 0.000 0.504 145 D N 1.765 122.139 120.400 -0.043 0.000 2.896 145 D HA 0.230 4.429 4.640 -0.735 0.000 0.240 145 D C 2.046 178.345 176.300 -0.002 0.000 1.193 145 D CA -0.173 53.795 54.000 -0.053 0.000 0.983 145 D CB 0.445 41.184 40.800 -0.102 0.000 1.074 145 D HN 0.330 nan 8.370 nan 0.000 0.496 146 L N 0.659 121.893 121.223 0.018 0.000 1.990 146 L HA -0.255 3.644 4.340 -0.735 0.000 0.213 146 L C 2.574 179.502 176.870 0.097 0.000 1.072 146 L CA 1.601 56.487 54.840 0.077 0.000 0.755 146 L CB -0.483 41.636 42.059 0.100 0.000 0.889 146 L HN 0.193 nan 8.230 nan 0.000 0.432 147 A N 0.296 123.165 122.820 0.081 0.000 1.855 147 A HA -0.086 3.793 4.320 -0.735 0.000 0.215 147 A C 0.066 177.806 177.584 0.259 0.000 1.191 147 A CA 1.669 53.802 52.037 0.159 0.000 0.613 147 A CB -1.878 17.205 19.000 0.139 0.000 0.829 147 A HN 0.312 nan 8.150 nan 0.000 0.442 148 P HA -0.133 nan 4.420 nan 0.000 0.216 148 P C 1.557 178.947 177.300 0.151 0.000 1.153 148 P CA 0.977 64.162 63.100 0.143 0.000 0.848 148 P CB -0.226 31.504 31.700 0.050 0.000 0.787 149 L N -0.840 120.441 121.223 0.097 0.000 2.141 149 L HA -0.112 3.787 4.340 -0.735 0.000 0.209 149 L C 2.699 179.624 176.870 0.091 0.000 1.094 149 L CA 1.438 56.326 54.840 0.080 0.000 0.763 149 L CB -1.060 41.026 42.059 0.045 0.000 0.908 149 L HN -0.048 nan 8.230 nan 0.000 0.437 150 A N -1.042 121.836 122.820 0.096 0.000 1.898 150 A HA -0.202 3.677 4.320 -0.735 0.000 0.216 150 A C 2.119 179.717 177.584 0.024 0.000 1.181 150 A CA 1.122 53.185 52.037 0.044 0.000 0.620 150 A CB -0.717 18.304 19.000 0.036 0.000 0.819 150 A HN 0.399 nan 8.150 nan 0.000 0.442 151 H N -1.096 118.023 119.070 0.083 0.000 2.352 151 H HA -0.147 3.968 4.556 -0.734 0.000 0.299 151 H C 2.139 177.532 175.328 0.108 0.000 1.097 151 H CA 1.899 58.011 56.048 0.106 0.000 1.311 151 H CB -0.280 29.557 29.762 0.125 0.000 1.377 151 H HN 0.563 nan 8.280 nan 0.000 0.504 152 M N 0.416 120.145 119.600 0.215 0.000 2.086 152 M HA -0.160 3.879 4.480 -0.735 0.000 0.261 152 M C 2.155 178.525 176.300 0.117 0.000 1.067 152 M CA 1.591 56.987 55.300 0.161 0.000 1.116 152 M CB 0.070 32.749 32.600 0.133 0.000 1.348 152 M HN 0.019 nan 8.290 nan 0.000 0.407 153 S N 1.153 116.903 115.700 0.083 0.000 2.423 153 S HA -0.058 3.971 4.470 -0.735 0.000 0.231 153 S C 1.737 176.362 174.600 0.040 0.000 1.014 153 S CA 0.872 59.102 58.200 0.050 0.000 0.965 153 S CB -0.441 62.775 63.200 0.027 0.000 0.785 153 S HN 0.490 nan 8.310 nan 0.000 0.495 154 L N 0.992 122.240 121.223 0.042 0.000 2.043 154 L HA -0.150 3.750 4.340 -0.735 0.000 0.212 154 L C 2.292 179.186 176.870 0.041 0.000 1.075 154 L CA 1.008 55.865 54.840 0.028 0.000 0.752 154 L CB -0.772 41.300 42.059 0.022 0.000 0.891 154 L HN 0.215 nan 8.230 nan 0.000 0.432 155 V N 0.021 119.976 119.914 0.068 0.000 2.392 155 V HA -0.301 3.379 4.120 -0.735 0.000 0.249 155 V C 2.398 178.516 176.094 0.041 0.000 1.059 155 V CA 1.637 63.976 62.300 0.065 0.000 1.051 155 V CB -0.450 31.429 31.823 0.094 0.000 0.658 155 V HN 0.374 nan 8.190 nan 0.000 0.455 156 L N -0.605 120.640 121.223 0.036 0.000 2.129 156 L HA -0.200 3.699 4.340 -0.735 0.000 0.212 156 L C 2.171 179.048 176.870 0.013 0.000 1.087 156 L CA 1.465 56.318 54.840 0.022 0.000 0.757 156 L CB -0.477 41.594 42.059 0.020 0.000 0.896 156 L HN 0.337 nan 8.230 nan 0.000 0.434 157 L N -0.707 120.524 121.223 0.013 0.000 2.558 157 L HA 0.144 4.043 4.340 -0.735 0.000 0.225 157 L C 1.421 178.295 176.870 0.007 0.000 1.128 157 L CA 0.591 55.435 54.840 0.007 0.000 0.868 157 L CB -0.449 41.612 42.059 0.003 0.000 1.006 157 L HN 0.507 nan 8.230 nan 0.000 0.454 158 G N 0.207 109.015 108.800 0.012 0.000 2.132 158 G HA2 -0.186 3.333 3.960 -0.735 0.000 0.228 158 G HA3 -0.186 3.333 3.960 -0.735 0.000 0.228 158 G C 0.072 174.979 174.900 0.013 0.000 1.000 158 G CA -0.088 45.020 45.100 0.012 0.000 0.693 158 G HN 0.325 nan 8.290 nan 0.000 0.515 159 E N -0.539 119.670 120.200 0.016 0.000 2.334 159 E HA 0.707 4.617 4.350 -0.735 0.000 0.256 159 E C 1.081 177.696 176.600 0.024 0.000 0.958 159 E CA 0.212 56.619 56.400 0.012 0.000 0.821 159 E CB 0.977 30.678 29.700 0.001 0.000 1.269 159 E HN 1.432 nan 8.360 nan 0.000 0.413 160 G N 0.970 109.777 108.800 0.012 0.000 2.569 160 G HA2 -0.270 3.250 3.960 -0.735 0.000 0.259 160 G HA3 -0.270 3.250 3.960 -0.735 0.000 0.259 160 G C -0.481 174.431 174.900 0.021 0.000 1.263 160 G CA 0.706 45.820 45.100 0.023 0.000 0.928 160 G HN 0.709 nan 8.290 nan 0.000 0.572 161 K N -1.482 118.953 120.400 0.058 0.000 2.548 161 K HA 0.849 4.728 4.320 -0.735 0.000 0.282 161 K C -0.675 176.095 176.600 0.283 0.000 1.006 161 K CA -0.455 55.896 56.287 0.106 0.000 0.892 161 K CB 1.664 34.152 32.500 -0.021 0.000 1.499 161 K HN 2.222 nan 8.250 nan 0.000 0.433 162 A N 0.980 124.042 122.820 0.403 0.000 2.539 162 A HA 0.658 4.537 4.320 -0.735 0.000 0.296 162 A C -1.527 176.365 177.584 0.514 0.000 1.073 162 A CA -0.887 51.430 52.037 0.467 0.000 0.700 162 A CB 1.934 21.081 19.000 0.245 0.000 1.296 162 A HN 0.725 nan 8.150 nan 0.000 0.405 163 R N 0.559 121.252 120.500 0.322 0.000 2.312 163 R HA 0.568 4.468 4.340 -0.735 0.000 0.311 163 R C -1.875 174.482 176.300 0.095 0.000 1.004 163 R CA -0.261 55.803 56.100 -0.059 0.000 0.902 163 R CB 0.844 30.821 30.300 -0.539 0.000 1.073 163 R HN 0.745 nan 8.270 nan 0.000 0.457 164 Y N 3.973 124.220 120.300 -0.088 0.000 2.354 164 Y HA 0.218 4.328 4.550 -0.734 0.000 0.330 164 Y C -0.776 175.082 175.900 -0.071 0.000 1.011 164 Y CA -1.088 56.966 58.100 -0.077 0.000 1.099 164 Y CB 1.291 39.716 38.460 -0.059 0.000 1.179 164 Y HN 0.716 nan 8.280 nan 0.000 0.442 165 K N 4.459 124.493 120.400 -0.609 0.000 3.035 165 K HA -0.230 3.649 4.320 -0.735 0.000 0.262 165 K C 0.859 177.303 176.600 -0.261 0.000 1.024 165 K CA 1.112 57.104 56.287 -0.492 0.000 0.748 165 K CB -1.814 30.305 32.500 -0.635 0.000 1.247 165 K HN 1.539 nan 8.250 nan 0.000 0.482 166 G N -0.418 108.253 108.800 -0.216 0.000 2.162 166 G HA2 -0.337 3.182 3.960 -0.735 0.000 0.260 166 G HA3 -0.337 3.182 3.960 -0.735 0.000 0.260 166 G C -0.065 174.675 174.900 -0.267 0.000 0.976 166 G CA 0.997 45.964 45.100 -0.222 0.000 0.655 166 G HN 0.407 nan 8.290 nan 0.000 0.533 167 Q N -1.206 118.460 119.800 -0.222 0.000 2.345 167 Q HA 0.622 4.521 4.340 -0.735 0.000 0.268 167 Q C -0.356 175.559 176.000 -0.141 0.000 1.054 167 Q CA -0.695 55.008 55.803 -0.168 0.000 0.835 167 Q CB 0.957 29.678 28.738 -0.028 0.000 1.339 167 Q HN 0.399 nan 8.270 nan 0.000 0.447 168 W N 2.752 124.100 121.300 0.080 0.000 2.266 168 W HA 0.407 4.627 4.660 -0.735 0.000 0.317 168 W C -0.379 176.187 176.519 0.077 0.000 1.310 168 W CA -0.331 57.066 57.345 0.086 0.000 1.207 168 W CB 0.438 29.938 29.460 0.067 0.000 1.199 168 W HN 0.296 nan 8.180 nan 0.000 0.544 169 L N 3.189 124.621 121.223 0.349 0.000 2.319 169 L HA 0.443 4.342 4.340 -0.735 0.000 0.267 169 L C 0.695 177.672 176.870 0.178 0.000 1.011 169 L CA -1.193 53.775 54.840 0.213 0.000 0.818 169 L CB 1.708 43.858 42.059 0.153 0.000 1.316 169 L HN 0.478 nan 8.230 nan 0.000 0.432 170 S N 0.532 116.298 115.700 0.109 0.000 2.576 170 S HA 0.144 4.173 4.470 -0.735 0.000 0.272 170 S C 1.112 175.753 174.600 0.068 0.000 1.352 170 S CA 0.015 58.258 58.200 0.072 0.000 1.021 170 S CB 1.322 64.548 63.200 0.044 0.000 0.887 170 S HN 0.732 nan 8.310 nan 0.000 0.542 171 A N 2.092 124.945 122.820 0.055 0.000 1.940 171 A HA -0.078 3.802 4.320 -0.735 0.000 0.219 171 A C 2.432 180.032 177.584 0.027 0.000 1.176 171 A CA 2.159 54.226 52.037 0.050 0.000 0.631 171 A CB -1.964 17.060 19.000 0.041 0.000 0.814 171 A HN 1.164 nan 8.150 nan 0.000 0.446 172 T N -2.113 112.452 114.554 0.018 0.000 2.857 172 T HA -0.071 3.838 4.350 -0.735 0.000 0.266 172 T C 1.607 176.303 174.700 -0.006 0.000 1.048 172 T CA 1.322 63.425 62.100 0.004 0.000 1.139 172 T CB -0.321 68.549 68.868 0.004 0.000 0.874 172 T HN 0.625 nan 8.240 nan 0.000 0.455 173 E N 1.679 121.880 120.200 0.002 0.000 2.047 173 E HA 0.028 3.937 4.350 -0.735 0.000 0.191 173 E C 2.671 179.243 176.600 -0.047 0.000 0.987 173 E CA 0.968 57.361 56.400 -0.012 0.000 0.799 173 E CB -0.373 29.334 29.700 0.012 0.000 0.752 173 E HN 0.636 nan 8.360 nan 0.000 0.449 174 A N 1.306 124.110 122.820 -0.026 0.000 1.883 174 A HA -0.189 3.691 4.320 -0.735 0.000 0.217 174 A C 2.216 179.744 177.584 -0.092 0.000 1.186 174 A CA 1.194 53.194 52.037 -0.061 0.000 0.624 174 A CB -0.752 18.260 19.000 0.020 0.000 0.822 174 A HN 0.140 nan 8.150 nan 0.000 0.444 175 L N -0.840 120.355 121.223 -0.048 0.000 2.046 175 L HA -0.220 3.679 4.340 -0.735 0.000 0.208 175 L C 3.100 179.928 176.870 -0.070 0.000 1.077 175 L CA 1.083 55.894 54.840 -0.049 0.000 0.747 175 L CB -0.519 41.526 42.059 -0.023 0.000 0.896 175 L HN 0.458 nan 8.230 nan 0.000 0.432 176 A N -0.462 122.317 122.820 -0.069 0.000 1.933 176 A HA -0.148 3.731 4.320 -0.735 0.000 0.218 176 A C 2.320 179.838 177.584 -0.111 0.000 1.175 176 A CA 1.660 53.654 52.037 -0.071 0.000 0.628 176 A CB -0.778 18.189 19.000 -0.055 0.000 0.814 176 A HN 0.208 nan 8.150 nan 0.000 0.444 177 V N -0.337 119.472 119.914 -0.176 0.000 2.332 177 V HA -0.242 3.437 4.120 -0.735 0.000 0.248 177 V C 2.772 178.735 176.094 -0.220 0.000 1.055 177 V CA 1.926 64.058 62.300 -0.280 0.000 1.038 177 V CB -0.978 30.500 31.823 -0.576 0.000 0.651 177 V HN 0.599 nan 8.190 nan 0.000 0.450 178 A N -0.759 121.955 122.820 -0.176 0.000 2.238 178 A HA 0.418 4.297 4.320 -0.735 0.000 0.208 178 A C 1.833 179.370 177.584 -0.078 0.000 1.177 178 A CA 0.876 52.840 52.037 -0.122 0.000 0.804 178 A CB -0.530 18.408 19.000 -0.104 0.000 0.823 178 A HN 1.261 nan 8.150 nan 0.000 0.482 179 G N -1.170 107.586 108.800 -0.073 0.000 2.160 179 G HA2 -0.202 3.317 3.960 -0.735 0.000 0.244 179 G HA3 -0.202 3.317 3.960 -0.735 0.000 0.244 179 G C -0.069 174.809 174.900 -0.038 0.000 1.022 179 G CA 0.521 45.592 45.100 -0.049 0.000 0.741 179 G HN 0.478 nan 8.290 nan 0.000 0.508 180 L N -1.239 119.959 121.223 -0.040 0.000 2.286 180 L HA 0.885 4.785 4.340 -0.735 0.000 0.265 180 L C 0.351 177.207 176.870 -0.024 0.000 1.012 180 L CA -1.172 53.651 54.840 -0.028 0.000 0.818 180 L CB 1.801 43.845 42.059 -0.025 0.000 1.337 180 L HN 0.148 nan 8.230 nan 0.000 0.438 181 E N -0.005 120.185 120.200 -0.017 0.000 2.320 181 E HA 0.429 4.339 4.350 -0.735 0.000 0.264 181 E C -2.498 174.097 176.600 -0.008 0.000 0.923 181 E CA -1.814 54.578 56.400 -0.013 0.000 0.796 181 E CB 1.755 31.448 29.700 -0.011 0.000 1.262 181 E HN 0.298 nan 8.360 nan 0.000 0.428 182 P HA -0.031 nan 4.420 nan 0.000 0.264 182 P C -0.865 176.434 177.300 -0.002 0.000 1.183 182 P CA 0.415 63.514 63.100 -0.002 0.000 0.763 182 P CB 0.376 32.075 31.700 -0.001 0.000 0.807 183 L N 2.278 123.500 121.223 -0.001 0.000 2.379 183 L HA 0.342 4.242 4.340 -0.735 0.000 0.269 183 L C 0.589 177.458 176.870 -0.003 0.000 1.084 183 L CA -0.121 54.717 54.840 -0.002 0.000 0.802 183 L CB 1.028 43.086 42.059 -0.002 0.000 1.175 183 L HN 0.293 nan 8.230 nan 0.000 0.448 184 T N 3.461 118.013 114.554 -0.004 0.000 2.772 184 T HA 0.457 4.366 4.350 -0.735 0.000 0.288 184 T C -0.081 174.614 174.700 -0.008 0.000 0.994 184 T CA -0.454 61.643 62.100 -0.005 0.000 0.951 184 T CB 0.706 69.573 68.868 -0.002 0.000 0.933 184 T HN 0.252 nan 8.240 nan 0.000 0.447 185 L N 2.655 123.871 121.223 -0.011 0.000 2.436 185 L HA 0.653 4.552 4.340 -0.735 0.000 0.265 185 L C 0.807 177.664 176.870 -0.022 0.000 1.168 185 L CA -0.503 54.327 54.840 -0.017 0.000 0.815 185 L CB 0.588 42.635 42.059 -0.020 0.000 1.109 185 L HN 0.667 nan 8.230 nan 0.000 0.462 186 A N 1.901 124.705 122.820 -0.027 0.000 2.284 186 A HA 0.814 4.693 4.320 -0.735 0.000 0.317 186 A C -0.129 177.428 177.584 -0.045 0.000 1.120 186 A CA -0.384 51.633 52.037 -0.034 0.000 0.900 186 A CB 0.723 19.705 19.000 -0.031 0.000 1.319 186 A HN 0.765 nan 8.150 nan 0.000 0.494 187 A N -0.413 122.374 122.820 -0.055 0.000 2.584 187 A HA 0.363 4.243 4.320 -0.735 0.000 0.239 187 A C 1.122 178.669 177.584 -0.063 0.000 1.043 187 A CA 1.401 53.397 52.037 -0.067 0.000 0.756 187 A CB -0.465 18.493 19.000 -0.070 0.000 0.963 187 A HN 2.039 nan 8.150 nan 0.000 0.511 188 K N 0.644 121.002 120.400 -0.071 0.000 3.596 188 K HA -0.248 3.632 4.320 -0.735 0.000 0.295 188 K C 0.791 177.359 176.600 -0.054 0.000 1.230 188 K CA 2.628 58.874 56.287 -0.069 0.000 1.029 188 K CB -1.910 30.546 32.500 -0.073 0.000 1.303 188 K HN 0.833 nan 8.250 nan 0.000 0.442 189 E N -0.784 119.389 120.200 -0.045 0.000 2.107 189 E HA -0.027 3.882 4.350 -0.735 0.000 0.191 189 E C 1.963 178.543 176.600 -0.034 0.000 0.982 189 E CA 0.906 57.285 56.400 -0.035 0.000 0.809 189 E CB -0.294 29.388 29.700 -0.030 0.000 0.756 189 E HN 0.569 nan 8.360 nan 0.000 0.459 190 G N 1.731 110.507 108.800 -0.039 0.000 2.491 190 G HA2 -0.269 3.250 3.960 -0.735 0.000 0.218 190 G HA3 -0.269 3.250 3.960 -0.735 0.000 0.218 190 G C 1.578 176.444 174.900 -0.057 0.000 1.180 190 G CA 0.589 45.659 45.100 -0.049 0.000 0.774 190 G HN 0.103 nan 8.290 nan 0.000 0.562 191 L N 0.589 121.783 121.223 -0.049 0.000 2.141 191 L HA -0.028 3.871 4.340 -0.735 0.000 0.209 191 L C 3.392 180.240 176.870 -0.037 0.000 1.094 191 L CA 0.846 55.657 54.840 -0.049 0.000 0.763 191 L CB -0.358 41.672 42.059 -0.049 0.000 0.908 191 L HN 0.344 nan 8.230 nan 0.000 0.437 192 A N 0.049 122.849 122.820 -0.035 0.000 1.930 192 A HA -0.133 3.746 4.320 -0.735 0.000 0.217 192 A C 2.224 179.802 177.584 -0.011 0.000 1.175 192 A CA 1.220 53.244 52.037 -0.022 0.000 0.627 192 A CB -0.468 18.518 19.000 -0.023 0.000 0.815 192 A HN 0.345 nan 8.150 nan 0.000 0.443 193 L N -0.776 120.439 121.223 -0.012 0.000 2.044 193 L HA -0.096 3.804 4.340 -0.735 0.000 0.205 193 L C 2.447 179.319 176.870 0.003 0.000 1.075 193 L CA 0.949 55.789 54.840 -0.001 0.000 0.747 193 L CB -0.381 41.677 42.059 -0.002 0.000 0.903 193 L HN 0.354 nan 8.230 nan 0.000 0.435 194 L N -1.091 120.127 121.223 -0.009 0.000 2.209 194 L HA -0.017 3.882 4.340 -0.735 0.000 0.207 194 L C 0.679 177.558 176.870 0.015 0.000 1.094 194 L CA 0.342 55.186 54.840 0.006 0.000 0.790 194 L CB -0.473 41.578 42.059 -0.013 0.000 0.932 194 L HN 0.291 nan 8.230 nan 0.000 0.447 195 N N -0.141 118.560 118.700 0.003 0.000 2.467 195 N HA 0.434 4.734 4.740 -0.735 0.000 0.262 195 N C 0.164 175.676 175.510 0.003 0.000 1.234 195 N CA 0.488 53.542 53.050 0.005 0.000 0.952 195 N CB 0.955 39.442 38.487 0.000 0.000 1.158 195 N HN 0.193 nan 8.380 nan 0.000 0.463 196 G N -0.883 107.917 108.800 0.000 0.000 2.371 196 G HA2 -0.123 3.397 3.960 -0.735 0.000 0.663 196 G HA3 -0.123 3.397 3.960 -0.735 0.000 0.663 196 G C -0.106 174.783 174.900 -0.018 0.000 1.311 196 G CA -0.228 44.870 45.100 -0.003 0.000 0.985 196 G HN 0.577 nan 8.290 nan 0.000 0.566 197 T N -2.916 111.625 114.554 -0.021 0.000 3.228 197 T HA 0.382 4.291 4.350 -0.735 0.000 0.278 197 T C 1.426 176.093 174.700 -0.055 0.000 1.014 197 T CA 0.710 62.785 62.100 -0.041 0.000 0.904 197 T CB 0.775 69.628 68.868 -0.025 0.000 1.110 197 T HN 0.468 nan 8.240 nan 0.000 0.541 198 Q N 1.265 121.039 119.800 -0.042 0.000 2.167 198 Q HA 0.291 4.191 4.340 -0.735 0.000 0.202 198 Q C 2.503 178.462 176.000 -0.068 0.000 0.970 198 Q CA 1.600 57.384 55.803 -0.032 0.000 0.855 198 Q CB -0.443 28.294 28.738 -0.002 0.000 0.911 198 Q HN 0.731 nan 8.270 nan 0.000 0.438 199 A N -0.131 122.605 122.820 -0.140 0.000 1.854 199 A HA -0.153 3.727 4.320 -0.735 0.000 0.214 199 A C 2.245 179.526 177.584 -0.505 0.000 1.192 199 A CA 1.548 53.398 52.037 -0.310 0.000 0.611 199 A CB -0.768 17.999 19.000 -0.387 0.000 0.832 199 A HN 0.291 nan 8.150 nan 0.000 0.442 200 S N -0.105 115.357 115.700 -0.396 0.000 2.359 200 S HA -0.188 3.841 4.470 -0.735 0.000 0.223 200 S C 2.077 176.613 174.600 -0.107 0.000 1.039 200 S CA 2.068 60.106 58.200 -0.271 0.000 1.042 200 S CB -0.755 62.351 63.200 -0.157 0.000 0.915 200 S HN 0.708 nan 8.310 nan 0.000 0.439 201 T N 2.315 116.821 114.554 -0.080 0.000 2.684 201 T HA -0.097 3.812 4.350 -0.735 0.000 0.267 201 T C 2.134 176.827 174.700 -0.011 0.000 1.036 201 T CA 1.348 63.424 62.100 -0.040 0.000 1.148 201 T CB -0.605 68.243 68.868 -0.032 0.000 0.863 201 T HN 0.486 nan 8.240 nan 0.000 0.436 202 A N 0.662 123.497 122.820 0.025 0.000 1.902 202 A HA -0.104 3.775 4.320 -0.735 0.000 0.217 202 A C 2.094 179.819 177.584 0.235 0.000 1.181 202 A CA 1.377 53.474 52.037 0.101 0.000 0.623 202 A CB -0.981 18.109 19.000 0.150 0.000 0.818 202 A HN 0.489 nan 8.150 nan 0.000 0.443 203 Y N -0.232 120.133 120.300 0.107 0.000 2.128 203 Y HA -0.116 3.993 4.550 -0.734 0.000 0.284 203 Y C 2.952 178.958 175.900 0.176 0.000 1.154 203 Y CA 0.449 58.723 58.100 0.290 0.000 1.149 203 Y CB -1.196 37.368 38.460 0.173 0.000 0.976 203 Y HN 0.342 nan 8.280 nan 0.000 0.505 204 A N -0.559 122.359 122.820 0.163 0.000 1.968 204 A HA -0.044 3.835 4.320 -0.735 0.000 0.217 204 A C 2.352 179.843 177.584 -0.154 0.000 1.169 204 A CA 0.855 52.897 52.037 0.009 0.000 0.638 204 A CB -0.948 18.036 19.000 -0.026 0.000 0.812 204 A HN 0.432 nan 8.150 nan 0.000 0.446 205 L N -0.823 120.245 121.223 -0.258 0.000 2.093 205 L HA -0.141 3.758 4.340 -0.735 0.000 0.208 205 L C 2.735 178.991 176.870 -1.023 0.000 1.085 205 L CA 1.569 56.008 54.840 -0.668 0.000 0.755 205 L CB -0.356 41.359 42.059 -0.573 0.000 0.904 205 L HN 0.508 nan 8.230 nan 0.000 0.435 206 R N 0.289 120.414 120.500 -0.625 0.000 2.096 206 R HA -0.147 3.752 4.340 -0.735 0.000 0.235 206 R C 2.184 178.092 176.300 -0.654 0.000 1.127 206 R CA 1.556 57.183 56.100 -0.789 0.000 0.968 206 R CB -0.533 29.407 30.300 -0.600 0.000 0.861 206 R HN 0.339 nan 8.270 nan 0.000 0.440 207 G N 1.432 110.109 108.800 -0.206 0.000 2.418 207 G HA2 -0.278 3.241 3.960 -0.735 0.000 0.217 207 G HA3 -0.278 3.241 3.960 -0.735 0.000 0.217 207 G C 1.323 176.176 174.900 -0.079 0.000 1.158 207 G CA 0.788 45.883 45.100 -0.009 0.000 0.771 207 G HN 0.344 nan 8.290 nan 0.000 0.545 208 L N -0.282 120.799 121.223 -0.236 0.000 2.017 208 L HA 0.082 3.981 4.340 -0.735 0.000 0.208 208 L C 2.518 179.361 176.870 -0.046 0.000 1.073 208 L CA 1.644 56.376 54.840 -0.181 0.000 0.745 208 L CB -0.621 41.257 42.059 -0.302 0.000 0.894 208 L HN 0.149 nan 8.230 nan 0.000 0.432 209 F N -0.974 118.893 119.950 -0.138 0.000 2.126 209 F HA -0.211 3.875 4.527 -0.736 0.000 0.299 209 F C 2.396 178.248 175.800 0.087 0.000 1.096 209 F CA 0.979 58.924 58.000 -0.092 0.000 1.255 209 F CB -1.541 37.317 39.000 -0.236 0.000 0.997 209 F HN 0.115 nan 8.300 nan 0.000 0.479 210 Y N 0.125 120.527 120.300 0.169 0.000 2.200 210 Y HA -0.070 4.041 4.550 -0.732 0.000 0.290 210 Y C 2.591 178.558 175.900 0.111 0.000 1.137 210 Y CA 0.378 58.557 58.100 0.131 0.000 1.163 210 Y CB -1.568 36.966 38.460 0.124 0.000 0.988 210 Y HN 0.025 nan 8.280 nan 0.000 0.518 211 A N 0.197 123.174 122.820 0.262 0.000 1.908 211 A HA -0.235 3.644 4.320 -0.735 0.000 0.218 211 A C 2.162 179.850 177.584 0.173 0.000 1.181 211 A CA 1.958 54.102 52.037 0.179 0.000 0.627 211 A CB -0.700 18.370 19.000 0.116 0.000 0.818 211 A HN 0.535 nan 8.150 nan 0.000 0.445 212 E N -0.236 120.063 120.200 0.165 0.000 2.051 212 E HA -0.185 3.724 4.350 -0.735 0.000 0.192 212 E C 1.582 178.284 176.600 0.171 0.000 0.991 212 E CA 1.110 57.600 56.400 0.150 0.000 0.799 212 E CB -0.232 29.548 29.700 0.134 0.000 0.748 212 E HN 0.535 nan 8.360 nan 0.000 0.449 213 D N 0.874 121.376 120.400 0.170 0.000 2.116 213 D HA -0.176 4.023 4.640 -0.735 0.000 0.193 213 D C 2.071 178.418 176.300 0.079 0.000 0.998 213 D CA 1.010 55.081 54.000 0.119 0.000 0.836 213 D CB -0.283 40.604 40.800 0.145 0.000 0.951 213 D HN 0.158 nan 8.370 nan 0.000 0.449 214 L N -0.472 120.813 121.223 0.104 0.000 2.093 214 L HA -0.169 3.731 4.340 -0.735 0.000 0.208 214 L C 2.450 179.358 176.870 0.063 0.000 1.085 214 L CA 0.804 55.682 54.840 0.064 0.000 0.755 214 L CB -0.526 41.585 42.059 0.087 0.000 0.904 214 L HN 0.066 nan 8.230 nan 0.000 0.435 215 Y N 1.093 121.395 120.300 0.004 0.000 2.097 215 Y HA -0.361 3.749 4.550 -0.732 0.000 0.282 215 Y C 2.563 178.424 175.900 -0.065 0.000 1.152 215 Y CA 1.730 59.821 58.100 -0.015 0.000 1.136 215 Y CB -0.300 38.158 38.460 -0.002 0.000 0.975 215 Y HN 0.100 nan 8.280 nan 0.000 0.498 216 A N 0.573 123.426 122.820 0.057 0.000 1.908 216 A HA -0.184 3.695 4.320 -0.735 0.000 0.218 216 A C 2.401 179.853 177.584 -0.220 0.000 1.181 216 A CA 2.186 54.175 52.037 -0.079 0.000 0.627 216 A CB -1.595 17.404 19.000 -0.001 0.000 0.818 216 A HN 0.676 nan 8.150 nan 0.000 0.445 217 A N -0.362 122.348 122.820 -0.184 0.000 1.930 217 A HA 0.212 4.091 4.320 -0.735 0.000 0.217 217 A C 2.478 179.902 177.584 -0.267 0.000 1.175 217 A CA 1.935 53.816 52.037 -0.258 0.000 0.627 217 A CB -0.920 17.945 19.000 -0.226 0.000 0.815 217 A HN 1.056 nan 8.150 nan 0.000 0.443 218 A N 0.067 122.752 122.820 -0.224 0.000 1.930 218 A HA -0.025 3.854 4.320 -0.735 0.000 0.217 218 A C 1.948 179.389 177.584 -0.238 0.000 1.175 218 A CA 1.492 53.421 52.037 -0.180 0.000 0.627 218 A CB -0.463 18.460 19.000 -0.129 0.000 0.815 218 A HN 0.405 nan 8.150 nan 0.000 0.443 219 I N 0.163 120.456 120.570 -0.462 0.000 2.208 219 I HA -0.250 3.479 4.170 -0.735 0.000 0.245 219 I C 2.871 178.718 176.117 -0.450 0.000 1.097 219 I CA 1.536 62.417 61.300 -0.698 0.000 1.363 219 I CB -1.736 35.710 38.000 -0.923 0.000 1.051 219 I HN 0.356 nan 8.210 nan 0.000 0.413 220 A N 0.017 122.633 122.820 -0.340 0.000 1.897 220 A HA -0.181 3.699 4.320 -0.735 0.000 0.215 220 A C 2.595 180.087 177.584 -0.154 0.000 1.181 220 A CA 1.604 53.494 52.037 -0.244 0.000 0.620 220 A CB -1.151 17.686 19.000 -0.273 0.000 0.821 220 A HN 0.493 nan 8.150 nan 0.000 0.443 221 C N -0.919 118.276 119.300 -0.175 0.000 2.429 221 C HA -0.002 4.017 4.460 -0.735 0.000 0.277 221 C C 2.974 177.988 174.990 0.041 0.000 1.262 221 C CA 0.714 59.691 59.018 -0.068 0.000 1.733 221 C CB -1.564 26.134 27.740 -0.070 0.000 2.010 221 C HN 0.703 nan 8.230 nan 0.000 0.483 222 G N 0.116 108.962 108.800 0.076 0.000 2.422 222 G HA2 0.044 3.564 3.960 -0.735 0.000 0.218 222 G HA3 0.044 3.564 3.960 -0.735 0.000 0.218 222 G C 1.751 176.791 174.900 0.233 0.000 1.140 222 G CA 1.127 46.344 45.100 0.195 0.000 0.775 222 G HN 0.579 nan 8.290 nan 0.000 0.545 223 G N 1.071 109.998 108.800 0.212 0.000 2.404 223 G HA2 -0.136 3.383 3.960 -0.735 0.000 0.215 223 G HA3 -0.136 3.383 3.960 -0.735 0.000 0.215 223 G C 1.794 176.751 174.900 0.095 0.000 1.174 223 G CA 0.742 45.931 45.100 0.148 0.000 0.780 223 G HN 0.413 nan 8.290 nan 0.000 0.537 224 L N 0.819 122.089 121.223 0.078 0.000 2.042 224 L HA -0.112 3.787 4.340 -0.735 0.000 0.210 224 L C 3.202 180.122 176.870 0.082 0.000 1.076 224 L CA 1.355 56.248 54.840 0.088 0.000 0.749 224 L CB -0.439 41.696 42.059 0.126 0.000 0.893 224 L HN 0.160 nan 8.230 nan 0.000 0.432 225 S N -0.622 115.130 115.700 0.086 0.000 2.382 225 S HA -0.148 3.882 4.470 -0.735 0.000 0.228 225 S C 2.068 176.702 174.600 0.057 0.000 1.027 225 S CA 1.169 59.407 58.200 0.064 0.000 0.991 225 S CB -0.246 62.995 63.200 0.068 0.000 0.823 225 S HN 0.160 nan 8.310 nan 0.000 0.469 226 V N 2.152 122.117 119.914 0.085 0.000 2.332 226 V HA -0.176 3.503 4.120 -0.735 0.000 0.248 226 V C 2.534 178.666 176.094 0.063 0.000 1.055 226 V CA 1.654 64.007 62.300 0.089 0.000 1.038 226 V CB -0.510 31.404 31.823 0.151 0.000 0.651 226 V HN 0.448 nan 8.190 nan 0.000 0.450 227 E N 0.028 120.267 120.200 0.065 0.000 2.072 227 E HA -0.125 3.784 4.350 -0.735 0.000 0.190 227 E C 2.376 178.987 176.600 0.019 0.000 0.982 227 E CA 1.322 57.753 56.400 0.052 0.000 0.803 227 E CB -0.402 29.334 29.700 0.060 0.000 0.755 227 E HN 0.573 nan 8.360 nan 0.000 0.453 228 A N 1.407 124.237 122.820 0.018 0.000 1.940 228 A HA -0.144 3.736 4.320 -0.735 0.000 0.219 228 A C 2.301 179.864 177.584 -0.035 0.000 1.176 228 A CA 1.823 53.857 52.037 -0.005 0.000 0.631 228 A CB -0.458 18.539 19.000 -0.005 0.000 0.814 228 A HN 0.196 nan 8.150 nan 0.000 0.446 229 V N -3.506 116.386 119.914 -0.037 0.000 3.444 229 V HA 0.414 4.094 4.120 -0.735 0.000 0.308 229 V C 0.515 176.548 176.094 -0.101 0.000 1.371 229 V CA 0.091 62.354 62.300 -0.062 0.000 1.141 229 V CB -1.071 30.725 31.823 -0.044 0.000 1.037 229 V HN 0.468 nan 8.190 nan 0.000 0.433 230 L N 0.327 121.477 121.223 -0.123 0.000 3.597 230 L HA -0.156 3.744 4.340 -0.735 0.000 0.440 230 L C 1.016 177.804 176.870 -0.138 0.000 1.277 230 L CA 0.321 55.008 54.840 -0.256 0.000 0.852 230 L CB -2.127 39.582 42.059 -0.584 0.000 1.708 230 L HN 0.602 nan 8.230 nan 0.000 0.885 231 G N -0.213 108.577 108.800 -0.016 0.000 2.599 231 G HA2 0.400 3.919 3.960 -0.735 0.000 0.264 231 G HA3 0.400 3.919 3.960 -0.735 0.000 0.264 231 G C 0.193 175.152 174.900 0.099 0.000 1.200 231 G CA 0.455 45.576 45.100 0.036 0.000 0.896 231 G HN 0.214 nan 8.290 nan 0.000 0.536 232 S N -1.553 114.199 115.700 0.088 0.000 2.646 232 S HA 0.325 4.354 4.470 -0.735 0.000 0.276 232 S C 1.306 175.997 174.600 0.152 0.000 1.222 232 S CA -0.626 57.637 58.200 0.105 0.000 1.014 232 S CB 1.189 64.418 63.200 0.048 0.000 0.991 232 S HN 0.519 nan 8.310 nan 0.000 0.533 233 R N 1.249 121.861 120.500 0.186 0.000 2.290 233 R HA 0.157 4.056 4.340 -0.735 0.000 0.197 233 R C 2.206 178.643 176.300 0.229 0.000 0.913 233 R CA 0.459 56.760 56.100 0.335 0.000 1.040 233 R CB -0.116 30.338 30.300 0.256 0.000 0.992 233 R HN 0.560 nan 8.270 nan 0.000 0.500 234 S N 1.566 117.309 115.700 0.070 0.000 2.380 234 S HA -0.113 3.916 4.470 -0.735 0.000 0.229 234 S C -0.993 173.550 174.600 -0.095 0.000 1.043 234 S CA 1.419 59.621 58.200 0.004 0.000 1.038 234 S CB -0.886 62.302 63.200 -0.019 0.000 0.872 234 S HN 0.227 nan 8.310 nan 0.000 0.456 235 P HA -0.058 nan 4.420 nan 0.000 0.221 235 P C 0.551 177.652 177.300 -0.332 0.000 1.145 235 P CA 0.947 63.787 63.100 -0.432 0.000 0.795 235 P CB -0.193 31.061 31.700 -0.744 0.000 0.775 236 F N -1.608 118.415 119.950 0.123 0.000 2.765 236 F HA 0.116 4.201 4.527 -0.737 0.000 0.302 236 F C 1.053 177.017 175.800 0.273 0.000 1.111 236 F CA -0.668 57.459 58.000 0.212 0.000 1.359 236 F CB -0.733 38.317 39.000 0.082 0.000 1.097 236 F HN -0.132 nan 8.300 nan 0.000 0.577 237 D N 1.403 121.959 120.400 0.260 0.000 2.472 237 D HA 0.024 4.224 4.640 -0.735 0.000 0.248 237 D C 1.449 177.849 176.300 0.168 0.000 1.174 237 D CA 0.460 54.553 54.000 0.156 0.000 0.883 237 D CB 1.435 42.259 40.800 0.041 0.000 1.149 237 D HN 0.242 nan 8.370 nan 0.000 0.488 238 A N 5.588 128.526 122.820 0.197 0.000 1.986 238 A HA -0.234 3.645 4.320 -0.735 0.000 0.220 238 A C 2.156 179.793 177.584 0.088 0.000 1.171 238 A CA 1.319 53.478 52.037 0.204 0.000 0.640 238 A CB -0.192 18.889 19.000 0.135 0.000 0.811 238 A HN 0.729 nan 8.150 nan 0.000 0.451 239 R N -0.693 119.814 120.500 0.013 0.000 2.115 239 R HA 0.015 3.915 4.340 -0.735 0.000 0.230 239 R C 1.875 178.110 176.300 -0.109 0.000 1.111 239 R CA 1.331 57.413 56.100 -0.030 0.000 0.976 239 R CB -0.417 29.866 30.300 -0.029 0.000 0.870 239 R HN 0.594 nan 8.270 nan 0.000 0.445 240 I N 0.079 120.497 120.570 -0.254 0.000 2.226 240 I HA -0.292 3.437 4.170 -0.735 0.000 0.245 240 I C 2.012 177.874 176.117 -0.425 0.000 1.100 240 I CA 1.281 62.324 61.300 -0.429 0.000 1.374 240 I CB -0.304 37.283 38.000 -0.688 0.000 1.057 240 I HN 0.279 nan 8.210 nan 0.000 0.413 241 H N 0.067 119.145 119.070 0.013 0.000 2.448 241 H HA 0.009 4.124 4.556 -0.735 0.000 0.292 241 H C 2.024 177.364 175.328 0.021 0.000 1.035 241 H CA 0.665 56.726 56.048 0.023 0.000 1.349 241 H CB -0.123 29.669 29.762 0.050 0.000 1.425 241 H HN 0.286 nan 8.280 nan 0.000 0.539 242 E N 1.268 121.521 120.200 0.089 0.000 2.077 242 E HA -0.070 3.839 4.350 -0.735 0.000 0.193 242 E C 2.370 178.984 176.600 0.023 0.000 0.989 242 E CA 0.916 57.348 56.400 0.054 0.000 0.800 242 E CB -0.217 29.506 29.700 0.039 0.000 0.746 242 E HN 0.413 nan 8.360 nan 0.000 0.452 243 A N 1.007 123.823 122.820 -0.008 0.000 2.015 243 A HA -0.155 3.724 4.320 -0.735 0.000 0.219 243 A C 2.182 179.761 177.584 -0.008 0.000 1.163 243 A CA 1.406 53.433 52.037 -0.017 0.000 0.646 243 A CB -0.344 18.632 19.000 -0.041 0.000 0.806 243 A HN 0.089 nan 8.150 nan 0.000 0.448 244 R N -1.389 119.112 120.500 0.001 0.000 2.075 244 R HA 0.100 3.999 4.340 -0.735 0.000 0.226 244 R C 1.528 177.843 176.300 0.025 0.000 1.114 244 R CA 1.217 57.325 56.100 0.014 0.000 0.972 244 R CB -0.192 30.126 30.300 0.030 0.000 0.869 244 R HN 0.713 nan 8.270 nan 0.000 0.437 245 G N 0.120 108.943 108.800 0.039 0.000 2.175 245 G HA2 -0.215 3.304 3.960 -0.735 0.000 0.244 245 G HA3 -0.215 3.304 3.960 -0.735 0.000 0.244 245 G C -0.328 174.595 174.900 0.038 0.000 0.982 245 G CA 0.014 45.135 45.100 0.035 0.000 0.641 245 G HN 0.336 nan 8.290 nan 0.000 0.527 246 Q N -0.072 119.757 119.800 0.048 0.000 2.295 246 Q HA 0.434 4.333 4.340 -0.735 0.000 0.259 246 Q C 1.359 177.388 176.000 0.049 0.000 0.976 246 Q CA -0.105 55.724 55.803 0.043 0.000 0.923 246 Q CB 1.583 30.349 28.738 0.045 0.000 1.185 246 Q HN 0.453 nan 8.270 nan 0.000 0.410 247 R N 3.128 123.648 120.500 0.034 0.000 2.090 247 R HA -0.074 3.826 4.340 -0.735 0.000 0.228 247 R C 1.835 178.153 176.300 0.030 0.000 1.110 247 R CA 1.914 58.033 56.100 0.031 0.000 0.973 247 R CB -0.692 29.619 30.300 0.018 0.000 0.869 247 R HN 0.775 nan 8.270 nan 0.000 0.440 248 G N 0.205 109.020 108.800 0.026 0.000 2.446 248 G HA2 -0.359 3.160 3.960 -0.735 0.000 0.217 248 G HA3 -0.359 3.160 3.960 -0.735 0.000 0.217 248 G C 1.372 176.308 174.900 0.059 0.000 1.168 248 G CA 0.789 45.905 45.100 0.026 0.000 0.771 248 G HN 0.531 nan 8.290 nan 0.000 0.551 249 Q N -0.181 119.655 119.800 0.060 0.000 2.079 249 Q HA -0.029 3.870 4.340 -0.735 0.000 0.200 249 Q C 2.546 178.548 176.000 0.004 0.000 0.974 249 Q CA 1.009 56.842 55.803 0.050 0.000 0.840 249 Q CB -0.213 28.569 28.738 0.074 0.000 0.898 249 Q HN 0.550 nan 8.270 nan 0.000 0.430 250 I N 1.304 121.904 120.570 0.050 0.000 2.179 250 I HA -0.295 3.435 4.170 -0.735 0.000 0.242 250 I C 1.704 177.847 176.117 0.044 0.000 1.088 250 I CA 1.398 62.735 61.300 0.062 0.000 1.357 250 I CB -0.237 37.812 38.000 0.082 0.000 1.051 250 I HN 0.221 nan 8.210 nan 0.000 0.409 251 D N 0.057 120.486 120.400 0.048 0.000 2.178 251 D HA -0.125 4.074 4.640 -0.735 0.000 0.202 251 D C 2.227 178.575 176.300 0.081 0.000 0.974 251 D CA 1.340 55.371 54.000 0.051 0.000 0.841 251 D CB -0.321 40.499 40.800 0.034 0.000 0.953 251 D HN 0.274 nan 8.370 nan 0.000 0.478 252 T N 0.602 115.228 114.554 0.120 0.000 2.737 252 T HA -0.093 3.816 4.350 -0.735 0.000 0.265 252 T C 2.015 176.847 174.700 0.220 0.000 1.038 252 T CA 1.476 63.697 62.100 0.203 0.000 1.144 252 T CB -0.230 68.802 68.868 0.273 0.000 0.866 252 T HN 0.184 nan 8.240 nan 0.000 0.434 253 A N 1.279 124.162 122.820 0.105 0.000 1.972 253 A HA 0.179 4.059 4.320 -0.735 0.000 0.219 253 A C 2.588 180.262 177.584 0.149 0.000 1.169 253 A CA 1.745 53.855 52.037 0.122 0.000 0.635 253 A CB -0.949 17.821 19.000 -0.383 0.000 0.810 253 A HN 0.501 nan 8.150 nan 0.000 0.446 254 A N -0.938 121.932 122.820 0.084 0.000 1.933 254 A HA -0.157 3.722 4.320 -0.735 0.000 0.218 254 A C 2.284 179.878 177.584 0.017 0.000 1.175 254 A CA 1.650 53.723 52.037 0.060 0.000 0.628 254 A CB -1.208 17.821 19.000 0.048 0.000 0.814 254 A HN 0.599 nan 8.150 nan 0.000 0.444 255 C N -1.910 117.382 119.300 -0.013 0.000 2.446 255 C HA -0.043 3.976 4.460 -0.735 0.000 0.277 255 C C 2.386 177.246 174.990 -0.217 0.000 1.275 255 C CA 0.734 59.678 59.018 -0.123 0.000 1.727 255 C CB -1.719 25.913 27.740 -0.180 0.000 2.010 255 C HN 0.617 nan 8.230 nan 0.000 0.486 256 F N 1.325 121.151 119.950 -0.206 0.000 2.095 256 F HA -0.142 3.943 4.527 -0.737 0.000 0.298 256 F C 2.665 178.214 175.800 -0.418 0.000 1.104 256 F CA 1.622 59.357 58.000 -0.441 0.000 1.232 256 F CB -0.567 37.934 39.000 -0.831 0.000 0.987 256 F HN 0.158 nan 8.300 nan 0.000 0.475 257 R N -0.167 120.292 120.500 -0.069 0.000 2.081 257 R HA -0.207 3.692 4.340 -0.735 0.000 0.235 257 R C 1.849 178.126 176.300 -0.039 0.000 1.131 257 R CA 1.843 57.924 56.100 -0.031 0.000 0.960 257 R CB -0.792 29.541 30.300 0.056 0.000 0.856 257 R HN 0.318 nan 8.270 nan 0.000 0.436 258 D N 0.546 120.917 120.400 -0.048 0.000 2.092 258 D HA -0.144 4.055 4.640 -0.735 0.000 0.193 258 D C 1.869 178.129 176.300 -0.067 0.000 0.994 258 D CA 1.146 55.116 54.000 -0.050 0.000 0.828 258 D CB 0.078 40.844 40.800 -0.056 0.000 0.963 258 D HN 0.072 nan 8.370 nan 0.000 0.450 259 L N -0.203 120.955 121.223 -0.108 0.000 2.109 259 L HA -0.037 3.862 4.340 -0.735 0.000 0.207 259 L C 2.422 179.250 176.870 -0.070 0.000 1.086 259 L CA 0.566 55.344 54.840 -0.103 0.000 0.760 259 L CB -0.371 41.592 42.059 -0.160 0.000 0.910 259 L HN 0.223 nan 8.230 nan 0.000 0.437 260 L N -0.711 120.466 121.223 -0.077 0.000 2.209 260 L HA 0.162 4.061 4.340 -0.735 0.000 0.207 260 L C 1.274 178.136 176.870 -0.013 0.000 1.094 260 L CA 0.546 55.359 54.840 -0.044 0.000 0.790 260 L CB -0.433 41.580 42.059 -0.078 0.000 0.932 260 L HN 0.406 nan 8.230 nan 0.000 0.447 261 G N 0.057 108.849 108.800 -0.014 0.000 2.796 261 G HA2 -0.271 3.248 3.960 -0.735 0.000 0.226 261 G HA3 -0.271 3.248 3.960 -0.735 0.000 0.226 261 G C -0.115 174.801 174.900 0.028 0.000 1.381 261 G CA -0.056 45.049 45.100 0.008 0.000 0.867 261 G HN 0.177 nan 8.290 nan 0.000 0.552 262 D N 0.025 120.445 120.400 0.033 0.000 2.317 262 D HA 0.239 4.438 4.640 -0.735 0.000 0.211 262 D C 1.566 177.894 176.300 0.046 0.000 0.966 262 D CA 1.936 55.963 54.000 0.045 0.000 0.876 262 D CB 0.135 40.956 40.800 0.036 0.000 0.927 262 D HN 1.246 nan 8.370 nan 0.000 0.519 263 S N -1.486 114.237 115.700 0.038 0.000 2.645 263 S HA 0.502 4.532 4.470 -0.735 0.000 0.268 263 S C -0.887 173.734 174.600 0.035 0.000 1.110 263 S CA -0.820 57.404 58.200 0.039 0.000 0.823 263 S CB 1.860 65.075 63.200 0.024 0.000 1.091 263 S HN 0.060 nan 8.310 nan 0.000 0.466 264 S N -0.541 115.184 115.700 0.041 0.000 2.651 264 S HA 0.577 4.606 4.470 -0.735 0.000 0.279 264 S C 0.656 175.280 174.600 0.039 0.000 1.148 264 S CA -0.149 58.074 58.200 0.038 0.000 0.837 264 S CB 1.426 64.653 63.200 0.045 0.000 1.138 264 S HN 1.024 nan 8.310 nan 0.000 0.478 265 E N 0.223 120.444 120.200 0.034 0.000 2.070 265 E HA -0.170 3.739 4.350 -0.735 0.000 0.197 265 E C 1.581 178.212 176.600 0.050 0.000 1.004 265 E CA 2.084 58.505 56.400 0.033 0.000 0.805 265 E CB -0.357 29.360 29.700 0.028 0.000 0.744 265 E HN 0.513 nan 8.360 nan 0.000 0.451 266 V N 1.143 121.093 119.914 0.061 0.000 2.343 266 V HA -0.281 3.399 4.120 -0.735 0.000 0.247 266 V C 2.633 178.817 176.094 0.151 0.000 1.051 266 V CA 2.024 64.375 62.300 0.084 0.000 1.036 266 V CB -0.697 31.168 31.823 0.069 0.000 0.654 266 V HN 0.479 nan 8.190 nan 0.000 0.451 267 S N -0.085 115.703 115.700 0.145 0.000 2.428 267 S HA -0.044 3.985 4.470 -0.735 0.000 0.230 267 S C 1.836 176.472 174.600 0.058 0.000 1.014 267 S CA 1.145 59.480 58.200 0.225 0.000 0.957 267 S CB -0.538 62.761 63.200 0.165 0.000 0.784 267 S HN 0.531 nan 8.310 nan 0.000 0.499 268 L N 2.490 123.725 121.223 0.021 0.000 2.478 268 L HA 0.067 3.966 4.340 -0.735 0.000 0.223 268 L C 2.835 179.686 176.870 -0.032 0.000 1.140 268 L CA 0.828 55.640 54.840 -0.046 0.000 0.842 268 L CB -0.594 41.456 42.059 -0.015 0.000 0.953 268 L HN 0.553 nan 8.230 nan 0.000 0.452 269 S N -0.312 115.420 115.700 0.054 0.000 2.442 269 S HA -0.168 3.862 4.470 -0.735 0.000 0.236 269 S C 0.693 175.363 174.600 0.117 0.000 1.007 269 S CA 0.310 58.561 58.200 0.084 0.000 0.965 269 S CB -0.700 62.568 63.200 0.113 0.000 0.773 269 S HN 0.689 nan 8.310 nan 0.000 0.504 270 H N -1.147 117.931 119.070 0.013 0.000 2.589 270 H HA 0.652 4.769 4.556 -0.732 0.000 0.335 270 H C 0.763 176.097 175.328 0.011 0.000 1.019 270 H CA -1.261 54.794 56.048 0.012 0.000 1.213 270 H CB 1.046 30.816 29.762 0.012 0.000 1.472 270 H HN -0.304 nan 8.280 nan 0.000 0.508 271 K N 2.869 123.267 120.400 -0.004 0.000 2.023 271 K HA -0.225 3.654 4.320 -0.735 0.000 0.227 271 K C -0.216 176.338 176.600 -0.076 0.000 1.054 271 K CA 1.533 57.797 56.287 -0.040 0.000 0.977 271 K CB -0.846 31.659 32.500 0.009 0.000 0.733 271 K HN 0.758 nan 8.250 nan 0.000 0.451 272 N N -0.414 118.302 118.700 0.027 0.000 2.499 272 N HA 0.288 4.587 4.740 -0.735 0.000 0.281 272 N C 0.220 175.831 175.510 0.169 0.000 1.098 272 N CA 0.270 53.355 53.050 0.058 0.000 0.979 272 N CB 1.554 40.091 38.487 0.084 0.000 1.121 272 N HN 0.250 nan 8.380 nan 0.000 0.466 273 A N 1.281 124.148 122.820 0.079 0.000 2.226 273 A HA 0.133 4.012 4.320 -0.735 0.000 0.207 273 A C 0.266 177.957 177.584 0.178 0.000 1.293 273 A CA 0.185 52.381 52.037 0.265 0.000 0.968 273 A CB 0.245 19.258 19.000 0.022 0.000 1.044 273 A HN 0.699 nan 8.150 nan 0.000 0.493 274 D N -1.179 119.275 120.400 0.089 0.000 2.448 274 D HA 0.089 4.288 4.640 -0.735 0.000 0.256 274 D C 1.384 177.707 176.300 0.038 0.000 1.108 274 D CA 0.419 54.452 54.000 0.054 0.000 0.848 274 D CB -0.067 40.752 40.800 0.031 0.000 1.281 274 D HN 0.278 nan 8.370 nan 0.000 0.509 275 K N 0.876 121.299 120.400 0.039 0.000 1.989 275 K HA -0.269 3.610 4.320 -0.735 0.000 0.230 275 K C 0.654 177.266 176.600 0.020 0.000 0.983 275 K CA 1.755 58.059 56.287 0.027 0.000 1.003 275 K CB -0.509 32.011 32.500 0.033 0.000 0.756 275 K HN 0.096 nan 8.250 nan 0.000 0.465 276 V N 1.289 121.217 119.914 0.023 0.000 2.953 276 V HA 0.058 3.737 4.120 -0.735 0.000 0.304 276 V C -0.321 175.780 176.094 0.011 0.000 1.073 276 V CA -0.567 61.740 62.300 0.012 0.000 1.064 276 V CB 1.566 33.394 31.823 0.008 0.000 1.047 276 V HN 0.429 nan 8.190 nan 0.000 0.478 277 Q N 2.928 122.732 119.800 0.006 0.000 2.314 277 Q HA 0.280 4.179 4.340 -0.735 0.000 0.258 277 Q C -0.570 175.434 176.000 0.007 0.000 0.954 277 Q CA -0.079 55.730 55.803 0.010 0.000 0.890 277 Q CB 0.798 29.547 28.738 0.019 0.000 1.210 277 Q HN 0.685 nan 8.270 nan 0.000 0.410 278 D N 3.018 123.423 120.400 0.009 0.000 2.313 278 D HA 0.276 4.475 4.640 -0.735 0.000 0.247 278 D C -2.067 174.252 176.300 0.032 0.000 1.094 278 D CA -1.383 52.622 54.000 0.007 0.000 0.925 278 D CB 0.319 41.116 40.800 -0.006 0.000 1.188 278 D HN 0.197 nan 8.370 nan 0.000 0.430 279 P HA -0.018 nan 4.420 nan 0.000 0.270 279 P C 0.810 178.199 177.300 0.148 0.000 1.223 279 P CA -0.183 62.931 63.100 0.022 0.000 0.785 279 P CB 0.380 32.072 31.700 -0.015 0.000 0.923 280 Y N 0.544 120.823 120.300 -0.035 0.000 2.193 280 Y HA -0.208 3.901 4.550 -0.735 0.000 0.285 280 Y C 2.522 178.400 175.900 -0.037 0.000 1.166 280 Y CA 1.800 59.877 58.100 -0.038 0.000 1.181 280 Y CB -1.866 36.580 38.460 -0.023 0.000 0.976 280 Y HN 0.365 nan 8.280 nan 0.000 0.520 281 S N -0.687 115.101 115.700 0.147 0.000 2.440 281 S HA -0.132 3.897 4.470 -0.735 0.000 0.238 281 S C 1.892 176.517 174.600 0.041 0.000 1.010 281 S CA 1.143 59.391 58.200 0.079 0.000 0.972 281 S CB -0.695 62.542 63.200 0.062 0.000 0.774 281 S HN 0.421 nan 8.310 nan 0.000 0.501 282 L N 0.558 121.796 121.223 0.025 0.000 2.276 282 L HA 0.253 4.152 4.340 -0.735 0.000 0.194 282 L C 2.911 179.706 176.870 -0.126 0.000 1.099 282 L CA 0.914 55.740 54.840 -0.024 0.000 0.800 282 L CB -0.548 41.506 42.059 -0.008 0.000 0.994 282 L HN 0.281 nan 8.230 nan 0.000 0.475 283 R N 0.172 120.610 120.500 -0.104 0.000 2.127 283 R HA -0.148 3.751 4.340 -0.735 0.000 0.238 283 R C 1.548 177.710 176.300 -0.231 0.000 1.134 283 R CA 1.754 57.739 56.100 -0.191 0.000 0.975 283 R CB -0.390 29.869 30.300 -0.067 0.000 0.865 283 R HN 0.373 nan 8.270 nan 0.000 0.447 284 C N 0.695 119.901 119.300 -0.156 0.000 2.778 284 C HA 0.278 4.297 4.460 -0.735 0.000 0.294 284 C C 1.634 176.568 174.990 -0.094 0.000 1.331 284 C CA -0.658 58.267 59.018 -0.154 0.000 1.741 284 C CB -0.444 27.183 27.740 -0.187 0.000 2.106 284 C HN 0.595 nan 8.230 nan 0.000 0.603 285 Q N 1.928 121.652 119.800 -0.128 0.000 2.061 285 Q HA -0.164 3.735 4.340 -0.735 0.000 0.204 285 Q C -0.513 175.501 176.000 0.023 0.000 0.984 285 Q CA 1.845 57.612 55.803 -0.060 0.000 0.846 285 Q CB -0.727 27.893 28.738 -0.198 0.000 0.902 285 Q HN 0.494 nan 8.270 nan 0.000 0.421 286 P HA -0.158 nan 4.420 nan 0.000 0.217 286 P C 0.805 178.139 177.300 0.056 0.000 1.150 286 P CA 1.277 64.405 63.100 0.047 0.000 0.832 286 P CB 0.093 31.696 31.700 -0.161 0.000 0.787 287 Q N -0.887 118.932 119.800 0.032 0.000 2.046 287 Q HA -0.086 3.814 4.340 -0.735 0.000 0.200 287 Q C 2.170 178.198 176.000 0.048 0.000 0.975 287 Q CA 1.348 57.172 55.803 0.036 0.000 0.836 287 Q CB -1.363 27.370 28.738 -0.008 0.000 0.896 287 Q HN 0.076 nan 8.270 nan 0.000 0.428 288 V N -0.023 119.919 119.914 0.047 0.000 2.283 288 V HA -0.202 3.478 4.120 -0.735 0.000 0.243 288 V C 2.035 178.196 176.094 0.112 0.000 1.039 288 V CA 1.390 63.730 62.300 0.066 0.000 1.016 288 V CB -0.436 31.422 31.823 0.058 0.000 0.650 288 V HN 0.418 nan 8.190 nan 0.000 0.449 289 M N 0.522 120.215 119.600 0.154 0.000 2.279 289 M HA -0.085 3.954 4.480 -0.735 0.000 0.264 289 M C 2.227 178.698 176.300 0.285 0.000 1.062 289 M CA 1.879 57.321 55.300 0.236 0.000 1.099 289 M CB -1.677 31.073 32.600 0.250 0.000 1.394 289 M HN 0.473 nan 8.290 nan 0.000 0.426 290 G N -0.262 108.658 108.800 0.200 0.000 2.421 290 G HA2 0.007 3.527 3.960 -0.735 0.000 0.217 290 G HA3 0.007 3.527 3.960 -0.735 0.000 0.217 290 G C 1.680 176.638 174.900 0.096 0.000 1.143 290 G CA 0.932 46.123 45.100 0.151 0.000 0.784 290 G HN 0.528 nan 8.290 nan 0.000 0.541 291 A N 0.203 123.074 122.820 0.086 0.000 1.902 291 A HA -0.077 3.802 4.320 -0.735 0.000 0.217 291 A C 2.572 180.190 177.584 0.056 0.000 1.181 291 A CA 1.762 53.834 52.037 0.058 0.000 0.623 291 A CB -1.004 18.026 19.000 0.051 0.000 0.818 291 A HN 0.412 nan 8.150 nan 0.000 0.443 292 C N -1.248 118.105 119.300 0.089 0.000 2.429 292 C HA -0.084 3.935 4.460 -0.735 0.000 0.277 292 C C 2.506 177.514 174.990 0.031 0.000 1.262 292 C CA 1.083 60.155 59.018 0.090 0.000 1.733 292 C CB -1.480 26.356 27.740 0.161 0.000 2.010 292 C HN 0.668 nan 8.230 nan 0.000 0.483 293 L N 1.177 122.399 121.223 -0.002 0.000 2.012 293 L HA -0.158 3.742 4.340 -0.735 0.000 0.210 293 L C 2.522 179.324 176.870 -0.114 0.000 1.073 293 L CA 2.283 57.006 54.840 -0.195 0.000 0.748 293 L CB -1.349 40.574 42.059 -0.226 0.000 0.891 293 L HN 0.301 nan 8.230 nan 0.000 0.431 294 T N -0.860 113.668 114.554 -0.045 0.000 2.708 294 T HA -0.186 3.723 4.350 -0.735 0.000 0.266 294 T C 1.845 176.530 174.700 -0.025 0.000 1.037 294 T CA 1.382 63.465 62.100 -0.029 0.000 1.146 294 T CB -0.168 68.698 68.868 -0.004 0.000 0.865 294 T HN 0.355 nan 8.240 nan 0.000 0.435 295 Q N 0.858 120.651 119.800 -0.012 0.000 2.077 295 Q HA -0.119 3.780 4.340 -0.735 0.000 0.206 295 Q C 2.536 178.524 176.000 -0.019 0.000 0.989 295 Q CA 1.350 57.148 55.803 -0.008 0.000 0.853 295 Q CB -0.741 28.002 28.738 0.008 0.000 0.907 295 Q HN 0.632 nan 8.270 nan 0.000 0.418 296 L N -1.569 119.634 121.223 -0.032 0.000 2.217 296 L HA 0.023 3.922 4.340 -0.735 0.000 0.211 296 L C 2.137 178.977 176.870 -0.050 0.000 1.107 296 L CA 1.356 56.172 54.840 -0.040 0.000 0.783 296 L CB -0.446 41.586 42.059 -0.046 0.000 0.919 296 L HN -0.093 nan 8.230 nan 0.000 0.442 297 R N -0.072 120.392 120.500 -0.060 0.000 2.075 297 R HA -0.063 3.836 4.340 -0.735 0.000 0.232 297 R C 2.398 178.678 176.300 -0.033 0.000 1.126 297 R CA 1.737 57.807 56.100 -0.050 0.000 0.963 297 R CB -0.423 29.844 30.300 -0.055 0.000 0.858 297 R HN 0.567 nan 8.270 nan 0.000 0.435 298 Q N -0.038 119.746 119.800 -0.027 0.000 2.096 298 Q HA -0.170 3.729 4.340 -0.735 0.000 0.204 298 Q C 2.190 178.177 176.000 -0.021 0.000 0.982 298 Q CA 1.745 57.536 55.803 -0.020 0.000 0.850 298 Q CB -0.193 28.536 28.738 -0.015 0.000 0.901 298 Q HN 0.366 nan 8.270 nan 0.000 0.422 299 A N 1.102 123.907 122.820 -0.025 0.000 1.898 299 A HA -0.074 3.805 4.320 -0.735 0.000 0.216 299 A C 2.334 179.895 177.584 -0.038 0.000 1.181 299 A CA 1.456 53.474 52.037 -0.030 0.000 0.620 299 A CB -0.773 18.207 19.000 -0.033 0.000 0.819 299 A HN 0.395 nan 8.150 nan 0.000 0.442 300 A N -0.323 122.475 122.820 -0.038 0.000 1.908 300 A HA -0.223 3.656 4.320 -0.735 0.000 0.218 300 A C 2.015 179.585 177.584 -0.023 0.000 1.181 300 A CA 1.898 53.915 52.037 -0.034 0.000 0.627 300 A CB -0.580 18.409 19.000 -0.019 0.000 0.818 300 A HN 0.667 nan 8.150 nan 0.000 0.445 301 E N -0.387 119.802 120.200 -0.019 0.000 2.058 301 E HA -0.154 3.756 4.350 -0.735 0.000 0.194 301 E C 1.950 178.542 176.600 -0.014 0.000 0.997 301 E CA 1.594 57.986 56.400 -0.013 0.000 0.801 301 E CB -0.141 29.551 29.700 -0.013 0.000 0.746 301 E HN 0.342 nan 8.360 nan 0.000 0.450 302 V N 1.190 121.093 119.914 -0.018 0.000 2.295 302 V HA -0.264 3.415 4.120 -0.735 0.000 0.246 302 V C 2.394 178.475 176.094 -0.021 0.000 1.049 302 V CA 1.545 63.835 62.300 -0.017 0.000 1.024 302 V CB -0.405 31.408 31.823 -0.017 0.000 0.648 302 V HN 0.333 nan 8.190 nan 0.000 0.447 303 L N 0.242 121.445 121.223 -0.033 0.000 2.156 303 L HA -0.006 3.893 4.340 -0.735 0.000 0.208 303 L C 2.609 179.461 176.870 -0.029 0.000 1.095 303 L CA 1.457 56.270 54.840 -0.044 0.000 0.770 303 L CB -1.087 40.921 42.059 -0.084 0.000 0.914 303 L HN 0.464 nan 8.230 nan 0.000 0.439 304 G N 0.358 109.148 108.800 -0.016 0.000 2.408 304 G HA2 -0.171 3.348 3.960 -0.735 0.000 0.217 304 G HA3 -0.171 3.348 3.960 -0.735 0.000 0.217 304 G C 1.614 176.516 174.900 0.005 0.000 1.150 304 G CA 0.435 45.537 45.100 0.004 0.000 0.776 304 G HN 0.236 nan 8.290 nan 0.000 0.542 305 I N 0.235 120.804 120.570 -0.002 0.000 2.202 305 I HA -0.116 3.613 4.170 -0.735 0.000 0.242 305 I C 2.678 178.793 176.117 -0.003 0.000 1.091 305 I CA 1.347 62.646 61.300 -0.002 0.000 1.368 305 I CB -0.102 37.894 38.000 -0.006 0.000 1.058 305 I HN 0.141 nan 8.210 nan 0.000 0.410 306 E N 1.264 121.459 120.200 -0.008 0.000 2.153 306 E HA -0.203 3.706 4.350 -0.735 0.000 0.194 306 E C 2.080 178.678 176.600 -0.003 0.000 0.988 306 E CA 1.455 57.850 56.400 -0.008 0.000 0.811 306 E CB -0.173 29.519 29.700 -0.013 0.000 0.746 306 E HN 0.436 nan 8.360 nan 0.000 0.466 307 A N 0.391 123.212 122.820 0.000 0.000 2.024 307 A HA -0.149 3.730 4.320 -0.735 0.000 0.220 307 A C 1.665 179.262 177.584 0.021 0.000 1.164 307 A CA 1.552 53.596 52.037 0.013 0.000 0.643 307 A CB -0.312 18.702 19.000 0.023 0.000 0.806 307 A HN 0.215 nan 8.150 nan 0.000 0.451 308 N N -0.414 118.296 118.700 0.017 0.000 2.230 308 N HA 0.262 4.562 4.740 -0.735 0.000 0.202 308 N C 0.371 175.889 175.510 0.013 0.000 1.119 308 N CA 0.631 53.694 53.050 0.022 0.000 0.851 308 N CB 0.220 38.721 38.487 0.024 0.000 0.990 308 N HN 0.442 nan 8.380 nan 0.000 0.497 309 A N 0.595 123.416 122.820 0.002 0.000 2.425 309 A HA 0.276 4.156 4.320 -0.735 0.000 0.242 309 A C 0.473 178.050 177.584 -0.013 0.000 1.077 309 A CA -0.178 51.851 52.037 -0.014 0.000 0.781 309 A CB 0.525 19.516 19.000 -0.015 0.000 1.020 309 A HN -0.003 nan 8.150 nan 0.000 0.494 310 V N 2.799 122.683 119.914 -0.049 0.000 2.356 310 V HA 0.169 3.848 4.120 -0.735 0.000 0.258 310 V C 1.070 177.144 176.094 -0.032 0.000 1.065 310 V CA 0.862 63.135 62.300 -0.045 0.000 0.935 310 V CB 0.125 31.858 31.823 -0.149 0.000 1.061 310 V HN 1.021 nan 8.190 nan 0.000 0.484 311 S N 1.319 117.015 115.700 -0.007 0.000 2.554 311 S HA 0.120 4.149 4.470 -0.735 0.000 0.226 311 S C 0.443 175.045 174.600 0.004 0.000 0.980 311 S CA -0.583 57.617 58.200 -0.001 0.000 0.939 311 S CB -0.112 63.089 63.200 0.001 0.000 0.832 311 S HN 0.815 nan 8.310 nan 0.000 0.486 312 D N 1.582 121.984 120.400 0.002 0.000 2.469 312 D HA 0.416 4.615 4.640 -0.735 0.000 0.278 312 D C -0.300 175.998 176.300 -0.004 0.000 1.231 312 D CA -0.538 53.462 54.000 -0.001 0.000 1.075 312 D CB 0.148 40.946 40.800 -0.005 0.000 1.121 312 D HN 0.218 nan 8.370 nan 0.000 0.571 313 N N -1.443 117.249 118.700 -0.014 0.000 2.928 313 N HA 0.278 4.578 4.740 -0.735 0.000 0.247 313 N C -2.983 172.495 175.510 -0.053 0.000 1.141 313 N CA -0.974 52.068 53.050 -0.013 0.000 0.977 313 N CB 2.136 40.641 38.487 0.031 0.000 1.663 313 N HN 0.083 nan 8.380 nan 0.000 0.509 314 P HA 0.287 nan 4.420 nan 0.000 0.276 314 P C -0.784 176.459 177.300 -0.095 0.000 1.252 314 P CA -0.341 62.731 63.100 -0.046 0.000 0.802 314 P CB 1.044 32.717 31.700 -0.045 0.000 1.035 315 L N 0.667 121.804 121.223 -0.144 0.000 2.307 315 L HA 0.361 4.260 4.340 -0.735 0.000 0.282 315 L C 0.091 176.627 176.870 -0.556 0.000 1.051 315 L CA -1.144 53.492 54.840 -0.342 0.000 0.804 315 L CB 1.500 43.304 42.059 -0.425 0.000 1.197 315 L HN 0.070 nan 8.230 nan 0.000 0.431 316 V N 3.424 123.068 119.914 -0.450 0.000 2.364 316 V HA 0.227 3.906 4.120 -0.735 0.000 0.272 316 V C -0.448 175.412 176.094 -0.391 0.000 1.036 316 V CA -0.181 61.918 62.300 -0.335 0.000 0.880 316 V CB 0.830 32.556 31.823 -0.162 0.000 0.991 316 V HN 0.387 nan 8.190 nan 0.000 0.460 317 F N 3.752 123.760 119.950 0.096 0.000 2.344 317 F HA 0.502 4.588 4.527 -0.735 0.000 0.344 317 F C 1.383 177.192 175.800 0.016 0.000 1.140 317 F CA -0.599 57.457 58.000 0.095 0.000 1.256 317 F CB 0.572 39.649 39.000 0.128 0.000 1.573 317 F HN 0.583 nan 8.300 nan 0.000 0.547 318 A N 1.789 124.648 122.820 0.065 0.000 1.958 318 A HA -0.208 3.672 4.320 -0.735 0.000 0.221 318 A C 2.456 180.066 177.584 0.044 0.000 1.178 318 A CA 2.192 54.239 52.037 0.017 0.000 0.642 318 A CB -0.737 18.231 19.000 -0.055 0.000 0.816 318 A HN 0.634 nan 8.150 nan 0.000 0.453 319 A N -0.804 122.055 122.820 0.065 0.000 1.933 319 A HA -0.117 3.762 4.320 -0.735 0.000 0.218 319 A C 1.861 179.480 177.584 0.058 0.000 1.175 319 A CA 1.992 54.060 52.037 0.052 0.000 0.628 319 A CB -0.313 18.722 19.000 0.057 0.000 0.814 319 A HN 0.526 nan 8.150 nan 0.000 0.444 320 E N -2.209 118.047 120.200 0.093 0.000 2.460 320 E HA 0.335 4.244 4.350 -0.735 0.000 0.200 320 E C 1.122 177.769 176.600 0.078 0.000 1.011 320 E CA 0.699 57.144 56.400 0.075 0.000 0.912 320 E CB 0.281 30.024 29.700 0.071 0.000 0.953 320 E HN 0.729 nan 8.360 nan 0.000 0.494 321 G N 0.984 109.839 108.800 0.091 0.000 2.136 321 G HA2 -0.223 3.296 3.960 -0.735 0.000 0.242 321 G HA3 -0.223 3.296 3.960 -0.735 0.000 0.242 321 G C -0.446 174.509 174.900 0.091 0.000 0.989 321 G CA 0.122 45.264 45.100 0.070 0.000 0.682 321 G HN 0.187 nan 8.290 nan 0.000 0.522 322 D N -0.162 120.331 120.400 0.155 0.000 2.210 322 D HA 0.545 4.744 4.640 -0.735 0.000 0.249 322 D C 0.013 176.423 176.300 0.183 0.000 1.062 322 D CA -0.055 54.065 54.000 0.200 0.000 0.891 322 D CB 2.100 43.085 40.800 0.308 0.000 1.186 322 D HN 0.050 nan 8.370 nan 0.000 0.432 323 V N 4.268 124.259 119.914 0.129 0.000 2.444 323 V HA 0.428 4.107 4.120 -0.735 0.000 0.294 323 V C 0.107 176.275 176.094 0.124 0.000 1.022 323 V CA -0.628 61.705 62.300 0.056 0.000 0.850 323 V CB 1.615 33.447 31.823 0.015 0.000 0.992 323 V HN 0.367 nan 8.190 nan 0.000 0.426 324 I N 3.171 123.814 120.570 0.123 0.000 2.545 324 I HA 0.406 4.135 4.170 -0.735 0.000 0.292 324 I C -0.085 176.131 176.117 0.165 0.000 1.040 324 I CA -0.445 60.983 61.300 0.212 0.000 1.068 324 I CB 2.299 40.532 38.000 0.388 0.000 1.251 324 I HN 0.550 nan 8.210 nan 0.000 0.424 325 S N 3.876 119.695 115.700 0.198 0.000 2.422 325 S HA 0.724 4.753 4.470 -0.735 0.000 0.298 325 S C -0.028 174.670 174.600 0.163 0.000 1.118 325 S CA -0.329 58.002 58.200 0.220 0.000 1.083 325 S CB 0.633 64.084 63.200 0.418 0.000 0.971 325 S HN 0.871 nan 8.310 nan 0.000 0.478 326 G N 2.270 111.150 108.800 0.134 0.000 3.209 326 G HA2 0.607 4.127 3.960 -0.735 0.000 0.236 326 G HA3 0.607 4.127 3.960 -0.735 0.000 0.236 326 G C 0.236 175.192 174.900 0.095 0.000 1.329 326 G CA -0.400 44.764 45.100 0.106 0.000 1.015 326 G HN 0.870 nan 8.290 nan 0.000 0.571 327 G N -0.458 108.390 108.800 0.080 0.000 4.044 327 G HA2 0.183 3.702 3.960 -0.735 0.000 0.297 327 G HA3 0.183 3.702 3.960 -0.735 0.000 0.297 327 G C 0.502 175.459 174.900 0.095 0.000 1.101 327 G CA -0.207 44.949 45.100 0.094 0.000 0.884 327 G HN 0.310 nan 8.290 nan 0.000 0.538 328 N N 0.945 119.687 118.700 0.069 0.000 2.520 328 N HA -0.052 4.247 4.740 -0.735 0.000 0.185 328 N C 2.246 177.793 175.510 0.062 0.000 1.068 328 N CA 0.890 53.972 53.050 0.054 0.000 0.911 328 N CB 0.138 38.641 38.487 0.026 0.000 0.961 328 N HN 0.351 nan 8.380 nan 0.000 0.446 329 G N -0.931 107.910 108.800 0.068 0.000 2.598 329 G HA2 -0.174 3.345 3.960 -0.735 0.000 0.215 329 G HA3 -0.174 3.345 3.960 -0.735 0.000 0.215 329 G C 0.460 175.395 174.900 0.058 0.000 1.131 329 G CA 0.079 45.206 45.100 0.046 0.000 0.785 329 G HN 0.350 nan 8.290 nan 0.000 0.539 330 H N 1.131 120.211 119.070 0.017 0.000 3.015 330 H HA 0.421 4.536 4.556 -0.735 0.000 0.268 330 H C 0.608 175.945 175.328 0.016 0.000 1.113 330 H CA -0.089 55.975 56.048 0.026 0.000 1.479 330 H CB 1.140 30.932 29.762 0.051 0.000 1.493 330 H HN 0.048 nan 8.280 nan 0.000 0.486 331 A N 4.537 127.424 122.820 0.112 0.000 2.579 331 A HA 0.026 3.905 4.320 -0.735 0.000 0.273 331 A C 1.924 179.594 177.584 0.143 0.000 1.363 331 A CA 0.022 52.112 52.037 0.089 0.000 0.953 331 A CB -0.328 18.665 19.000 -0.012 0.000 1.034 331 A HN 0.796 nan 8.150 nan 0.000 0.536 332 E N 1.727 122.126 120.200 0.332 0.000 2.086 332 E HA -0.181 3.729 4.350 -0.735 0.000 0.200 332 E C -0.545 176.114 176.600 0.098 0.000 1.012 332 E CA 2.525 59.063 56.400 0.230 0.000 0.812 332 E CB -0.566 29.247 29.700 0.189 0.000 0.743 332 E HN 0.506 nan 8.360 nan 0.000 0.453 333 P HA -0.132 nan 4.420 nan 0.000 0.216 333 P C 1.460 178.769 177.300 0.016 0.000 1.153 333 P CA 1.170 64.285 63.100 0.026 0.000 0.848 333 P CB -0.018 31.690 31.700 0.013 0.000 0.787 334 V N 1.026 120.949 119.914 0.016 0.000 2.295 334 V HA -0.227 3.452 4.120 -0.735 0.000 0.246 334 V C 2.879 178.973 176.094 -0.001 0.000 1.049 334 V CA 2.211 64.510 62.300 -0.003 0.000 1.024 334 V CB -1.837 29.977 31.823 -0.014 0.000 0.648 334 V HN 0.102 nan 8.190 nan 0.000 0.447 335 A N -0.378 122.450 122.820 0.014 0.000 1.908 335 A HA -0.262 3.617 4.320 -0.735 0.000 0.218 335 A C 2.257 179.852 177.584 0.019 0.000 1.181 335 A CA 2.424 54.470 52.037 0.016 0.000 0.627 335 A CB -0.509 18.513 19.000 0.036 0.000 0.818 335 A HN 0.508 nan 8.150 nan 0.000 0.445 336 M N -0.835 118.778 119.600 0.022 0.000 2.254 336 M HA -0.076 3.963 4.480 -0.735 0.000 0.265 336 M C 2.510 178.811 176.300 0.002 0.000 1.066 336 M CA 1.124 56.431 55.300 0.013 0.000 1.123 336 M CB -0.371 32.237 32.600 0.013 0.000 1.388 336 M HN 0.494 nan 8.290 nan 0.000 0.425 337 A N 0.619 123.437 122.820 -0.003 0.000 1.902 337 A HA -0.076 3.803 4.320 -0.735 0.000 0.217 337 A C 2.370 179.945 177.584 -0.015 0.000 1.181 337 A CA 1.964 53.993 52.037 -0.013 0.000 0.623 337 A CB -0.875 18.111 19.000 -0.022 0.000 0.818 337 A HN 0.483 nan 8.150 nan 0.000 0.443 338 A N -0.057 122.755 122.820 -0.014 0.000 1.898 338 A HA -0.166 3.713 4.320 -0.735 0.000 0.216 338 A C 1.758 179.341 177.584 -0.002 0.000 1.181 338 A CA 1.826 53.853 52.037 -0.016 0.000 0.620 338 A CB -0.583 18.401 19.000 -0.028 0.000 0.819 338 A HN 0.445 nan 8.150 nan 0.000 0.442 339 D N 0.228 120.632 120.400 0.006 0.000 2.178 339 D HA -0.122 4.077 4.640 -0.735 0.000 0.201 339 D C 1.530 177.833 176.300 0.005 0.000 0.980 339 D CA 1.071 55.078 54.000 0.011 0.000 0.842 339 D CB -0.340 40.462 40.800 0.004 0.000 0.948 339 D HN 0.372 nan 8.370 nan 0.000 0.472 340 N N 0.378 119.079 118.700 0.001 0.000 2.142 340 N HA -0.057 4.242 4.740 -0.735 0.000 0.186 340 N C 2.062 177.577 175.510 0.008 0.000 1.023 340 N CA 0.323 53.373 53.050 0.001 0.000 0.852 340 N CB -0.392 38.093 38.487 -0.004 0.000 0.998 340 N HN 0.247 nan 8.380 nan 0.000 0.424 341 L N 0.683 121.910 121.223 0.007 0.000 2.083 341 L HA -0.103 3.796 4.340 -0.735 0.000 0.209 341 L C 2.348 179.239 176.870 0.036 0.000 1.083 341 L CA 0.939 55.790 54.840 0.018 0.000 0.752 341 L CB -0.488 41.578 42.059 0.011 0.000 0.899 341 L HN 0.113 nan 8.230 nan 0.000 0.433 342 A N 0.421 123.260 122.820 0.032 0.000 1.917 342 A HA -0.212 3.668 4.320 -0.735 0.000 0.219 342 A C 2.226 179.837 177.584 0.044 0.000 1.182 342 A CA 1.650 53.712 52.037 0.042 0.000 0.633 342 A CB -0.730 18.293 19.000 0.038 0.000 0.819 342 A HN 0.397 nan 8.150 nan 0.000 0.448 343 L N -1.022 120.222 121.223 0.034 0.000 2.046 343 L HA -0.194 3.705 4.340 -0.735 0.000 0.208 343 L C 3.114 180.013 176.870 0.049 0.000 1.077 343 L CA 1.141 56.003 54.840 0.036 0.000 0.747 343 L CB -0.839 41.235 42.059 0.026 0.000 0.896 343 L HN 0.441 nan 8.230 nan 0.000 0.432 344 A N 0.700 123.550 122.820 0.051 0.000 1.858 344 A HA -0.186 3.693 4.320 -0.735 0.000 0.216 344 A C 2.233 179.867 177.584 0.084 0.000 1.190 344 A CA 1.677 53.755 52.037 0.068 0.000 0.617 344 A CB -0.726 18.312 19.000 0.062 0.000 0.827 344 A HN 0.339 nan 8.150 nan 0.000 0.443 345 I N -0.262 120.358 120.570 0.082 0.000 2.226 345 I HA -0.284 3.445 4.170 -0.735 0.000 0.245 345 I C 2.957 179.122 176.117 0.080 0.000 1.100 345 I CA 1.037 62.393 61.300 0.092 0.000 1.374 345 I CB -0.335 37.726 38.000 0.101 0.000 1.057 345 I HN 0.373 nan 8.210 nan 0.000 0.413 346 A N 0.243 123.105 122.820 0.070 0.000 1.902 346 A HA -0.180 3.700 4.320 -0.735 0.000 0.217 346 A C 2.239 179.861 177.584 0.063 0.000 1.181 346 A CA 1.488 53.563 52.037 0.062 0.000 0.623 346 A CB -0.356 18.677 19.000 0.055 0.000 0.818 346 A HN 0.315 nan 8.150 nan 0.000 0.443 347 E N -0.300 119.940 120.200 0.067 0.000 2.216 347 E HA -0.011 3.898 4.350 -0.735 0.000 0.192 347 E C 1.900 178.546 176.600 0.077 0.000 0.988 347 E CA 0.462 56.903 56.400 0.068 0.000 0.834 347 E CB -0.267 29.473 29.700 0.066 0.000 0.772 347 E HN 0.726 nan 8.360 nan 0.000 0.479 348 I N 0.589 121.211 120.570 0.087 0.000 2.226 348 I HA -0.192 3.537 4.170 -0.735 0.000 0.245 348 I C 2.405 178.564 176.117 0.070 0.000 1.100 348 I CA 1.384 62.736 61.300 0.087 0.000 1.374 348 I CB -0.368 37.693 38.000 0.101 0.000 1.057 348 I HN 0.101 nan 8.210 nan 0.000 0.413 349 G N -0.612 108.228 108.800 0.067 0.000 2.402 349 G HA2 -0.264 3.255 3.960 -0.735 0.000 0.216 349 G HA3 -0.264 3.255 3.960 -0.735 0.000 0.216 349 G C 1.758 176.693 174.900 0.059 0.000 1.162 349 G CA 0.917 46.053 45.100 0.060 0.000 0.777 349 G HN 0.390 nan 8.290 nan 0.000 0.539 350 S N -0.088 115.647 115.700 0.058 0.000 2.370 350 S HA -0.105 3.924 4.470 -0.735 0.000 0.226 350 S C 2.355 176.989 174.600 0.058 0.000 1.033 350 S CA 1.455 59.688 58.200 0.055 0.000 1.011 350 S CB -0.280 62.953 63.200 0.054 0.000 0.852 350 S HN 0.168 nan 8.310 nan 0.000 0.457 351 L N 1.471 122.732 121.223 0.064 0.000 2.056 351 L HA 0.045 3.944 4.340 -0.735 0.000 0.207 351 L C 2.693 179.602 176.870 0.065 0.000 1.078 351 L CA 2.160 57.040 54.840 0.067 0.000 0.749 351 L CB -1.151 40.952 42.059 0.074 0.000 0.901 351 L HN 0.436 nan 8.230 nan 0.000 0.433 352 S N -1.016 114.723 115.700 0.065 0.000 2.370 352 S HA -0.247 3.783 4.470 -0.735 0.000 0.226 352 S C 2.096 176.734 174.600 0.064 0.000 1.033 352 S CA 1.481 59.720 58.200 0.065 0.000 1.011 352 S CB -0.464 62.773 63.200 0.062 0.000 0.852 352 S HN 0.566 nan 8.310 nan 0.000 0.457 353 E N 0.718 120.953 120.200 0.059 0.000 2.118 353 E HA -0.154 3.755 4.350 -0.735 0.000 0.195 353 E C 2.134 178.764 176.600 0.050 0.000 0.992 353 E CA 0.867 57.301 56.400 0.055 0.000 0.804 353 E CB -0.138 29.592 29.700 0.050 0.000 0.741 353 E HN 0.348 nan 8.360 nan 0.000 0.458 354 R N 0.222 120.752 120.500 0.049 0.000 2.148 354 R HA 0.024 3.923 4.340 -0.735 0.000 0.223 354 R C 2.400 178.724 176.300 0.039 0.000 1.088 354 R CA 0.529 56.654 56.100 0.042 0.000 0.985 354 R CB -0.407 29.920 30.300 0.045 0.000 0.880 354 R HN 0.210 nan 8.270 nan 0.000 0.451 355 R N 0.224 120.752 120.500 0.047 0.000 2.075 355 R HA 0.001 3.900 4.340 -0.735 0.000 0.232 355 R C 2.368 178.689 176.300 0.035 0.000 1.126 355 R CA 1.142 57.267 56.100 0.043 0.000 0.963 355 R CB -0.376 29.958 30.300 0.056 0.000 0.858 355 R HN 0.159 nan 8.270 nan 0.000 0.435 356 I N 0.107 120.706 120.570 0.047 0.000 2.208 356 I HA -0.308 3.421 4.170 -0.735 0.000 0.245 356 I C 2.590 178.727 176.117 0.034 0.000 1.097 356 I CA 1.249 62.578 61.300 0.048 0.000 1.363 356 I CB -0.345 37.700 38.000 0.074 0.000 1.051 356 I HN 0.132 nan 8.210 nan 0.000 0.413 357 S N 0.732 116.453 115.700 0.035 0.000 2.402 357 S HA -0.140 3.890 4.470 -0.735 0.000 0.229 357 S C 2.058 176.658 174.600 0.001 0.000 1.021 357 S CA 1.031 59.248 58.200 0.029 0.000 0.974 357 S CB -0.307 62.911 63.200 0.031 0.000 0.800 357 S HN 0.402 nan 8.310 nan 0.000 0.484 358 L N 0.723 121.945 121.223 -0.002 0.000 2.017 358 L HA -0.053 3.846 4.340 -0.735 0.000 0.208 358 L C 2.404 179.246 176.870 -0.046 0.000 1.073 358 L CA 1.610 56.438 54.840 -0.020 0.000 0.745 358 L CB -0.283 41.771 42.059 -0.007 0.000 0.894 358 L HN 0.402 nan 8.230 nan 0.000 0.432 359 M N -1.192 118.381 119.600 -0.045 0.000 2.446 359 M HA -0.190 3.849 4.480 -0.735 0.000 0.263 359 M C 1.789 178.020 176.300 -0.115 0.000 1.066 359 M CA 1.106 56.358 55.300 -0.079 0.000 1.087 359 M CB -0.105 32.447 32.600 -0.080 0.000 1.406 359 M HN 0.350 nan 8.290 nan 0.000 0.459 360 M N -0.817 118.726 119.600 -0.095 0.000 2.476 360 M HA 0.056 4.095 4.480 -0.735 0.000 0.262 360 M C 0.230 176.333 176.300 -0.329 0.000 1.111 360 M CA 0.677 55.883 55.300 -0.156 0.000 1.127 360 M CB -0.976 31.628 32.600 0.007 0.000 1.376 360 M HN 0.002 nan 8.290 nan 0.000 0.465 361 D N 1.844 122.114 120.400 -0.218 0.000 2.347 361 D HA 0.130 4.329 4.640 -0.735 0.000 0.235 361 D C 1.040 177.196 176.300 -0.241 0.000 1.149 361 D CA -0.017 53.847 54.000 -0.228 0.000 0.850 361 D CB 1.148 41.884 40.800 -0.105 0.000 1.061 361 D HN 0.238 nan 8.370 nan 0.000 0.487 362 K N 2.706 122.887 120.400 -0.365 0.000 2.152 362 K HA -0.215 3.664 4.320 -0.735 0.000 0.206 362 K C 0.892 177.325 176.600 -0.278 0.000 1.048 362 K CA 1.523 57.600 56.287 -0.350 0.000 0.933 362 K CB -0.360 31.876 32.500 -0.440 0.000 0.721 362 K HN 0.511 nan 8.250 nan 0.000 0.447 363 H N -0.901 118.116 119.070 -0.089 0.000 2.555 363 H HA 0.169 4.288 4.556 -0.728 0.000 0.269 363 H C 1.294 176.584 175.328 -0.063 0.000 0.988 363 H CA 0.754 56.762 56.048 -0.066 0.000 1.178 363 H CB 0.274 30.001 29.762 -0.058 0.000 1.373 363 H HN 0.189 nan 8.280 nan 0.000 0.588 364 M N -0.999 118.605 119.600 0.006 0.000 2.564 364 M HA 0.072 4.111 4.480 -0.735 0.000 0.254 364 M C 2.071 178.346 176.300 -0.042 0.000 1.299 364 M CA 0.572 55.863 55.300 -0.014 0.000 1.143 364 M CB 0.099 32.686 32.600 -0.021 0.000 1.427 364 M HN 0.201 nan 8.290 nan 0.000 0.538 365 S N -0.145 115.513 115.700 -0.071 0.000 2.478 365 S HA 0.006 4.035 4.470 -0.735 0.000 0.222 365 S C 0.957 175.510 174.600 -0.078 0.000 1.008 365 S CA 0.136 58.288 58.200 -0.079 0.000 0.928 365 S CB -0.188 62.949 63.200 -0.106 0.000 0.781 365 S HN 0.538 nan 8.310 nan 0.000 0.518 366 Q N 0.336 120.092 119.800 -0.073 0.000 2.461 366 Q HA -0.141 3.759 4.340 -0.735 0.000 0.273 366 Q C -0.938 175.021 176.000 -0.068 0.000 1.163 366 Q CA 0.729 56.493 55.803 -0.066 0.000 0.929 366 Q CB -1.762 26.936 28.738 -0.067 0.000 1.334 366 Q HN 0.642 nan 8.270 nan 0.000 0.499 367 L N -1.132 120.041 121.223 -0.085 0.000 2.303 367 L HA 0.637 4.537 4.340 -0.735 0.000 0.256 367 L C -2.212 174.603 176.870 -0.092 0.000 1.034 367 L CA -2.492 52.301 54.840 -0.077 0.000 0.832 367 L CB 1.502 43.510 42.059 -0.084 0.000 1.403 367 L HN -0.193 nan 8.230 nan 0.000 0.419 368 P HA 0.146 nan 4.420 nan 0.000 0.269 368 P C -2.581 174.652 177.300 -0.113 0.000 1.209 368 P CA -1.060 62.004 63.100 -0.060 0.000 0.776 368 P CB -0.311 31.390 31.700 0.001 0.000 0.876 369 P HA 0.002 nan 4.420 nan 0.000 0.264 369 P C -0.241 176.934 177.300 -0.209 0.000 1.193 369 P CA 0.448 63.328 63.100 -0.366 0.000 0.763 369 P CB -0.264 31.232 31.700 -0.340 0.000 0.810 370 F N 1.301 121.233 119.950 -0.030 0.000 2.973 370 F HA -0.201 3.861 4.527 -0.776 0.000 0.299 370 F C 0.884 176.684 175.800 0.001 0.000 0.737 370 F CA 0.158 58.160 58.000 0.003 0.000 1.151 370 F CB -2.386 36.635 39.000 0.035 0.000 1.440 370 F HN 0.144 nan 8.300 nan 0.000 0.367 371 L N -1.993 119.242 121.223 0.020 0.000 3.865 371 L HA -0.177 3.722 4.340 -0.735 0.000 0.408 371 L C 0.047 176.957 176.870 0.067 0.000 1.209 371 L CA 0.904 55.702 54.840 -0.072 0.000 0.940 371 L CB -1.929 39.886 42.059 -0.406 0.000 1.971 371 L HN 0.501 nan 8.230 nan 0.000 0.899 372 V N -4.200 115.803 119.914 0.148 0.000 3.049 372 V HA 0.792 4.472 4.120 -0.735 0.000 0.309 372 V C 0.262 176.452 176.094 0.160 0.000 1.148 372 V CA -1.164 61.259 62.300 0.205 0.000 0.990 372 V CB 2.415 34.423 31.823 0.309 0.000 1.039 372 V HN 0.216 nan 8.190 nan 0.000 0.430 373 E N 2.025 122.321 120.200 0.160 0.000 2.248 373 E HA 0.567 4.476 4.350 -0.735 0.000 0.272 373 E C -0.693 175.977 176.600 0.116 0.000 1.008 373 E CA -0.592 55.880 56.400 0.120 0.000 0.856 373 E CB 0.631 30.397 29.700 0.109 0.000 1.120 373 E HN 0.826 nan 8.360 nan 0.000 0.397 374 N N 0.772 119.526 118.700 0.089 0.000 2.929 374 N HA -0.118 4.181 4.740 -0.735 0.000 0.246 374 N C 0.595 176.159 175.510 0.089 0.000 1.111 374 N CA 0.708 53.804 53.050 0.078 0.000 0.679 374 N CB -1.642 36.889 38.487 0.073 0.000 1.008 374 N HN 0.837 nan 8.380 nan 0.000 0.559 375 G N -0.082 108.773 108.800 0.092 0.000 2.498 375 G HA2 -0.095 3.424 3.960 -0.735 0.000 0.219 375 G HA3 -0.095 3.424 3.960 -0.735 0.000 0.219 375 G C 1.511 176.466 174.900 0.091 0.000 1.119 375 G CA 1.160 46.325 45.100 0.108 0.000 0.766 375 G HN 0.544 nan 8.290 nan 0.000 0.552 376 G N 0.082 108.923 108.800 0.068 0.000 2.422 376 G HA2 -0.071 3.449 3.960 -0.735 0.000 0.218 376 G HA3 -0.071 3.449 3.960 -0.735 0.000 0.218 376 G C 1.259 176.191 174.900 0.054 0.000 1.146 376 G CA 1.436 46.569 45.100 0.056 0.000 0.769 376 G HN 0.395 nan 8.290 nan 0.000 0.547 377 V N 0.209 120.158 119.914 0.057 0.000 3.432 377 V HA 0.231 3.911 4.120 -0.735 0.000 0.298 377 V C -0.076 176.055 176.094 0.062 0.000 1.464 377 V CA -0.458 61.871 62.300 0.049 0.000 1.046 377 V CB 0.054 31.901 31.823 0.039 0.000 0.887 377 V HN 0.200 nan 8.190 nan 0.000 0.441 378 N N 0.019 118.772 118.700 0.088 0.000 2.321 378 N HA 0.364 4.663 4.740 -0.735 0.000 0.299 378 N C 0.419 176.000 175.510 0.118 0.000 1.048 378 N CA -0.145 52.977 53.050 0.121 0.000 0.836 378 N CB 2.232 40.817 38.487 0.163 0.000 1.269 378 N HN -0.023 nan 8.380 nan 0.000 0.486 379 S N 0.399 116.154 115.700 0.092 0.000 2.486 379 S HA 0.150 4.179 4.470 -0.735 0.000 0.220 379 S C 1.391 175.993 174.600 0.003 0.000 1.011 379 S CA 0.268 58.452 58.200 -0.026 0.000 0.921 379 S CB 0.089 63.227 63.200 -0.104 0.000 0.785 379 S HN 0.928 nan 8.310 nan 0.000 0.517 380 G N 2.127 111.025 108.800 0.163 0.000 2.651 380 G HA2 -0.345 3.175 3.960 -0.735 0.000 0.315 380 G HA3 -0.345 3.175 3.960 -0.735 0.000 0.315 380 G C 0.360 175.207 174.900 -0.088 0.000 1.258 380 G CA 0.734 45.903 45.100 0.116 0.000 1.002 380 G HN 0.410 nan 8.290 nan 0.000 0.551 381 F N 1.362 121.213 119.950 -0.165 0.000 2.804 381 F HA 0.363 4.138 4.527 -1.254 0.000 0.303 381 F C 2.606 178.221 175.800 -0.308 0.000 1.154 381 F CA 1.178 59.019 58.000 -0.266 0.000 1.401 381 F CB -0.130 38.831 39.000 -0.065 0.000 1.106 381 F HN 0.356 nan 8.300 nan 0.000 0.568 382 M N -0.331 119.124 119.600 -0.242 0.000 2.106 382 M HA -0.246 3.793 4.480 -0.735 0.000 0.259 382 M C 1.655 177.765 176.300 -0.317 0.000 1.068 382 M CA 1.843 56.859 55.300 -0.474 0.000 1.100 382 M CB -0.055 31.988 32.600 -0.927 0.000 1.351 382 M HN 0.025 nan 8.290 nan 0.000 0.404 383 I N 0.084 120.442 120.570 -0.353 0.000 2.852 383 I HA -0.014 3.715 4.170 -0.735 0.000 0.264 383 I C 2.641 178.567 176.117 -0.317 0.000 1.179 383 I CA 0.942 62.072 61.300 -0.283 0.000 1.480 383 I CB -2.060 35.794 38.000 -0.243 0.000 1.111 383 I HN 0.263 nan 8.210 nan 0.000 0.441 384 A N 0.650 123.149 122.820 -0.536 0.000 1.940 384 A HA -0.269 3.610 4.320 -0.735 0.000 0.219 384 A C 2.347 179.835 177.584 -0.159 0.000 1.176 384 A CA 1.887 53.644 52.037 -0.466 0.000 0.631 384 A CB -0.732 17.799 19.000 -0.781 0.000 0.814 384 A HN 0.539 nan 8.150 nan 0.000 0.446 385 Q N -0.062 119.687 119.800 -0.084 0.000 2.096 385 Q HA -0.151 3.749 4.340 -0.735 0.000 0.204 385 Q C 1.914 177.908 176.000 -0.009 0.000 0.982 385 Q CA 2.154 57.964 55.803 0.011 0.000 0.850 385 Q CB -0.265 28.517 28.738 0.072 0.000 0.901 385 Q HN 0.409 nan 8.270 nan 0.000 0.422 386 V N 0.740 120.626 119.914 -0.047 0.000 2.343 386 V HA -0.249 3.430 4.120 -0.735 0.000 0.247 386 V C 2.324 178.400 176.094 -0.030 0.000 1.051 386 V CA 2.159 64.437 62.300 -0.036 0.000 1.036 386 V CB -0.914 30.874 31.823 -0.058 0.000 0.654 386 V HN 0.473 nan 8.190 nan 0.000 0.451 387 T N 0.398 114.922 114.554 -0.050 0.000 2.720 387 T HA -0.193 3.716 4.350 -0.735 0.000 0.268 387 T C 2.078 176.776 174.700 -0.002 0.000 1.037 387 T CA 1.687 63.769 62.100 -0.030 0.000 1.144 387 T CB -0.458 68.382 68.868 -0.045 0.000 0.864 387 T HN 0.583 nan 8.240 nan 0.000 0.444 388 A N 1.408 124.232 122.820 0.006 0.000 1.908 388 A HA 0.043 3.922 4.320 -0.735 0.000 0.218 388 A C 2.627 180.228 177.584 0.029 0.000 1.181 388 A CA 2.015 54.070 52.037 0.030 0.000 0.627 388 A CB -1.094 17.934 19.000 0.047 0.000 0.818 388 A HN 0.528 nan 8.150 nan 0.000 0.445 389 A N -0.284 122.549 122.820 0.021 0.000 1.902 389 A HA 0.177 4.057 4.320 -0.735 0.000 0.217 389 A C 2.511 180.107 177.584 0.019 0.000 1.181 389 A CA 2.070 54.120 52.037 0.022 0.000 0.623 389 A CB -0.995 18.016 19.000 0.018 0.000 0.818 389 A HN 1.063 nan 8.150 nan 0.000 0.443 390 A N -0.168 122.659 122.820 0.013 0.000 1.902 390 A HA -0.027 3.852 4.320 -0.735 0.000 0.217 390 A C 2.182 179.778 177.584 0.020 0.000 1.181 390 A CA 1.461 53.507 52.037 0.013 0.000 0.623 390 A CB -0.618 18.387 19.000 0.007 0.000 0.818 390 A HN 0.468 nan 8.150 nan 0.000 0.443 391 L N -0.790 120.447 121.223 0.024 0.000 2.017 391 L HA -0.220 3.679 4.340 -0.735 0.000 0.208 391 L C 3.133 180.024 176.870 0.035 0.000 1.073 391 L CA 1.252 56.110 54.840 0.030 0.000 0.745 391 L CB -0.673 41.407 42.059 0.034 0.000 0.894 391 L HN 0.446 nan 8.230 nan 0.000 0.432 392 A N -0.739 122.103 122.820 0.037 0.000 1.933 392 A HA -0.238 3.641 4.320 -0.735 0.000 0.218 392 A C 2.549 180.155 177.584 0.037 0.000 1.175 392 A CA 2.070 54.131 52.037 0.040 0.000 0.628 392 A CB -0.677 18.348 19.000 0.041 0.000 0.814 392 A HN 0.418 nan 8.150 nan 0.000 0.444 393 S N -0.795 114.924 115.700 0.031 0.000 2.383 393 S HA -0.167 3.862 4.470 -0.735 0.000 0.227 393 S C 1.915 176.533 174.600 0.029 0.000 1.026 393 S CA 1.378 59.595 58.200 0.028 0.000 0.981 393 S CB -0.414 62.799 63.200 0.023 0.000 0.818 393 S HN 0.580 nan 8.310 nan 0.000 0.472 394 E N 0.922 121.140 120.200 0.029 0.000 2.130 394 E HA -0.156 3.753 4.350 -0.735 0.000 0.196 394 E C 1.541 178.163 176.600 0.037 0.000 0.998 394 E CA 1.045 57.463 56.400 0.030 0.000 0.806 394 E CB -0.304 29.414 29.700 0.031 0.000 0.738 394 E HN 0.504 nan 8.360 nan 0.000 0.459 395 N N 0.703 119.428 118.700 0.041 0.000 2.453 395 N HA -0.097 4.203 4.740 -0.735 0.000 0.183 395 N C 1.444 176.983 175.510 0.048 0.000 1.041 395 N CA 0.656 53.735 53.050 0.048 0.000 0.900 395 N CB 0.012 38.529 38.487 0.051 0.000 0.961 395 N HN 0.204 nan 8.380 nan 0.000 0.443 396 K N 0.525 120.951 120.400 0.043 0.000 2.001 396 K HA 0.037 3.916 4.320 -0.735 0.000 0.208 396 K C 1.997 178.627 176.600 0.050 0.000 1.048 396 K CA 1.219 57.533 56.287 0.044 0.000 0.932 396 K CB -0.135 32.387 32.500 0.037 0.000 0.715 396 K HN 0.088 nan 8.250 nan 0.000 0.437 397 A N 1.704 124.549 122.820 0.041 0.000 1.898 397 A HA -0.099 3.781 4.320 -0.735 0.000 0.216 397 A C 2.123 179.744 177.584 0.061 0.000 1.181 397 A CA 1.135 53.195 52.037 0.039 0.000 0.620 397 A CB -0.682 18.327 19.000 0.015 0.000 0.819 397 A HN 0.169 nan 8.150 nan 0.000 0.442 398 L N 0.640 121.899 121.223 0.059 0.000 2.353 398 L HA -0.141 3.759 4.340 -0.735 0.000 0.220 398 L C 2.540 179.464 176.870 0.090 0.000 1.133 398 L CA 1.321 56.205 54.840 0.074 0.000 0.798 398 L CB -0.232 41.863 42.059 0.060 0.000 0.922 398 L HN 0.618 nan 8.230 nan 0.000 0.445 399 S N -2.625 113.123 115.700 0.080 0.000 2.575 399 S HA -0.088 3.941 4.470 -0.735 0.000 0.215 399 S C 0.744 175.380 174.600 0.061 0.000 0.966 399 S CA -0.415 57.825 58.200 0.067 0.000 0.911 399 S CB -0.504 62.726 63.200 0.050 0.000 0.780 399 S HN 0.459 nan 8.310 nan 0.000 0.514 400 H N 4.307 123.368 119.070 -0.015 0.000 3.094 400 H HA 0.241 4.356 4.556 -0.735 0.000 0.320 400 H C -2.437 172.843 175.328 -0.081 0.000 1.000 400 H CA -0.671 55.343 56.048 -0.055 0.000 1.413 400 H CB 0.493 30.200 29.762 -0.091 0.000 1.405 400 H HN 0.218 nan 8.280 nan 0.000 0.586 401 P HA 0.012 nan 4.420 nan 0.000 0.271 401 P C 0.027 177.209 177.300 -0.196 0.000 1.216 401 P CA 0.178 63.135 63.100 -0.237 0.000 0.771 401 P CB 0.838 32.388 31.700 -0.250 0.000 0.864 402 H N 0.772 119.822 119.070 -0.033 0.000 2.547 402 H HA -0.020 4.094 4.556 -0.735 0.000 0.272 402 H C 1.813 177.131 175.328 -0.017 0.000 0.971 402 H CA 1.287 57.331 56.048 -0.006 0.000 1.245 402 H CB 0.125 29.878 29.762 -0.015 0.000 1.440 402 H HN 0.485 nan 8.280 nan 0.000 0.540 403 S N 1.276 117.026 115.700 0.083 0.000 2.507 403 S HA -0.079 3.950 4.470 -0.735 0.000 0.235 403 S C 1.933 176.562 174.600 0.048 0.000 0.988 403 S CA 0.906 59.141 58.200 0.059 0.000 0.944 403 S CB -0.885 62.343 63.200 0.047 0.000 0.762 403 S HN 0.265 nan 8.310 nan 0.000 0.526 404 V N -1.797 118.126 119.914 0.015 0.000 3.649 404 V HA 0.354 4.033 4.120 -0.735 0.000 0.275 404 V C 0.177 176.290 176.094 0.031 0.000 1.281 404 V CA 0.094 62.406 62.300 0.021 0.000 1.143 404 V CB -0.706 31.105 31.823 -0.021 0.000 0.892 404 V HN 0.276 nan 8.190 nan 0.000 0.441 405 D N 0.229 120.640 120.400 0.019 0.000 2.272 405 D HA 0.693 4.892 4.640 -0.735 0.000 0.247 405 D C -0.556 175.716 176.300 -0.046 0.000 0.990 405 D CA 0.069 54.073 54.000 0.005 0.000 0.931 405 D CB 2.163 42.971 40.800 0.014 0.000 1.195 405 D HN 0.323 nan 8.370 nan 0.000 0.477 406 S N 1.049 116.713 115.700 -0.061 0.000 2.558 406 S HA 0.577 4.607 4.470 -0.735 0.000 0.277 406 S C -2.083 172.475 174.600 -0.069 0.000 1.143 406 S CA -0.712 57.407 58.200 -0.135 0.000 0.865 406 S CB 0.295 63.304 63.200 -0.317 0.000 1.102 406 S HN 0.386 nan 8.310 nan 0.000 0.454 407 L N 3.338 124.517 121.223 -0.073 0.000 2.408 407 L HA 0.594 4.493 4.340 -0.735 0.000 0.268 407 L C -2.462 174.386 176.870 -0.037 0.000 0.986 407 L CA -2.151 52.665 54.840 -0.039 0.000 0.820 407 L CB 2.531 44.571 42.059 -0.032 0.000 1.303 407 L HN 0.467 nan 8.230 nan 0.000 0.411 408 P HA 0.226 nan 4.420 nan 0.000 0.276 408 P C -0.700 176.591 177.300 -0.015 0.000 1.235 408 P CA -0.302 62.796 63.100 -0.004 0.000 0.772 408 P CB 0.961 32.667 31.700 0.010 0.000 0.871 409 T N -1.867 112.675 114.554 -0.020 0.000 2.927 409 T HA 0.470 4.379 4.350 -0.735 0.000 0.286 409 T C -0.356 174.329 174.700 -0.023 0.000 1.040 409 T CA -0.926 61.157 62.100 -0.029 0.000 1.010 409 T CB 0.195 69.037 68.868 -0.044 0.000 1.177 409 T HN 0.227 nan 8.240 nan 0.000 0.546 410 S N 0.425 116.106 115.700 -0.031 0.000 3.242 410 S HA 0.013 4.043 4.470 -0.735 0.000 0.357 410 S C 1.139 175.729 174.600 -0.016 0.000 0.897 410 S CA 0.567 58.749 58.200 -0.030 0.000 1.349 410 S CB -2.167 61.009 63.200 -0.040 0.000 0.981 410 S HN 2.367 nan 8.310 nan 0.000 0.558 411 A N 1.734 124.547 122.820 -0.012 0.000 2.771 411 A HA -0.340 3.540 4.320 -0.735 0.000 0.294 411 A C 1.118 178.702 177.584 0.000 0.000 1.500 411 A CA 1.376 53.410 52.037 -0.004 0.000 0.829 411 A CB -1.862 17.137 19.000 -0.002 0.000 0.998 411 A HN 1.377 nan 8.150 nan 0.000 0.526 412 N N -2.930 115.771 118.700 0.001 0.000 2.829 412 N HA -0.228 4.071 4.740 -0.735 0.000 0.250 412 N C 0.853 176.371 175.510 0.013 0.000 1.090 412 N CA 1.060 54.115 53.050 0.009 0.000 0.781 412 N CB -0.460 38.033 38.487 0.010 0.000 1.124 412 N HN 0.776 nan 8.380 nan 0.000 0.559 413 Q N 0.726 120.531 119.800 0.008 0.000 2.096 413 Q HA 0.036 3.935 4.340 -0.735 0.000 0.197 413 Q C 0.219 176.233 176.000 0.024 0.000 0.964 413 Q CA 1.156 56.967 55.803 0.013 0.000 0.838 413 Q CB 0.121 28.863 28.738 0.007 0.000 0.906 413 Q HN 0.473 nan 8.270 nan 0.000 0.444 414 E N 2.393 122.602 120.200 0.015 0.000 1.964 414 E HA -0.009 3.901 4.350 -0.735 0.000 0.264 414 E C -0.113 176.505 176.600 0.030 0.000 1.120 414 E CA -0.117 56.296 56.400 0.021 0.000 1.061 414 E CB 0.186 29.881 29.700 -0.008 0.000 1.190 414 E HN 0.280 nan 8.360 nan 0.000 0.459 415 D N 0.324 120.763 120.400 0.064 0.000 2.339 415 D HA -0.083 4.116 4.640 -0.735 0.000 0.217 415 D C 0.310 176.693 176.300 0.137 0.000 1.050 415 D CA 0.275 54.319 54.000 0.074 0.000 0.856 415 D CB 0.290 41.130 40.800 0.066 0.000 0.922 415 D HN 0.287 nan 8.370 nan 0.000 0.518 416 H N 0.035 119.141 119.070 0.059 0.000 2.947 416 H HA 0.437 4.552 4.556 -0.735 0.000 0.354 416 H C -1.306 174.082 175.328 0.100 0.000 1.085 416 H CA -0.669 55.438 56.048 0.098 0.000 1.253 416 H CB 2.302 32.146 29.762 0.137 0.000 1.757 416 H HN -0.073 nan 8.280 nan 0.000 0.523 417 V N 2.072 121.721 119.914 -0.442 0.000 3.158 417 V HA 0.542 4.221 4.120 -0.735 0.000 0.311 417 V C 0.745 176.559 176.094 -0.467 0.000 1.181 417 V CA 0.014 62.039 62.300 -0.459 0.000 1.054 417 V CB 1.518 33.164 31.823 -0.295 0.000 1.085 417 V HN 0.784 nan 8.190 nan 0.000 0.446 418 S N -0.207 115.268 115.700 -0.375 0.000 2.475 418 S HA 0.120 4.149 4.470 -0.735 0.000 0.224 418 S C 1.118 175.679 174.600 -0.065 0.000 1.042 418 S CA 0.753 58.898 58.200 -0.092 0.000 0.935 418 S CB -0.276 62.907 63.200 -0.029 0.000 0.801 418 S HN 1.233 nan 8.310 nan 0.000 0.509 419 M N 0.342 119.882 119.600 -0.101 0.000 2.751 419 M HA -0.196 3.843 4.480 -0.735 0.000 0.199 419 M C 1.160 177.429 176.300 -0.051 0.000 0.550 419 M CA 0.751 56.018 55.300 -0.055 0.000 0.640 419 M CB -2.740 29.866 32.600 0.011 0.000 2.351 419 M HN 0.600 nan 8.290 nan 0.000 0.613 420 A N -0.575 122.206 122.820 -0.065 0.000 1.933 420 A HA -0.031 3.848 4.320 -0.735 0.000 0.218 420 A C -0.223 177.309 177.584 -0.086 0.000 1.175 420 A CA 1.839 53.839 52.037 -0.061 0.000 0.628 420 A CB -1.096 17.872 19.000 -0.054 0.000 0.814 420 A HN 0.446 nan 8.150 nan 0.000 0.444 421 P HA -0.157 nan 4.420 nan 0.000 0.215 421 P C 1.763 179.030 177.300 -0.054 0.000 1.153 421 P CA 1.996 65.065 63.100 -0.052 0.000 0.853 421 P CB -0.087 31.561 31.700 -0.086 0.000 0.788 422 A N -0.127 122.580 122.820 -0.188 0.000 1.902 422 A HA -0.110 3.769 4.320 -0.735 0.000 0.217 422 A C 2.319 179.535 177.584 -0.614 0.000 1.181 422 A CA 2.073 53.848 52.037 -0.437 0.000 0.623 422 A CB -1.620 17.065 19.000 -0.525 0.000 0.818 422 A HN 0.186 nan 8.150 nan 0.000 0.443 423 A N -0.539 122.050 122.820 -0.386 0.000 1.883 423 A HA 0.093 3.972 4.320 -0.735 0.000 0.217 423 A C 2.396 179.863 177.584 -0.196 0.000 1.186 423 A CA 2.056 53.966 52.037 -0.211 0.000 0.624 423 A CB -1.324 17.652 19.000 -0.039 0.000 0.822 423 A HN 0.719 nan 8.150 nan 0.000 0.444 424 G N -0.025 108.675 108.800 -0.167 0.000 2.408 424 G HA2 -0.174 3.345 3.960 -0.735 0.000 0.215 424 G HA3 -0.174 3.345 3.960 -0.735 0.000 0.215 424 G C 1.595 176.190 174.900 -0.507 0.000 1.156 424 G CA 1.072 46.079 45.100 -0.155 0.000 0.793 424 G HN 0.721 nan 8.290 nan 0.000 0.535 425 K N 1.243 121.202 120.400 -0.736 0.000 2.211 425 K HA -0.095 3.785 4.320 -0.735 0.000 0.203 425 K C 2.359 178.248 176.600 -1.185 0.000 1.050 425 K CA 1.253 56.511 56.287 -1.716 0.000 0.945 425 K CB -0.130 31.545 32.500 -1.375 0.000 0.732 425 K HN 0.272 nan 8.250 nan 0.000 0.451 426 R N 1.250 121.394 120.500 -0.594 0.000 2.189 426 R HA 0.029 3.929 4.340 -0.735 0.000 0.218 426 R C 1.953 178.143 176.300 -0.183 0.000 1.074 426 R CA 1.090 57.008 56.100 -0.304 0.000 0.991 426 R CB -1.101 29.116 30.300 -0.138 0.000 0.883 426 R HN 0.221 nan 8.270 nan 0.000 0.457 427 L N -0.500 120.599 121.223 -0.207 0.000 2.127 427 L HA -0.113 3.787 4.340 -0.735 0.000 0.211 427 L C 1.794 178.806 176.870 0.236 0.000 1.089 427 L CA 0.952 55.805 54.840 0.021 0.000 0.757 427 L CB -0.593 41.504 42.059 0.063 0.000 0.899 427 L HN 0.234 nan 8.230 nan 0.000 0.434 428 W N 0.433 121.798 121.300 0.108 0.000 2.358 428 W HA -0.149 4.070 4.660 -0.736 0.000 0.303 428 W C 2.489 179.075 176.519 0.111 0.000 1.208 428 W CA 0.689 58.159 57.345 0.208 0.000 1.274 428 W CB -0.971 28.584 29.460 0.158 0.000 1.138 428 W HN 0.277 nan 8.180 nan 0.000 0.515 429 E N -0.125 120.223 120.200 0.246 0.000 2.076 429 E HA -0.136 3.774 4.350 -0.735 0.000 0.190 429 E C 2.204 178.867 176.600 0.105 0.000 0.979 429 E CA 0.921 57.406 56.400 0.140 0.000 0.807 429 E CB -0.256 29.495 29.700 0.085 0.000 0.761 429 E HN 0.148 nan 8.360 nan 0.000 0.454 430 M N 0.218 119.878 119.600 0.100 0.000 2.144 430 M HA -0.212 3.828 4.480 -0.735 0.000 0.260 430 M C 2.401 178.760 176.300 0.098 0.000 1.067 430 M CA 1.635 56.988 55.300 0.089 0.000 1.095 430 M CB -0.250 32.401 32.600 0.084 0.000 1.365 430 M HN 0.132 nan 8.290 nan 0.000 0.406 431 A N 0.112 123.015 122.820 0.138 0.000 1.930 431 A HA -0.147 3.733 4.320 -0.735 0.000 0.217 431 A C 1.886 179.478 177.584 0.013 0.000 1.175 431 A CA 1.507 53.603 52.037 0.098 0.000 0.627 431 A CB -0.575 18.520 19.000 0.157 0.000 0.815 431 A HN 0.533 nan 8.150 nan 0.000 0.443 432 E N 0.161 120.371 120.200 0.017 0.000 2.077 432 E HA -0.193 3.717 4.350 -0.735 0.000 0.193 432 E C 1.747 178.359 176.600 0.020 0.000 0.989 432 E CA 1.172 57.569 56.400 -0.005 0.000 0.800 432 E CB -0.216 29.494 29.700 0.017 0.000 0.746 432 E HN 0.539 nan 8.360 nan 0.000 0.452 433 N N 0.274 118.998 118.700 0.039 0.000 2.043 433 N HA -0.122 4.178 4.740 -0.735 0.000 0.193 433 N C 1.917 177.452 175.510 0.042 0.000 1.037 433 N CA 1.558 54.632 53.050 0.041 0.000 0.851 433 N CB -0.723 37.792 38.487 0.047 0.000 1.027 433 N HN 0.078 nan 8.380 nan 0.000 0.422 434 T N 0.834 115.416 114.554 0.047 0.000 2.821 434 T HA -0.067 3.842 4.350 -0.735 0.000 0.267 434 T C 1.953 176.677 174.700 0.041 0.000 1.046 434 T CA 0.713 62.843 62.100 0.049 0.000 1.139 434 T CB 0.070 68.974 68.868 0.060 0.000 0.871 434 T HN 0.252 nan 8.240 nan 0.000 0.454 435 R N 0.453 120.968 120.500 0.024 0.000 2.091 435 R HA -0.091 3.808 4.340 -0.735 0.000 0.238 435 R C 2.644 178.970 176.300 0.044 0.000 1.136 435 R CA 1.635 57.744 56.100 0.016 0.000 0.959 435 R CB -0.647 29.638 30.300 -0.025 0.000 0.856 435 R HN 0.436 nan 8.270 nan 0.000 0.437 436 G N -0.150 108.676 108.800 0.043 0.000 2.418 436 G HA2 -0.213 3.306 3.960 -0.735 0.000 0.217 436 G HA3 -0.213 3.306 3.960 -0.735 0.000 0.217 436 G C 1.398 176.342 174.900 0.074 0.000 1.158 436 G CA 0.880 46.014 45.100 0.056 0.000 0.771 436 G HN 0.223 nan 8.290 nan 0.000 0.545 437 V N 0.943 120.896 119.914 0.066 0.000 2.287 437 V HA -0.154 3.526 4.120 -0.735 0.000 0.248 437 V C 2.922 179.075 176.094 0.098 0.000 1.053 437 V CA 1.593 63.938 62.300 0.075 0.000 1.027 437 V CB -0.478 31.382 31.823 0.063 0.000 0.646 437 V HN 0.340 nan 8.190 nan 0.000 0.447 438 L N -0.116 121.160 121.223 0.088 0.000 2.083 438 L HA -0.146 3.753 4.340 -0.735 0.000 0.209 438 L C 2.719 179.698 176.870 0.180 0.000 1.083 438 L CA 1.402 56.300 54.840 0.096 0.000 0.752 438 L CB -0.766 41.316 42.059 0.037 0.000 0.899 438 L HN 0.370 nan 8.230 nan 0.000 0.433 439 A N 0.440 123.378 122.820 0.197 0.000 1.908 439 A HA -0.207 3.672 4.320 -0.735 0.000 0.218 439 A C 2.181 179.934 177.584 0.281 0.000 1.181 439 A CA 1.695 53.910 52.037 0.297 0.000 0.627 439 A CB -0.670 18.456 19.000 0.211 0.000 0.818 439 A HN 0.370 nan 8.150 nan 0.000 0.445 440 I N -0.765 119.932 120.570 0.212 0.000 2.315 440 I HA -0.222 3.507 4.170 -0.735 0.000 0.248 440 I C 2.523 178.799 176.117 0.265 0.000 1.117 440 I CA 1.576 63.017 61.300 0.236 0.000 1.404 440 I CB -0.276 37.825 38.000 0.169 0.000 1.071 440 I HN 0.520 nan 8.210 nan 0.000 0.419 441 E N 0.521 120.850 120.200 0.216 0.000 2.077 441 E HA -0.284 3.625 4.350 -0.735 0.000 0.193 441 E C 2.131 178.889 176.600 0.263 0.000 0.989 441 E CA 1.400 57.915 56.400 0.191 0.000 0.800 441 E CB -0.168 29.615 29.700 0.138 0.000 0.746 441 E HN 0.500 nan 8.360 nan 0.000 0.452 442 W N 1.480 122.825 121.300 0.074 0.000 2.335 442 W HA -0.179 4.048 4.660 -0.723 0.000 0.311 442 W C 1.924 178.499 176.519 0.094 0.000 1.213 442 W CA 1.281 58.664 57.345 0.064 0.000 1.274 442 W CB -0.849 28.642 29.460 0.051 0.000 1.148 442 W HN 0.110 nan 8.180 nan 0.000 0.498 443 L N 0.072 121.445 121.223 0.248 0.000 2.042 443 L HA -0.156 3.744 4.340 -0.735 0.000 0.210 443 L C 2.702 179.728 176.870 0.260 0.000 1.076 443 L CA 1.759 56.728 54.840 0.214 0.000 0.749 443 L CB -1.475 40.787 42.059 0.339 0.000 0.893 443 L HN 0.120 nan 8.230 nan 0.000 0.432 444 G N -0.806 108.108 108.800 0.190 0.000 2.421 444 G HA2 -0.228 3.291 3.960 -0.735 0.000 0.216 444 G HA3 -0.228 3.291 3.960 -0.735 0.000 0.216 444 G C 1.724 176.516 174.900 -0.180 0.000 1.171 444 G CA 0.759 45.695 45.100 -0.275 0.000 0.775 444 G HN 0.473 nan 8.290 nan 0.000 0.543 445 A N -0.268 122.552 122.820 -0.000 0.000 1.929 445 A HA 0.006 3.885 4.320 -0.735 0.000 0.216 445 A C 2.545 180.155 177.584 0.043 0.000 1.176 445 A CA 1.664 53.717 52.037 0.027 0.000 0.628 445 A CB -0.820 18.237 19.000 0.096 0.000 0.816 445 A HN 0.417 nan 8.150 nan 0.000 0.444 446 C N -1.206 118.138 119.300 0.073 0.000 2.446 446 C HA -0.067 3.953 4.460 -0.735 0.000 0.277 446 C C 2.814 177.839 174.990 0.060 0.000 1.275 446 C CA 1.305 60.361 59.018 0.064 0.000 1.727 446 C CB -0.989 26.763 27.740 0.020 0.000 2.010 446 C HN 0.785 nan 8.230 nan 0.000 0.486 447 Q N 1.589 121.404 119.800 0.025 0.000 2.045 447 Q HA -0.093 3.806 4.340 -0.735 0.000 0.206 447 Q C 2.184 178.200 176.000 0.026 0.000 0.991 447 Q CA 2.592 58.410 55.803 0.025 0.000 0.851 447 Q CB -0.867 27.788 28.738 -0.139 0.000 0.911 447 Q HN 0.555 nan 8.270 nan 0.000 0.418 448 G N 0.324 109.084 108.800 -0.068 0.000 2.422 448 G HA2 -0.207 3.312 3.960 -0.735 0.000 0.218 448 G HA3 -0.207 3.312 3.960 -0.735 0.000 0.218 448 G C 1.397 176.300 174.900 0.006 0.000 1.146 448 G CA 0.921 45.991 45.100 -0.050 0.000 0.769 448 G HN 0.380 nan 8.290 nan 0.000 0.547 449 L N 0.337 121.574 121.223 0.023 0.000 2.093 449 L HA -0.053 3.846 4.340 -0.735 0.000 0.208 449 L C 2.484 179.380 176.870 0.043 0.000 1.085 449 L CA 1.022 55.883 54.840 0.034 0.000 0.755 449 L CB -0.341 41.746 42.059 0.046 0.000 0.904 449 L HN 0.077 nan 8.230 nan 0.000 0.435 450 D N 0.157 120.601 120.400 0.074 0.000 2.190 450 D HA -0.177 4.022 4.640 -0.735 0.000 0.200 450 D C 2.213 178.530 176.300 0.028 0.000 0.992 450 D CA 1.218 55.255 54.000 0.061 0.000 0.854 450 D CB -0.111 40.806 40.800 0.195 0.000 0.936 450 D HN 0.296 nan 8.370 nan 0.000 0.462 451 L N 0.020 121.291 121.223 0.080 0.000 2.478 451 L HA 0.035 3.934 4.340 -0.735 0.000 0.223 451 L C 0.764 177.649 176.870 0.024 0.000 1.140 451 L CA 0.402 55.280 54.840 0.064 0.000 0.842 451 L CB -0.027 42.080 42.059 0.080 0.000 0.953 451 L HN -0.174 nan 8.230 nan 0.000 0.452 452 R N 1.644 122.154 120.500 0.017 0.000 3.657 452 R HA 0.128 4.027 4.340 -0.735 0.000 0.220 452 R C -0.381 175.923 176.300 0.007 0.000 1.548 452 R CA -0.565 55.542 56.100 0.012 0.000 1.465 452 R CB -0.005 30.303 30.300 0.014 0.000 1.330 452 R HN -0.055 nan 8.270 nan 0.000 0.707 453 K N 0.914 121.313 120.400 -0.001 0.000 2.477 453 K HA -0.078 3.801 4.320 -0.735 0.000 0.275 453 K C 1.364 177.959 176.600 -0.009 0.000 1.054 453 K CA 0.891 57.169 56.287 -0.015 0.000 1.135 453 K CB -0.123 32.367 32.500 -0.015 0.000 0.854 453 K HN 0.828 nan 8.250 nan 0.000 0.484 454 G N 1.948 110.740 108.800 -0.014 0.000 2.189 454 G HA2 -0.299 3.220 3.960 -0.735 0.000 0.267 454 G HA3 -0.299 3.220 3.960 -0.735 0.000 0.267 454 G C 0.147 175.049 174.900 0.003 0.000 0.975 454 G CA 0.285 45.380 45.100 -0.008 0.000 0.644 454 G HN 0.467 nan 8.290 nan 0.000 0.537 455 L N 0.229 121.458 121.223 0.010 0.000 2.371 455 L HA 0.487 4.386 4.340 -0.735 0.000 0.272 455 L C 0.739 177.623 176.870 0.023 0.000 1.124 455 L CA -0.369 54.483 54.840 0.020 0.000 0.816 455 L CB 0.971 43.047 42.059 0.028 0.000 1.129 455 L HN 0.024 nan 8.230 nan 0.000 0.448 456 K N 1.005 121.420 120.400 0.026 0.000 2.156 456 K HA 0.439 4.318 4.320 -0.735 0.000 0.250 456 K C -0.088 176.533 176.600 0.035 0.000 0.955 456 K CA -0.602 55.701 56.287 0.028 0.000 0.855 456 K CB 2.373 34.887 32.500 0.023 0.000 1.101 456 K HN 0.567 nan 8.250 nan 0.000 0.434 457 T N -0.317 114.259 114.554 0.038 0.000 2.990 457 T HA 0.165 4.074 4.350 -0.735 0.000 0.296 457 T C 0.476 175.195 174.700 0.032 0.000 1.189 457 T CA -0.324 61.800 62.100 0.040 0.000 0.938 457 T CB 0.362 69.258 68.868 0.046 0.000 1.994 457 T HN 0.690 nan 8.240 nan 0.000 0.584 458 S N 0.091 115.807 115.700 0.027 0.000 2.634 458 S HA 0.536 4.565 4.470 -0.735 0.000 0.261 458 S C 1.655 176.263 174.600 0.014 0.000 1.271 458 S CA -0.153 58.057 58.200 0.017 0.000 0.985 458 S CB 0.384 63.588 63.200 0.007 0.000 0.968 458 S HN 0.917 nan 8.310 nan 0.000 0.568 459 A N 1.232 124.057 122.820 0.008 0.000 1.883 459 A HA -0.098 3.781 4.320 -0.735 0.000 0.217 459 A C 2.226 179.813 177.584 0.005 0.000 1.186 459 A CA 1.758 53.799 52.037 0.007 0.000 0.624 459 A CB -0.957 18.045 19.000 0.003 0.000 0.822 459 A HN 0.897 nan 8.150 nan 0.000 0.444 460 K N -0.633 119.764 120.400 -0.006 0.000 2.103 460 K HA 0.073 3.952 4.320 -0.735 0.000 0.204 460 K C 1.812 178.409 176.600 -0.004 0.000 1.052 460 K CA 1.121 57.400 56.287 -0.014 0.000 0.945 460 K CB -0.273 32.205 32.500 -0.037 0.000 0.722 460 K HN 0.469 nan 8.250 nan 0.000 0.443 461 L N 0.899 122.123 121.223 0.002 0.000 2.217 461 L HA -0.122 3.777 4.340 -0.735 0.000 0.211 461 L C 2.156 179.059 176.870 0.055 0.000 1.107 461 L CA 0.735 55.589 54.840 0.024 0.000 0.783 461 L CB -0.249 41.825 42.059 0.025 0.000 0.919 461 L HN 0.151 nan 8.230 nan 0.000 0.442 462 E N 0.751 120.978 120.200 0.044 0.000 2.153 462 E HA -0.194 3.715 4.350 -0.735 0.000 0.194 462 E C 2.090 178.727 176.600 0.063 0.000 0.988 462 E CA 1.064 57.495 56.400 0.052 0.000 0.811 462 E CB -0.004 29.717 29.700 0.036 0.000 0.746 462 E HN 0.484 nan 8.360 nan 0.000 0.466 463 K N 0.609 121.040 120.400 0.052 0.000 2.097 463 K HA -0.052 3.827 4.320 -0.735 0.000 0.205 463 K C 2.151 178.816 176.600 0.108 0.000 1.050 463 K CA 1.083 57.406 56.287 0.060 0.000 0.938 463 K CB -0.110 32.411 32.500 0.036 0.000 0.718 463 K HN 0.031 nan 8.250 nan 0.000 0.442 464 A N 1.675 124.568 122.820 0.121 0.000 1.902 464 A HA -0.191 3.689 4.320 -0.735 0.000 0.217 464 A C 2.046 179.868 177.584 0.396 0.000 1.181 464 A CA 1.378 53.555 52.037 0.233 0.000 0.623 464 A CB -0.385 18.691 19.000 0.127 0.000 0.818 464 A HN 0.200 nan 8.150 nan 0.000 0.443 465 R N -0.758 119.887 120.500 0.242 0.000 2.073 465 R HA -0.174 3.725 4.340 -0.735 0.000 0.234 465 R C 2.510 178.870 176.300 0.100 0.000 1.134 465 R CA 1.818 58.019 56.100 0.167 0.000 0.952 465 R CB -0.384 29.979 30.300 0.104 0.000 0.850 465 R HN 0.679 nan 8.270 nan 0.000 0.433 466 Q N 0.144 120.001 119.800 0.095 0.000 2.061 466 Q HA -0.163 3.736 4.340 -0.735 0.000 0.204 466 Q C 2.250 178.287 176.000 0.062 0.000 0.984 466 Q CA 1.918 57.757 55.803 0.060 0.000 0.846 466 Q CB -0.252 28.519 28.738 0.055 0.000 0.902 466 Q HN 0.393 nan 8.270 nan 0.000 0.421 467 A N 0.848 123.748 122.820 0.134 0.000 1.892 467 A HA -0.215 3.664 4.320 -0.735 0.000 0.218 467 A C 2.023 179.636 177.584 0.048 0.000 1.188 467 A CA 1.263 53.395 52.037 0.158 0.000 0.631 467 A CB -0.833 18.356 19.000 0.314 0.000 0.822 467 A HN 0.425 nan 8.150 nan 0.000 0.447 468 L N -1.237 119.937 121.223 -0.082 0.000 2.027 468 L HA -0.126 3.773 4.340 -0.735 0.000 0.206 468 L C 2.577 179.284 176.870 -0.271 0.000 1.074 468 L CA 1.381 55.922 54.840 -0.497 0.000 0.745 468 L CB -0.407 41.072 42.059 -0.966 0.000 0.898 468 L HN 0.318 nan 8.230 nan 0.000 0.433 469 R N -0.168 120.240 120.500 -0.153 0.000 2.237 469 R HA -0.090 3.809 4.340 -0.735 0.000 0.219 469 R C 2.292 178.550 176.300 -0.069 0.000 1.080 469 R CA 1.196 57.239 56.100 -0.094 0.000 0.995 469 R CB -0.592 29.683 30.300 -0.042 0.000 0.875 469 R HN 0.529 nan 8.270 nan 0.000 0.462 470 S N 0.147 115.812 115.700 -0.058 0.000 2.515 470 S HA -0.034 3.996 4.470 -0.735 0.000 0.231 470 S C 1.299 175.865 174.600 -0.057 0.000 0.987 470 S CA 0.730 58.906 58.200 -0.040 0.000 0.936 470 S CB 0.210 63.400 63.200 -0.016 0.000 0.766 470 S HN 0.203 nan 8.310 nan 0.000 0.528 471 E N 0.041 120.186 120.200 -0.092 0.000 2.421 471 E HA 0.309 4.218 4.350 -0.735 0.000 0.209 471 E C -0.432 176.098 176.600 -0.117 0.000 0.871 471 E CA 0.296 56.638 56.400 -0.097 0.000 1.064 471 E CB 1.362 31.000 29.700 -0.103 0.000 1.075 471 E HN 0.377 nan 8.360 nan 0.000 0.513 472 V N 1.532 121.359 119.914 -0.145 0.000 2.577 472 V HA 0.561 4.240 4.120 -0.735 0.000 0.303 472 V C -0.075 175.952 176.094 -0.113 0.000 1.042 472 V CA -0.967 61.242 62.300 -0.152 0.000 0.872 472 V CB 1.535 33.234 31.823 -0.206 0.000 0.998 472 V HN 0.148 nan 8.190 nan 0.000 0.423 473 A N 2.590 125.359 122.820 -0.085 0.000 2.272 473 A HA 0.560 4.439 4.320 -0.735 0.000 0.275 473 A C 0.085 177.680 177.584 0.018 0.000 1.096 473 A CA -0.209 51.812 52.037 -0.026 0.000 0.822 473 A CB -0.026 18.959 19.000 -0.024 0.000 1.088 473 A HN 1.091 nan 8.150 nan 0.000 0.495 474 H N -0.975 118.088 119.070 -0.012 0.000 3.038 474 H HA 0.040 4.203 4.556 -0.655 0.000 0.338 474 H C -0.869 174.506 175.328 0.079 0.000 1.041 474 H CA 1.197 57.273 56.048 0.046 0.000 1.394 474 H CB 0.003 29.786 29.762 0.034 0.000 1.357 474 H HN 0.506 nan 8.280 nan 0.000 0.600 475 Y N 6.050 126.031 120.300 -0.532 0.000 2.535 475 Y HA 0.085 5.090 4.550 0.758 0.000 0.349 475 Y C 0.495 176.236 175.900 -0.265 0.000 0.992 475 Y CA -0.217 57.700 58.100 -0.305 0.000 1.248 475 Y CB 0.238 38.607 38.460 -0.152 0.000 1.124 475 Y HN 0.804 nan 8.280 nan 0.000 0.520 476 D N 5.159 125.474 120.400 -0.142 0.000 2.129 476 D HA -0.039 4.160 4.640 -0.735 0.000 0.220 476 D C 0.178 176.467 176.300 -0.017 0.000 0.988 476 D CA 0.790 54.799 54.000 0.016 0.000 0.904 476 D CB 0.137 40.952 40.800 0.024 0.000 1.018 476 D HN 0.479 nan 8.370 nan 0.000 0.444 477 R N 1.283 121.696 120.500 -0.144 0.000 2.720 477 R HA 0.336 4.235 4.340 -0.735 0.000 0.272 477 R C -0.554 175.559 176.300 -0.312 0.000 0.991 477 R CA -0.799 55.238 56.100 -0.107 0.000 1.010 477 R CB 0.742 31.008 30.300 -0.058 0.000 1.141 477 R HN -0.070 nan 8.270 nan 0.000 0.494 478 D N 2.009 122.366 120.400 -0.071 0.000 2.525 478 D HA -0.004 4.195 4.640 -0.735 0.000 0.235 478 D C 0.446 176.662 176.300 -0.140 0.000 1.137 478 D CA 0.799 54.805 54.000 0.011 0.000 0.868 478 D CB 0.650 41.551 40.800 0.169 0.000 1.180 478 D HN 0.458 nan 8.370 nan 0.000 0.465 479 R N 0.805 121.223 120.500 -0.137 0.000 2.831 479 R HA 0.419 4.319 4.340 -0.735 0.000 0.266 479 R C -0.653 175.742 176.300 0.158 0.000 1.051 479 R CA -0.945 55.114 56.100 -0.067 0.000 0.943 479 R CB 0.402 30.564 30.300 -0.230 0.000 1.228 479 R HN 0.137 nan 8.270 nan 0.000 0.467 480 F N 2.199 122.136 119.950 -0.021 0.000 2.538 480 F HA 0.127 4.210 4.527 -0.740 0.000 0.382 480 F C 0.177 175.999 175.800 0.036 0.000 1.069 480 F CA -1.060 56.956 58.000 0.028 0.000 1.138 480 F CB -0.036 38.962 39.000 -0.003 0.000 1.068 480 F HN 0.626 nan 8.300 nan 0.000 0.556 481 F N 5.056 125.070 119.950 0.106 0.000 2.179 481 F HA 0.054 3.966 4.527 -1.024 0.000 0.292 481 F C 2.212 177.839 175.800 -0.287 0.000 1.089 481 F CA 1.689 59.642 58.000 -0.078 0.000 1.295 481 F CB -0.565 38.402 39.000 -0.055 0.000 1.041 481 F HN 0.558 nan 8.300 nan 0.000 0.487 482 A N 0.805 123.570 122.820 -0.091 0.000 1.927 482 A HA -0.202 3.677 4.320 -0.735 0.000 0.220 482 A C -0.294 177.085 177.584 -0.342 0.000 1.185 482 A CA 2.174 54.110 52.037 -0.168 0.000 0.639 482 A CB -2.203 16.749 19.000 -0.080 0.000 0.820 482 A HN 0.315 nan 8.150 nan 0.000 0.451 483 P HA -0.127 nan 4.420 nan 0.000 0.218 483 P C 0.416 177.553 177.300 -0.272 0.000 1.148 483 P CA 1.496 64.346 63.100 -0.416 0.000 0.822 483 P CB -0.122 31.291 31.700 -0.478 0.000 0.784 484 D N -0.853 119.364 120.400 -0.304 0.000 2.144 484 D HA -0.100 4.099 4.640 -0.735 0.000 0.200 484 D C 1.985 178.193 176.300 -0.153 0.000 0.978 484 D CA 0.957 54.800 54.000 -0.262 0.000 0.833 484 D CB -0.706 39.846 40.800 -0.414 0.000 0.961 484 D HN 0.213 nan 8.370 nan 0.000 0.470 485 I N 1.040 121.563 120.570 -0.078 0.000 2.202 485 I HA -0.221 3.508 4.170 -0.735 0.000 0.242 485 I C 2.247 178.356 176.117 -0.013 0.000 1.091 485 I CA 1.036 62.341 61.300 0.008 0.000 1.368 485 I CB -0.285 37.753 38.000 0.064 0.000 1.058 485 I HN -0.032 nan 8.210 nan 0.000 0.410 486 E N 1.059 121.230 120.200 -0.048 0.000 2.086 486 E HA -0.290 3.619 4.350 -0.735 0.000 0.200 486 E C 2.183 178.763 176.600 -0.033 0.000 1.012 486 E CA 1.551 57.927 56.400 -0.040 0.000 0.812 486 E CB -0.095 29.567 29.700 -0.065 0.000 0.743 486 E HN 0.456 nan 8.360 nan 0.000 0.453 487 K N 0.050 120.412 120.400 -0.064 0.000 2.062 487 K HA -0.049 3.830 4.320 -0.735 0.000 0.205 487 K C 2.178 178.757 176.600 -0.034 0.000 1.051 487 K CA 0.908 57.158 56.287 -0.062 0.000 0.941 487 K CB -0.064 32.374 32.500 -0.103 0.000 0.719 487 K HN 0.049 nan 8.250 nan 0.000 0.440 488 A N 1.006 123.801 122.820 -0.041 0.000 1.930 488 A HA -0.108 3.771 4.320 -0.735 0.000 0.217 488 A C 2.329 180.026 177.584 0.187 0.000 1.175 488 A CA 1.227 53.283 52.037 0.032 0.000 0.627 488 A CB -0.598 18.418 19.000 0.028 0.000 0.815 488 A HN 0.059 nan 8.150 nan 0.000 0.443 489 V N 0.119 120.097 119.914 0.106 0.000 2.295 489 V HA -0.253 3.426 4.120 -0.735 0.000 0.246 489 V C 2.653 178.792 176.094 0.075 0.000 1.049 489 V CA 2.497 64.852 62.300 0.092 0.000 1.024 489 V CB -0.635 31.215 31.823 0.045 0.000 0.648 489 V HN 0.734 nan 8.190 nan 0.000 0.447 490 E N 0.310 120.541 120.200 0.051 0.000 2.110 490 E HA -0.191 3.718 4.350 -0.735 0.000 0.193 490 E C 2.028 178.669 176.600 0.068 0.000 0.988 490 E CA 1.460 57.881 56.400 0.036 0.000 0.804 490 E CB -0.426 29.282 29.700 0.013 0.000 0.745 490 E HN 0.556 nan 8.360 nan 0.000 0.458 491 L N -0.130 121.170 121.223 0.127 0.000 2.012 491 L HA -0.195 3.704 4.340 -0.735 0.000 0.210 491 L C 2.564 179.548 176.870 0.190 0.000 1.073 491 L CA 1.165 56.127 54.840 0.203 0.000 0.748 491 L CB -0.460 41.814 42.059 0.359 0.000 0.891 491 L HN 0.233 nan 8.230 nan 0.000 0.431 492 L N -0.587 120.759 121.223 0.204 0.000 2.046 492 L HA -0.194 3.705 4.340 -0.735 0.000 0.208 492 L C 2.845 179.722 176.870 0.012 0.000 1.077 492 L CA 1.126 56.000 54.840 0.056 0.000 0.747 492 L CB -0.722 41.369 42.059 0.053 0.000 0.896 492 L HN 0.253 nan 8.230 nan 0.000 0.432 493 A N -0.232 122.597 122.820 0.015 0.000 1.972 493 A HA -0.186 3.693 4.320 -0.735 0.000 0.219 493 A C 2.165 179.749 177.584 0.000 0.000 1.169 493 A CA 1.406 53.431 52.037 -0.020 0.000 0.635 493 A CB -0.282 18.698 19.000 -0.033 0.000 0.810 493 A HN 0.311 nan 8.150 nan 0.000 0.446 494 K N -1.308 119.102 120.400 0.017 0.000 2.444 494 K HA 0.179 4.058 4.320 -0.735 0.000 0.193 494 K C 0.916 177.524 176.600 0.013 0.000 1.024 494 K CA 0.488 56.784 56.287 0.016 0.000 1.077 494 K CB -0.092 32.422 32.500 0.023 0.000 0.833 494 K HN 0.659 nan 8.250 nan 0.000 0.517 495 G N 1.370 110.174 108.800 0.007 0.000 2.147 495 G HA2 -0.280 3.239 3.960 -0.735 0.000 0.244 495 G HA3 -0.280 3.239 3.960 -0.735 0.000 0.244 495 G C 0.799 175.686 174.900 -0.022 0.000 1.005 495 G CA 0.566 45.660 45.100 -0.010 0.000 0.713 495 G HN 0.268 nan 8.290 nan 0.000 0.515 496 S N -0.619 115.079 115.700 -0.004 0.000 2.407 496 S HA -0.086 3.943 4.470 -0.735 0.000 0.235 496 S C 2.117 176.687 174.600 -0.050 0.000 1.036 496 S CA 1.484 59.695 58.200 0.018 0.000 1.013 496 S CB -0.102 63.180 63.200 0.137 0.000 0.820 496 S HN 0.566 nan 8.310 nan 0.000 0.476 497 L N 0.388 121.520 121.223 -0.152 0.000 2.616 497 L HA 0.096 3.996 4.340 -0.735 0.000 0.229 497 L C 2.063 178.847 176.870 -0.144 0.000 1.110 497 L CA 0.348 55.062 54.840 -0.209 0.000 0.884 497 L CB -0.510 41.303 42.059 -0.409 0.000 1.115 497 L HN 0.232 nan 8.230 nan 0.000 0.481 498 T N 0.175 114.671 114.554 -0.097 0.000 2.788 498 T HA -0.141 3.768 4.350 -0.735 0.000 0.268 498 T C 1.890 176.557 174.700 -0.056 0.000 1.044 498 T CA 1.540 63.601 62.100 -0.065 0.000 1.139 498 T CB -0.329 68.519 68.868 -0.033 0.000 0.867 498 T HN 0.530 nan 8.240 nan 0.000 0.454 499 G N 1.050 109.821 108.800 -0.049 0.000 2.498 499 G HA2 -0.057 3.462 3.960 -0.735 0.000 0.219 499 G HA3 -0.057 3.462 3.960 -0.735 0.000 0.219 499 G C 1.396 176.268 174.900 -0.047 0.000 1.119 499 G CA 0.212 45.289 45.100 -0.039 0.000 0.766 499 G HN 0.448 nan 8.290 nan 0.000 0.552 500 L N -0.590 120.593 121.223 -0.066 0.000 2.217 500 L HA 0.154 4.054 4.340 -0.735 0.000 0.211 500 L C 1.248 178.068 176.870 -0.083 0.000 1.107 500 L CA -0.309 54.486 54.840 -0.075 0.000 0.783 500 L CB -0.340 41.660 42.059 -0.099 0.000 0.919 500 L HN 0.160 nan 8.230 nan 0.000 0.442 501 L N 1.289 122.460 121.223 -0.085 0.000 2.453 501 L HA 0.185 4.084 4.340 -0.735 0.000 0.272 501 L C -1.923 174.918 176.870 -0.048 0.000 1.182 501 L CA -1.298 53.495 54.840 -0.079 0.000 0.858 501 L CB 0.073 42.101 42.059 -0.051 0.000 1.120 501 L HN -0.203 nan 8.230 nan 0.000 0.474 502 P HA 0.123 nan 4.420 nan 0.000 0.268 502 P C -0.939 176.352 177.300 -0.016 0.000 1.208 502 P CA -0.248 62.834 63.100 -0.029 0.000 0.777 502 P CB 0.389 32.072 31.700 -0.028 0.000 0.875 503 A N 2.310 125.121 122.820 -0.014 0.000 2.507 503 A HA 0.394 4.273 4.320 -0.735 0.000 0.235 503 A C 1.449 179.029 177.584 -0.007 0.000 1.070 503 A CA 0.539 52.570 52.037 -0.010 0.000 0.768 503 A CB -1.314 17.681 19.000 -0.009 0.000 1.011 503 A HN 0.934 nan 8.150 nan 0.000 0.502 504 G N 0.097 108.892 108.800 -0.008 0.000 2.249 504 G HA2 -0.166 3.353 3.960 -0.735 0.000 0.273 504 G HA3 -0.166 3.353 3.960 -0.735 0.000 0.273 504 G C 0.499 175.392 174.900 -0.011 0.000 1.036 504 G CA 0.521 45.617 45.100 -0.008 0.000 0.824 504 G HN 1.254 nan 8.290 nan 0.000 0.504 505 V N -0.775 119.132 119.914 -0.012 0.000 2.690 505 V HA 0.328 4.008 4.120 -0.735 0.000 0.240 505 V C 1.575 177.632 176.094 -0.061 0.000 1.078 505 V CA 1.115 63.401 62.300 -0.022 0.000 1.102 505 V CB 0.042 31.871 31.823 0.011 0.000 0.800 505 V HN 0.349 nan 8.190 nan 0.000 0.479 506 L N 0.835 122.028 121.223 -0.049 0.000 2.325 506 L HA 0.294 4.193 4.340 -0.735 0.000 0.279 506 L C -1.408 175.444 176.870 -0.030 0.000 1.054 506 L CA -1.561 53.238 54.840 -0.069 0.000 0.804 506 L CB 1.162 43.199 42.059 -0.036 0.000 1.200 506 L HN 0.021 nan 8.230 nan 0.000 0.436 507 P HA -0.213 nan 4.420 nan 0.000 0.216 507 P C 1.083 178.401 177.300 0.030 0.000 1.157 507 P CA 1.403 64.505 63.100 0.002 0.000 0.880 507 P CB 0.193 31.898 31.700 0.010 0.000 0.791 508 S N -3.022 112.712 115.700 0.057 0.000 2.572 508 S HA 0.241 4.270 4.470 -0.735 0.000 0.228 508 S C 0.400 174.993 174.600 -0.012 0.000 0.963 508 S CA -0.321 57.908 58.200 0.049 0.000 0.939 508 S CB -0.798 62.476 63.200 0.123 0.000 0.804 508 S HN -0.073 nan 8.310 nan 0.000 0.480 509 L N 0.000 121.219 121.223 -0.007 0.000 2.949 509 L HA 0.000 3.899 4.340 -0.735 0.000 0.249 509 L CA 0.000 54.829 54.840 -0.019 0.000 0.813 509 L CB 0.000 42.053 42.059 -0.010 0.000 0.961 509 L HN 0.000 nan 8.230 nan 0.000 0.502