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 1gk3_1_A DATA FIRST_RESID 1 DATA SEQUENCE TELTLKPGTL TLAQLRAIHA APVRLQLDAS AAPAIDASVA CVEQIIAEDR DATA SEQUENCE TAYGINTGFG LLASTRIASH DLENLQRSLV LSHAAGIGAP LDDDLVRLIM DATA SEQUENCE VLKINSLSRG FSGIRRKVID ALIALVNAEV YPHIPLKGSV GASGALAPLA 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 GDVISGGNFH 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 0.000 174.706 174.700 0.010 0.000 1.109 1 T CA 0.000 62.103 62.100 0.005 0.000 1.349 1 T CB 0.000 68.869 68.868 0.002 0.000 0.612 2 E N 4.525 124.730 120.200 0.009 0.000 2.229 2 E HA 0.618 4.781 4.350 -0.311 0.000 0.283 2 E C -0.619 175.988 176.600 0.011 0.000 1.030 2 E CA -0.764 55.642 56.400 0.011 0.000 0.836 2 E CB 1.008 30.713 29.700 0.009 0.000 1.068 2 E HN 0.608 nan 8.360 nan 0.000 0.401 3 L N 3.481 124.713 121.223 0.015 0.000 2.346 3 L HA 0.589 4.743 4.340 -0.311 0.000 0.276 3 L C -0.940 175.939 176.870 0.016 0.000 1.006 3 L CA -0.193 54.656 54.840 0.016 0.000 0.817 3 L CB 2.413 44.484 42.059 0.020 0.000 1.272 3 L HN 0.580 nan 8.230 nan 0.000 0.421 4 T N 6.171 120.734 114.554 0.015 0.000 3.029 4 T HA 0.365 4.528 4.350 -0.311 0.000 0.346 4 T C -0.435 174.276 174.700 0.018 0.000 1.211 4 T CA -0.176 61.933 62.100 0.015 0.000 1.009 4 T CB 0.103 68.978 68.868 0.012 0.000 1.084 4 T HN 0.520 nan 8.240 nan 0.000 0.536 5 L N 4.026 125.261 121.223 0.021 0.000 2.410 5 L HA 0.334 4.487 4.340 -0.311 0.000 0.273 5 L C -0.010 176.876 176.870 0.025 0.000 1.144 5 L CA 0.239 55.094 54.840 0.025 0.000 0.863 5 L CB 0.046 42.123 42.059 0.029 0.000 1.140 5 L HN 0.371 nan 8.230 nan 0.000 0.463 6 K N 7.150 127.567 120.400 0.027 0.000 2.347 6 K HA 0.401 4.534 4.320 -0.311 0.000 0.262 6 K C -2.365 174.258 176.600 0.037 0.000 1.052 6 K CA -1.677 54.628 56.287 0.030 0.000 0.946 6 K CB 0.798 33.313 32.500 0.026 0.000 1.220 6 K HN 0.416 nan 8.250 nan 0.000 0.450 7 P HA -0.106 nan 4.420 nan 0.000 0.261 7 P C 0.673 178.009 177.300 0.059 0.000 1.173 7 P CA 1.060 64.193 63.100 0.054 0.000 0.760 7 P CB 0.577 32.314 31.700 0.063 0.000 0.783 8 G N 2.373 111.205 108.800 0.055 0.000 2.143 8 G HA2 -0.251 3.523 3.960 -0.311 0.000 0.249 8 G HA3 -0.251 3.523 3.960 -0.311 0.000 0.249 8 G C 0.576 175.501 174.900 0.041 0.000 0.981 8 G CA 0.465 45.595 45.100 0.050 0.000 0.665 8 G HN 0.647 nan 8.290 nan 0.000 0.528 9 T N -1.354 113.223 114.554 0.038 0.000 3.129 9 T HA 0.588 4.752 4.350 -0.311 0.000 0.267 9 T C 1.002 175.720 174.700 0.030 0.000 1.018 9 T CA -0.351 61.768 62.100 0.031 0.000 0.903 9 T CB 0.372 69.257 68.868 0.029 0.000 1.067 9 T HN 0.399 nan 8.240 nan 0.000 0.549 10 L N 3.669 124.912 121.223 0.034 0.000 2.490 10 L HA 0.256 4.409 4.340 -0.311 0.000 0.274 10 L C 1.224 178.115 176.870 0.035 0.000 1.201 10 L CA -0.066 54.796 54.840 0.037 0.000 0.869 10 L CB 0.469 42.555 42.059 0.045 0.000 1.123 10 L HN 0.445 nan 8.230 nan 0.000 0.484 11 T N 0.012 114.586 114.554 0.033 0.000 2.912 11 T HA 0.383 4.547 4.350 -0.311 0.000 0.280 11 T C 1.060 175.788 174.700 0.046 0.000 0.989 11 T CA -0.900 61.218 62.100 0.030 0.000 0.995 11 T CB 1.318 70.196 68.868 0.017 0.000 1.077 11 T HN 0.438 nan 8.240 nan 0.000 0.531 12 L N 0.836 122.090 121.223 0.050 0.000 2.156 12 L HA 0.123 4.276 4.340 -0.311 0.000 0.208 12 L C 3.091 179.988 176.870 0.045 0.000 1.095 12 L CA 1.220 56.117 54.840 0.095 0.000 0.770 12 L CB -0.894 41.232 42.059 0.112 0.000 0.914 12 L HN 0.960 nan 8.230 nan 0.000 0.439 13 A N -0.024 122.793 122.820 -0.005 0.000 1.865 13 A HA -0.287 3.846 4.320 -0.311 0.000 0.217 13 A C 2.233 179.781 177.584 -0.060 0.000 1.191 13 A CA 1.849 53.853 52.037 -0.055 0.000 0.623 13 A CB -0.569 18.409 19.000 -0.038 0.000 0.826 13 A HN 0.505 nan 8.150 nan 0.000 0.444 14 Q N -0.421 119.370 119.800 -0.015 0.000 2.135 14 Q HA -0.123 4.030 4.340 -0.311 0.000 0.204 14 Q C 2.103 178.113 176.000 0.017 0.000 0.981 14 Q CA 1.430 57.233 55.803 -0.001 0.000 0.856 14 Q CB -0.414 28.335 28.738 0.018 0.000 0.902 14 Q HN 0.686 nan 8.270 nan 0.000 0.425 15 L N 0.249 121.505 121.223 0.055 0.000 2.056 15 L HA -0.168 3.985 4.340 -0.311 0.000 0.207 15 L C 2.708 179.644 176.870 0.110 0.000 1.078 15 L CA 1.116 56.047 54.840 0.152 0.000 0.749 15 L CB -0.400 41.809 42.059 0.251 0.000 0.901 15 L HN 0.185 nan 8.230 nan 0.000 0.433 16 R N 0.391 120.754 120.500 -0.227 0.000 2.083 16 R HA -0.207 3.946 4.340 -0.311 0.000 0.237 16 R C 2.363 178.499 176.300 -0.273 0.000 1.137 16 R CA 1.632 57.285 56.100 -0.745 0.000 0.951 16 R CB -0.299 29.538 30.300 -0.772 0.000 0.851 16 R HN 0.337 nan 8.270 nan 0.000 0.434 17 A N 0.816 123.548 122.820 -0.146 0.000 1.908 17 A HA -0.172 3.961 4.320 -0.311 0.000 0.218 17 A C 2.169 179.741 177.584 -0.019 0.000 1.181 17 A CA 1.648 53.641 52.037 -0.074 0.000 0.627 17 A CB -0.535 18.436 19.000 -0.047 0.000 0.818 17 A HN 0.391 nan 8.150 nan 0.000 0.445 18 I N -1.416 119.173 120.570 0.032 0.000 2.252 18 I HA -0.253 3.730 4.170 -0.311 0.000 0.245 18 I C 2.517 178.698 176.117 0.108 0.000 1.102 18 I CA 1.588 62.932 61.300 0.074 0.000 1.385 18 I CB -0.428 37.632 38.000 0.100 0.000 1.064 18 I HN 0.566 nan 8.210 nan 0.000 0.414 19 H N 0.908 120.010 119.070 0.053 0.000 2.387 19 H HA -0.133 4.236 4.556 -0.311 0.000 0.299 19 H C 2.147 177.476 175.328 0.000 0.000 1.090 19 H CA 1.452 57.548 56.048 0.079 0.000 1.332 19 H CB 0.379 30.325 29.762 0.306 0.000 1.386 19 H HN 0.366 nan 8.280 nan 0.000 0.516 20 A N 0.689 123.432 122.820 -0.129 0.000 1.935 20 A HA 0.437 4.571 4.320 -0.311 0.000 0.214 20 A C 1.114 178.613 177.584 -0.142 0.000 1.178 20 A CA 0.821 52.741 52.037 -0.196 0.000 0.640 20 A CB -0.061 18.858 19.000 -0.135 0.000 0.825 20 A HN 0.507 nan 8.150 nan 0.000 0.447 21 A N -1.694 121.078 122.820 -0.081 0.000 2.602 21 A HA 0.662 4.795 4.320 -0.311 0.000 0.290 21 A C -3.096 174.484 177.584 -0.007 0.000 1.114 21 A CA -1.655 50.350 52.037 -0.053 0.000 0.683 21 A CB 0.079 19.053 19.000 -0.043 0.000 1.281 21 A HN -0.025 nan 8.150 nan 0.000 0.416 22 P HA 0.187 nan 4.420 nan 0.000 0.264 22 P C -0.510 176.823 177.300 0.055 0.000 1.173 22 P CA 0.449 63.591 63.100 0.070 0.000 0.761 22 P CB 0.431 32.170 31.700 0.065 0.000 0.794 23 V N 3.484 123.443 119.914 0.075 0.000 2.588 23 V HA 0.615 4.548 4.120 -0.311 0.000 0.304 23 V C -0.619 175.503 176.094 0.048 0.000 1.042 23 V CA -1.043 61.290 62.300 0.055 0.000 0.877 23 V CB 2.019 33.878 31.823 0.059 0.000 0.996 23 V HN 0.254 nan 8.190 nan 0.000 0.425 24 R N 5.548 126.068 120.500 0.033 0.000 2.255 24 R HA 0.768 4.921 4.340 -0.311 0.000 0.326 24 R C -0.532 175.782 176.300 0.023 0.000 0.986 24 R CA -0.320 55.795 56.100 0.025 0.000 0.847 24 R CB 1.263 31.574 30.300 0.019 0.000 1.111 24 R HN 0.968 nan 8.270 nan 0.000 0.452 25 L N 0.646 121.883 121.223 0.022 0.000 2.327 25 L HA 0.725 4.878 4.340 -0.311 0.000 0.258 25 L C -1.352 175.528 176.870 0.016 0.000 1.024 25 L CA -0.966 53.887 54.840 0.022 0.000 0.825 25 L CB 2.237 44.313 42.059 0.029 0.000 1.386 25 L HN 0.655 nan 8.230 nan 0.000 0.417 26 Q N 1.519 121.328 119.800 0.015 0.000 2.462 26 Q HA 0.526 4.680 4.340 -0.311 0.000 0.285 26 Q C -2.079 173.930 176.000 0.014 0.000 1.035 26 Q CA -0.936 54.875 55.803 0.012 0.000 0.799 26 Q CB 2.775 31.519 28.738 0.009 0.000 1.452 26 Q HN 0.852 nan 8.270 nan 0.000 0.404 27 L N 1.454 122.684 121.223 0.013 0.000 2.399 27 L HA 0.343 4.496 4.340 -0.311 0.000 0.266 27 L C -0.043 176.835 176.870 0.013 0.000 1.114 27 L CA -0.468 54.381 54.840 0.015 0.000 0.804 27 L CB 1.105 43.173 42.059 0.014 0.000 1.146 27 L HN 0.797 nan 8.230 nan 0.000 0.451 28 D N 0.476 120.885 120.400 0.015 0.000 2.304 28 D HA 0.267 4.720 4.640 -0.311 0.000 0.250 28 D C 0.799 177.105 176.300 0.010 0.000 1.107 28 D CA 0.076 54.084 54.000 0.013 0.000 0.885 28 D CB 1.833 42.642 40.800 0.015 0.000 1.192 28 D HN 0.567 nan 8.370 nan 0.000 0.436 29 A N 2.499 125.323 122.820 0.007 0.000 1.986 29 A HA -0.206 3.927 4.320 -0.311 0.000 0.220 29 A C 2.027 179.613 177.584 0.005 0.000 1.171 29 A CA 2.033 54.072 52.037 0.005 0.000 0.640 29 A CB -0.852 18.150 19.000 0.004 0.000 0.811 29 A HN 0.637 nan 8.150 nan 0.000 0.451 30 S N -0.240 115.464 115.700 0.007 0.000 2.500 30 S HA 0.133 4.416 4.470 -0.311 0.000 0.239 30 S C 1.796 176.400 174.600 0.007 0.000 0.989 30 S CA 1.022 59.227 58.200 0.008 0.000 0.951 30 S CB -0.430 62.778 63.200 0.012 0.000 0.759 30 S HN 0.832 nan 8.310 nan 0.000 0.523 31 A N 2.041 124.866 122.820 0.008 0.000 1.898 31 A HA 0.482 4.615 4.320 -0.311 0.000 0.214 31 A C 2.524 180.107 177.584 -0.002 0.000 1.183 31 A CA 1.128 53.170 52.037 0.009 0.000 0.622 31 A CB -1.420 17.589 19.000 0.014 0.000 0.824 31 A HN 0.726 nan 8.150 nan 0.000 0.444 32 A N 0.639 123.457 122.820 -0.003 0.000 1.927 32 A HA -0.130 4.004 4.320 -0.311 0.000 0.220 32 A C 0.224 177.798 177.584 -0.017 0.000 1.185 32 A CA 2.202 54.234 52.037 -0.009 0.000 0.639 32 A CB -1.751 17.246 19.000 -0.006 0.000 0.820 32 A HN 0.477 nan 8.150 nan 0.000 0.451 33 P HA -0.031 nan 4.420 nan 0.000 0.216 33 P C 1.657 178.929 177.300 -0.045 0.000 1.153 33 P CA 1.831 64.915 63.100 -0.027 0.000 0.844 33 P CB -0.118 31.569 31.700 -0.022 0.000 0.787 34 A N -0.914 121.872 122.820 -0.057 0.000 1.970 34 A HA -0.077 4.057 4.320 -0.311 0.000 0.216 34 A C 2.186 179.707 177.584 -0.104 0.000 1.170 34 A CA 1.005 52.980 52.037 -0.104 0.000 0.645 34 A CB -1.463 17.460 19.000 -0.128 0.000 0.816 34 A HN 0.074 nan 8.150 nan 0.000 0.447 35 I N -0.121 120.412 120.570 -0.062 0.000 2.133 35 I HA -0.223 3.761 4.170 -0.311 0.000 0.238 35 I C 1.915 178.004 176.117 -0.047 0.000 1.074 35 I CA 1.568 62.840 61.300 -0.047 0.000 1.342 35 I CB -0.528 37.459 38.000 -0.021 0.000 1.053 35 I HN 0.185 nan 8.210 nan 0.000 0.404 36 D N 1.092 121.470 120.400 -0.037 0.000 2.149 36 D HA -0.166 4.288 4.640 -0.311 0.000 0.198 36 D C 2.194 178.470 176.300 -0.040 0.000 0.990 36 D CA 1.562 55.543 54.000 -0.032 0.000 0.839 36 D CB -0.184 40.601 40.800 -0.025 0.000 0.948 36 D HN 0.360 nan 8.370 nan 0.000 0.460 37 A N 0.547 123.336 122.820 -0.051 0.000 1.898 37 A HA -0.156 3.978 4.320 -0.311 0.000 0.216 37 A C 2.315 179.860 177.584 -0.066 0.000 1.181 37 A CA 2.198 54.201 52.037 -0.056 0.000 0.620 37 A CB -0.619 18.341 19.000 -0.066 0.000 0.819 37 A HN 0.322 nan 8.150 nan 0.000 0.442 38 S N -0.201 115.446 115.700 -0.088 0.000 2.402 38 S HA -0.104 4.180 4.470 -0.311 0.000 0.229 38 S C 1.713 176.275 174.600 -0.064 0.000 1.021 38 S CA 1.264 59.407 58.200 -0.094 0.000 0.974 38 S CB -0.894 62.233 63.200 -0.123 0.000 0.800 38 S HN 0.247 nan 8.310 nan 0.000 0.484 39 V N 2.656 122.540 119.914 -0.050 0.000 2.343 39 V HA -0.141 3.792 4.120 -0.311 0.000 0.247 39 V C 3.070 179.144 176.094 -0.033 0.000 1.051 39 V CA 1.742 64.019 62.300 -0.038 0.000 1.036 39 V CB -1.472 30.333 31.823 -0.030 0.000 0.654 39 V HN 0.654 nan 8.190 nan 0.000 0.451 40 A N -1.382 121.419 122.820 -0.032 0.000 2.015 40 A HA -0.249 3.885 4.320 -0.311 0.000 0.219 40 A C 2.364 179.934 177.584 -0.024 0.000 1.163 40 A CA 1.755 53.777 52.037 -0.025 0.000 0.646 40 A CB -1.009 17.977 19.000 -0.022 0.000 0.806 40 A HN 0.605 nan 8.150 nan 0.000 0.448 41 C N -1.314 117.968 119.300 -0.030 0.000 2.432 41 C HA -0.056 4.217 4.460 -0.311 0.000 0.277 41 C C 2.679 177.654 174.990 -0.026 0.000 1.249 41 C CA 1.359 60.361 59.018 -0.025 0.000 1.725 41 C CB -1.250 26.470 27.740 -0.033 0.000 2.028 41 C HN 0.422 nan 8.230 nan 0.000 0.477 42 V N 0.553 120.447 119.914 -0.034 0.000 2.261 42 V HA -0.224 3.710 4.120 -0.311 0.000 0.246 42 V C 2.480 178.556 176.094 -0.030 0.000 1.047 42 V CA 2.448 64.726 62.300 -0.036 0.000 1.015 42 V CB -0.783 31.016 31.823 -0.041 0.000 0.642 42 V HN 0.589 nan 8.190 nan 0.000 0.446 43 E N -0.418 119.766 120.200 -0.026 0.000 2.097 43 E HA -0.332 3.832 4.350 -0.311 0.000 0.196 43 E C 2.293 178.882 176.600 -0.018 0.000 1.000 43 E CA 1.851 58.239 56.400 -0.021 0.000 0.804 43 E CB -0.119 29.570 29.700 -0.019 0.000 0.740 43 E HN 0.755 nan 8.360 nan 0.000 0.454 44 Q N 0.493 120.283 119.800 -0.016 0.000 2.245 44 Q HA -0.116 4.038 4.340 -0.311 0.000 0.201 44 Q C 2.042 178.035 176.000 -0.012 0.000 0.955 44 Q CA 0.689 56.484 55.803 -0.012 0.000 0.870 44 Q CB -0.012 28.721 28.738 -0.009 0.000 0.945 44 Q HN 0.294 nan 8.270 nan 0.000 0.461 45 I N 0.723 121.284 120.570 -0.015 0.000 2.179 45 I HA -0.288 3.696 4.170 -0.311 0.000 0.242 45 I C 2.269 178.374 176.117 -0.020 0.000 1.088 45 I CA 1.064 62.355 61.300 -0.015 0.000 1.357 45 I CB -0.098 37.890 38.000 -0.019 0.000 1.051 45 I HN 0.280 nan 8.210 nan 0.000 0.409 46 I N 0.416 120.971 120.570 -0.025 0.000 2.118 46 I HA -0.364 3.619 4.170 -0.311 0.000 0.241 46 I C 2.607 178.711 176.117 -0.021 0.000 1.070 46 I CA 1.714 62.997 61.300 -0.029 0.000 1.327 46 I CB -0.335 37.647 38.000 -0.030 0.000 1.034 46 I HN 0.221 nan 8.210 nan 0.000 0.405 47 A N -0.231 122.580 122.820 -0.016 0.000 2.067 47 A HA -0.157 3.976 4.320 -0.311 0.000 0.219 47 A C 1.905 179.484 177.584 -0.009 0.000 1.158 47 A CA 1.232 53.263 52.037 -0.010 0.000 0.661 47 A CB -0.473 18.522 19.000 -0.008 0.000 0.801 47 A HN 0.515 nan 8.150 nan 0.000 0.452 48 E N -0.326 119.868 120.200 -0.009 0.000 2.476 48 E HA 0.024 4.187 4.350 -0.311 0.000 0.191 48 E C -0.515 176.081 176.600 -0.008 0.000 1.064 48 E CA 0.164 56.560 56.400 -0.006 0.000 0.866 48 E CB -0.043 29.654 29.700 -0.004 0.000 0.952 48 E HN 0.471 nan 8.360 nan 0.000 0.492 49 D N 1.152 121.545 120.400 -0.012 0.000 3.059 49 D HA -0.175 4.279 4.640 -0.311 0.000 0.220 49 D C -0.122 176.169 176.300 -0.015 0.000 1.169 49 D CA 0.844 54.835 54.000 -0.015 0.000 0.902 49 D CB -0.562 40.231 40.800 -0.011 0.000 1.116 49 D HN 0.349 nan 8.370 nan 0.000 0.417 50 R N 0.571 121.063 120.500 -0.014 0.000 2.679 50 R HA 0.389 4.542 4.340 -0.311 0.000 0.269 50 R C 0.858 177.147 176.300 -0.018 0.000 1.076 50 R CA 0.194 56.288 56.100 -0.011 0.000 1.160 50 R CB 0.478 30.774 30.300 -0.006 0.000 1.054 50 R HN 0.129 nan 8.270 nan 0.000 0.507 51 T N -2.075 112.470 114.554 -0.014 0.000 2.812 51 T HA 0.677 4.840 4.350 -0.311 0.000 0.282 51 T C -0.748 173.946 174.700 -0.011 0.000 0.990 51 T CA -0.886 61.200 62.100 -0.023 0.000 0.960 51 T CB 1.841 70.694 68.868 -0.025 0.000 0.948 51 T HN 0.677 nan 8.240 nan 0.000 0.438 52 A N 3.368 126.174 122.820 -0.023 0.000 2.374 52 A HA 0.627 4.761 4.320 -0.311 0.000 0.305 52 A C -0.898 176.679 177.584 -0.011 0.000 1.053 52 A CA -0.972 51.067 52.037 0.003 0.000 0.726 52 A CB 0.922 19.921 19.000 -0.002 0.000 1.229 52 A HN 0.985 nan 8.150 nan 0.000 0.431 53 Y N 2.072 122.333 120.300 -0.066 0.000 2.610 53 Y HA 0.340 4.703 4.550 -0.312 0.000 0.332 53 Y C 1.420 177.272 175.900 -0.080 0.000 1.201 53 Y CA 1.866 59.910 58.100 -0.095 0.000 1.465 53 Y CB 0.567 38.993 38.460 -0.056 0.000 1.283 53 Y HN 1.731 nan 8.280 nan 0.000 0.563 54 G N 4.492 112.676 108.800 -1.028 0.000 2.268 54 G HA2 -0.303 3.470 3.960 -0.311 0.000 0.240 54 G HA3 -0.303 3.470 3.960 -0.311 0.000 0.240 54 G C 0.576 175.283 174.900 -0.322 0.000 1.010 54 G CA 0.472 45.180 45.100 -0.653 0.000 0.618 54 G HN 0.557 nan 8.290 nan 0.000 0.516 55 I N 1.123 121.537 120.570 -0.259 0.000 2.899 55 I HA 0.209 4.193 4.170 -0.311 0.000 0.257 55 I C 1.541 177.558 176.117 -0.166 0.000 1.115 55 I CA 1.956 63.162 61.300 -0.157 0.000 1.451 55 I CB -0.590 37.352 38.000 -0.097 0.000 1.251 55 I HN 0.544 nan 8.210 nan 0.000 0.456 56 N N 0.473 119.062 118.700 -0.185 0.000 2.381 56 N HA 0.005 4.558 4.740 -0.311 0.000 0.257 56 N C -0.104 175.295 175.510 -0.185 0.000 1.409 56 N CA -0.125 52.827 53.050 -0.164 0.000 0.836 56 N CB -0.271 38.151 38.487 -0.108 0.000 1.384 56 N HN 0.204 nan 8.380 nan 0.000 0.490 57 T N -3.526 110.864 114.554 -0.273 0.000 2.923 57 T HA 0.805 4.968 4.350 -0.311 0.000 0.281 57 T C 0.934 175.389 174.700 -0.409 0.000 0.995 57 T CA -0.305 61.649 62.100 -0.243 0.000 0.985 57 T CB 1.514 70.312 68.868 -0.116 0.000 1.114 57 T HN 0.161 nan 8.240 nan 0.000 0.548 58 G N -0.533 108.106 108.800 -0.270 0.000 2.489 58 G HA2 0.543 4.316 3.960 -0.311 0.000 0.271 58 G HA3 0.543 4.316 3.960 -0.311 0.000 0.271 58 G C -1.147 173.508 174.900 -0.408 0.000 1.427 58 G CA -0.806 44.136 45.100 -0.264 0.000 1.057 58 G HN 0.570 nan 8.290 nan 0.000 0.532 59 F N -1.623 118.367 119.950 0.067 0.000 2.577 59 F HA 0.602 4.943 4.527 -0.311 0.000 0.318 59 F C 1.027 176.890 175.800 0.106 0.000 1.065 59 F CA 0.495 58.570 58.000 0.124 0.000 0.929 59 F CB 1.911 40.959 39.000 0.081 0.000 1.237 59 F HN 1.045 nan 8.300 nan 0.000 0.468 60 G N 1.466 110.460 108.800 0.324 0.000 2.557 60 G HA2 -0.307 3.467 3.960 -0.311 0.000 0.292 60 G HA3 -0.307 3.467 3.960 -0.311 0.000 0.292 60 G C 0.971 175.936 174.900 0.109 0.000 1.162 60 G CA 0.272 45.478 45.100 0.176 0.000 0.964 60 G HN 0.655 nan 8.290 nan 0.000 0.541 61 L N 0.533 121.804 121.223 0.080 0.000 2.131 61 L HA 0.098 4.251 4.340 -0.311 0.000 0.210 61 L C 2.744 179.642 176.870 0.047 0.000 1.092 61 L CA 1.137 56.008 54.840 0.051 0.000 0.759 61 L CB -0.472 41.612 42.059 0.041 0.000 0.903 61 L HN 0.397 nan 8.230 nan 0.000 0.435 62 L N -0.291 120.970 121.223 0.062 0.000 2.592 62 L HA 0.107 4.261 4.340 -0.311 0.000 0.227 62 L C 2.455 179.349 176.870 0.040 0.000 1.127 62 L CA -0.113 54.753 54.840 0.043 0.000 0.884 62 L CB -0.340 41.743 42.059 0.041 0.000 1.065 62 L HN 0.156 nan 8.230 nan 0.000 0.457 63 A N 0.240 123.110 122.820 0.083 0.000 2.245 63 A HA -0.176 3.957 4.320 -0.311 0.000 0.217 63 A C 2.152 179.799 177.584 0.106 0.000 1.171 63 A CA 1.849 53.976 52.037 0.149 0.000 0.688 63 A CB -0.358 18.718 19.000 0.128 0.000 0.781 63 A HN 0.523 nan 8.150 nan 0.000 0.479 64 S N -2.652 113.072 115.700 0.040 0.000 2.559 64 S HA 0.205 4.488 4.470 -0.311 0.000 0.226 64 S C 0.386 174.989 174.600 0.005 0.000 1.000 64 S CA 0.028 58.240 58.200 0.020 0.000 0.948 64 S CB 0.116 63.321 63.200 0.008 0.000 0.870 64 S HN 0.204 nan 8.310 nan 0.000 0.497 65 T N 3.068 117.618 114.554 -0.006 0.000 2.779 65 T HA 0.461 4.625 4.350 -0.311 0.000 0.280 65 T C -0.330 174.344 174.700 -0.044 0.000 0.987 65 T CA -0.620 61.469 62.100 -0.019 0.000 0.966 65 T CB 1.651 70.512 68.868 -0.012 0.000 0.933 65 T HN 0.411 nan 8.240 nan 0.000 0.442 66 R N 2.788 123.262 120.500 -0.044 0.000 2.543 66 R HA 0.297 4.451 4.340 -0.311 0.000 0.277 66 R C -0.696 175.559 176.300 -0.076 0.000 1.074 66 R CA -0.316 55.745 56.100 -0.064 0.000 1.076 66 R CB 0.156 30.424 30.300 -0.053 0.000 0.993 66 R HN 0.325 nan 8.270 nan 0.000 0.459 67 I N 4.028 124.539 120.570 -0.099 0.000 2.321 67 I HA 0.229 4.212 4.170 -0.311 0.000 0.291 67 I C 0.348 176.382 176.117 -0.139 0.000 0.998 67 I CA -1.021 60.216 61.300 -0.105 0.000 1.227 67 I CB 0.716 38.653 38.000 -0.104 0.000 1.368 67 I HN 0.824 nan 8.210 nan 0.000 0.466 68 A N 4.792 127.505 122.820 -0.177 0.000 2.600 68 A HA 0.009 4.142 4.320 -0.311 0.000 0.244 68 A C 1.604 178.967 177.584 -0.368 0.000 1.016 68 A CA 0.650 52.486 52.037 -0.335 0.000 0.778 68 A CB -0.149 18.554 19.000 -0.494 0.000 0.920 68 A HN 0.841 nan 8.150 nan 0.000 0.513 69 S N 1.419 116.934 115.700 -0.308 0.000 2.368 69 S HA -0.235 4.048 4.470 -0.311 0.000 0.226 69 S C 1.796 176.308 174.600 -0.147 0.000 1.044 69 S CA 1.929 60.023 58.200 -0.176 0.000 1.062 69 S CB -0.604 62.541 63.200 -0.092 0.000 0.931 69 S HN 1.006 nan 8.310 nan 0.000 0.440 70 H N -0.259 118.805 119.070 -0.012 0.000 2.545 70 H HA 0.081 4.450 4.556 -0.311 0.000 0.282 70 H C 0.720 176.043 175.328 -0.008 0.000 1.020 70 H CA 1.033 57.076 56.048 -0.009 0.000 1.243 70 H CB -0.296 29.462 29.762 -0.007 0.000 1.377 70 H HN 0.290 nan 8.280 nan 0.000 0.581 71 D N 0.609 120.935 120.400 -0.123 0.000 2.323 71 D HA -0.020 4.433 4.640 -0.311 0.000 0.209 71 D C 1.997 178.287 176.300 -0.016 0.000 0.973 71 D CA -0.021 53.964 54.000 -0.025 0.000 0.874 71 D CB 0.242 40.991 40.800 -0.085 0.000 0.930 71 D HN 0.232 nan 8.370 nan 0.000 0.521 72 L N 1.061 122.262 121.223 -0.036 0.000 2.093 72 L HA -0.112 4.041 4.340 -0.311 0.000 0.208 72 L C 2.299 179.168 176.870 -0.003 0.000 1.085 72 L CA 1.416 56.239 54.840 -0.028 0.000 0.755 72 L CB -0.893 41.140 42.059 -0.044 0.000 0.904 72 L HN 0.157 nan 8.230 nan 0.000 0.435 73 E N -0.657 119.549 120.200 0.009 0.000 2.110 73 E HA -0.240 3.923 4.350 -0.311 0.000 0.193 73 E C 1.779 178.389 176.600 0.016 0.000 0.988 73 E CA 1.801 58.209 56.400 0.013 0.000 0.804 73 E CB -0.296 29.415 29.700 0.018 0.000 0.745 73 E HN 0.593 nan 8.360 nan 0.000 0.458 74 N N 0.070 118.783 118.700 0.022 0.000 2.331 74 N HA -0.087 4.467 4.740 -0.311 0.000 0.180 74 N C 1.615 177.142 175.510 0.029 0.000 1.019 74 N CA 0.273 53.337 53.050 0.024 0.000 0.881 74 N CB 0.016 38.520 38.487 0.029 0.000 0.972 74 N HN 0.150 nan 8.380 nan 0.000 0.435 75 L N 1.794 123.038 121.223 0.034 0.000 1.955 75 L HA -0.214 3.939 4.340 -0.311 0.000 0.213 75 L C 1.955 178.858 176.870 0.056 0.000 1.072 75 L CA 1.854 56.731 54.840 0.062 0.000 0.755 75 L CB -1.274 40.824 42.059 0.065 0.000 0.888 75 L HN 0.198 nan 8.230 nan 0.000 0.432 76 Q N 0.350 120.171 119.800 0.035 0.000 1.968 76 Q HA -0.325 3.828 4.340 -0.311 0.000 0.216 76 Q C 2.146 178.149 176.000 0.005 0.000 1.037 76 Q CA 2.635 58.447 55.803 0.015 0.000 0.889 76 Q CB -1.174 27.566 28.738 0.003 0.000 0.998 76 Q HN 0.638 nan 8.270 nan 0.000 0.417 77 R N 0.432 120.936 120.500 0.005 0.000 2.133 77 R HA -0.136 4.017 4.340 -0.311 0.000 0.247 77 R C 2.221 178.522 176.300 0.002 0.000 1.151 77 R CA 2.057 58.157 56.100 0.000 0.000 0.971 77 R CB -0.423 29.878 30.300 0.002 0.000 0.866 77 R HN 0.157 nan 8.270 nan 0.000 0.447 78 S N 0.513 116.222 115.700 0.014 0.000 2.371 78 S HA 0.014 4.297 4.470 -0.311 0.000 0.224 78 S C 1.817 176.430 174.600 0.022 0.000 1.029 78 S CA 1.117 59.326 58.200 0.016 0.000 0.978 78 S CB -0.188 63.031 63.200 0.031 0.000 0.833 78 S HN 0.271 nan 8.310 nan 0.000 0.466 79 L N 1.050 122.284 121.223 0.018 0.000 1.989 79 L HA -0.146 4.007 4.340 -0.311 0.000 0.211 79 L C 2.357 179.252 176.870 0.042 0.000 1.071 79 L CA 1.171 56.012 54.840 0.002 0.000 0.749 79 L CB -0.669 41.329 42.059 -0.100 0.000 0.890 79 L HN 0.197 nan 8.230 nan 0.000 0.431 80 V N -0.164 119.741 119.914 -0.015 0.000 2.255 80 V HA -0.340 3.593 4.120 -0.311 0.000 0.247 80 V C 2.375 178.456 176.094 -0.021 0.000 1.051 80 V CA 1.809 64.094 62.300 -0.025 0.000 1.018 80 V CB -0.443 31.361 31.823 -0.033 0.000 0.641 80 V HN 0.354 nan 8.190 nan 0.000 0.445 81 L N -0.186 121.022 121.223 -0.026 0.000 2.079 81 L HA -0.201 3.953 4.340 -0.311 0.000 0.210 81 L C 2.556 179.390 176.870 -0.059 0.000 1.081 81 L CA 1.912 56.723 54.840 -0.049 0.000 0.752 81 L CB -0.393 41.644 42.059 -0.036 0.000 0.896 81 L HN 0.405 nan 8.230 nan 0.000 0.433 82 S N -1.677 114.008 115.700 -0.026 0.000 2.362 82 S HA -0.149 4.134 4.470 -0.311 0.000 0.221 82 S C 1.678 176.182 174.600 -0.159 0.000 1.032 82 S CA 0.770 58.919 58.200 -0.085 0.000 0.973 82 S CB -0.268 62.877 63.200 -0.091 0.000 0.849 82 S HN 0.493 nan 8.310 nan 0.000 0.465 83 H N 1.184 120.186 119.070 -0.113 0.000 2.547 83 H HA 0.370 4.739 4.556 -0.312 0.000 0.272 83 H C 1.043 176.317 175.328 -0.090 0.000 0.989 83 H CA 0.486 56.476 56.048 -0.096 0.000 1.214 83 H CB -0.106 29.595 29.762 -0.102 0.000 1.389 83 H HN 0.326 nan 8.280 nan 0.000 0.577 84 A N 0.973 123.726 122.820 -0.112 0.000 3.063 84 A HA 0.498 4.631 4.320 -0.311 0.000 0.263 84 A C 0.806 178.322 177.584 -0.113 0.000 1.736 84 A CA 0.383 52.164 52.037 -0.427 0.000 1.408 84 A CB -0.927 17.543 19.000 -0.883 0.000 1.108 84 A HN 0.388 nan 8.150 nan 0.000 0.621 85 A N 1.058 123.957 122.820 0.131 0.000 2.985 85 A HA 0.594 4.727 4.320 -0.311 0.000 0.303 85 A C 0.896 178.588 177.584 0.180 0.000 1.048 85 A CA 0.223 52.336 52.037 0.127 0.000 1.016 85 A CB -0.404 18.602 19.000 0.009 0.000 1.118 85 A HN 0.880 nan 8.150 nan 0.000 0.529 86 G N -0.313 108.692 108.800 0.341 0.000 2.563 86 G HA2 0.574 4.347 3.960 -0.311 0.000 0.283 86 G HA3 0.574 4.347 3.960 -0.311 0.000 0.283 86 G C -0.349 174.562 174.900 0.018 0.000 1.309 86 G CA -0.405 44.742 45.100 0.078 0.000 1.022 86 G HN 0.630 nan 8.290 nan 0.000 0.501 87 I N -1.741 118.822 120.570 -0.012 0.000 2.908 87 I HA 0.592 4.576 4.170 -0.311 0.000 0.300 87 I C 0.079 176.204 176.117 0.013 0.000 1.385 87 I CA 0.472 61.776 61.300 0.007 0.000 1.004 87 I CB 1.942 39.952 38.000 0.017 0.000 1.309 87 I HN 1.392 nan 8.210 nan 0.000 0.449 88 G N 3.485 112.300 108.800 0.025 0.000 2.434 88 G HA2 0.365 4.139 3.960 -0.311 0.000 0.671 88 G HA3 0.365 4.139 3.960 -0.311 0.000 0.671 88 G C -0.929 173.999 174.900 0.048 0.000 1.280 88 G CA -0.299 44.822 45.100 0.035 0.000 0.975 88 G HN 1.214 nan 8.290 nan 0.000 0.510 89 A N 0.475 123.326 122.820 0.052 0.000 2.366 89 A HA 0.771 4.904 4.320 -0.311 0.000 0.249 89 A C -2.025 175.579 177.584 0.033 0.000 1.084 89 A CA -0.487 51.586 52.037 0.059 0.000 0.794 89 A CB 0.007 19.046 19.000 0.064 0.000 1.034 89 A HN 0.644 nan 8.150 nan 0.000 0.491 90 P HA 0.310 nan 4.420 nan 0.000 0.281 90 P C -0.466 176.829 177.300 -0.008 0.000 1.252 90 P CA -0.218 62.810 63.100 -0.120 0.000 0.778 90 P CB 0.426 31.984 31.700 -0.236 0.000 0.895 91 L N 2.581 123.802 121.223 -0.003 0.000 2.529 91 L HA -0.032 4.121 4.340 -0.311 0.000 0.287 91 L C 1.041 177.896 176.870 -0.025 0.000 1.241 91 L CA 0.210 55.056 54.840 0.011 0.000 0.857 91 L CB -0.314 41.784 42.059 0.066 0.000 1.113 91 L HN 0.521 nan 8.230 nan 0.000 0.504 92 D N 0.129 120.478 120.400 -0.084 0.000 2.382 92 D HA -0.023 4.430 4.640 -0.311 0.000 0.240 92 D C 0.475 176.656 176.300 -0.198 0.000 1.146 92 D CA -0.570 53.348 54.000 -0.136 0.000 0.897 92 D CB 0.720 41.422 40.800 -0.164 0.000 1.197 92 D HN 0.397 nan 8.370 nan 0.000 0.432 93 D N 0.765 120.980 120.400 -0.309 0.000 2.158 93 D HA -0.173 4.280 4.640 -0.311 0.000 0.197 93 D C 1.173 177.112 176.300 -0.602 0.000 0.995 93 D CA 1.104 54.731 54.000 -0.622 0.000 0.846 93 D CB -0.220 40.084 40.800 -0.827 0.000 0.941 93 D HN 0.473 nan 8.370 nan 0.000 0.456 94 D N -0.205 119.968 120.400 -0.378 0.000 2.106 94 D HA -0.136 4.317 4.640 -0.311 0.000 0.191 94 D C 2.042 178.281 176.300 -0.102 0.000 0.997 94 D CA 0.473 54.316 54.000 -0.261 0.000 0.834 94 D CB -0.331 40.293 40.800 -0.293 0.000 0.956 94 D HN 0.091 nan 8.370 nan 0.000 0.448 95 L N 0.228 121.408 121.223 -0.072 0.000 2.056 95 L HA -0.106 4.047 4.340 -0.311 0.000 0.207 95 L C 2.335 179.246 176.870 0.068 0.000 1.078 95 L CA 0.999 55.860 54.840 0.035 0.000 0.749 95 L CB -0.561 41.490 42.059 -0.013 0.000 0.901 95 L HN -0.063 nan 8.230 nan 0.000 0.433 96 V N -0.200 119.732 119.914 0.029 0.000 2.219 96 V HA -0.396 3.537 4.120 -0.311 0.000 0.248 96 V C 2.691 178.878 176.094 0.155 0.000 1.053 96 V CA 2.291 64.655 62.300 0.107 0.000 1.009 96 V CB -0.757 31.143 31.823 0.128 0.000 0.636 96 V HN 0.509 nan 8.190 nan 0.000 0.445 97 R N -0.293 120.288 120.500 0.134 0.000 2.136 97 R HA -0.266 3.887 4.340 -0.311 0.000 0.242 97 R C 2.294 178.690 176.300 0.160 0.000 1.131 97 R CA 2.518 58.757 56.100 0.231 0.000 0.937 97 R CB -0.628 29.773 30.300 0.168 0.000 0.863 97 R HN 0.422 nan 8.270 nan 0.000 0.435 98 L N 0.922 122.222 121.223 0.128 0.000 2.013 98 L HA -0.159 3.995 4.340 -0.311 0.000 0.212 98 L C 2.148 179.085 176.870 0.111 0.000 1.073 98 L CA 1.785 56.705 54.840 0.132 0.000 0.753 98 L CB -0.410 41.744 42.059 0.158 0.000 0.890 98 L HN 0.358 nan 8.230 nan 0.000 0.432 99 I N -1.463 119.175 120.570 0.113 0.000 2.315 99 I HA -0.325 3.659 4.170 -0.311 0.000 0.248 99 I C 2.446 178.619 176.117 0.092 0.000 1.117 99 I CA 1.392 62.748 61.300 0.094 0.000 1.404 99 I CB -0.174 37.887 38.000 0.102 0.000 1.071 99 I HN 0.302 nan 8.210 nan 0.000 0.419 100 M N -0.419 119.251 119.600 0.116 0.000 2.080 100 M HA -0.216 4.077 4.480 -0.311 0.000 0.260 100 M C 2.323 178.676 176.300 0.087 0.000 1.068 100 M CA 1.660 57.025 55.300 0.108 0.000 1.109 100 M CB -0.312 32.370 32.600 0.136 0.000 1.342 100 M HN 0.076 nan 8.290 nan 0.000 0.405 101 V N 0.435 120.406 119.914 0.094 0.000 2.515 101 V HA -0.225 3.708 4.120 -0.311 0.000 0.250 101 V C 2.181 178.316 176.094 0.068 0.000 1.058 101 V CA 1.357 63.705 62.300 0.079 0.000 1.064 101 V CB -0.538 31.337 31.823 0.086 0.000 0.675 101 V HN 0.463 nan 8.190 nan 0.000 0.461 102 L N 0.015 121.278 121.223 0.067 0.000 2.093 102 L HA -0.159 3.995 4.340 -0.311 0.000 0.208 102 L C 2.581 179.480 176.870 0.049 0.000 1.085 102 L CA 1.662 56.534 54.840 0.054 0.000 0.755 102 L CB -0.511 41.575 42.059 0.046 0.000 0.904 102 L HN 0.327 nan 8.230 nan 0.000 0.435 103 K N 1.177 121.608 120.400 0.050 0.000 2.057 103 K HA -0.126 4.007 4.320 -0.311 0.000 0.206 103 K C 1.812 178.439 176.600 0.046 0.000 1.050 103 K CA 1.490 57.804 56.287 0.045 0.000 0.935 103 K CB -0.368 32.159 32.500 0.045 0.000 0.715 103 K HN 0.136 nan 8.250 nan 0.000 0.439 104 I N 1.325 121.923 120.570 0.048 0.000 2.099 104 I HA -0.341 3.642 4.170 -0.311 0.000 0.239 104 I C 2.288 178.433 176.117 0.047 0.000 1.066 104 I CA 1.762 63.089 61.300 0.044 0.000 1.324 104 I CB -0.649 37.377 38.000 0.044 0.000 1.037 104 I HN 0.362 nan 8.210 nan 0.000 0.401 105 N N 0.379 119.109 118.700 0.049 0.000 2.061 105 N HA -0.235 4.318 4.740 -0.311 0.000 0.193 105 N C 1.932 177.477 175.510 0.058 0.000 1.030 105 N CA 2.107 55.188 53.050 0.051 0.000 0.856 105 N CB -0.238 38.279 38.487 0.050 0.000 1.023 105 N HN 0.202 nan 8.380 nan 0.000 0.424 106 S N -0.596 115.138 115.700 0.056 0.000 2.348 106 S HA 0.017 4.301 4.470 -0.311 0.000 0.221 106 S C 1.914 176.561 174.600 0.078 0.000 1.033 106 S CA 1.089 59.326 58.200 0.063 0.000 1.010 106 S CB -0.379 62.852 63.200 0.051 0.000 0.891 106 S HN 0.373 nan 8.310 nan 0.000 0.442 107 L N 0.871 122.132 121.223 0.063 0.000 2.083 107 L HA -0.050 4.103 4.340 -0.311 0.000 0.209 107 L C 2.396 179.305 176.870 0.065 0.000 1.083 107 L CA 1.075 55.952 54.840 0.061 0.000 0.752 107 L CB -0.570 41.513 42.059 0.041 0.000 0.899 107 L HN 0.241 nan 8.230 nan 0.000 0.433 108 S N -0.500 115.235 115.700 0.058 0.000 2.547 108 S HA -0.069 4.215 4.470 -0.311 0.000 0.235 108 S C 1.745 176.385 174.600 0.066 0.000 0.980 108 S CA 0.665 58.895 58.200 0.049 0.000 0.941 108 S CB -0.284 62.942 63.200 0.042 0.000 0.763 108 S HN 0.342 nan 8.310 nan 0.000 0.532 109 R N 0.626 121.195 120.500 0.115 0.000 2.323 109 R HA 0.095 4.248 4.340 -0.311 0.000 0.198 109 R C 1.361 177.750 176.300 0.148 0.000 0.988 109 R CA 0.386 56.594 56.100 0.179 0.000 1.041 109 R CB -0.223 30.241 30.300 0.274 0.000 0.926 109 R HN 0.410 nan 8.270 nan 0.000 0.476 110 G N 0.554 109.388 108.800 0.056 0.000 2.246 110 G HA2 -0.273 3.500 3.960 -0.311 0.000 0.273 110 G HA3 -0.273 3.500 3.960 -0.311 0.000 0.273 110 G C 0.183 174.948 174.900 -0.224 0.000 1.055 110 G CA -0.005 45.046 45.100 -0.082 0.000 0.851 110 G HN 0.389 nan 8.290 nan 0.000 0.500 111 F N -0.070 119.878 119.950 -0.005 0.000 2.682 111 F HA 0.292 4.633 4.527 -0.310 0.000 0.308 111 F C 1.956 177.696 175.800 -0.100 0.000 1.093 111 F CA 0.763 58.733 58.000 -0.050 0.000 1.244 111 F CB 0.981 39.980 39.000 -0.001 0.000 1.052 111 F HN 0.203 nan 8.300 nan 0.000 0.573 112 S N -0.840 114.904 115.700 0.074 0.000 2.511 112 S HA 0.253 4.536 4.470 -0.311 0.000 0.214 112 S C 1.647 176.240 174.600 -0.011 0.000 0.997 112 S CA 0.529 58.748 58.200 0.033 0.000 0.908 112 S CB 0.352 63.581 63.200 0.048 0.000 0.803 112 S HN 0.428 nan 8.310 nan 0.000 0.504 113 G N 2.195 110.977 108.800 -0.030 0.000 2.221 113 G HA2 -0.257 3.517 3.960 -0.311 0.000 0.265 113 G HA3 -0.257 3.517 3.960 -0.311 0.000 0.265 113 G C -0.099 174.784 174.900 -0.029 0.000 1.041 113 G CA 0.507 45.582 45.100 -0.041 0.000 0.807 113 G HN 0.582 nan 8.290 nan 0.000 0.502 114 I N -0.901 119.658 120.570 -0.019 0.000 2.646 114 I HA 0.682 4.665 4.170 -0.311 0.000 0.299 114 I C 0.548 176.658 176.117 -0.012 0.000 1.036 114 I CA -1.713 59.579 61.300 -0.014 0.000 1.074 114 I CB 1.039 39.036 38.000 -0.006 0.000 1.258 114 I HN 0.126 nan 8.210 nan 0.000 0.430 115 R N 5.073 125.566 120.500 -0.012 0.000 2.679 115 R HA 0.150 4.304 4.340 -0.311 0.000 0.268 115 R C 1.030 177.326 176.300 -0.006 0.000 1.044 115 R CA -0.128 55.965 56.100 -0.011 0.000 1.105 115 R CB 0.427 30.722 30.300 -0.010 0.000 0.989 115 R HN 0.651 nan 8.270 nan 0.000 0.447 116 R N 1.888 122.384 120.500 -0.007 0.000 2.105 116 R HA -0.212 3.941 4.340 -0.311 0.000 0.239 116 R C 2.014 178.313 176.300 -0.002 0.000 1.135 116 R CA 1.616 57.714 56.100 -0.003 0.000 0.967 116 R CB -0.114 30.183 30.300 -0.005 0.000 0.861 116 R HN 0.529 nan 8.270 nan 0.000 0.442 117 K N 0.843 121.241 120.400 -0.004 0.000 2.152 117 K HA -0.118 4.015 4.320 -0.311 0.000 0.206 117 K C 1.739 178.337 176.600 -0.003 0.000 1.048 117 K CA 1.324 57.609 56.287 -0.004 0.000 0.933 117 K CB 0.148 32.644 32.500 -0.006 0.000 0.721 117 K HN 0.019 nan 8.250 nan 0.000 0.447 118 V N 1.325 121.237 119.914 -0.002 0.000 2.407 118 V HA -0.191 3.742 4.120 -0.311 0.000 0.245 118 V C 2.263 178.360 176.094 0.004 0.000 1.041 118 V CA 1.388 63.688 62.300 -0.000 0.000 1.040 118 V CB -0.302 31.520 31.823 -0.001 0.000 0.671 118 V HN 0.268 nan 8.190 nan 0.000 0.455 119 I N 0.304 120.877 120.570 0.006 0.000 2.142 119 I HA -0.225 3.758 4.170 -0.311 0.000 0.240 119 I C 2.331 178.453 176.117 0.009 0.000 1.078 119 I CA 1.635 62.942 61.300 0.011 0.000 1.343 119 I CB -0.580 37.427 38.000 0.013 0.000 1.046 119 I HN 0.255 nan 8.210 nan 0.000 0.405 120 D N 1.127 121.530 120.400 0.004 0.000 2.172 120 D HA -0.229 4.224 4.640 -0.311 0.000 0.196 120 D C 2.218 178.517 176.300 -0.002 0.000 0.999 120 D CA 1.718 55.719 54.000 0.001 0.000 0.856 120 D CB -0.238 40.561 40.800 -0.002 0.000 0.934 120 D HN 0.409 nan 8.370 nan 0.000 0.453 121 A N 0.480 123.299 122.820 -0.002 0.000 1.877 121 A HA -0.147 3.987 4.320 -0.311 0.000 0.216 121 A C 2.440 180.022 177.584 -0.003 0.000 1.186 121 A CA 1.011 53.044 52.037 -0.005 0.000 0.620 121 A CB -0.862 18.136 19.000 -0.003 0.000 0.822 121 A HN 0.231 nan 8.150 nan 0.000 0.443 122 L N -0.906 120.321 121.223 0.006 0.000 1.990 122 L HA -0.243 3.910 4.340 -0.311 0.000 0.213 122 L C 2.539 179.415 176.870 0.009 0.000 1.072 122 L CA 1.667 56.516 54.840 0.014 0.000 0.755 122 L CB -0.527 41.547 42.059 0.025 0.000 0.889 122 L HN 0.375 nan 8.230 nan 0.000 0.432 123 I N -0.287 120.288 120.570 0.010 0.000 2.264 123 I HA -0.324 3.659 4.170 -0.311 0.000 0.248 123 I C 2.671 178.784 176.117 -0.006 0.000 1.111 123 I CA 1.429 62.735 61.300 0.009 0.000 1.382 123 I CB -0.393 37.614 38.000 0.010 0.000 1.060 123 I HN 0.218 nan 8.210 nan 0.000 0.418 124 A N 0.095 122.905 122.820 -0.016 0.000 1.969 124 A HA -0.125 4.008 4.320 -0.311 0.000 0.218 124 A C 2.259 179.810 177.584 -0.056 0.000 1.169 124 A CA 1.322 53.340 52.037 -0.032 0.000 0.635 124 A CB -0.743 18.238 19.000 -0.031 0.000 0.810 124 A HN 0.410 nan 8.150 nan 0.000 0.445 125 L N -0.808 120.382 121.223 -0.055 0.000 2.156 125 L HA -0.100 4.054 4.340 -0.311 0.000 0.208 125 L C 2.431 179.222 176.870 -0.132 0.000 1.095 125 L CA 0.531 55.314 54.840 -0.095 0.000 0.770 125 L CB -0.313 41.708 42.059 -0.062 0.000 0.914 125 L HN 0.233 nan 8.230 nan 0.000 0.439 126 V N 0.002 119.879 119.914 -0.061 0.000 2.307 126 V HA -0.240 3.693 4.120 -0.311 0.000 0.245 126 V C 2.128 178.197 176.094 -0.042 0.000 1.045 126 V CA 1.745 64.024 62.300 -0.035 0.000 1.024 126 V CB -0.566 31.277 31.823 0.033 0.000 0.651 126 V HN 0.471 nan 8.190 nan 0.000 0.449 127 N N 0.653 119.336 118.700 -0.029 0.000 2.223 127 N HA -0.089 4.464 4.740 -0.311 0.000 0.185 127 N C 1.604 177.097 175.510 -0.029 0.000 1.016 127 N CA 1.521 54.562 53.050 -0.015 0.000 0.863 127 N CB -0.390 38.089 38.487 -0.012 0.000 0.983 127 N HN 0.508 nan 8.380 nan 0.000 0.429 128 A N 0.277 123.054 122.820 -0.072 0.000 2.218 128 A HA 0.064 4.197 4.320 -0.311 0.000 0.209 128 A C 0.214 177.758 177.584 -0.066 0.000 1.168 128 A CA 0.079 52.068 52.037 -0.081 0.000 0.804 128 A CB -0.188 18.724 19.000 -0.148 0.000 0.834 128 A HN 0.321 nan 8.150 nan 0.000 0.482 129 E N -1.008 119.091 120.200 -0.169 0.000 2.287 129 E HA -0.127 4.037 4.350 -0.311 0.000 0.229 129 E C -1.006 175.309 176.600 -0.475 0.000 1.194 129 E CA 0.449 56.656 56.400 -0.320 0.000 0.704 129 E CB -1.848 27.900 29.700 0.080 0.000 1.216 129 E HN 0.276 nan 8.360 nan 0.000 0.381 130 V N 1.730 121.248 119.914 -0.659 0.000 2.378 130 V HA 0.373 4.306 4.120 -0.311 0.000 0.288 130 V C -0.569 175.237 176.094 -0.480 0.000 1.016 130 V CA -0.537 61.527 62.300 -0.394 0.000 0.840 130 V CB 0.651 32.343 31.823 -0.218 0.000 0.994 130 V HN 0.194 nan 8.190 nan 0.000 0.431 131 Y N 5.728 126.094 120.300 0.110 0.000 2.345 131 Y HA 0.505 4.868 4.550 -0.310 0.000 0.331 131 Y C -2.386 173.635 175.900 0.201 0.000 0.959 131 Y CA -3.221 54.947 58.100 0.113 0.000 1.204 131 Y CB 1.465 39.961 38.460 0.059 0.000 1.135 131 Y HN 0.465 nan 8.280 nan 0.000 0.477 132 P HA -0.063 nan 4.420 nan 0.000 0.269 132 P C -0.167 177.388 177.300 0.425 0.000 1.209 132 P CA 0.034 63.338 63.100 0.341 0.000 0.776 132 P CB 0.493 32.334 31.700 0.235 0.000 0.876 133 H N 4.161 123.445 119.070 0.357 0.000 3.138 133 H HA 0.128 4.497 4.556 -0.311 0.000 0.275 133 H C -0.500 174.930 175.328 0.171 0.000 0.997 133 H CA 0.717 56.908 56.048 0.239 0.000 1.460 133 H CB -0.415 29.260 29.762 -0.146 0.000 1.524 133 H HN 0.269 nan 8.280 nan 0.000 0.532 134 I N 9.037 129.619 120.570 0.019 0.000 2.466 134 I HA 0.237 4.220 4.170 -0.311 0.000 0.289 134 I C -2.470 173.592 176.117 -0.091 0.000 1.026 134 I CA -2.046 59.282 61.300 0.045 0.000 1.078 134 I CB 2.510 40.577 38.000 0.112 0.000 1.249 134 I HN 0.428 nan 8.210 nan 0.000 0.429 135 P HA 0.114 nan 4.420 nan 0.000 0.281 135 P C 0.387 177.697 177.300 0.017 0.000 1.249 135 P CA -0.567 62.496 63.100 -0.061 0.000 0.810 135 P CB 1.884 33.512 31.700 -0.119 0.000 1.008 136 L N 1.630 122.891 121.223 0.063 0.000 2.141 136 L HA 0.022 4.176 4.340 -0.311 0.000 0.209 136 L C 0.529 177.487 176.870 0.146 0.000 1.094 136 L CA 1.832 56.755 54.840 0.138 0.000 0.763 136 L CB -0.691 41.426 42.059 0.098 0.000 0.908 136 L HN 0.260 nan 8.230 nan 0.000 0.437 137 K N -1.483 118.959 120.400 0.071 0.000 2.295 137 K HA 0.666 4.800 4.320 -0.311 0.000 0.239 137 K C 0.347 176.968 176.600 0.035 0.000 0.991 137 K CA -0.141 56.179 56.287 0.056 0.000 0.845 137 K CB 1.618 34.138 32.500 0.033 0.000 1.197 137 K HN -0.014 nan 8.250 nan 0.000 0.441 138 G N 0.158 108.977 108.800 0.033 0.000 2.797 138 G HA2 -0.216 3.557 3.960 -0.311 0.000 0.195 138 G HA3 -0.216 3.557 3.960 -0.311 0.000 0.195 138 G C 0.039 174.952 174.900 0.020 0.000 1.026 138 G CA 0.012 45.129 45.100 0.029 0.000 0.759 138 G HN 0.559 nan 8.290 nan 0.000 0.475 139 S N 0.593 116.300 115.700 0.012 0.000 2.562 139 S HA 0.503 4.786 4.470 -0.311 0.000 0.275 139 S C 1.335 175.919 174.600 -0.027 0.000 1.281 139 S CA 0.370 58.563 58.200 -0.012 0.000 1.045 139 S CB 1.561 64.736 63.200 -0.041 0.000 0.962 139 S HN 1.506 nan 8.310 nan 0.000 0.503 140 V N 2.078 121.972 119.914 -0.034 0.000 3.271 140 V HA 0.515 4.448 4.120 -0.311 0.000 0.327 140 V C 1.130 177.178 176.094 -0.078 0.000 1.389 140 V CA 0.082 62.353 62.300 -0.047 0.000 1.156 140 V CB -0.683 31.113 31.823 -0.044 0.000 1.103 140 V HN 1.357 nan 8.190 nan 0.000 0.453 141 G N 0.109 108.862 108.800 -0.077 0.000 2.323 141 G HA2 0.191 3.964 3.960 -0.311 0.000 0.292 141 G HA3 0.191 3.964 3.960 -0.311 0.000 0.292 141 G C 0.198 175.027 174.900 -0.118 0.000 1.040 141 G CA 0.442 45.489 45.100 -0.089 0.000 0.942 141 G HN 2.271 nan 8.290 nan 0.000 0.506 142 A N -1.386 121.401 122.820 -0.054 0.000 2.549 142 A HA 0.893 5.027 4.320 -0.311 0.000 0.306 142 A C 0.538 178.157 177.584 0.058 0.000 1.053 142 A CA 0.989 53.054 52.037 0.046 0.000 0.892 142 A CB 0.282 19.192 19.000 -0.151 0.000 1.329 142 A HN 2.132 nan 8.150 nan 0.000 0.388 143 S N 0.792 116.498 115.700 0.010 0.000 2.769 143 S HA 0.350 4.634 4.470 -0.311 0.000 0.266 143 S C 1.122 175.539 174.600 -0.305 0.000 1.426 143 S CA 1.269 59.235 58.200 -0.390 0.000 0.905 143 S CB -1.564 61.527 63.200 -0.182 0.000 1.172 143 S HN 3.413 nan 8.310 nan 0.000 0.751 144 G N 0.360 109.077 108.800 -0.138 0.000 2.692 144 G HA2 0.377 4.150 3.960 -0.311 0.000 0.686 144 G HA3 0.377 4.150 3.960 -0.311 0.000 0.686 144 G C 0.434 175.312 174.900 -0.036 0.000 1.243 144 G CA 0.376 45.436 45.100 -0.067 0.000 0.782 144 G HN 1.720 nan 8.290 nan 0.000 0.625 145 A N 2.233 125.042 122.820 -0.019 0.000 2.265 145 A HA 0.261 4.394 4.320 -0.311 0.000 0.203 145 A C 2.421 180.003 177.584 -0.005 0.000 1.285 145 A CA 1.631 53.654 52.037 -0.024 0.000 0.839 145 A CB -0.534 18.451 19.000 -0.024 0.000 0.758 145 A HN 1.506 nan 8.150 nan 0.000 0.502 146 L N -1.888 119.325 121.223 -0.016 0.000 2.701 146 L HA -0.464 3.689 4.340 -0.311 0.000 0.245 146 L C 2.787 179.711 176.870 0.090 0.000 2.082 146 L CA 2.489 57.338 54.840 0.016 0.000 0.826 146 L CB -1.580 40.513 42.059 0.056 0.000 1.551 146 L HN 0.513 nan 8.230 nan 0.000 0.398 147 A N 0.147 123.039 122.820 0.119 0.000 1.865 147 A HA -0.144 3.990 4.320 -0.311 0.000 0.217 147 A C -0.127 177.647 177.584 0.316 0.000 1.191 147 A CA 2.416 54.595 52.037 0.236 0.000 0.623 147 A CB -1.935 17.187 19.000 0.203 0.000 0.826 147 A HN 0.590 nan 8.150 nan 0.000 0.444 148 P HA -0.155 nan 4.420 nan 0.000 0.216 148 P C 1.621 179.018 177.300 0.162 0.000 1.150 148 P CA 0.982 64.168 63.100 0.144 0.000 0.837 148 P CB -0.199 31.541 31.700 0.066 0.000 0.786 149 L N -1.027 120.257 121.223 0.102 0.000 2.109 149 L HA -0.089 4.064 4.340 -0.311 0.000 0.207 149 L C 2.655 179.565 176.870 0.068 0.000 1.086 149 L CA 1.368 56.249 54.840 0.068 0.000 0.760 149 L CB -0.932 41.138 42.059 0.018 0.000 0.910 149 L HN -0.042 nan 8.230 nan 0.000 0.437 150 A N -0.898 121.965 122.820 0.072 0.000 1.877 150 A HA -0.236 3.897 4.320 -0.311 0.000 0.216 150 A C 2.065 179.654 177.584 0.008 0.000 1.186 150 A CA 1.290 53.338 52.037 0.018 0.000 0.620 150 A CB -0.818 18.191 19.000 0.015 0.000 0.822 150 A HN 0.429 nan 8.150 nan 0.000 0.443 151 H N -1.362 117.745 119.070 0.061 0.000 2.421 151 H HA -0.109 4.261 4.556 -0.311 0.000 0.298 151 H C 2.099 177.482 175.328 0.093 0.000 1.087 151 H CA 1.741 57.837 56.048 0.081 0.000 1.330 151 H CB -0.186 29.649 29.762 0.121 0.000 1.388 151 H HN 0.565 nan 8.280 nan 0.000 0.526 152 M N 0.491 120.211 119.600 0.200 0.000 2.099 152 M HA -0.136 4.157 4.480 -0.311 0.000 0.262 152 M C 2.040 178.398 176.300 0.098 0.000 1.067 152 M CA 1.523 56.914 55.300 0.151 0.000 1.124 152 M CB 0.166 32.842 32.600 0.126 0.000 1.353 152 M HN 0.029 nan 8.290 nan 0.000 0.410 153 S N 1.172 116.908 115.700 0.060 0.000 2.481 153 S HA -0.031 4.253 4.470 -0.311 0.000 0.231 153 S C 1.761 176.373 174.600 0.020 0.000 0.996 153 S CA 0.649 58.867 58.200 0.030 0.000 0.942 153 S CB -0.478 62.727 63.200 0.007 0.000 0.768 153 S HN 0.479 nan 8.310 nan 0.000 0.520 154 L N 1.078 122.311 121.223 0.017 0.000 1.997 154 L HA -0.170 3.983 4.340 -0.311 0.000 0.216 154 L C 2.372 179.252 176.870 0.018 0.000 1.074 154 L CA 1.255 56.094 54.840 -0.002 0.000 0.763 154 L CB -0.812 41.237 42.059 -0.017 0.000 0.890 154 L HN 0.230 nan 8.230 nan 0.000 0.434 155 V N 0.103 120.045 119.914 0.047 0.000 2.392 155 V HA -0.303 3.630 4.120 -0.311 0.000 0.249 155 V C 2.399 178.510 176.094 0.029 0.000 1.059 155 V CA 1.626 63.956 62.300 0.051 0.000 1.051 155 V CB -0.388 31.485 31.823 0.083 0.000 0.658 155 V HN 0.369 nan 8.190 nan 0.000 0.455 156 L N -0.940 120.298 121.223 0.025 0.000 2.079 156 L HA -0.174 3.979 4.340 -0.311 0.000 0.210 156 L C 1.875 178.748 176.870 0.005 0.000 1.081 156 L CA 1.441 56.288 54.840 0.013 0.000 0.752 156 L CB -0.403 41.663 42.059 0.012 0.000 0.896 156 L HN 0.317 nan 8.230 nan 0.000 0.433 157 L N -0.246 120.979 121.223 0.004 0.000 2.728 157 L HA 0.227 4.380 4.340 -0.311 0.000 0.235 157 L C 1.259 178.128 176.870 -0.001 0.000 1.197 157 L CA 0.344 55.184 54.840 -0.001 0.000 0.992 157 L CB -0.023 42.033 42.059 -0.006 0.000 1.263 157 L HN 0.339 nan 8.230 nan 0.000 0.484 158 G N -0.883 107.919 108.800 0.003 0.000 2.160 158 G HA2 -0.221 3.552 3.960 -0.311 0.000 0.251 158 G HA3 -0.221 3.552 3.960 -0.311 0.000 0.251 158 G C 0.213 175.115 174.900 0.003 0.000 1.008 158 G CA 0.043 45.145 45.100 0.004 0.000 0.724 158 G HN 0.358 nan 8.290 nan 0.000 0.514 159 E N -0.516 119.685 120.200 0.001 0.000 2.281 159 E HA 0.652 4.815 4.350 -0.311 0.000 0.257 159 E C 1.050 177.649 176.600 -0.002 0.000 0.971 159 E CA 0.055 56.450 56.400 -0.009 0.000 0.839 159 E CB 1.271 30.957 29.700 -0.023 0.000 1.238 159 E HN 1.358 nan 8.360 nan 0.000 0.412 160 G N 1.311 110.097 108.800 -0.023 0.000 2.552 160 G HA2 -0.277 3.496 3.960 -0.311 0.000 0.265 160 G HA3 -0.277 3.496 3.960 -0.311 0.000 0.265 160 G C -0.495 174.401 174.900 -0.008 0.000 1.234 160 G CA 0.641 45.721 45.100 -0.033 0.000 0.944 160 G HN 0.662 nan 8.290 nan 0.000 0.568 161 K N -0.917 119.494 120.400 0.018 0.000 2.512 161 K HA 0.839 4.972 4.320 -0.311 0.000 0.263 161 K C -0.613 176.167 176.600 0.301 0.000 0.966 161 K CA -0.436 55.916 56.287 0.108 0.000 0.851 161 K CB 2.093 34.597 32.500 0.006 0.000 1.395 161 K HN 2.034 nan 8.250 nan 0.000 0.440 162 A N 1.387 124.469 122.820 0.436 0.000 2.454 162 A HA 0.631 4.764 4.320 -0.311 0.000 0.302 162 A C -1.277 176.652 177.584 0.575 0.000 1.079 162 A CA -0.946 51.407 52.037 0.526 0.000 0.731 162 A CB 1.779 20.940 19.000 0.269 0.000 1.299 162 A HN 0.772 nan 8.150 nan 0.000 0.413 163 R N 0.449 121.136 120.500 0.311 0.000 2.312 163 R HA 0.549 4.702 4.340 -0.311 0.000 0.311 163 R C -1.843 174.515 176.300 0.096 0.000 1.004 163 R CA -0.225 55.774 56.100 -0.168 0.000 0.902 163 R CB 0.807 30.625 30.300 -0.803 0.000 1.073 163 R HN 0.748 nan 8.270 nan 0.000 0.457 164 Y N 3.628 123.879 120.300 -0.081 0.000 2.396 164 Y HA 0.216 4.579 4.550 -0.311 0.000 0.332 164 Y C -0.812 175.060 175.900 -0.047 0.000 1.034 164 Y CA -1.166 56.911 58.100 -0.039 0.000 1.057 164 Y CB 1.335 39.779 38.460 -0.027 0.000 1.220 164 Y HN 0.720 nan 8.280 nan 0.000 0.440 165 K N 4.531 124.526 120.400 -0.676 0.000 3.035 165 K HA -0.222 3.911 4.320 -0.311 0.000 0.262 165 K C 0.842 177.268 176.600 -0.289 0.000 1.024 165 K CA 1.173 57.133 56.287 -0.545 0.000 0.748 165 K CB -1.694 30.382 32.500 -0.706 0.000 1.247 165 K HN 1.567 nan 8.250 nan 0.000 0.482 166 G N 0.470 109.127 108.800 -0.238 0.000 2.166 166 G HA2 -0.362 3.411 3.960 -0.311 0.000 0.260 166 G HA3 -0.362 3.411 3.960 -0.311 0.000 0.260 166 G C -0.087 174.646 174.900 -0.279 0.000 0.986 166 G CA 1.071 46.024 45.100 -0.246 0.000 0.683 166 G HN 0.624 nan 8.290 nan 0.000 0.527 167 Q N -0.483 119.176 119.800 -0.236 0.000 2.342 167 Q HA 0.447 4.600 4.340 -0.311 0.000 0.267 167 Q C -0.810 175.120 176.000 -0.117 0.000 1.038 167 Q CA -1.318 54.393 55.803 -0.154 0.000 0.832 167 Q CB 1.163 29.884 28.738 -0.029 0.000 1.323 167 Q HN 0.362 nan 8.270 nan 0.000 0.448 168 W N 3.843 125.199 121.300 0.093 0.000 2.419 168 W HA 0.330 4.803 4.660 -0.312 0.000 0.312 168 W C -0.055 176.523 176.519 0.098 0.000 1.323 168 W CA -0.414 56.998 57.345 0.110 0.000 1.293 168 W CB 0.523 30.049 29.460 0.109 0.000 1.324 168 W HN 0.444 nan 8.180 nan 0.000 0.512 169 L N 2.561 124.008 121.223 0.372 0.000 2.492 169 L HA 0.524 4.677 4.340 -0.311 0.000 0.263 169 L C 0.685 177.682 176.870 0.212 0.000 1.062 169 L CA -1.160 53.823 54.840 0.238 0.000 0.817 169 L CB 0.790 42.957 42.059 0.180 0.000 1.441 169 L HN 0.262 nan 8.230 nan 0.000 0.493 170 S N -0.628 115.151 115.700 0.131 0.000 2.632 170 S HA 0.348 4.631 4.470 -0.311 0.000 0.271 170 S C 0.781 175.432 174.600 0.085 0.000 1.260 170 S CA -0.247 58.008 58.200 0.092 0.000 1.010 170 S CB 1.494 64.728 63.200 0.057 0.000 0.965 170 S HN 0.659 nan 8.310 nan 0.000 0.534 171 A N 1.310 124.170 122.820 0.068 0.000 2.186 171 A HA -0.022 4.111 4.320 -0.311 0.000 0.219 171 A C 1.833 179.436 177.584 0.032 0.000 1.159 171 A CA 1.688 53.760 52.037 0.058 0.000 0.680 171 A CB -1.293 17.733 19.000 0.043 0.000 0.787 171 A HN 0.885 nan 8.150 nan 0.000 0.467 172 T N -1.567 113.003 114.554 0.026 0.000 2.925 172 T HA 0.005 4.169 4.350 -0.311 0.000 0.245 172 T C 1.779 176.481 174.700 0.003 0.000 1.025 172 T CA 0.753 62.860 62.100 0.011 0.000 1.149 172 T CB -0.260 68.615 68.868 0.011 0.000 0.866 172 T HN 0.577 nan 8.240 nan 0.000 0.437 173 E N 1.573 121.782 120.200 0.015 0.000 2.153 173 E HA -0.107 4.057 4.350 -0.311 0.000 0.194 173 E C 2.262 178.848 176.600 -0.023 0.000 0.988 173 E CA 1.041 57.444 56.400 0.006 0.000 0.811 173 E CB -0.172 29.547 29.700 0.032 0.000 0.746 173 E HN 0.498 nan 8.360 nan 0.000 0.466 174 A N 0.819 123.634 122.820 -0.008 0.000 1.930 174 A HA -0.035 4.098 4.320 -0.311 0.000 0.215 174 A C 2.159 179.695 177.584 -0.081 0.000 1.176 174 A CA 0.443 52.450 52.037 -0.051 0.000 0.632 174 A CB -0.429 18.585 19.000 0.024 0.000 0.819 174 A HN 0.269 nan 8.150 nan 0.000 0.445 175 L N -0.573 120.626 121.223 -0.040 0.000 2.012 175 L HA -0.233 3.920 4.340 -0.311 0.000 0.210 175 L C 3.132 179.964 176.870 -0.064 0.000 1.073 175 L CA 1.176 55.989 54.840 -0.044 0.000 0.748 175 L CB -0.492 41.555 42.059 -0.021 0.000 0.891 175 L HN 0.454 nan 8.230 nan 0.000 0.431 176 A N -0.467 122.318 122.820 -0.058 0.000 1.883 176 A HA -0.201 3.932 4.320 -0.311 0.000 0.217 176 A C 2.313 179.837 177.584 -0.100 0.000 1.186 176 A CA 1.974 53.974 52.037 -0.062 0.000 0.624 176 A CB -1.009 17.964 19.000 -0.044 0.000 0.822 176 A HN 0.199 nan 8.150 nan 0.000 0.444 177 V N -0.195 119.627 119.914 -0.153 0.000 2.317 177 V HA -0.324 3.609 4.120 -0.311 0.000 0.251 177 V C 2.852 178.810 176.094 -0.226 0.000 1.065 177 V CA 2.139 64.284 62.300 -0.257 0.000 1.049 177 V CB -1.036 30.480 31.823 -0.513 0.000 0.651 177 V HN 0.640 nan 8.190 nan 0.000 0.450 178 A N -0.871 121.838 122.820 -0.185 0.000 2.235 178 A HA 0.355 4.488 4.320 -0.311 0.000 0.208 178 A C 1.835 179.366 177.584 -0.088 0.000 1.172 178 A CA 1.000 52.955 52.037 -0.135 0.000 0.786 178 A CB -0.684 18.247 19.000 -0.115 0.000 0.804 178 A HN 1.400 nan 8.150 nan 0.000 0.479 179 G N -1.326 107.426 108.800 -0.080 0.000 2.182 179 G HA2 -0.198 3.575 3.960 -0.311 0.000 0.248 179 G HA3 -0.198 3.575 3.960 -0.311 0.000 0.248 179 G C -0.079 174.796 174.900 -0.041 0.000 1.042 179 G CA 0.525 45.593 45.100 -0.053 0.000 0.775 179 G HN 0.471 nan 8.290 nan 0.000 0.501 180 L N -1.300 119.897 121.223 -0.043 0.000 2.271 180 L HA 0.864 5.017 4.340 -0.311 0.000 0.265 180 L C 0.372 177.227 176.870 -0.025 0.000 1.013 180 L CA -1.174 53.647 54.840 -0.031 0.000 0.820 180 L CB 1.785 43.825 42.059 -0.032 0.000 1.352 180 L HN 0.173 nan 8.230 nan 0.000 0.443 181 E N 0.009 120.198 120.200 -0.018 0.000 2.336 181 E HA 0.392 4.556 4.350 -0.311 0.000 0.267 181 E C -2.531 174.063 176.600 -0.010 0.000 0.906 181 E CA -1.965 54.427 56.400 -0.013 0.000 0.781 181 E CB 2.114 31.808 29.700 -0.011 0.000 1.261 181 E HN 0.266 nan 8.360 nan 0.000 0.436 182 P HA -0.036 nan 4.420 nan 0.000 0.264 182 P C -0.847 176.450 177.300 -0.004 0.000 1.183 182 P CA 0.550 63.648 63.100 -0.004 0.000 0.763 182 P CB 0.398 32.096 31.700 -0.003 0.000 0.807 183 L N 2.262 123.483 121.223 -0.003 0.000 2.331 183 L HA 0.448 4.601 4.340 -0.311 0.000 0.275 183 L C 0.723 177.592 176.870 -0.003 0.000 1.022 183 L CA -0.404 54.434 54.840 -0.003 0.000 0.812 183 L CB 1.904 43.961 42.059 -0.003 0.000 1.257 183 L HN 0.264 nan 8.230 nan 0.000 0.435 184 T N 2.850 117.402 114.554 -0.002 0.000 2.859 184 T HA 0.635 4.799 4.350 -0.311 0.000 0.281 184 T C -0.211 174.488 174.700 -0.002 0.000 1.005 184 T CA -0.343 61.756 62.100 -0.001 0.000 1.025 184 T CB 1.027 69.896 68.868 0.000 0.000 0.977 184 T HN 0.264 nan 8.240 nan 0.000 0.458 185 L N 2.220 123.442 121.223 -0.002 0.000 2.322 185 L HA 0.876 5.029 4.340 -0.311 0.000 0.269 185 L C 0.318 177.185 176.870 -0.004 0.000 1.012 185 L CA -1.036 53.802 54.840 -0.004 0.000 0.815 185 L CB 1.620 43.675 42.059 -0.006 0.000 1.295 185 L HN 0.682 nan 8.230 nan 0.000 0.438 186 A N 0.774 123.589 122.820 -0.008 0.000 2.392 186 A HA 0.863 4.996 4.320 -0.311 0.000 0.283 186 A C -0.267 177.306 177.584 -0.018 0.000 1.197 186 A CA -0.399 51.631 52.037 -0.012 0.000 0.895 186 A CB 0.864 19.856 19.000 -0.013 0.000 1.400 186 A HN 0.757 nan 8.150 nan 0.000 0.461 187 A N -0.610 122.194 122.820 -0.027 0.000 2.603 187 A HA 0.364 4.498 4.320 -0.311 0.000 0.235 187 A C 1.141 178.702 177.584 -0.040 0.000 1.035 187 A CA 1.496 53.509 52.037 -0.040 0.000 0.755 187 A CB -0.421 18.549 19.000 -0.050 0.000 0.954 187 A HN 1.999 nan 8.150 nan 0.000 0.511 188 K N 0.438 120.811 120.400 -0.046 0.000 3.571 188 K HA -0.245 3.888 4.320 -0.311 0.000 0.275 188 K C 0.946 177.531 176.600 -0.026 0.000 1.034 188 K CA 2.649 58.911 56.287 -0.042 0.000 1.116 188 K CB -1.855 30.616 32.500 -0.048 0.000 1.386 188 K HN 0.832 nan 8.250 nan 0.000 0.466 189 E N -0.739 119.448 120.200 -0.022 0.000 2.204 189 E HA -0.066 4.098 4.350 -0.311 0.000 0.194 189 E C 1.876 178.463 176.600 -0.021 0.000 0.989 189 E CA 0.991 57.380 56.400 -0.018 0.000 0.824 189 E CB -0.222 29.469 29.700 -0.014 0.000 0.756 189 E HN 0.610 nan 8.360 nan 0.000 0.477 190 G N 1.393 110.181 108.800 -0.020 0.000 2.404 190 G HA2 -0.210 3.563 3.960 -0.311 0.000 0.215 190 G HA3 -0.210 3.563 3.960 -0.311 0.000 0.215 190 G C 1.576 176.435 174.900 -0.070 0.000 1.174 190 G CA 0.229 45.306 45.100 -0.038 0.000 0.780 190 G HN 0.098 nan 8.290 nan 0.000 0.537 191 L N 0.578 121.773 121.223 -0.046 0.000 2.217 191 L HA 0.032 4.185 4.340 -0.311 0.000 0.211 191 L C 3.337 180.178 176.870 -0.047 0.000 1.107 191 L CA 0.722 55.524 54.840 -0.063 0.000 0.783 191 L CB -0.290 41.761 42.059 -0.013 0.000 0.919 191 L HN 0.332 nan 8.230 nan 0.000 0.442 192 A N 0.179 122.983 122.820 -0.027 0.000 1.898 192 A HA -0.137 3.997 4.320 -0.311 0.000 0.216 192 A C 2.206 179.784 177.584 -0.010 0.000 1.181 192 A CA 1.274 53.306 52.037 -0.009 0.000 0.620 192 A CB -0.461 18.536 19.000 -0.005 0.000 0.819 192 A HN 0.339 nan 8.150 nan 0.000 0.442 193 L N -1.023 120.187 121.223 -0.022 0.000 2.095 193 L HA -0.062 4.091 4.340 -0.311 0.000 0.204 193 L C 2.010 178.861 176.870 -0.031 0.000 1.080 193 L CA 0.430 55.260 54.840 -0.017 0.000 0.759 193 L CB -0.245 41.804 42.059 -0.017 0.000 0.914 193 L HN 0.251 nan 8.230 nan 0.000 0.439 194 L N -1.154 120.024 121.223 -0.074 0.000 2.341 194 L HA 0.083 4.236 4.340 -0.311 0.000 0.214 194 L C 0.860 177.669 176.870 -0.102 0.000 1.115 194 L CA 0.856 55.630 54.840 -0.109 0.000 0.820 194 L CB -1.017 40.904 42.059 -0.229 0.000 0.944 194 L HN 0.202 nan 8.230 nan 0.000 0.452 195 N N 0.009 118.662 118.700 -0.079 0.000 2.473 195 N HA 0.530 5.083 4.740 -0.311 0.000 0.291 195 N C 0.091 175.613 175.510 0.020 0.000 1.083 195 N CA 0.617 53.639 53.050 -0.048 0.000 0.951 195 N CB 2.154 40.611 38.487 -0.049 0.000 1.164 195 N HN 0.196 nan 8.380 nan 0.000 0.480 196 G N -0.474 108.360 108.800 0.056 0.000 2.352 196 G HA2 -0.054 3.719 3.960 -0.311 0.000 0.302 196 G HA3 -0.054 3.719 3.960 -0.311 0.000 0.302 196 G C -0.181 174.748 174.900 0.049 0.000 1.370 196 G CA -0.331 44.809 45.100 0.066 0.000 0.918 196 G HN 0.408 nan 8.290 nan 0.000 0.610 197 T N -2.389 112.185 114.554 0.033 0.000 3.176 197 T HA 0.274 4.438 4.350 -0.311 0.000 0.263 197 T C 1.540 176.221 174.700 -0.032 0.000 1.021 197 T CA 0.565 62.665 62.100 0.000 0.000 0.905 197 T CB 0.680 69.554 68.868 0.009 0.000 1.057 197 T HN 0.382 nan 8.240 nan 0.000 0.558 198 Q N 1.637 121.424 119.800 -0.022 0.000 2.084 198 Q HA 0.191 4.345 4.340 -0.311 0.000 0.202 198 Q C 2.624 178.583 176.000 -0.067 0.000 0.978 198 Q CA 1.804 57.593 55.803 -0.023 0.000 0.844 198 Q CB -0.625 28.117 28.738 0.007 0.000 0.898 198 Q HN 0.708 nan 8.270 nan 0.000 0.426 199 A N 0.394 123.141 122.820 -0.121 0.000 1.851 199 A HA -0.235 3.898 4.320 -0.311 0.000 0.216 199 A C 2.249 179.524 177.584 -0.515 0.000 1.195 199 A CA 2.013 53.888 52.037 -0.270 0.000 0.622 199 A CB -0.907 17.918 19.000 -0.292 0.000 0.831 199 A HN 0.411 nan 8.150 nan 0.000 0.444 200 S N -0.305 115.140 115.700 -0.425 0.000 2.399 200 S HA -0.141 4.143 4.470 -0.311 0.000 0.231 200 S C 1.852 176.369 174.600 -0.138 0.000 1.022 200 S CA 1.758 59.752 58.200 -0.343 0.000 0.983 200 S CB -0.841 62.247 63.200 -0.187 0.000 0.803 200 S HN 0.631 nan 8.310 nan 0.000 0.480 201 T N 2.405 116.898 114.554 -0.100 0.000 2.821 201 T HA 0.094 4.258 4.350 -0.311 0.000 0.267 201 T C 2.222 176.897 174.700 -0.041 0.000 1.046 201 T CA 1.141 63.209 62.100 -0.054 0.000 1.139 201 T CB -0.506 68.339 68.868 -0.038 0.000 0.871 201 T HN 0.534 nan 8.240 nan 0.000 0.454 202 A N 0.573 123.391 122.820 -0.003 0.000 1.930 202 A HA -0.049 4.085 4.320 -0.311 0.000 0.217 202 A C 2.021 179.692 177.584 0.145 0.000 1.175 202 A CA 1.149 53.209 52.037 0.038 0.000 0.627 202 A CB -0.870 18.196 19.000 0.110 0.000 0.815 202 A HN 0.447 nan 8.150 nan 0.000 0.443 203 Y N -0.041 120.301 120.300 0.071 0.000 2.097 203 Y HA -0.156 4.205 4.550 -0.314 0.000 0.282 203 Y C 3.029 179.010 175.900 0.136 0.000 1.152 203 Y CA 0.491 58.761 58.100 0.285 0.000 1.136 203 Y CB -1.338 37.221 38.460 0.165 0.000 0.975 203 Y HN 0.329 nan 8.280 nan 0.000 0.498 204 A N -0.103 122.805 122.820 0.146 0.000 1.933 204 A HA -0.139 3.995 4.320 -0.311 0.000 0.218 204 A C 2.452 179.931 177.584 -0.175 0.000 1.175 204 A CA 1.420 53.451 52.037 -0.010 0.000 0.628 204 A CB -1.107 17.871 19.000 -0.037 0.000 0.814 204 A HN 0.456 nan 8.150 nan 0.000 0.444 205 L N -0.918 120.124 121.223 -0.302 0.000 2.046 205 L HA -0.207 3.947 4.340 -0.311 0.000 0.208 205 L C 2.847 178.994 176.870 -1.205 0.000 1.077 205 L CA 1.900 56.310 54.840 -0.717 0.000 0.747 205 L CB -0.441 41.228 42.059 -0.650 0.000 0.896 205 L HN 0.568 nan 8.230 nan 0.000 0.432 206 R N 0.203 120.167 120.500 -0.893 0.000 2.096 206 R HA -0.144 4.009 4.340 -0.311 0.000 0.235 206 R C 2.153 177.946 176.300 -0.845 0.000 1.127 206 R CA 1.590 57.041 56.100 -1.083 0.000 0.968 206 R CB -0.526 29.234 30.300 -0.901 0.000 0.861 206 R HN 0.333 nan 8.270 nan 0.000 0.440 207 G N 1.353 109.980 108.800 -0.287 0.000 2.402 207 G HA2 -0.259 3.514 3.960 -0.311 0.000 0.216 207 G HA3 -0.259 3.514 3.960 -0.311 0.000 0.216 207 G C 1.318 176.193 174.900 -0.041 0.000 1.162 207 G CA 0.711 45.817 45.100 0.011 0.000 0.777 207 G HN 0.323 nan 8.290 nan 0.000 0.539 208 L N -0.042 121.066 121.223 -0.191 0.000 1.989 208 L HA 0.030 4.183 4.340 -0.311 0.000 0.211 208 L C 2.583 179.478 176.870 0.041 0.000 1.071 208 L CA 1.715 56.493 54.840 -0.104 0.000 0.749 208 L CB -0.681 41.275 42.059 -0.173 0.000 0.890 208 L HN 0.163 nan 8.230 nan 0.000 0.431 209 F N -0.841 119.051 119.950 -0.096 0.000 2.091 209 F HA -0.259 4.083 4.527 -0.309 0.000 0.299 209 F C 2.474 178.339 175.800 0.108 0.000 1.103 209 F CA 1.089 59.068 58.000 -0.036 0.000 1.228 209 F CB -1.775 37.172 39.000 -0.087 0.000 0.984 209 F HN 0.110 nan 8.300 nan 0.000 0.477 210 Y N 0.308 120.732 120.300 0.208 0.000 2.097 210 Y HA -0.195 4.166 4.550 -0.314 0.000 0.282 210 Y C 2.673 178.644 175.900 0.117 0.000 1.152 210 Y CA 0.637 58.824 58.100 0.145 0.000 1.136 210 Y CB -1.615 36.922 38.460 0.129 0.000 0.975 210 Y HN 0.040 nan 8.280 nan 0.000 0.498 211 A N 0.034 123.020 122.820 0.278 0.000 1.948 211 A HA -0.247 3.886 4.320 -0.311 0.000 0.220 211 A C 2.189 179.877 177.584 0.173 0.000 1.177 211 A CA 1.989 54.136 52.037 0.184 0.000 0.636 211 A CB -0.703 18.374 19.000 0.128 0.000 0.815 211 A HN 0.575 nan 8.150 nan 0.000 0.449 212 E N -0.320 119.983 120.200 0.170 0.000 2.051 212 E HA -0.183 3.980 4.350 -0.311 0.000 0.192 212 E C 1.522 178.217 176.600 0.157 0.000 0.991 212 E CA 1.199 57.683 56.400 0.140 0.000 0.799 212 E CB -0.244 29.539 29.700 0.138 0.000 0.748 212 E HN 0.558 nan 8.360 nan 0.000 0.449 213 D N 0.820 121.317 120.400 0.161 0.000 2.144 213 D HA -0.135 4.318 4.640 -0.311 0.000 0.199 213 D C 2.097 178.439 176.300 0.069 0.000 0.984 213 D CA 0.737 54.802 54.000 0.108 0.000 0.834 213 D CB -0.169 40.706 40.800 0.126 0.000 0.955 213 D HN 0.151 nan 8.370 nan 0.000 0.465 214 L N -0.213 121.067 121.223 0.095 0.000 2.056 214 L HA -0.190 3.963 4.340 -0.311 0.000 0.207 214 L C 2.457 179.349 176.870 0.037 0.000 1.078 214 L CA 0.942 55.812 54.840 0.049 0.000 0.749 214 L CB -0.510 41.592 42.059 0.071 0.000 0.901 214 L HN 0.076 nan 8.230 nan 0.000 0.433 215 Y N 0.974 121.264 120.300 -0.017 0.000 2.053 215 Y HA -0.361 4.001 4.550 -0.313 0.000 0.277 215 Y C 2.546 178.391 175.900 -0.092 0.000 1.159 215 Y CA 1.792 59.868 58.100 -0.040 0.000 1.125 215 Y CB -0.391 38.054 38.460 -0.026 0.000 0.969 215 Y HN 0.116 nan 8.280 nan 0.000 0.492 216 A N 0.784 123.670 122.820 0.109 0.000 1.865 216 A HA -0.212 3.921 4.320 -0.311 0.000 0.217 216 A C 2.475 179.936 177.584 -0.204 0.000 1.191 216 A CA 2.530 54.545 52.037 -0.036 0.000 0.623 216 A CB -1.763 17.245 19.000 0.013 0.000 0.826 216 A HN 0.718 nan 8.150 nan 0.000 0.444 217 A N -0.222 122.491 122.820 -0.179 0.000 1.927 217 A HA 0.020 4.153 4.320 -0.311 0.000 0.220 217 A C 2.492 179.914 177.584 -0.270 0.000 1.185 217 A CA 2.614 54.496 52.037 -0.259 0.000 0.639 217 A CB -1.127 17.733 19.000 -0.232 0.000 0.820 217 A HN 1.279 nan 8.150 nan 0.000 0.451 218 A N -0.587 122.088 122.820 -0.240 0.000 2.067 218 A HA 0.007 4.140 4.320 -0.311 0.000 0.219 218 A C 1.909 179.328 177.584 -0.275 0.000 1.158 218 A CA 1.468 53.374 52.037 -0.218 0.000 0.661 218 A CB -0.419 18.467 19.000 -0.191 0.000 0.801 218 A HN 0.461 nan 8.150 nan 0.000 0.452 219 I N -0.438 119.861 120.570 -0.451 0.000 2.406 219 I HA -0.113 3.870 4.170 -0.311 0.000 0.249 219 I C 2.842 178.752 176.117 -0.345 0.000 1.122 219 I CA 1.252 62.181 61.300 -0.618 0.000 1.431 219 I CB -1.685 35.800 38.000 -0.859 0.000 1.087 219 I HN 0.328 nan 8.210 nan 0.000 0.424 220 A N 0.532 123.183 122.820 -0.282 0.000 1.873 220 A HA -0.198 3.935 4.320 -0.311 0.000 0.215 220 A C 2.608 180.113 177.584 -0.131 0.000 1.186 220 A CA 1.830 53.748 52.037 -0.199 0.000 0.616 220 A CB -1.159 17.695 19.000 -0.243 0.000 0.823 220 A HN 0.479 nan 8.150 nan 0.000 0.442 221 C N -0.971 118.231 119.300 -0.164 0.000 2.432 221 C HA -0.001 4.272 4.460 -0.311 0.000 0.277 221 C C 2.985 177.989 174.990 0.023 0.000 1.249 221 C CA 0.699 59.673 59.018 -0.073 0.000 1.725 221 C CB -1.655 26.033 27.740 -0.086 0.000 2.028 221 C HN 0.704 nan 8.230 nan 0.000 0.477 222 G N 0.034 108.868 108.800 0.058 0.000 2.470 222 G HA2 0.020 3.794 3.960 -0.311 0.000 0.220 222 G HA3 0.020 3.794 3.960 -0.311 0.000 0.220 222 G C 1.696 176.694 174.900 0.163 0.000 1.121 222 G CA 1.165 46.353 45.100 0.148 0.000 0.766 222 G HN 0.606 nan 8.290 nan 0.000 0.553 223 G N 0.704 109.597 108.800 0.155 0.000 2.408 223 G HA2 -0.034 3.739 3.960 -0.311 0.000 0.215 223 G HA3 -0.034 3.739 3.960 -0.311 0.000 0.215 223 G C 1.741 176.680 174.900 0.066 0.000 1.156 223 G CA 0.465 45.626 45.100 0.101 0.000 0.793 223 G HN 0.423 nan 8.290 nan 0.000 0.535 224 L N 0.849 122.112 121.223 0.068 0.000 2.109 224 L HA -0.026 4.127 4.340 -0.311 0.000 0.207 224 L C 3.103 180.020 176.870 0.079 0.000 1.086 224 L CA 1.054 55.943 54.840 0.082 0.000 0.760 224 L CB -0.270 41.856 42.059 0.113 0.000 0.910 224 L HN 0.126 nan 8.230 nan 0.000 0.437 225 S N -0.620 115.123 115.700 0.073 0.000 2.402 225 S HA -0.122 4.162 4.470 -0.311 0.000 0.229 225 S C 2.062 176.696 174.600 0.056 0.000 1.021 225 S CA 0.895 59.130 58.200 0.058 0.000 0.974 225 S CB -0.147 63.083 63.200 0.050 0.000 0.800 225 S HN 0.142 nan 8.310 nan 0.000 0.484 226 V N 2.236 122.189 119.914 0.066 0.000 2.295 226 V HA -0.160 3.773 4.120 -0.311 0.000 0.246 226 V C 2.548 178.688 176.094 0.077 0.000 1.049 226 V CA 1.590 63.935 62.300 0.075 0.000 1.024 226 V CB -0.500 31.382 31.823 0.099 0.000 0.648 226 V HN 0.437 nan 8.190 nan 0.000 0.447 227 E N 0.318 120.566 120.200 0.081 0.000 2.028 227 E HA -0.178 3.986 4.350 -0.311 0.000 0.191 227 E C 2.424 179.072 176.600 0.080 0.000 0.988 227 E CA 1.421 57.876 56.400 0.091 0.000 0.799 227 E CB -0.637 29.114 29.700 0.085 0.000 0.755 227 E HN 0.538 nan 8.360 nan 0.000 0.447 228 A N 1.489 124.350 122.820 0.068 0.000 1.971 228 A HA -0.198 3.935 4.320 -0.311 0.000 0.222 228 A C 2.354 179.962 177.584 0.040 0.000 1.182 228 A CA 2.326 54.397 52.037 0.057 0.000 0.649 228 A CB -0.682 18.346 19.000 0.047 0.000 0.818 228 A HN 0.225 nan 8.150 nan 0.000 0.458 229 V N -3.500 116.432 119.914 0.030 0.000 3.444 229 V HA 0.449 4.382 4.120 -0.311 0.000 0.308 229 V C 0.486 176.570 176.094 -0.017 0.000 1.371 229 V CA 0.172 62.476 62.300 0.007 0.000 1.141 229 V CB -1.052 30.772 31.823 0.001 0.000 1.037 229 V HN 0.550 nan 8.190 nan 0.000 0.433 230 L N 0.391 121.619 121.223 0.008 0.000 3.677 230 L HA -0.153 4.001 4.340 -0.311 0.000 0.464 230 L C 0.952 177.741 176.870 -0.135 0.000 1.278 230 L CA 0.356 55.165 54.840 -0.051 0.000 0.806 230 L CB -2.213 39.743 42.059 -0.171 0.000 1.610 230 L HN 0.576 nan 8.230 nan 0.000 0.867 231 G N -0.284 108.512 108.800 -0.006 0.000 2.588 231 G HA2 0.448 4.221 3.960 -0.311 0.000 0.281 231 G HA3 0.448 4.221 3.960 -0.311 0.000 0.281 231 G C 0.152 175.092 174.900 0.067 0.000 1.236 231 G CA 0.381 45.485 45.100 0.007 0.000 0.969 231 G HN 0.233 nan 8.290 nan 0.000 0.504 232 S N -1.874 113.861 115.700 0.059 0.000 2.652 232 S HA 0.343 4.626 4.470 -0.311 0.000 0.270 232 S C 1.226 175.924 174.600 0.163 0.000 1.243 232 S CA -0.536 57.718 58.200 0.090 0.000 0.999 232 S CB 1.196 64.405 63.200 0.015 0.000 0.973 232 S HN 0.509 nan 8.310 nan 0.000 0.544 233 R N 0.729 121.339 120.500 0.184 0.000 2.335 233 R HA 0.221 4.374 4.340 -0.311 0.000 0.210 233 R C 2.036 178.461 176.300 0.207 0.000 0.892 233 R CA 0.314 56.617 56.100 0.339 0.000 1.048 233 R CB 0.046 30.497 30.300 0.251 0.000 1.067 233 R HN 0.554 nan 8.270 nan 0.000 0.524 234 S N 1.342 117.066 115.700 0.040 0.000 2.399 234 S HA -0.051 4.233 4.470 -0.311 0.000 0.231 234 S C -1.156 173.356 174.600 -0.147 0.000 1.022 234 S CA 0.956 59.142 58.200 -0.025 0.000 0.983 234 S CB -0.656 62.525 63.200 -0.032 0.000 0.803 234 S HN 0.221 nan 8.310 nan 0.000 0.480 235 P HA -0.017 nan 4.420 nan 0.000 0.225 235 P C 0.455 177.431 177.300 -0.540 0.000 1.148 235 P CA 0.871 63.634 63.100 -0.562 0.000 0.779 235 P CB -0.152 31.027 31.700 -0.868 0.000 0.780 236 F N -1.522 118.504 119.950 0.126 0.000 2.727 236 F HA 0.171 4.511 4.527 -0.312 0.000 0.302 236 F C 0.711 176.689 175.800 0.297 0.000 1.097 236 F CA -0.948 57.198 58.000 0.243 0.000 1.330 236 F CB -1.052 38.002 39.000 0.089 0.000 1.084 236 F HN -0.178 nan 8.300 nan 0.000 0.578 237 D N 0.799 121.327 120.400 0.213 0.000 2.451 237 D HA 0.177 4.630 4.640 -0.311 0.000 0.254 237 D C 1.544 177.910 176.300 0.109 0.000 1.204 237 D CA 0.413 54.478 54.000 0.109 0.000 0.896 237 D CB 1.015 41.807 40.800 -0.014 0.000 1.136 237 D HN 0.222 nan 8.370 nan 0.000 0.499 238 A N 4.807 127.744 122.820 0.194 0.000 1.971 238 A HA -0.309 3.825 4.320 -0.311 0.000 0.222 238 A C 2.061 179.690 177.584 0.075 0.000 1.182 238 A CA 1.568 53.730 52.037 0.208 0.000 0.649 238 A CB -0.320 18.762 19.000 0.136 0.000 0.818 238 A HN 0.752 nan 8.150 nan 0.000 0.458 239 R N -0.877 119.618 120.500 -0.009 0.000 2.075 239 R HA -0.004 4.150 4.340 -0.311 0.000 0.232 239 R C 1.973 178.203 176.300 -0.118 0.000 1.126 239 R CA 1.471 57.546 56.100 -0.042 0.000 0.963 239 R CB -0.513 29.765 30.300 -0.036 0.000 0.858 239 R HN 0.555 nan 8.270 nan 0.000 0.435 240 I N 0.455 120.865 120.570 -0.267 0.000 2.286 240 I HA -0.281 3.702 4.170 -0.311 0.000 0.248 240 I C 2.197 178.103 176.117 -0.351 0.000 1.115 240 I CA 1.291 62.371 61.300 -0.366 0.000 1.392 240 I CB -0.280 37.401 38.000 -0.533 0.000 1.065 240 I HN 0.228 nan 8.210 nan 0.000 0.418 241 H N -0.461 118.618 119.070 0.015 0.000 2.372 241 H HA -0.078 4.291 4.556 -0.311 0.000 0.301 241 H C 2.032 177.375 175.328 0.024 0.000 1.065 241 H CA 1.148 57.212 56.048 0.027 0.000 1.364 241 H CB -0.277 29.519 29.762 0.057 0.000 1.406 241 H HN 0.280 nan 8.280 nan 0.000 0.521 242 E N 1.146 121.407 120.200 0.101 0.000 2.153 242 E HA -0.048 4.115 4.350 -0.311 0.000 0.194 242 E C 2.291 178.909 176.600 0.029 0.000 0.988 242 E CA 0.962 57.399 56.400 0.063 0.000 0.811 242 E CB -0.089 29.640 29.700 0.048 0.000 0.746 242 E HN 0.408 nan 8.360 nan 0.000 0.466 243 A N 0.340 123.160 122.820 0.000 0.000 1.969 243 A HA -0.140 3.994 4.320 -0.311 0.000 0.218 243 A C 2.151 179.735 177.584 -0.001 0.000 1.169 243 A CA 1.343 53.373 52.037 -0.011 0.000 0.635 243 A CB -0.363 18.616 19.000 -0.035 0.000 0.810 243 A HN 0.122 nan 8.150 nan 0.000 0.445 244 R N -1.231 119.276 120.500 0.012 0.000 2.093 244 R HA 0.033 4.186 4.340 -0.311 0.000 0.224 244 R C 1.483 177.800 176.300 0.028 0.000 1.101 244 R CA 1.110 57.223 56.100 0.021 0.000 0.979 244 R CB -0.243 30.081 30.300 0.040 0.000 0.877 244 R HN 0.737 nan 8.270 nan 0.000 0.441 245 G N 0.368 109.193 108.800 0.041 0.000 2.159 245 G HA2 -0.220 3.553 3.960 -0.311 0.000 0.256 245 G HA3 -0.220 3.553 3.960 -0.311 0.000 0.256 245 G C -0.265 174.658 174.900 0.038 0.000 0.977 245 G CA 0.013 45.134 45.100 0.036 0.000 0.652 245 G HN 0.319 nan 8.290 nan 0.000 0.531 246 Q N -0.280 119.549 119.800 0.048 0.000 2.288 246 Q HA 0.434 4.587 4.340 -0.311 0.000 0.258 246 Q C 1.365 177.394 176.000 0.048 0.000 0.957 246 Q CA -0.304 55.526 55.803 0.044 0.000 0.919 246 Q CB 1.602 30.368 28.738 0.047 0.000 1.185 246 Q HN 0.367 nan 8.270 nan 0.000 0.408 247 R N 3.181 123.701 120.500 0.034 0.000 2.062 247 R HA -0.063 4.090 4.340 -0.311 0.000 0.229 247 R C 1.878 178.194 176.300 0.027 0.000 1.128 247 R CA 1.988 58.105 56.100 0.028 0.000 0.960 247 R CB -0.934 29.375 30.300 0.015 0.000 0.855 247 R HN 0.802 nan 8.270 nan 0.000 0.432 248 G N 0.384 109.198 108.800 0.023 0.000 2.491 248 G HA2 -0.394 3.380 3.960 -0.311 0.000 0.218 248 G HA3 -0.394 3.380 3.960 -0.311 0.000 0.218 248 G C 1.365 176.296 174.900 0.053 0.000 1.180 248 G CA 0.962 46.076 45.100 0.024 0.000 0.774 248 G HN 0.560 nan 8.290 nan 0.000 0.562 249 Q N -0.115 119.718 119.800 0.056 0.000 2.084 249 Q HA -0.050 4.103 4.340 -0.311 0.000 0.202 249 Q C 2.562 178.567 176.000 0.007 0.000 0.978 249 Q CA 1.160 56.991 55.803 0.047 0.000 0.844 249 Q CB -0.250 28.526 28.738 0.065 0.000 0.898 249 Q HN 0.533 nan 8.270 nan 0.000 0.426 250 I N 1.533 122.132 120.570 0.048 0.000 2.127 250 I HA -0.314 3.669 4.170 -0.311 0.000 0.241 250 I C 1.748 177.888 176.117 0.039 0.000 1.075 250 I CA 1.626 62.964 61.300 0.063 0.000 1.334 250 I CB -0.248 37.800 38.000 0.080 0.000 1.040 250 I HN 0.255 nan 8.210 nan 0.000 0.405 251 D N -0.047 120.376 120.400 0.038 0.000 2.178 251 D HA -0.132 4.321 4.640 -0.311 0.000 0.201 251 D C 2.216 178.547 176.300 0.053 0.000 0.980 251 D CA 1.394 55.415 54.000 0.035 0.000 0.842 251 D CB -0.337 40.472 40.800 0.016 0.000 0.948 251 D HN 0.313 nan 8.370 nan 0.000 0.472 252 T N 0.588 115.190 114.554 0.080 0.000 2.737 252 T HA -0.070 4.094 4.350 -0.311 0.000 0.265 252 T C 2.060 176.840 174.700 0.134 0.000 1.038 252 T CA 1.395 63.570 62.100 0.126 0.000 1.144 252 T CB -0.281 68.704 68.868 0.196 0.000 0.866 252 T HN 0.179 nan 8.240 nan 0.000 0.434 253 A N 1.749 124.616 122.820 0.078 0.000 1.892 253 A HA 0.017 4.150 4.320 -0.311 0.000 0.218 253 A C 2.669 180.351 177.584 0.164 0.000 1.188 253 A CA 2.134 54.236 52.037 0.109 0.000 0.631 253 A CB -1.297 17.443 19.000 -0.434 0.000 0.822 253 A HN 0.514 nan 8.150 nan 0.000 0.447 254 A N -1.019 121.855 122.820 0.090 0.000 1.892 254 A HA -0.254 3.880 4.320 -0.311 0.000 0.218 254 A C 2.349 179.954 177.584 0.035 0.000 1.188 254 A CA 1.896 53.978 52.037 0.075 0.000 0.631 254 A CB -1.453 17.579 19.000 0.053 0.000 0.822 254 A HN 0.634 nan 8.150 nan 0.000 0.447 255 C N -2.093 117.201 119.300 -0.010 0.000 2.413 255 C HA -0.097 4.176 4.460 -0.311 0.000 0.276 255 C C 2.431 177.318 174.990 -0.172 0.000 1.248 255 C CA 0.972 59.926 59.018 -0.106 0.000 1.742 255 C CB -1.682 25.958 27.740 -0.167 0.000 2.017 255 C HN 0.617 nan 8.230 nan 0.000 0.481 256 F N 1.197 121.056 119.950 -0.153 0.000 2.102 256 F HA -0.095 4.245 4.527 -0.313 0.000 0.298 256 F C 2.596 178.226 175.800 -0.283 0.000 1.105 256 F CA 1.526 59.324 58.000 -0.336 0.000 1.239 256 F CB -0.654 37.973 39.000 -0.621 0.000 0.991 256 F HN 0.160 nan 8.300 nan 0.000 0.474 257 R N -0.139 120.396 120.500 0.059 0.000 2.096 257 R HA -0.190 3.963 4.340 -0.311 0.000 0.235 257 R C 2.058 178.369 176.300 0.018 0.000 1.127 257 R CA 1.511 57.643 56.100 0.053 0.000 0.968 257 R CB -0.779 29.588 30.300 0.112 0.000 0.861 257 R HN 0.354 nan 8.270 nan 0.000 0.440 258 D N 0.717 121.118 120.400 0.002 0.000 2.117 258 D HA -0.162 4.291 4.640 -0.311 0.000 0.197 258 D C 1.681 177.964 176.300 -0.028 0.000 0.987 258 D CA 1.135 55.128 54.000 -0.013 0.000 0.829 258 D CB 0.264 41.048 40.800 -0.026 0.000 0.961 258 D HN 0.080 nan 8.370 nan 0.000 0.460 259 L N 0.260 121.451 121.223 -0.054 0.000 2.131 259 L HA 0.018 4.171 4.340 -0.311 0.000 0.206 259 L C 2.446 179.299 176.870 -0.029 0.000 1.087 259 L CA 0.692 55.498 54.840 -0.056 0.000 0.767 259 L CB -0.248 41.751 42.059 -0.102 0.000 0.917 259 L HN 0.076 nan 8.230 nan 0.000 0.441 260 L N -1.575 119.631 121.223 -0.027 0.000 2.307 260 L HA 0.286 4.440 4.340 -0.311 0.000 0.211 260 L C 1.163 178.039 176.870 0.009 0.000 1.099 260 L CA 0.368 55.201 54.840 -0.012 0.000 0.816 260 L CB -0.582 41.452 42.059 -0.041 0.000 0.952 260 L HN 0.379 nan 8.230 nan 0.000 0.455 261 G N 0.487 109.294 108.800 0.012 0.000 2.888 261 G HA2 -0.293 3.481 3.960 -0.311 0.000 0.441 261 G HA3 -0.293 3.481 3.960 -0.311 0.000 0.441 261 G C -0.162 174.760 174.900 0.038 0.000 1.461 261 G CA 0.009 45.122 45.100 0.023 0.000 0.897 261 G HN 0.254 nan 8.290 nan 0.000 0.547 262 D N 0.019 120.442 120.400 0.038 0.000 2.218 262 D HA 0.244 4.698 4.640 -0.311 0.000 0.204 262 D C 1.671 177.994 176.300 0.039 0.000 0.976 262 D CA 2.379 56.405 54.000 0.045 0.000 0.853 262 D CB 0.015 40.836 40.800 0.035 0.000 0.939 262 D HN 1.318 nan 8.370 nan 0.000 0.481 263 S N -2.237 113.478 115.700 0.025 0.000 2.611 263 S HA 0.557 4.840 4.470 -0.311 0.000 0.270 263 S C -0.992 173.611 174.600 0.005 0.000 1.131 263 S CA -0.833 57.373 58.200 0.011 0.000 0.826 263 S CB 1.347 64.542 63.200 -0.008 0.000 1.095 263 S HN 0.087 nan 8.310 nan 0.000 0.461 264 S N -0.269 115.427 115.700 -0.007 0.000 2.661 264 S HA 0.591 4.874 4.470 -0.311 0.000 0.285 264 S C 0.681 175.271 174.600 -0.016 0.000 1.138 264 S CA -0.264 57.935 58.200 -0.001 0.000 0.855 264 S CB 1.571 64.782 63.200 0.018 0.000 1.136 264 S HN 0.998 nan 8.310 nan 0.000 0.484 265 E N 0.399 120.596 120.200 -0.004 0.000 2.033 265 E HA -0.173 3.990 4.350 -0.311 0.000 0.199 265 E C 1.671 178.265 176.600 -0.010 0.000 1.011 265 E CA 2.010 58.405 56.400 -0.007 0.000 0.815 265 E CB -0.416 29.287 29.700 0.006 0.000 0.755 265 E HN 0.491 nan 8.360 nan 0.000 0.451 266 V N 1.171 121.093 119.914 0.014 0.000 2.222 266 V HA -0.379 3.555 4.120 -0.311 0.000 0.252 266 V C 2.711 178.816 176.094 0.019 0.000 1.060 266 V CA 2.505 64.828 62.300 0.039 0.000 1.027 266 V CB -0.940 30.922 31.823 0.066 0.000 0.644 266 V HN 0.571 nan 8.190 nan 0.000 0.448 267 S N -0.607 115.079 115.700 -0.023 0.000 2.382 267 S HA -0.132 4.151 4.470 -0.311 0.000 0.228 267 S C 1.948 176.231 174.600 -0.529 0.000 1.027 267 S CA 1.681 59.762 58.200 -0.197 0.000 0.991 267 S CB -0.590 62.580 63.200 -0.049 0.000 0.823 267 S HN 0.513 nan 8.310 nan 0.000 0.469 268 L N 1.291 122.371 121.223 -0.237 0.000 2.275 268 L HA 0.039 4.192 4.340 -0.311 0.000 0.215 268 L C 2.248 179.022 176.870 -0.161 0.000 1.119 268 L CA 0.996 55.723 54.840 -0.189 0.000 0.790 268 L CB -0.424 41.583 42.059 -0.087 0.000 0.919 268 L HN 0.368 nan 8.230 nan 0.000 0.443 269 S N -1.815 113.814 115.700 -0.118 0.000 2.603 269 S HA -0.023 4.260 4.470 -0.311 0.000 0.220 269 S C 0.530 175.142 174.600 0.020 0.000 0.967 269 S CA -0.140 58.041 58.200 -0.032 0.000 0.920 269 S CB -0.449 62.756 63.200 0.008 0.000 0.773 269 S HN 0.492 nan 8.310 nan 0.000 0.529 270 H N 0.406 119.488 119.070 0.019 0.000 2.581 270 H HA 0.436 4.805 4.556 -0.311 0.000 0.308 270 H C 0.565 175.903 175.328 0.016 0.000 1.040 270 H CA -0.743 55.316 56.048 0.018 0.000 1.231 270 H CB 0.748 30.523 29.762 0.020 0.000 1.396 270 H HN -0.196 nan 8.280 nan 0.000 0.467 271 K N 2.632 123.115 120.400 0.137 0.000 2.108 271 K HA -0.312 3.821 4.320 -0.311 0.000 0.217 271 K C 0.394 177.050 176.600 0.093 0.000 0.846 271 K CA 1.873 58.212 56.287 0.087 0.000 1.014 271 K CB -0.304 32.242 32.500 0.078 0.000 0.896 271 K HN 0.756 nan 8.250 nan 0.000 0.552 272 N N -2.026 116.773 118.700 0.165 0.000 2.653 272 N HA 0.376 4.929 4.740 -0.311 0.000 0.294 272 N C -0.859 174.828 175.510 0.295 0.000 1.305 272 N CA 0.100 53.239 53.050 0.149 0.000 0.827 272 N CB 1.896 40.435 38.487 0.086 0.000 1.415 272 N HN 0.244 nan 8.380 nan 0.000 0.546 273 A N 0.207 123.143 122.820 0.193 0.000 2.676 273 A HA 0.297 4.431 4.320 -0.311 0.000 0.297 273 A C -0.507 177.142 177.584 0.108 0.000 1.132 273 A CA -0.194 51.990 52.037 0.245 0.000 0.972 273 A CB 0.118 19.242 19.000 0.208 0.000 1.197 273 A HN 0.565 nan 8.150 nan 0.000 0.524 274 D N -0.415 120.024 120.400 0.064 0.000 3.054 274 D HA 0.159 4.613 4.640 -0.311 0.000 0.209 274 D C 0.617 176.918 176.300 0.003 0.000 1.527 274 D CA 0.214 54.228 54.000 0.024 0.000 1.427 274 D CB -0.190 40.622 40.800 0.020 0.000 1.059 274 D HN 0.133 nan 8.370 nan 0.000 0.243 275 K N 0.103 120.506 120.400 0.005 0.000 2.469 275 K HA -0.234 3.899 4.320 -0.311 0.000 0.121 275 K C 0.315 176.905 176.600 -0.018 0.000 1.360 275 K CA 0.716 56.999 56.287 -0.007 0.000 0.739 275 K CB -1.139 31.355 32.500 -0.009 0.000 0.492 275 K HN 0.144 nan 8.250 nan 0.000 1.030 276 V N 2.046 121.945 119.914 -0.026 0.000 2.902 276 V HA -0.156 3.777 4.120 -0.311 0.000 0.297 276 V C 0.602 176.676 176.094 -0.033 0.000 1.230 276 V CA 0.629 62.910 62.300 -0.032 0.000 1.344 276 V CB 0.859 32.658 31.823 -0.040 0.000 0.889 276 V HN 0.461 nan 8.190 nan 0.000 0.515 277 Q N 3.916 123.699 119.800 -0.029 0.000 2.395 277 Q HA 0.151 4.304 4.340 -0.311 0.000 0.271 277 Q C -0.223 175.760 176.000 -0.028 0.000 1.026 277 Q CA 0.350 56.139 55.803 -0.023 0.000 0.900 277 Q CB 0.393 29.125 28.738 -0.009 0.000 1.266 277 Q HN 0.747 nan 8.270 nan 0.000 0.430 278 D N 3.251 123.637 120.400 -0.023 0.000 2.313 278 D HA 0.269 4.723 4.640 -0.311 0.000 0.247 278 D C -2.161 174.144 176.300 0.009 0.000 1.094 278 D CA -1.333 52.655 54.000 -0.019 0.000 0.925 278 D CB 0.474 41.257 40.800 -0.028 0.000 1.188 278 D HN 0.297 nan 8.370 nan 0.000 0.430 279 P HA 0.018 nan 4.420 nan 0.000 0.275 279 P C 0.841 178.218 177.300 0.128 0.000 1.228 279 P CA -0.280 62.816 63.100 -0.006 0.000 0.786 279 P CB 0.393 32.066 31.700 -0.045 0.000 0.927 280 Y N 0.997 121.274 120.300 -0.039 0.000 2.133 280 Y HA -0.282 4.080 4.550 -0.313 0.000 0.279 280 Y C 2.593 178.476 175.900 -0.028 0.000 1.209 280 Y CA 2.044 60.123 58.100 -0.035 0.000 1.152 280 Y CB -2.127 36.320 38.460 -0.022 0.000 0.961 280 Y HN 0.404 nan 8.280 nan 0.000 0.512 281 S N -0.630 115.162 115.700 0.153 0.000 2.469 281 S HA -0.109 4.174 4.470 -0.311 0.000 0.238 281 S C 1.823 176.458 174.600 0.058 0.000 0.998 281 S CA 1.089 59.342 58.200 0.088 0.000 0.957 281 S CB -0.525 62.712 63.200 0.060 0.000 0.764 281 S HN 0.455 nan 8.310 nan 0.000 0.514 282 L N -0.322 120.928 121.223 0.045 0.000 2.356 282 L HA 0.329 4.483 4.340 -0.311 0.000 0.193 282 L C 2.955 179.794 176.870 -0.051 0.000 1.087 282 L CA 0.576 55.426 54.840 0.016 0.000 0.817 282 L CB -0.502 41.565 42.059 0.014 0.000 1.035 282 L HN 0.221 nan 8.230 nan 0.000 0.482 283 R N -0.116 120.346 120.500 -0.064 0.000 2.105 283 R HA -0.133 4.020 4.340 -0.311 0.000 0.239 283 R C 1.754 177.950 176.300 -0.172 0.000 1.135 283 R CA 1.612 57.617 56.100 -0.159 0.000 0.967 283 R CB -0.200 30.063 30.300 -0.062 0.000 0.861 283 R HN 0.386 nan 8.270 nan 0.000 0.442 284 C N 0.313 119.562 119.300 -0.085 0.000 2.688 284 C HA 0.229 4.502 4.460 -0.311 0.000 0.297 284 C C 1.674 176.653 174.990 -0.018 0.000 1.308 284 C CA -0.647 58.321 59.018 -0.083 0.000 1.726 284 C CB -0.598 27.067 27.740 -0.124 0.000 1.982 284 C HN 0.564 nan 8.230 nan 0.000 0.604 285 Q N 1.935 121.727 119.800 -0.014 0.000 2.112 285 Q HA -0.183 3.970 4.340 -0.311 0.000 0.206 285 Q C -0.477 175.623 176.000 0.167 0.000 0.987 285 Q CA 1.913 57.761 55.803 0.075 0.000 0.858 285 Q CB -0.706 28.032 28.738 -0.001 0.000 0.905 285 Q HN 0.506 nan 8.270 nan 0.000 0.420 286 P HA -0.158 nan 4.420 nan 0.000 0.216 286 P C 0.856 178.216 177.300 0.099 0.000 1.153 286 P CA 1.297 64.482 63.100 0.143 0.000 0.848 286 P CB 0.046 31.704 31.700 -0.069 0.000 0.787 287 Q N -0.832 119.009 119.800 0.070 0.000 2.050 287 Q HA -0.103 4.051 4.340 -0.311 0.000 0.202 287 Q C 2.180 178.215 176.000 0.060 0.000 0.980 287 Q CA 1.429 57.265 55.803 0.054 0.000 0.840 287 Q CB -1.294 27.450 28.738 0.010 0.000 0.898 287 Q HN 0.083 nan 8.270 nan 0.000 0.424 288 V N -0.405 119.549 119.914 0.066 0.000 2.300 288 V HA -0.165 3.769 4.120 -0.311 0.000 0.241 288 V C 1.958 178.116 176.094 0.106 0.000 1.034 288 V CA 1.223 63.566 62.300 0.072 0.000 1.021 288 V CB -0.316 31.545 31.823 0.064 0.000 0.662 288 V HN 0.408 nan 8.190 nan 0.000 0.458 289 M N 0.441 120.124 119.600 0.138 0.000 2.213 289 M HA -0.088 4.205 4.480 -0.311 0.000 0.263 289 M C 2.234 178.677 176.300 0.239 0.000 1.062 289 M CA 1.898 57.303 55.300 0.175 0.000 1.105 289 M CB -1.805 30.882 32.600 0.144 0.000 1.385 289 M HN 0.446 nan 8.290 nan 0.000 0.417 290 G N -0.252 108.657 108.800 0.181 0.000 2.418 290 G HA2 -0.067 3.707 3.960 -0.311 0.000 0.217 290 G HA3 -0.067 3.707 3.960 -0.311 0.000 0.217 290 G C 1.656 176.617 174.900 0.102 0.000 1.158 290 G CA 1.104 46.289 45.100 0.142 0.000 0.771 290 G HN 0.541 nan 8.290 nan 0.000 0.545 291 A N -0.092 122.781 122.820 0.088 0.000 1.933 291 A HA -0.056 4.077 4.320 -0.311 0.000 0.218 291 A C 2.551 180.175 177.584 0.066 0.000 1.175 291 A CA 1.720 53.795 52.037 0.063 0.000 0.628 291 A CB -0.949 18.082 19.000 0.052 0.000 0.814 291 A HN 0.412 nan 8.150 nan 0.000 0.444 292 C N -1.320 118.040 119.300 0.100 0.000 2.425 292 C HA -0.050 4.223 4.460 -0.311 0.000 0.277 292 C C 2.527 177.563 174.990 0.077 0.000 1.280 292 C CA 1.140 60.224 59.018 0.110 0.000 1.744 292 C CB -1.304 26.538 27.740 0.171 0.000 1.989 292 C HN 0.686 nan 8.230 nan 0.000 0.491 293 L N 0.870 122.133 121.223 0.067 0.000 2.027 293 L HA -0.083 4.071 4.340 -0.311 0.000 0.206 293 L C 2.501 179.323 176.870 -0.079 0.000 1.074 293 L CA 2.182 56.958 54.840 -0.108 0.000 0.745 293 L CB -1.401 40.568 42.059 -0.151 0.000 0.898 293 L HN 0.249 nan 8.230 nan 0.000 0.433 294 T N -0.490 114.050 114.554 -0.023 0.000 2.607 294 T HA -0.243 3.920 4.350 -0.311 0.000 0.267 294 T C 1.835 176.527 174.700 -0.014 0.000 1.049 294 T CA 1.776 63.867 62.100 -0.015 0.000 1.162 294 T CB -0.224 68.647 68.868 0.005 0.000 0.863 294 T HN 0.365 nan 8.240 nan 0.000 0.424 295 Q N 0.727 120.527 119.800 0.001 0.000 2.062 295 Q HA -0.147 4.007 4.340 -0.311 0.000 0.209 295 Q C 2.533 178.528 176.000 -0.007 0.000 0.996 295 Q CA 1.552 57.357 55.803 0.004 0.000 0.859 295 Q CB -0.904 27.846 28.738 0.019 0.000 0.920 295 Q HN 0.662 nan 8.270 nan 0.000 0.415 296 L N -1.483 119.731 121.223 -0.015 0.000 2.362 296 L HA 0.008 4.161 4.340 -0.311 0.000 0.219 296 L C 2.057 178.905 176.870 -0.036 0.000 1.134 296 L CA 1.434 56.260 54.840 -0.022 0.000 0.807 296 L CB -0.410 41.636 42.059 -0.023 0.000 0.927 296 L HN -0.053 nan 8.230 nan 0.000 0.447 297 R N -0.304 120.167 120.500 -0.048 0.000 2.093 297 R HA -0.026 4.128 4.340 -0.311 0.000 0.224 297 R C 2.336 178.620 176.300 -0.026 0.000 1.101 297 R CA 1.412 57.485 56.100 -0.044 0.000 0.979 297 R CB -0.272 29.997 30.300 -0.052 0.000 0.877 297 R HN 0.551 nan 8.270 nan 0.000 0.441 298 Q N 0.055 119.842 119.800 -0.021 0.000 2.050 298 Q HA -0.113 4.041 4.340 -0.311 0.000 0.202 298 Q C 2.196 178.187 176.000 -0.015 0.000 0.980 298 Q CA 1.741 57.535 55.803 -0.015 0.000 0.840 298 Q CB -0.136 28.595 28.738 -0.011 0.000 0.898 298 Q HN 0.330 nan 8.270 nan 0.000 0.424 299 A N 1.082 123.893 122.820 -0.016 0.000 1.883 299 A HA -0.184 3.950 4.320 -0.311 0.000 0.217 299 A C 2.316 179.886 177.584 -0.022 0.000 1.186 299 A CA 1.718 53.744 52.037 -0.018 0.000 0.624 299 A CB -1.016 17.973 19.000 -0.019 0.000 0.822 299 A HN 0.423 nan 8.150 nan 0.000 0.444 300 A N 0.501 123.309 122.820 -0.020 0.000 1.917 300 A HA -0.220 3.913 4.320 -0.311 0.000 0.219 300 A C 1.940 179.519 177.584 -0.008 0.000 1.182 300 A CA 2.371 54.401 52.037 -0.012 0.000 0.633 300 A CB -0.613 18.385 19.000 -0.002 0.000 0.819 300 A HN 0.777 nan 8.150 nan 0.000 0.448 301 E N 0.119 120.312 120.200 -0.011 0.000 2.031 301 E HA -0.143 4.021 4.350 -0.311 0.000 0.193 301 E C 1.630 178.224 176.600 -0.010 0.000 0.994 301 E CA 1.984 58.379 56.400 -0.009 0.000 0.800 301 E CB -0.930 28.764 29.700 -0.011 0.000 0.752 301 E HN 0.213 nan 8.360 nan 0.000 0.447 302 V N 1.019 120.925 119.914 -0.014 0.000 2.255 302 V HA -0.273 3.660 4.120 -0.311 0.000 0.247 302 V C 2.665 178.749 176.094 -0.016 0.000 1.051 302 V CA 2.127 64.418 62.300 -0.015 0.000 1.018 302 V CB -0.643 31.171 31.823 -0.016 0.000 0.641 302 V HN 0.316 nan 8.190 nan 0.000 0.445 303 L N 0.323 121.533 121.223 -0.022 0.000 2.131 303 L HA -0.070 4.083 4.340 -0.311 0.000 0.210 303 L C 2.609 179.470 176.870 -0.016 0.000 1.092 303 L CA 1.571 56.393 54.840 -0.030 0.000 0.759 303 L CB -1.037 40.988 42.059 -0.056 0.000 0.903 303 L HN 0.479 nan 8.230 nan 0.000 0.435 304 G N 0.101 108.899 108.800 -0.004 0.000 2.422 304 G HA2 -0.211 3.562 3.960 -0.311 0.000 0.218 304 G HA3 -0.211 3.562 3.960 -0.311 0.000 0.218 304 G C 1.495 176.400 174.900 0.008 0.000 1.146 304 G CA 0.394 45.501 45.100 0.011 0.000 0.769 304 G HN 0.137 nan 8.290 nan 0.000 0.547 305 I N 0.995 121.565 120.570 -0.000 0.000 2.202 305 I HA -0.050 3.933 4.170 -0.311 0.000 0.242 305 I C 2.512 178.628 176.117 -0.003 0.000 1.091 305 I CA 1.047 62.345 61.300 -0.003 0.000 1.368 305 I CB -0.985 37.010 38.000 -0.009 0.000 1.058 305 I HN 0.189 nan 8.210 nan 0.000 0.410 306 E N 1.305 121.501 120.200 -0.006 0.000 2.153 306 E HA -0.137 4.027 4.350 -0.311 0.000 0.194 306 E C 2.182 178.783 176.600 0.001 0.000 0.988 306 E CA 1.392 57.788 56.400 -0.006 0.000 0.811 306 E CB -0.178 29.515 29.700 -0.011 0.000 0.746 306 E HN 0.388 nan 8.360 nan 0.000 0.466 307 A N 0.337 123.160 122.820 0.005 0.000 2.070 307 A HA -0.131 4.003 4.320 -0.311 0.000 0.220 307 A C 1.650 179.248 177.584 0.024 0.000 1.159 307 A CA 1.487 53.533 52.037 0.016 0.000 0.656 307 A CB -0.277 18.738 19.000 0.024 0.000 0.800 307 A HN 0.202 nan 8.150 nan 0.000 0.453 308 N N -0.496 118.217 118.700 0.021 0.000 2.203 308 N HA 0.264 4.817 4.740 -0.311 0.000 0.207 308 N C 0.235 175.758 175.510 0.022 0.000 1.130 308 N CA 0.618 53.684 53.050 0.027 0.000 0.861 308 N CB 0.312 38.816 38.487 0.027 0.000 1.005 308 N HN 0.419 nan 8.380 nan 0.000 0.507 309 A N 0.577 123.404 122.820 0.011 0.000 2.371 309 A HA 0.313 4.447 4.320 -0.311 0.000 0.257 309 A C 0.449 178.037 177.584 0.007 0.000 1.089 309 A CA -0.235 51.801 52.037 -0.002 0.000 0.794 309 A CB 0.585 19.581 19.000 -0.007 0.000 1.029 309 A HN -0.006 nan 8.150 nan 0.000 0.488 310 V N 3.348 123.252 119.914 -0.017 0.000 2.326 310 V HA 0.126 4.059 4.120 -0.311 0.000 0.249 310 V C 1.033 177.133 176.094 0.010 0.000 1.114 310 V CA 0.891 63.189 62.300 -0.003 0.000 1.028 310 V CB -0.035 31.742 31.823 -0.077 0.000 1.170 310 V HN 1.001 nan 8.190 nan 0.000 0.494 311 S N 1.250 116.973 115.700 0.039 0.000 2.575 311 S HA 0.163 4.446 4.470 -0.311 0.000 0.237 311 S C 0.342 175.008 174.600 0.110 0.000 0.975 311 S CA -0.695 57.541 58.200 0.061 0.000 0.960 311 S CB -0.182 63.050 63.200 0.054 0.000 0.822 311 S HN 0.807 nan 8.310 nan 0.000 0.472 312 D N 1.274 121.734 120.400 0.099 0.000 2.539 312 D HA 0.468 4.921 4.640 -0.311 0.000 0.280 312 D C -0.448 175.950 176.300 0.163 0.000 1.208 312 D CA -0.682 53.388 54.000 0.117 0.000 1.088 312 D CB 0.251 41.090 40.800 0.064 0.000 1.149 312 D HN 0.210 nan 8.370 nan 0.000 0.596 313 N N -1.213 117.570 118.700 0.138 0.000 2.710 313 N HA 0.298 4.851 4.740 -0.311 0.000 0.257 313 N C -2.973 172.602 175.510 0.108 0.000 1.140 313 N CA -0.985 52.169 53.050 0.174 0.000 0.953 313 N CB 2.289 40.983 38.487 0.345 0.000 1.664 313 N HN 0.070 nan 8.380 nan 0.000 0.497 314 P HA 0.311 nan 4.420 nan 0.000 0.276 314 P C -0.779 176.530 177.300 0.015 0.000 1.261 314 P CA -0.387 62.779 63.100 0.110 0.000 0.800 314 P CB 0.988 32.763 31.700 0.125 0.000 1.066 315 L N 0.109 121.307 121.223 -0.042 0.000 2.343 315 L HA 0.513 4.666 4.340 -0.311 0.000 0.275 315 L C 0.045 176.594 176.870 -0.535 0.000 1.056 315 L CA -1.200 53.506 54.840 -0.223 0.000 0.804 315 L CB 1.238 43.177 42.059 -0.201 0.000 1.203 315 L HN 0.055 nan 8.230 nan 0.000 0.440 316 V N 2.158 121.757 119.914 -0.524 0.000 2.417 316 V HA 0.331 4.265 4.120 -0.311 0.000 0.291 316 V C -0.675 175.075 176.094 -0.573 0.000 1.024 316 V CA -0.284 61.728 62.300 -0.481 0.000 0.861 316 V CB 1.380 33.083 31.823 -0.201 0.000 0.985 316 V HN 0.406 nan 8.190 nan 0.000 0.436 317 F N 3.286 123.299 119.950 0.106 0.000 2.334 317 F HA 0.526 4.866 4.527 -0.312 0.000 0.343 317 F C 1.381 177.184 175.800 0.006 0.000 1.136 317 F CA -0.646 57.401 58.000 0.078 0.000 1.237 317 F CB 0.628 39.710 39.000 0.137 0.000 1.525 317 F HN 0.588 nan 8.300 nan 0.000 0.528 318 A N 1.693 124.541 122.820 0.046 0.000 1.997 318 A HA -0.179 3.954 4.320 -0.311 0.000 0.221 318 A C 2.418 180.021 177.584 0.033 0.000 1.172 318 A CA 2.122 54.163 52.037 0.007 0.000 0.645 318 A CB -0.652 18.315 19.000 -0.054 0.000 0.813 318 A HN 0.649 nan 8.150 nan 0.000 0.454 319 A N -0.758 122.095 122.820 0.054 0.000 1.969 319 A HA -0.070 4.063 4.320 -0.311 0.000 0.218 319 A C 1.795 179.411 177.584 0.054 0.000 1.169 319 A CA 1.832 53.895 52.037 0.043 0.000 0.635 319 A CB -0.244 18.783 19.000 0.045 0.000 0.810 319 A HN 0.550 nan 8.150 nan 0.000 0.445 320 E N -2.257 117.997 120.200 0.090 0.000 2.511 320 E HA 0.350 4.513 4.350 -0.311 0.000 0.209 320 E C 1.023 177.670 176.600 0.078 0.000 0.986 320 E CA 0.572 57.018 56.400 0.078 0.000 0.974 320 E CB 0.443 30.194 29.700 0.085 0.000 1.030 320 E HN 0.664 nan 8.360 nan 0.000 0.490 321 G N 1.318 110.170 108.800 0.085 0.000 2.143 321 G HA2 -0.229 3.545 3.960 -0.311 0.000 0.248 321 G HA3 -0.229 3.545 3.960 -0.311 0.000 0.248 321 G C -0.536 174.412 174.900 0.079 0.000 0.991 321 G CA 0.151 45.288 45.100 0.062 0.000 0.689 321 G HN 0.178 nan 8.290 nan 0.000 0.522 322 D N -0.112 120.373 120.400 0.141 0.000 2.255 322 D HA 0.533 4.986 4.640 -0.311 0.000 0.249 322 D C 0.276 176.658 176.300 0.137 0.000 1.078 322 D CA -0.020 54.085 54.000 0.175 0.000 0.896 322 D CB 2.012 42.982 40.800 0.284 0.000 1.194 322 D HN 0.135 nan 8.370 nan 0.000 0.429 323 V N 3.346 123.315 119.914 0.091 0.000 2.407 323 V HA 0.451 4.384 4.120 -0.311 0.000 0.291 323 V C 0.055 176.204 176.094 0.093 0.000 1.018 323 V CA -0.690 61.627 62.300 0.029 0.000 0.842 323 V CB 1.282 33.107 31.823 0.004 0.000 0.996 323 V HN 0.338 nan 8.190 nan 0.000 0.426 324 I N 3.019 123.651 120.570 0.103 0.000 2.545 324 I HA 0.499 4.482 4.170 -0.311 0.000 0.292 324 I C 0.086 176.298 176.117 0.159 0.000 1.040 324 I CA -0.248 61.159 61.300 0.178 0.000 1.068 324 I CB 2.346 40.537 38.000 0.319 0.000 1.251 324 I HN 0.567 nan 8.210 nan 0.000 0.424 325 S N 3.462 119.262 115.700 0.166 0.000 2.429 325 S HA 0.809 5.093 4.470 -0.311 0.000 0.302 325 S C 0.001 174.697 174.600 0.161 0.000 1.115 325 S CA -0.249 58.067 58.200 0.193 0.000 1.095 325 S CB 0.523 63.846 63.200 0.205 0.000 0.987 325 S HN 0.831 nan 8.310 nan 0.000 0.474 326 G N 2.391 111.296 108.800 0.174 0.000 3.234 326 G HA2 0.637 4.411 3.960 -0.311 0.000 0.159 326 G HA3 0.637 4.411 3.960 -0.311 0.000 0.159 326 G C 0.263 175.200 174.900 0.061 0.000 1.175 326 G CA -0.252 44.907 45.100 0.098 0.000 0.900 326 G HN 1.076 nan 8.290 nan 0.000 0.621 327 G N -0.480 108.217 108.800 -0.172 0.000 5.129 327 G HA2 0.158 3.931 3.960 -0.311 0.000 0.253 327 G HA3 0.158 3.931 3.960 -0.311 0.000 0.253 327 G C 0.408 174.812 174.900 -0.827 0.000 0.912 327 G CA -0.081 44.557 45.100 -0.769 0.000 0.729 327 G HN 0.266 nan 8.290 nan 0.000 0.373 328 N N 1.000 119.499 118.700 -0.335 0.000 2.513 328 N HA -0.091 4.463 4.740 -0.311 0.000 0.187 328 N C 1.671 177.114 175.510 -0.110 0.000 1.056 328 N CA 0.683 53.637 53.050 -0.161 0.000 0.907 328 N CB -0.329 38.139 38.487 -0.032 0.000 0.954 328 N HN 0.654 nan 8.380 nan 0.000 0.445 329 F N -1.151 118.841 119.950 0.071 0.000 2.802 329 F HA 0.152 4.492 4.527 -0.312 0.000 0.300 329 F C 0.877 176.713 175.800 0.059 0.000 1.168 329 F CA -0.136 57.892 58.000 0.047 0.000 1.433 329 F CB -0.878 38.142 39.000 0.033 0.000 1.115 329 F HN -0.017 nan 8.300 nan 0.000 0.582 330 H N 1.872 120.784 119.070 -0.265 0.000 2.782 330 H HA 0.526 4.894 4.556 -0.313 0.000 0.285 330 H C 0.342 175.648 175.328 -0.038 0.000 1.093 330 H CA -0.318 55.676 56.048 -0.089 0.000 1.410 330 H CB 1.524 31.175 29.762 -0.184 0.000 1.439 330 H HN 0.235 nan 8.280 nan 0.000 0.469 331 A N 4.478 127.379 122.820 0.137 0.000 2.412 331 A HA 0.016 4.149 4.320 -0.311 0.000 0.253 331 A C 1.940 179.620 177.584 0.160 0.000 1.334 331 A CA 0.080 52.179 52.037 0.104 0.000 0.929 331 A CB -0.331 18.677 19.000 0.013 0.000 0.983 331 A HN 0.800 nan 8.150 nan 0.000 0.508 332 E N 1.769 122.184 120.200 0.359 0.000 2.065 332 E HA -0.199 3.964 4.350 -0.311 0.000 0.201 332 E C -0.560 176.094 176.600 0.090 0.000 1.016 332 E CA 2.652 59.187 56.400 0.225 0.000 0.818 332 E CB -0.689 29.088 29.700 0.129 0.000 0.749 332 E HN 0.485 nan 8.360 nan 0.000 0.453 333 P HA -0.185 nan 4.420 nan 0.000 0.215 333 P C 1.554 178.861 177.300 0.013 0.000 1.157 333 P CA 1.434 64.543 63.100 0.015 0.000 0.874 333 P CB -0.115 31.585 31.700 0.001 0.000 0.790 334 V N 0.616 120.538 119.914 0.014 0.000 2.343 334 V HA -0.243 3.690 4.120 -0.311 0.000 0.247 334 V C 2.832 178.925 176.094 -0.002 0.000 1.051 334 V CA 2.184 64.482 62.300 -0.003 0.000 1.036 334 V CB -1.770 30.045 31.823 -0.013 0.000 0.654 334 V HN 0.116 nan 8.190 nan 0.000 0.451 335 A N -0.471 122.357 122.820 0.015 0.000 1.865 335 A HA -0.277 3.857 4.320 -0.311 0.000 0.217 335 A C 2.258 179.851 177.584 0.016 0.000 1.191 335 A CA 2.427 54.474 52.037 0.017 0.000 0.623 335 A CB -0.519 18.508 19.000 0.044 0.000 0.826 335 A HN 0.486 nan 8.150 nan 0.000 0.444 336 M N -0.716 118.896 119.600 0.021 0.000 2.159 336 M HA -0.147 4.147 4.480 -0.311 0.000 0.263 336 M C 2.512 178.813 176.300 0.001 0.000 1.063 336 M CA 1.308 56.615 55.300 0.011 0.000 1.110 336 M CB -0.395 32.212 32.600 0.011 0.000 1.374 336 M HN 0.516 nan 8.290 nan 0.000 0.411 337 A N 0.426 123.244 122.820 -0.003 0.000 1.877 337 A HA -0.089 4.044 4.320 -0.311 0.000 0.216 337 A C 2.359 179.936 177.584 -0.012 0.000 1.186 337 A CA 1.954 53.985 52.037 -0.011 0.000 0.620 337 A CB -0.970 18.019 19.000 -0.018 0.000 0.822 337 A HN 0.494 nan 8.150 nan 0.000 0.443 338 A N 0.031 122.843 122.820 -0.014 0.000 1.883 338 A HA -0.221 3.912 4.320 -0.311 0.000 0.217 338 A C 1.813 179.393 177.584 -0.007 0.000 1.186 338 A CA 2.064 54.090 52.037 -0.019 0.000 0.624 338 A CB -0.741 18.238 19.000 -0.035 0.000 0.822 338 A HN 0.446 nan 8.150 nan 0.000 0.444 339 D N -0.082 120.320 120.400 0.003 0.000 2.123 339 D HA -0.133 4.321 4.640 -0.311 0.000 0.196 339 D C 1.749 178.052 176.300 0.005 0.000 0.992 339 D CA 1.224 55.230 54.000 0.010 0.000 0.833 339 D CB -0.385 40.419 40.800 0.006 0.000 0.954 339 D HN 0.363 nan 8.370 nan 0.000 0.455 340 N N 0.232 118.933 118.700 0.002 0.000 2.069 340 N HA -0.108 4.446 4.740 -0.311 0.000 0.191 340 N C 1.932 177.449 175.510 0.012 0.000 1.031 340 N CA 0.525 53.578 53.050 0.004 0.000 0.852 340 N CB -0.489 37.998 38.487 -0.001 0.000 1.018 340 N HN 0.223 nan 8.380 nan 0.000 0.423 341 L N 0.301 121.531 121.223 0.012 0.000 2.265 341 L HA -0.079 4.075 4.340 -0.311 0.000 0.215 341 L C 2.210 179.102 176.870 0.037 0.000 1.117 341 L CA 0.736 55.590 54.840 0.023 0.000 0.782 341 L CB -0.335 41.734 42.059 0.017 0.000 0.914 341 L HN 0.136 nan 8.230 nan 0.000 0.441 342 A N 0.320 123.158 122.820 0.030 0.000 1.902 342 A HA -0.175 3.959 4.320 -0.311 0.000 0.217 342 A C 2.203 179.812 177.584 0.041 0.000 1.181 342 A CA 1.421 53.480 52.037 0.037 0.000 0.623 342 A CB -0.622 18.398 19.000 0.033 0.000 0.818 342 A HN 0.373 nan 8.150 nan 0.000 0.443 343 L N -0.820 120.423 121.223 0.034 0.000 2.046 343 L HA -0.196 3.958 4.340 -0.311 0.000 0.208 343 L C 3.091 179.989 176.870 0.047 0.000 1.077 343 L CA 1.166 56.028 54.840 0.036 0.000 0.747 343 L CB -0.768 41.306 42.059 0.026 0.000 0.896 343 L HN 0.428 nan 8.230 nan 0.000 0.432 344 A N 0.458 123.308 122.820 0.051 0.000 1.877 344 A HA -0.163 3.970 4.320 -0.311 0.000 0.216 344 A C 2.251 179.883 177.584 0.079 0.000 1.186 344 A CA 1.431 53.509 52.037 0.069 0.000 0.620 344 A CB -0.596 18.445 19.000 0.068 0.000 0.822 344 A HN 0.321 nan 8.150 nan 0.000 0.443 345 I N -0.370 120.245 120.570 0.076 0.000 2.286 345 I HA -0.279 3.705 4.170 -0.311 0.000 0.248 345 I C 2.946 179.102 176.117 0.065 0.000 1.115 345 I CA 1.303 62.651 61.300 0.080 0.000 1.392 345 I CB -0.756 37.296 38.000 0.086 0.000 1.065 345 I HN 0.409 nan 8.210 nan 0.000 0.418 346 A N 0.432 123.287 122.820 0.058 0.000 1.855 346 A HA -0.159 3.974 4.320 -0.311 0.000 0.215 346 A C 2.177 179.791 177.584 0.050 0.000 1.191 346 A CA 1.230 53.297 52.037 0.050 0.000 0.613 346 A CB -0.416 18.612 19.000 0.046 0.000 0.829 346 A HN 0.284 nan 8.150 nan 0.000 0.442 347 E N -0.122 120.110 120.200 0.054 0.000 2.268 347 E HA -0.085 4.078 4.350 -0.311 0.000 0.195 347 E C 1.843 178.478 176.600 0.059 0.000 0.995 347 E CA 0.651 57.084 56.400 0.055 0.000 0.836 347 E CB -0.310 29.423 29.700 0.056 0.000 0.763 347 E HN 0.730 nan 8.360 nan 0.000 0.491 348 I N 0.209 120.818 120.570 0.064 0.000 2.353 348 I HA -0.143 3.840 4.170 -0.311 0.000 0.248 348 I C 2.370 178.511 176.117 0.041 0.000 1.119 348 I CA 1.170 62.503 61.300 0.055 0.000 1.417 348 I CB -0.287 37.750 38.000 0.062 0.000 1.078 348 I HN 0.089 nan 8.210 nan 0.000 0.421 349 G N -0.690 108.135 108.800 0.041 0.000 2.422 349 G HA2 -0.245 3.528 3.960 -0.311 0.000 0.218 349 G HA3 -0.245 3.528 3.960 -0.311 0.000 0.218 349 G C 1.758 176.678 174.900 0.033 0.000 1.140 349 G CA 0.934 46.054 45.100 0.033 0.000 0.775 349 G HN 0.355 nan 8.290 nan 0.000 0.545 350 S N -0.269 115.454 115.700 0.039 0.000 2.368 350 S HA -0.058 4.225 4.470 -0.311 0.000 0.224 350 S C 2.286 176.911 174.600 0.042 0.000 1.029 350 S CA 1.235 59.459 58.200 0.039 0.000 0.988 350 S CB -0.235 62.991 63.200 0.043 0.000 0.838 350 S HN 0.203 nan 8.310 nan 0.000 0.462 351 L N 1.229 122.480 121.223 0.047 0.000 2.072 351 L HA 0.087 4.241 4.340 -0.311 0.000 0.205 351 L C 2.575 179.473 176.870 0.046 0.000 1.079 351 L CA 2.065 56.936 54.840 0.052 0.000 0.752 351 L CB -1.085 41.011 42.059 0.062 0.000 0.906 351 L HN 0.364 nan 8.230 nan 0.000 0.436 352 S N -0.935 114.789 115.700 0.039 0.000 2.370 352 S HA -0.239 4.045 4.470 -0.311 0.000 0.226 352 S C 2.086 176.703 174.600 0.028 0.000 1.033 352 S CA 1.480 59.699 58.200 0.032 0.000 1.011 352 S CB -0.462 62.751 63.200 0.023 0.000 0.852 352 S HN 0.587 nan 8.310 nan 0.000 0.457 353 E N 1.031 121.247 120.200 0.027 0.000 2.077 353 E HA -0.137 4.026 4.350 -0.311 0.000 0.193 353 E C 2.099 178.713 176.600 0.024 0.000 0.989 353 E CA 0.915 57.329 56.400 0.023 0.000 0.800 353 E CB -0.222 29.492 29.700 0.024 0.000 0.746 353 E HN 0.353 nan 8.360 nan 0.000 0.452 354 R N 0.349 120.866 120.500 0.029 0.000 2.189 354 R HA -0.005 4.148 4.340 -0.311 0.000 0.223 354 R C 2.377 178.691 176.300 0.023 0.000 1.092 354 R CA 0.599 56.715 56.100 0.027 0.000 0.989 354 R CB -0.411 29.910 30.300 0.034 0.000 0.876 354 R HN 0.230 nan 8.270 nan 0.000 0.457 355 R N -0.005 120.510 120.500 0.026 0.000 2.119 355 R HA 0.077 4.230 4.340 -0.311 0.000 0.222 355 R C 2.298 178.603 176.300 0.008 0.000 1.088 355 R CA 0.746 56.860 56.100 0.023 0.000 0.984 355 R CB -0.193 30.127 30.300 0.034 0.000 0.884 355 R HN 0.162 nan 8.270 nan 0.000 0.447 356 I N 0.071 120.645 120.570 0.006 0.000 2.202 356 I HA -0.290 3.694 4.170 -0.311 0.000 0.242 356 I C 2.619 178.728 176.117 -0.014 0.000 1.091 356 I CA 1.179 62.471 61.300 -0.013 0.000 1.368 356 I CB -0.378 37.618 38.000 -0.007 0.000 1.058 356 I HN 0.115 nan 8.210 nan 0.000 0.410 357 S N 1.039 116.743 115.700 0.006 0.000 2.365 357 S HA -0.245 4.039 4.470 -0.311 0.000 0.225 357 S C 2.089 176.694 174.600 0.008 0.000 1.039 357 S CA 1.819 60.029 58.200 0.016 0.000 1.033 357 S CB -0.479 62.734 63.200 0.023 0.000 0.887 357 S HN 0.343 nan 8.310 nan 0.000 0.447 358 L N 1.494 122.721 121.223 0.006 0.000 1.971 358 L HA -0.125 4.028 4.340 -0.311 0.000 0.215 358 L C 2.517 179.382 176.870 -0.007 0.000 1.072 358 L CA 2.310 57.155 54.840 0.007 0.000 0.758 358 L CB -0.560 41.503 42.059 0.006 0.000 0.889 358 L HN 0.404 nan 8.230 nan 0.000 0.433 359 M N -1.371 118.214 119.600 -0.025 0.000 2.073 359 M HA -0.270 4.023 4.480 -0.311 0.000 0.258 359 M C 2.238 178.488 176.300 -0.083 0.000 1.070 359 M CA 2.043 57.310 55.300 -0.055 0.000 1.103 359 M CB -0.515 32.038 32.600 -0.078 0.000 1.321 359 M HN 0.375 nan 8.290 nan 0.000 0.405 360 M N -0.514 119.042 119.600 -0.074 0.000 2.159 360 M HA -0.078 4.215 4.480 -0.311 0.000 0.263 360 M C 0.532 176.736 176.300 -0.160 0.000 1.063 360 M CA 0.910 56.175 55.300 -0.059 0.000 1.110 360 M CB -1.717 30.915 32.600 0.054 0.000 1.374 360 M HN 0.162 nan 8.290 nan 0.000 0.411 361 D N 1.700 122.024 120.400 -0.126 0.000 2.390 361 D HA -0.034 4.419 4.640 -0.311 0.000 0.236 361 D C 0.634 176.691 176.300 -0.405 0.000 1.189 361 D CA 0.291 54.171 54.000 -0.200 0.000 0.887 361 D CB 0.735 41.566 40.800 0.052 0.000 1.198 361 D HN -0.123 nan 8.370 nan 0.000 0.444 362 K N 2.394 122.332 120.400 -0.770 0.000 3.358 362 K HA 0.008 4.141 4.320 -0.311 0.000 0.297 362 K C -0.286 175.550 176.600 -1.273 0.000 1.064 362 K CA 0.552 56.270 56.287 -0.947 0.000 1.144 362 K CB -0.779 31.238 32.500 -0.804 0.000 1.289 362 K HN 0.549 nan 8.250 nan 0.000 0.372 363 H N -3.078 115.926 119.070 -0.109 0.000 5.297 363 H HA -0.109 4.260 4.556 -0.312 0.000 0.086 363 H C 1.057 176.343 175.328 -0.070 0.000 1.319 363 H CA -0.728 55.273 56.048 -0.078 0.000 0.457 363 H CB -0.546 29.174 29.762 -0.070 0.000 1.612 363 H HN -0.065 nan 8.280 nan 0.000 0.089 364 M N 1.761 121.475 119.600 0.190 0.000 2.488 364 M HA -0.237 4.056 4.480 -0.311 0.000 0.229 364 M C 1.491 177.804 176.300 0.021 0.000 1.147 364 M CA 2.211 57.546 55.300 0.058 0.000 0.972 364 M CB -1.724 30.906 32.600 0.050 0.000 1.338 364 M HN 0.633 nan 8.290 nan 0.000 0.395 365 S N -3.779 111.929 115.700 0.014 0.000 2.918 365 S HA 0.160 4.443 4.470 -0.311 0.000 0.264 365 S C 1.052 175.647 174.600 -0.008 0.000 1.078 365 S CA 0.355 58.551 58.200 -0.007 0.000 0.918 365 S CB 0.847 64.031 63.200 -0.026 0.000 0.882 365 S HN 0.364 nan 8.310 nan 0.000 0.466 366 Q N 0.141 119.934 119.800 -0.012 0.000 2.405 366 Q HA -0.113 4.041 4.340 -0.311 0.000 0.201 366 Q C -0.550 175.440 176.000 -0.016 0.000 0.625 366 Q CA 0.736 56.532 55.803 -0.012 0.000 1.332 366 Q CB -2.001 26.729 28.738 -0.012 0.000 1.199 366 Q HN 0.663 nan 8.270 nan 0.000 0.915 367 L N -0.162 121.046 121.223 -0.026 0.000 2.558 367 L HA 0.677 4.831 4.340 -0.311 0.000 0.260 367 L C -1.870 174.981 176.870 -0.032 0.000 1.130 367 L CA -2.096 52.739 54.840 -0.009 0.000 1.049 367 L CB -0.500 41.568 42.059 0.014 0.000 1.758 367 L HN -0.160 nan 8.230 nan 0.000 0.555 368 P HA 0.022 nan 4.420 nan 0.000 0.265 368 P C -2.232 175.023 177.300 -0.076 0.000 1.187 368 P CA -0.642 62.468 63.100 0.017 0.000 0.766 368 P CB -0.222 31.545 31.700 0.112 0.000 0.820 369 P HA -0.082 nan 4.420 nan 0.000 0.231 369 P C -0.099 176.632 177.300 -0.949 0.000 1.154 369 P CA 1.513 64.308 63.100 -0.508 0.000 0.762 369 P CB -0.244 31.227 31.700 -0.381 0.000 0.790 370 F N -4.702 115.272 119.950 0.039 0.000 3.146 370 F HA 0.200 4.540 4.527 -0.312 0.000 0.395 370 F C 1.383 177.294 175.800 0.185 0.000 1.103 370 F CA -0.182 57.876 58.000 0.096 0.000 0.950 370 F CB 0.610 39.687 39.000 0.128 0.000 1.495 370 F HN -0.367 nan 8.300 nan 0.000 0.521 371 L N -2.194 119.211 121.223 0.303 0.000 2.057 371 L HA -0.287 3.866 4.340 -0.311 0.000 0.489 371 L C 1.460 178.589 176.870 0.432 0.000 0.713 371 L CA 0.712 55.780 54.840 0.380 0.000 3.232 371 L CB -1.532 40.814 42.059 0.479 0.000 0.661 371 L HN -0.006 nan 8.230 nan 0.000 0.772 372 V N 0.074 120.238 119.914 0.418 0.000 2.231 372 V HA -0.133 3.801 4.120 -0.311 0.000 0.239 372 V C 1.318 177.501 176.094 0.148 0.000 1.035 372 V CA 2.654 65.070 62.300 0.193 0.000 0.989 372 V CB -0.051 31.841 31.823 0.115 0.000 0.636 372 V HN 0.582 nan 8.190 nan 0.000 0.457 373 E N 0.764 121.051 120.200 0.146 0.000 2.255 373 E HA 0.043 4.206 4.350 -0.311 0.000 0.210 373 E C -0.873 175.787 176.600 0.100 0.000 1.120 373 E CA 0.024 56.488 56.400 0.108 0.000 0.595 373 E CB -0.832 28.908 29.700 0.065 0.000 0.889 373 E HN 0.668 nan 8.360 nan 0.000 0.447 374 N N -1.210 117.585 118.700 0.158 0.000 4.601 374 N HA -0.070 4.483 4.740 -0.311 0.000 0.172 374 N C 0.457 176.042 175.510 0.126 0.000 2.171 374 N CA 0.579 53.715 53.050 0.143 0.000 2.696 374 N CB -0.397 38.134 38.487 0.073 0.000 0.405 374 N HN 0.296 nan 8.380 nan 0.000 0.622 375 G N 1.016 109.916 108.800 0.165 0.000 2.598 375 G HA2 0.011 3.784 3.960 -0.311 0.000 0.215 375 G HA3 0.011 3.784 3.960 -0.311 0.000 0.215 375 G C 1.221 176.084 174.900 -0.061 0.000 1.131 375 G CA 1.333 46.392 45.100 -0.069 0.000 0.785 375 G HN 0.588 nan 8.290 nan 0.000 0.539 376 G N 0.106 108.909 108.800 0.005 0.000 2.608 376 G HA2 0.104 3.877 3.960 -0.311 0.000 0.210 376 G HA3 0.104 3.877 3.960 -0.311 0.000 0.210 376 G C 1.593 176.488 174.900 -0.008 0.000 1.139 376 G CA 0.962 46.062 45.100 -0.000 0.000 0.812 376 G HN 0.267 nan 8.290 nan 0.000 0.529 377 V N 1.378 121.290 119.914 -0.004 0.000 2.249 377 V HA -0.004 3.930 4.120 -0.311 0.000 0.239 377 V C 1.700 177.779 176.094 -0.026 0.000 1.038 377 V CA 1.755 64.048 62.300 -0.012 0.000 1.005 377 V CB -0.878 30.940 31.823 -0.008 0.000 0.646 377 V HN 0.405 nan 8.190 nan 0.000 0.455 378 N N -0.308 118.374 118.700 -0.031 0.000 2.014 378 N HA 0.340 4.893 4.740 -0.311 0.000 0.135 378 N C 0.438 175.908 175.510 -0.067 0.000 1.468 378 N CA 0.587 53.611 53.050 -0.042 0.000 1.088 378 N CB 0.867 39.325 38.487 -0.047 0.000 1.197 378 N HN 0.352 nan 8.380 nan 0.000 0.312 379 S N -0.945 114.717 115.700 -0.064 0.000 4.637 379 S HA 0.128 4.411 4.470 -0.311 0.000 0.044 379 S C 0.703 175.274 174.600 -0.048 0.000 0.860 379 S CA 0.923 59.029 58.200 -0.156 0.000 0.906 379 S CB -1.257 61.773 63.200 -0.283 0.000 0.426 379 S HN 1.002 nan 8.310 nan 0.000 0.797 380 G N 2.495 111.333 108.800 0.063 0.000 2.693 380 G HA2 -0.371 3.402 3.960 -0.311 0.000 0.354 380 G HA3 -0.371 3.402 3.960 -0.311 0.000 0.354 380 G C 0.287 175.303 174.900 0.194 0.000 1.207 380 G CA 1.543 46.719 45.100 0.126 0.000 0.958 380 G HN 1.223 nan 8.290 nan 0.000 0.560 381 F N 0.278 120.333 119.950 0.175 0.000 2.735 381 F HA 0.477 4.818 4.527 -0.311 0.000 0.308 381 F C 2.087 178.000 175.800 0.187 0.000 1.112 381 F CA -0.024 58.120 58.000 0.240 0.000 1.235 381 F CB -1.037 38.195 39.000 0.387 0.000 1.027 381 F HN 0.461 nan 8.300 nan 0.000 0.528 382 M N 0.085 119.919 119.600 0.389 0.000 2.255 382 M HA -0.205 4.088 4.480 -0.311 0.000 0.259 382 M C 0.946 177.363 176.300 0.195 0.000 1.071 382 M CA 1.963 57.447 55.300 0.306 0.000 1.074 382 M CB -0.323 32.417 32.600 0.233 0.000 1.384 382 M HN 0.124 nan 8.290 nan 0.000 0.415 383 I N 1.176 121.858 120.570 0.186 0.000 2.617 383 I HA -0.049 3.934 4.170 -0.311 0.000 0.256 383 I C 2.725 178.908 176.117 0.111 0.000 1.167 383 I CA 1.217 62.593 61.300 0.128 0.000 1.469 383 I CB -1.592 36.480 38.000 0.120 0.000 1.098 383 I HN 0.421 nan 8.210 nan 0.000 0.436 384 A N -0.068 122.851 122.820 0.166 0.000 2.021 384 A HA -0.156 3.977 4.320 -0.311 0.000 0.216 384 A C 2.259 179.858 177.584 0.024 0.000 1.163 384 A CA 0.841 52.879 52.037 0.002 0.000 0.676 384 A CB -0.451 18.504 19.000 -0.075 0.000 0.818 384 A HN 0.490 nan 8.150 nan 0.000 0.453 385 Q N 0.448 120.299 119.800 0.084 0.000 2.045 385 Q HA -0.198 3.955 4.340 -0.311 0.000 0.206 385 Q C 1.771 177.800 176.000 0.049 0.000 0.991 385 Q CA 2.739 58.578 55.803 0.061 0.000 0.851 385 Q CB -0.438 28.356 28.738 0.093 0.000 0.911 385 Q HN 0.342 nan 8.270 nan 0.000 0.418 386 V N 1.101 121.051 119.914 0.061 0.000 2.380 386 V HA -0.292 3.641 4.120 -0.311 0.000 0.251 386 V C 2.370 178.475 176.094 0.019 0.000 1.063 386 V CA 2.224 64.547 62.300 0.039 0.000 1.055 386 V CB -1.142 30.707 31.823 0.044 0.000 0.657 386 V HN 0.517 nan 8.190 nan 0.000 0.455 387 T N 0.375 114.930 114.554 0.003 0.000 2.746 387 T HA -0.163 4.001 4.350 -0.311 0.000 0.267 387 T C 2.056 176.748 174.700 -0.014 0.000 1.039 387 T CA 1.637 63.727 62.100 -0.016 0.000 1.142 387 T CB -0.406 68.430 68.868 -0.052 0.000 0.866 387 T HN 0.609 nan 8.240 nan 0.000 0.444 388 A N 1.265 124.078 122.820 -0.012 0.000 1.969 388 A HA 0.216 4.349 4.320 -0.311 0.000 0.218 388 A C 2.618 180.207 177.584 0.008 0.000 1.169 388 A CA 1.659 53.693 52.037 -0.004 0.000 0.635 388 A CB -0.951 18.048 19.000 -0.002 0.000 0.810 388 A HN 0.500 nan 8.150 nan 0.000 0.445 389 A N -0.062 122.766 122.820 0.014 0.000 1.933 389 A HA 0.160 4.293 4.320 -0.311 0.000 0.218 389 A C 2.470 180.064 177.584 0.016 0.000 1.175 389 A CA 1.992 54.040 52.037 0.018 0.000 0.628 389 A CB -0.898 18.116 19.000 0.024 0.000 0.814 389 A HN 0.995 nan 8.150 nan 0.000 0.444 390 A N -0.199 122.628 122.820 0.012 0.000 1.898 390 A HA 0.010 4.143 4.320 -0.311 0.000 0.216 390 A C 2.141 179.731 177.584 0.010 0.000 1.181 390 A CA 1.398 53.441 52.037 0.011 0.000 0.620 390 A CB -0.519 18.486 19.000 0.008 0.000 0.819 390 A HN 0.457 nan 8.150 nan 0.000 0.442 391 L N -0.913 120.314 121.223 0.006 0.000 2.056 391 L HA -0.165 3.989 4.340 -0.311 0.000 0.207 391 L C 3.106 179.985 176.870 0.014 0.000 1.078 391 L CA 1.225 56.069 54.840 0.007 0.000 0.749 391 L CB -0.886 41.173 42.059 0.000 0.000 0.901 391 L HN 0.458 nan 8.230 nan 0.000 0.433 392 A N -0.437 122.393 122.820 0.016 0.000 1.902 392 A HA -0.233 3.900 4.320 -0.311 0.000 0.217 392 A C 2.590 180.188 177.584 0.024 0.000 1.181 392 A CA 2.060 54.110 52.037 0.022 0.000 0.623 392 A CB -0.700 18.313 19.000 0.023 0.000 0.818 392 A HN 0.369 nan 8.150 nan 0.000 0.443 393 S N -0.708 115.005 115.700 0.022 0.000 2.359 393 S HA -0.236 4.047 4.470 -0.311 0.000 0.224 393 S C 1.941 176.555 174.600 0.023 0.000 1.035 393 S CA 1.782 59.995 58.200 0.022 0.000 1.018 393 S CB -0.405 62.806 63.200 0.019 0.000 0.876 393 S HN 0.632 nan 8.310 nan 0.000 0.448 394 E N 0.608 120.821 120.200 0.021 0.000 2.065 394 E HA -0.203 3.960 4.350 -0.311 0.000 0.201 394 E C 1.773 178.390 176.600 0.029 0.000 1.016 394 E CA 1.532 57.946 56.400 0.022 0.000 0.818 394 E CB -0.247 29.465 29.700 0.020 0.000 0.749 394 E HN 0.475 nan 8.360 nan 0.000 0.453 395 N N 0.630 119.348 118.700 0.031 0.000 2.430 395 N HA -0.142 4.411 4.740 -0.311 0.000 0.186 395 N C 1.291 176.827 175.510 0.042 0.000 1.032 395 N CA 0.782 53.855 53.050 0.038 0.000 0.893 395 N CB -0.035 38.475 38.487 0.038 0.000 0.957 395 N HN 0.195 nan 8.380 nan 0.000 0.442 396 K N 0.351 120.774 120.400 0.038 0.000 2.062 396 K HA 0.050 4.183 4.320 -0.311 0.000 0.205 396 K C 1.929 178.559 176.600 0.051 0.000 1.051 396 K CA 1.096 57.408 56.287 0.042 0.000 0.941 396 K CB -0.022 32.498 32.500 0.034 0.000 0.719 396 K HN 0.125 nan 8.250 nan 0.000 0.440 397 A N 1.416 124.262 122.820 0.044 0.000 1.897 397 A HA -0.051 4.083 4.320 -0.311 0.000 0.215 397 A C 2.096 179.724 177.584 0.073 0.000 1.181 397 A CA 0.879 52.944 52.037 0.046 0.000 0.620 397 A CB -0.561 18.450 19.000 0.019 0.000 0.821 397 A HN 0.135 nan 8.150 nan 0.000 0.443 398 L N 0.035 121.297 121.223 0.065 0.000 2.261 398 L HA -0.148 4.006 4.340 -0.311 0.000 0.216 398 L C 2.467 179.395 176.870 0.097 0.000 1.114 398 L CA 1.113 56.002 54.840 0.080 0.000 0.777 398 L CB -0.320 41.772 42.059 0.056 0.000 0.910 398 L HN 0.267 nan 8.230 nan 0.000 0.440 399 S N -2.289 113.460 115.700 0.083 0.000 2.474 399 S HA -0.139 4.144 4.470 -0.311 0.000 0.235 399 S C 0.735 175.375 174.600 0.066 0.000 0.997 399 S CA 0.185 58.425 58.200 0.068 0.000 0.949 399 S CB -0.553 62.678 63.200 0.052 0.000 0.766 399 S HN 0.433 nan 8.310 nan 0.000 0.517 400 H N 3.219 122.292 119.070 0.005 0.000 3.070 400 H HA 0.107 4.643 4.556 -0.033 0.000 0.313 400 H C -2.431 172.870 175.328 -0.045 0.000 0.997 400 H CA -1.328 54.699 56.048 -0.036 0.000 1.438 400 H CB 0.470 30.186 29.762 -0.076 0.000 1.455 400 H HN 0.090 nan 8.280 nan 0.000 0.575 401 P HA 0.035 nan 4.420 nan 0.000 0.275 401 P C 0.002 177.197 177.300 -0.176 0.000 1.227 401 P CA 0.084 63.064 63.100 -0.201 0.000 0.781 401 P CB 0.974 32.545 31.700 -0.215 0.000 0.906 402 H N 0.500 119.537 119.070 -0.056 0.000 2.595 402 H HA 0.003 4.392 4.556 -0.278 0.000 0.265 402 H C 1.685 176.999 175.328 -0.024 0.000 0.953 402 H CA 0.960 56.996 56.048 -0.021 0.000 1.197 402 H CB 0.250 30.000 29.762 -0.018 0.000 1.438 402 H HN 0.485 nan 8.280 nan 0.000 0.531 403 S N 1.218 116.966 115.700 0.080 0.000 2.603 403 S HA -0.067 4.217 4.470 -0.311 0.000 0.229 403 S C 1.915 176.540 174.600 0.042 0.000 0.972 403 S CA 0.781 59.016 58.200 0.059 0.000 0.935 403 S CB -0.833 62.397 63.200 0.050 0.000 0.769 403 S HN 0.277 nan 8.310 nan 0.000 0.536 404 V N -2.016 117.903 119.914 0.007 0.000 3.590 404 V HA 0.309 4.243 4.120 -0.311 0.000 0.265 404 V C 0.337 176.436 176.094 0.010 0.000 1.239 404 V CA 0.168 62.473 62.300 0.009 0.000 1.117 404 V CB -0.623 31.186 31.823 -0.023 0.000 0.818 404 V HN 0.281 nan 8.190 nan 0.000 0.451 405 D N 0.734 121.134 120.400 -0.001 0.000 2.253 405 D HA 0.620 5.073 4.640 -0.311 0.000 0.249 405 D C -0.384 175.885 176.300 -0.051 0.000 1.049 405 D CA 0.382 54.375 54.000 -0.011 0.000 0.929 405 D CB 1.840 42.638 40.800 -0.003 0.000 1.176 405 D HN 0.412 nan 8.370 nan 0.000 0.437 406 S N 1.971 117.631 115.700 -0.067 0.000 2.556 406 S HA 0.497 4.780 4.470 -0.311 0.000 0.280 406 S C -2.070 172.488 174.600 -0.070 0.000 1.141 406 S CA -0.810 57.312 58.200 -0.129 0.000 0.883 406 S CB 0.254 63.262 63.200 -0.320 0.000 1.103 406 S HN 0.409 nan 8.310 nan 0.000 0.453 407 L N 3.765 124.952 121.223 -0.060 0.000 2.385 407 L HA 0.552 4.705 4.340 -0.311 0.000 0.273 407 L C -2.462 174.401 176.870 -0.012 0.000 0.990 407 L CA -2.271 52.554 54.840 -0.024 0.000 0.821 407 L CB 2.659 44.709 42.059 -0.015 0.000 1.279 407 L HN 0.497 nan 8.230 nan 0.000 0.412 408 P HA 0.107 nan 4.420 nan 0.000 0.269 408 P C -0.526 176.785 177.300 0.018 0.000 1.252 408 P CA -0.179 62.936 63.100 0.025 0.000 0.780 408 P CB 0.479 32.198 31.700 0.032 0.000 0.829 409 T N -0.933 113.633 114.554 0.021 0.000 2.912 409 T HA 0.319 4.483 4.350 -0.311 0.000 0.280 409 T C 0.455 175.166 174.700 0.018 0.000 0.989 409 T CA -0.562 61.545 62.100 0.013 0.000 0.995 409 T CB 0.583 69.455 68.868 0.007 0.000 1.077 409 T HN 0.336 nan 8.240 nan 0.000 0.531 410 S N 0.454 116.159 115.700 0.007 0.000 3.268 410 S HA -0.099 4.184 4.470 -0.311 0.000 0.347 410 S C 0.887 175.500 174.600 0.021 0.000 0.925 410 S CA 0.879 59.084 58.200 0.008 0.000 1.286 410 S CB -2.238 60.964 63.200 0.004 0.000 0.890 410 S HN 2.677 nan 8.310 nan 0.000 0.495 411 A N 1.454 124.287 122.820 0.021 0.000 3.243 411 A HA -0.143 3.990 4.320 -0.311 0.000 0.260 411 A C 0.896 178.499 177.584 0.031 0.000 1.365 411 A CA 0.818 52.869 52.037 0.024 0.000 0.771 411 A CB -2.544 16.471 19.000 0.024 0.000 1.025 411 A HN 1.803 nan 8.150 nan 0.000 0.527 412 N N -1.738 116.983 118.700 0.035 0.000 2.644 412 N HA -0.308 4.245 4.740 -0.311 0.000 0.248 412 N C 0.945 176.486 175.510 0.052 0.000 1.150 412 N CA 1.279 54.356 53.050 0.044 0.000 0.727 412 N CB -0.303 38.206 38.487 0.037 0.000 1.091 412 N HN 0.873 nan 8.380 nan 0.000 0.556 413 Q N 0.627 120.460 119.800 0.054 0.000 2.259 413 Q HA 0.007 4.160 4.340 -0.311 0.000 0.201 413 Q C 0.178 176.234 176.000 0.093 0.000 0.938 413 Q CA 0.857 56.698 55.803 0.064 0.000 0.872 413 Q CB 0.313 29.084 28.738 0.056 0.000 0.971 413 Q HN 0.539 nan 8.270 nan 0.000 0.494 414 E N 2.300 122.553 120.200 0.089 0.000 2.232 414 E HA 0.007 4.170 4.350 -0.311 0.000 0.296 414 E C -0.284 176.377 176.600 0.102 0.000 1.372 414 E CA -0.053 56.413 56.400 0.110 0.000 1.527 414 E CB 0.054 29.798 29.700 0.074 0.000 1.424 414 E HN 0.253 nan 8.360 nan 0.000 0.485 415 D N 0.036 120.511 120.400 0.124 0.000 2.339 415 D HA -0.084 4.369 4.640 -0.311 0.000 0.217 415 D C 0.218 176.626 176.300 0.180 0.000 1.050 415 D CA 0.167 54.237 54.000 0.118 0.000 0.856 415 D CB 0.187 41.047 40.800 0.101 0.000 0.922 415 D HN 0.266 nan 8.370 nan 0.000 0.518 416 H N 0.085 119.222 119.070 0.111 0.000 3.083 416 H HA 0.414 4.783 4.556 -0.311 0.000 0.339 416 H C -1.333 174.111 175.328 0.194 0.000 1.020 416 H CA -0.669 55.466 56.048 0.145 0.000 1.360 416 H CB 2.053 31.905 29.762 0.150 0.000 1.811 416 H HN -0.067 nan 8.280 nan 0.000 0.493 417 V N 2.268 122.080 119.914 -0.170 0.000 3.155 417 V HA 0.557 4.490 4.120 -0.311 0.000 0.313 417 V C 0.867 176.809 176.094 -0.252 0.000 1.162 417 V CA 0.040 62.221 62.300 -0.198 0.000 1.048 417 V CB 1.555 33.298 31.823 -0.135 0.000 1.092 417 V HN 0.756 nan 8.190 nan 0.000 0.447 418 S N 0.257 115.786 115.700 -0.285 0.000 2.460 418 S HA 0.097 4.380 4.470 -0.311 0.000 0.226 418 S C 1.153 175.734 174.600 -0.031 0.000 1.057 418 S CA 0.950 59.118 58.200 -0.055 0.000 0.948 418 S CB -0.358 62.825 63.200 -0.029 0.000 0.822 418 S HN 1.295 nan 8.310 nan 0.000 0.512 419 M N 0.142 119.709 119.600 -0.055 0.000 2.879 419 M HA -0.140 4.153 4.480 -0.311 0.000 0.210 419 M C 0.976 177.261 176.300 -0.025 0.000 0.550 419 M CA 0.633 55.922 55.300 -0.018 0.000 0.732 419 M CB -2.592 30.033 32.600 0.042 0.000 2.662 419 M HN 0.584 nan 8.290 nan 0.000 0.516 420 A N -0.730 122.064 122.820 -0.044 0.000 1.969 420 A HA 0.024 4.157 4.320 -0.311 0.000 0.218 420 A C -0.308 177.231 177.584 -0.075 0.000 1.169 420 A CA 1.756 53.764 52.037 -0.048 0.000 0.635 420 A CB -0.976 17.997 19.000 -0.044 0.000 0.810 420 A HN 0.458 nan 8.150 nan 0.000 0.445 421 P HA -0.099 nan 4.420 nan 0.000 0.216 421 P C 1.639 178.936 177.300 -0.005 0.000 1.153 421 P CA 1.929 64.994 63.100 -0.058 0.000 0.848 421 P CB -0.033 31.622 31.700 -0.075 0.000 0.787 422 A N -0.290 122.442 122.820 -0.146 0.000 1.930 422 A HA 0.111 4.244 4.320 -0.311 0.000 0.215 422 A C 2.279 179.511 177.584 -0.587 0.000 1.176 422 A CA 1.402 53.220 52.037 -0.364 0.000 0.632 422 A CB -1.478 17.293 19.000 -0.382 0.000 0.819 422 A HN 0.146 nan 8.150 nan 0.000 0.445 423 A N -0.140 122.442 122.820 -0.396 0.000 1.892 423 A HA 0.022 4.155 4.320 -0.311 0.000 0.218 423 A C 2.363 179.815 177.584 -0.220 0.000 1.188 423 A CA 2.175 54.061 52.037 -0.253 0.000 0.631 423 A CB -1.343 17.620 19.000 -0.062 0.000 0.822 423 A HN 0.691 nan 8.150 nan 0.000 0.447 424 G N -0.623 108.072 108.800 -0.176 0.000 2.396 424 G HA2 -0.189 3.585 3.960 -0.311 0.000 0.214 424 G HA3 -0.189 3.585 3.960 -0.311 0.000 0.214 424 G C 1.613 176.208 174.900 -0.509 0.000 1.166 424 G CA 1.060 46.064 45.100 -0.161 0.000 0.793 424 G HN 0.609 nan 8.290 nan 0.000 0.533 425 K N 1.466 121.454 120.400 -0.686 0.000 2.074 425 K HA -0.228 3.906 4.320 -0.311 0.000 0.209 425 K C 2.570 178.437 176.600 -1.221 0.000 1.048 425 K CA 1.777 57.141 56.287 -1.539 0.000 0.926 425 K CB -0.138 31.752 32.500 -1.017 0.000 0.713 425 K HN 0.320 nan 8.250 nan 0.000 0.444 426 R N 0.945 121.071 120.500 -0.624 0.000 2.237 426 R HA -0.023 4.130 4.340 -0.311 0.000 0.219 426 R C 2.145 178.320 176.300 -0.207 0.000 1.080 426 R CA 1.094 56.992 56.100 -0.338 0.000 0.995 426 R CB -0.909 29.275 30.300 -0.193 0.000 0.875 426 R HN 0.244 nan 8.270 nan 0.000 0.462 427 L N -0.559 120.526 121.223 -0.230 0.000 2.201 427 L HA -0.076 4.077 4.340 -0.311 0.000 0.212 427 L C 1.770 178.773 176.870 0.222 0.000 1.105 427 L CA 0.808 55.654 54.840 0.009 0.000 0.775 427 L CB -0.534 41.558 42.059 0.056 0.000 0.913 427 L HN 0.247 nan 8.230 nan 0.000 0.440 428 W N 0.819 122.187 121.300 0.112 0.000 2.358 428 W HA -0.199 4.281 4.660 -0.300 0.000 0.303 428 W C 2.570 179.114 176.519 0.041 0.000 1.208 428 W CA 1.267 58.725 57.345 0.187 0.000 1.274 428 W CB -0.985 28.576 29.460 0.168 0.000 1.138 428 W HN 0.326 nan 8.180 nan 0.000 0.515 429 E N 0.280 120.601 120.200 0.201 0.000 2.112 429 E HA -0.144 4.019 4.350 -0.311 0.000 0.190 429 E C 2.107 178.745 176.600 0.064 0.000 0.979 429 E CA 1.311 57.770 56.400 0.099 0.000 0.814 429 E CB -0.653 29.080 29.700 0.055 0.000 0.762 429 E HN 0.075 nan 8.360 nan 0.000 0.460 430 M N 0.338 119.979 119.600 0.067 0.000 2.195 430 M HA -0.160 4.134 4.480 -0.311 0.000 0.260 430 M C 2.280 178.617 176.300 0.062 0.000 1.066 430 M CA 1.717 57.053 55.300 0.060 0.000 1.089 430 M CB -0.274 32.363 32.600 0.062 0.000 1.377 430 M HN 0.363 nan 8.290 nan 0.000 0.411 431 A N -0.374 122.494 122.820 0.080 0.000 2.016 431 A HA -0.095 4.038 4.320 -0.311 0.000 0.217 431 A C 1.846 179.406 177.584 -0.040 0.000 1.162 431 A CA 1.126 53.182 52.037 0.032 0.000 0.662 431 A CB -0.402 18.619 19.000 0.034 0.000 0.812 431 A HN 0.479 nan 8.150 nan 0.000 0.450 432 E N 0.231 120.407 120.200 -0.039 0.000 2.072 432 E HA -0.162 4.001 4.350 -0.311 0.000 0.191 432 E C 1.699 178.287 176.600 -0.020 0.000 0.985 432 E CA 1.084 57.456 56.400 -0.048 0.000 0.801 432 E CB -0.135 29.547 29.700 -0.030 0.000 0.750 432 E HN 0.519 nan 8.360 nan 0.000 0.452 433 N N 0.227 118.927 118.700 0.000 0.000 2.036 433 N HA -0.139 4.415 4.740 -0.311 0.000 0.195 433 N C 1.861 177.374 175.510 0.005 0.000 1.037 433 N CA 1.669 54.722 53.050 0.005 0.000 0.855 433 N CB -0.760 37.737 38.487 0.017 0.000 1.033 433 N HN 0.081 nan 8.380 nan 0.000 0.423 434 T N 0.626 115.186 114.554 0.011 0.000 2.915 434 T HA -0.044 4.119 4.350 -0.311 0.000 0.269 434 T C 1.906 176.609 174.700 0.004 0.000 1.071 434 T CA 0.607 62.716 62.100 0.015 0.000 1.132 434 T CB 0.167 69.052 68.868 0.029 0.000 0.878 434 T HN 0.261 nan 8.240 nan 0.000 0.479 435 R N 0.466 120.961 120.500 -0.009 0.000 2.090 435 R HA -0.007 4.146 4.340 -0.311 0.000 0.228 435 R C 2.647 178.948 176.300 0.002 0.000 1.110 435 R CA 1.224 57.316 56.100 -0.013 0.000 0.973 435 R CB -0.479 29.796 30.300 -0.042 0.000 0.869 435 R HN 0.414 nan 8.270 nan 0.000 0.440 436 G N 0.062 108.857 108.800 -0.008 0.000 2.408 436 G HA2 -0.172 3.601 3.960 -0.311 0.000 0.217 436 G HA3 -0.172 3.601 3.960 -0.311 0.000 0.217 436 G C 1.375 176.270 174.900 -0.009 0.000 1.150 436 G CA 0.675 45.767 45.100 -0.015 0.000 0.776 436 G HN 0.179 nan 8.290 nan 0.000 0.542 437 V N 0.998 120.911 119.914 -0.001 0.000 2.255 437 V HA -0.177 3.757 4.120 -0.311 0.000 0.247 437 V C 2.919 179.026 176.094 0.021 0.000 1.051 437 V CA 1.663 63.967 62.300 0.005 0.000 1.018 437 V CB -0.518 31.311 31.823 0.010 0.000 0.641 437 V HN 0.338 nan 8.190 nan 0.000 0.445 438 L N -0.194 121.045 121.223 0.027 0.000 2.046 438 L HA -0.162 3.992 4.340 -0.311 0.000 0.208 438 L C 2.749 179.690 176.870 0.120 0.000 1.077 438 L CA 1.509 56.372 54.840 0.039 0.000 0.747 438 L CB -0.817 41.239 42.059 -0.006 0.000 0.896 438 L HN 0.382 nan 8.230 nan 0.000 0.432 439 A N 0.393 123.297 122.820 0.139 0.000 1.917 439 A HA -0.234 3.899 4.320 -0.311 0.000 0.219 439 A C 2.151 179.835 177.584 0.168 0.000 1.182 439 A CA 1.865 54.049 52.037 0.245 0.000 0.633 439 A CB -0.734 18.346 19.000 0.132 0.000 0.819 439 A HN 0.382 nan 8.150 nan 0.000 0.448 440 I N -0.841 119.763 120.570 0.056 0.000 2.394 440 I HA -0.196 3.787 4.170 -0.311 0.000 0.251 440 I C 2.486 178.637 176.117 0.057 0.000 1.136 440 I CA 1.450 62.753 61.300 0.004 0.000 1.425 440 I CB -0.167 37.802 38.000 -0.051 0.000 1.079 440 I HN 0.493 nan 8.210 nan 0.000 0.425 441 E N 0.314 120.567 120.200 0.089 0.000 2.028 441 E HA -0.262 3.902 4.350 -0.311 0.000 0.190 441 E C 2.074 178.782 176.600 0.180 0.000 0.984 441 E CA 1.145 57.598 56.400 0.090 0.000 0.800 441 E CB -0.192 29.549 29.700 0.069 0.000 0.758 441 E HN 0.475 nan 8.360 nan 0.000 0.448 442 W N 1.689 122.987 121.300 -0.003 0.000 2.290 442 W HA -0.254 4.219 4.660 -0.312 0.000 0.323 442 W C 1.967 178.511 176.519 0.042 0.000 1.260 442 W CA 1.551 58.904 57.345 0.014 0.000 1.266 442 W CB -0.933 28.531 29.460 0.007 0.000 1.149 442 W HN 0.130 nan 8.180 nan 0.000 0.482 443 L N -0.191 121.128 121.223 0.161 0.000 2.093 443 L HA -0.090 4.064 4.340 -0.311 0.000 0.208 443 L C 2.722 179.693 176.870 0.169 0.000 1.085 443 L CA 1.619 56.504 54.840 0.075 0.000 0.755 443 L CB -1.382 40.755 42.059 0.130 0.000 0.904 443 L HN 0.112 nan 8.230 nan 0.000 0.435 444 G N -0.783 108.072 108.800 0.093 0.000 2.404 444 G HA2 -0.222 3.551 3.960 -0.311 0.000 0.215 444 G HA3 -0.222 3.551 3.960 -0.311 0.000 0.215 444 G C 1.746 176.622 174.900 -0.040 0.000 1.174 444 G CA 0.724 45.750 45.100 -0.124 0.000 0.780 444 G HN 0.455 nan 8.290 nan 0.000 0.537 445 A N -0.052 122.799 122.820 0.051 0.000 1.902 445 A HA -0.055 4.079 4.320 -0.311 0.000 0.217 445 A C 2.565 180.214 177.584 0.109 0.000 1.181 445 A CA 1.779 53.864 52.037 0.079 0.000 0.623 445 A CB -0.943 18.126 19.000 0.115 0.000 0.818 445 A HN 0.419 nan 8.150 nan 0.000 0.443 446 C N -1.405 117.978 119.300 0.137 0.000 2.440 446 C HA -0.051 4.222 4.460 -0.311 0.000 0.278 446 C C 2.818 177.900 174.990 0.155 0.000 1.295 446 C CA 1.266 60.365 59.018 0.135 0.000 1.738 446 C CB -1.025 26.772 27.740 0.095 0.000 1.987 446 C HN 0.770 nan 8.230 nan 0.000 0.492 447 Q N 1.399 121.295 119.800 0.161 0.000 2.030 447 Q HA -0.064 4.089 4.340 -0.311 0.000 0.204 447 Q C 2.221 178.355 176.000 0.225 0.000 0.986 447 Q CA 2.452 58.378 55.803 0.206 0.000 0.843 447 Q CB -0.785 28.189 28.738 0.393 0.000 0.904 447 Q HN 0.574 nan 8.270 nan 0.000 0.420 448 G N 0.415 109.298 108.800 0.138 0.000 2.459 448 G HA2 -0.246 3.527 3.960 -0.311 0.000 0.217 448 G HA3 -0.246 3.527 3.960 -0.311 0.000 0.217 448 G C 1.384 176.354 174.900 0.116 0.000 1.183 448 G CA 0.980 46.145 45.100 0.108 0.000 0.776 448 G HN 0.384 nan 8.290 nan 0.000 0.552 449 L N 0.418 121.707 121.223 0.110 0.000 2.081 449 L HA -0.124 4.030 4.340 -0.311 0.000 0.212 449 L C 2.572 179.507 176.870 0.108 0.000 1.080 449 L CA 1.210 56.111 54.840 0.101 0.000 0.754 449 L CB -0.399 41.719 42.059 0.099 0.000 0.893 449 L HN 0.111 nan 8.230 nan 0.000 0.433 450 D N 0.107 120.596 120.400 0.149 0.000 2.116 450 D HA -0.208 4.246 4.640 -0.311 0.000 0.193 450 D C 2.310 178.666 176.300 0.093 0.000 0.998 450 D CA 1.266 55.353 54.000 0.146 0.000 0.836 450 D CB -0.241 40.752 40.800 0.323 0.000 0.951 450 D HN 0.258 nan 8.370 nan 0.000 0.449 451 L N 0.205 121.510 121.223 0.137 0.000 2.187 451 L HA -0.111 4.043 4.340 -0.311 0.000 0.213 451 L C 0.873 177.778 176.870 0.059 0.000 1.100 451 L CA 0.863 55.763 54.840 0.100 0.000 0.765 451 L CB -0.287 41.846 42.059 0.123 0.000 0.904 451 L HN -0.063 nan 8.230 nan 0.000 0.437 452 R N 1.524 122.061 120.500 0.062 0.000 2.893 452 R HA 0.120 4.273 4.340 -0.311 0.000 0.243 452 R C -0.086 176.235 176.300 0.035 0.000 1.481 452 R CA -0.436 55.693 56.100 0.049 0.000 1.250 452 R CB -0.173 30.162 30.300 0.058 0.000 1.213 452 R HN -0.081 nan 8.270 nan 0.000 0.609 453 K N 0.833 121.245 120.400 0.021 0.000 2.530 453 K HA -0.057 4.076 4.320 -0.311 0.000 0.280 453 K C 1.233 177.838 176.600 0.009 0.000 1.004 453 K CA 1.337 57.627 56.287 0.005 0.000 1.071 453 K CB 0.135 32.632 32.500 -0.004 0.000 0.876 453 K HN 0.742 nan 8.250 nan 0.000 0.487 454 G N 2.626 111.429 108.800 0.006 0.000 2.186 454 G HA2 -0.292 3.482 3.960 -0.311 0.000 0.266 454 G HA3 -0.292 3.482 3.960 -0.311 0.000 0.266 454 G C 0.002 174.912 174.900 0.017 0.000 0.982 454 G CA 0.604 45.709 45.100 0.008 0.000 0.670 454 G HN 0.437 nan 8.290 nan 0.000 0.533 455 L N -0.511 120.727 121.223 0.025 0.000 2.379 455 L HA 0.581 4.735 4.340 -0.311 0.000 0.269 455 L C 0.624 177.515 176.870 0.035 0.000 1.084 455 L CA -0.648 54.209 54.840 0.029 0.000 0.802 455 L CB 1.193 43.274 42.059 0.036 0.000 1.175 455 L HN -0.021 nan 8.230 nan 0.000 0.448 456 K N 0.584 121.004 120.400 0.032 0.000 2.259 456 K HA 0.473 4.606 4.320 -0.311 0.000 0.249 456 K C -0.331 176.292 176.600 0.038 0.000 0.942 456 K CA -0.590 55.718 56.287 0.035 0.000 0.816 456 K CB 2.593 35.109 32.500 0.027 0.000 1.155 456 K HN 0.582 nan 8.250 nan 0.000 0.428 457 T N -0.436 114.145 114.554 0.044 0.000 2.906 457 T HA 0.211 4.375 4.350 -0.311 0.000 0.283 457 T C 0.387 175.107 174.700 0.034 0.000 1.098 457 T CA -0.347 61.779 62.100 0.044 0.000 0.960 457 T CB 0.503 69.404 68.868 0.056 0.000 1.776 457 T HN 0.684 nan 8.240 nan 0.000 0.594 458 S N 0.243 115.962 115.700 0.031 0.000 2.596 458 S HA 0.428 4.711 4.470 -0.311 0.000 0.260 458 S C 1.639 176.251 174.600 0.021 0.000 1.336 458 S CA -0.099 58.114 58.200 0.022 0.000 0.993 458 S CB 0.202 63.410 63.200 0.015 0.000 0.923 458 S HN 0.956 nan 8.310 nan 0.000 0.567 459 A N 1.410 124.239 122.820 0.015 0.000 1.902 459 A HA -0.059 4.074 4.320 -0.311 0.000 0.217 459 A C 2.242 179.834 177.584 0.013 0.000 1.181 459 A CA 1.370 53.416 52.037 0.015 0.000 0.623 459 A CB -0.740 18.266 19.000 0.010 0.000 0.818 459 A HN 0.878 nan 8.150 nan 0.000 0.443 460 K N -0.462 119.941 120.400 0.004 0.000 2.103 460 K HA 0.052 4.186 4.320 -0.311 0.000 0.204 460 K C 1.845 178.449 176.600 0.006 0.000 1.052 460 K CA 1.072 57.357 56.287 -0.003 0.000 0.945 460 K CB -0.325 32.161 32.500 -0.023 0.000 0.722 460 K HN 0.471 nan 8.250 nan 0.000 0.443 461 L N 1.074 122.305 121.223 0.013 0.000 2.141 461 L HA -0.146 4.007 4.340 -0.311 0.000 0.209 461 L C 2.273 179.180 176.870 0.060 0.000 1.094 461 L CA 0.921 55.781 54.840 0.033 0.000 0.763 461 L CB -0.303 41.776 42.059 0.034 0.000 0.908 461 L HN 0.141 nan 8.230 nan 0.000 0.437 462 E N 0.414 120.645 120.200 0.051 0.000 2.150 462 E HA -0.187 3.976 4.350 -0.311 0.000 0.193 462 E C 2.104 178.745 176.600 0.069 0.000 0.985 462 E CA 0.893 57.329 56.400 0.060 0.000 0.814 462 E CB 0.036 29.763 29.700 0.045 0.000 0.752 462 E HN 0.395 nan 8.360 nan 0.000 0.466 463 K N 0.444 120.877 120.400 0.056 0.000 2.097 463 K HA -0.087 4.047 4.320 -0.311 0.000 0.206 463 K C 2.039 178.699 176.600 0.101 0.000 1.049 463 K CA 1.174 57.498 56.287 0.062 0.000 0.933 463 K CB -0.047 32.475 32.500 0.036 0.000 0.717 463 K HN 0.043 nan 8.250 nan 0.000 0.442 464 A N 1.132 124.017 122.820 0.109 0.000 1.930 464 A HA -0.148 3.985 4.320 -0.311 0.000 0.217 464 A C 1.959 179.754 177.584 0.352 0.000 1.175 464 A CA 1.187 53.339 52.037 0.190 0.000 0.627 464 A CB -0.318 18.732 19.000 0.083 0.000 0.815 464 A HN 0.216 nan 8.150 nan 0.000 0.443 465 R N -1.174 119.466 120.500 0.232 0.000 2.073 465 R HA -0.161 3.992 4.340 -0.311 0.000 0.234 465 R C 2.432 178.818 176.300 0.144 0.000 1.134 465 R CA 1.649 57.867 56.100 0.196 0.000 0.952 465 R CB -0.320 30.058 30.300 0.131 0.000 0.850 465 R HN 0.455 nan 8.270 nan 0.000 0.433 466 Q N 0.396 120.269 119.800 0.121 0.000 2.124 466 Q HA -0.038 4.116 4.340 -0.311 0.000 0.202 466 Q C 1.997 178.055 176.000 0.095 0.000 0.977 466 Q CA 1.811 57.665 55.803 0.086 0.000 0.850 466 Q CB -0.312 28.467 28.738 0.068 0.000 0.901 466 Q HN 0.375 nan 8.270 nan 0.000 0.429 467 A N 0.293 123.210 122.820 0.161 0.000 1.883 467 A HA -0.207 3.926 4.320 -0.311 0.000 0.217 467 A C 2.055 179.721 177.584 0.137 0.000 1.186 467 A CA 1.427 53.585 52.037 0.202 0.000 0.624 467 A CB -0.896 18.302 19.000 0.331 0.000 0.822 467 A HN 0.448 nan 8.150 nan 0.000 0.444 468 L N -1.135 120.132 121.223 0.074 0.000 1.955 468 L HA -0.174 3.979 4.340 -0.311 0.000 0.213 468 L C 2.764 179.529 176.870 -0.174 0.000 1.072 468 L CA 1.635 56.267 54.840 -0.346 0.000 0.755 468 L CB -0.459 41.219 42.059 -0.636 0.000 0.888 468 L HN 0.336 nan 8.230 nan 0.000 0.432 469 R N -0.561 119.894 120.500 -0.075 0.000 2.200 469 R HA -0.141 4.012 4.340 -0.311 0.000 0.234 469 R C 2.268 178.557 176.300 -0.018 0.000 1.127 469 R CA 1.191 57.272 56.100 -0.033 0.000 0.989 469 R CB -0.775 29.532 30.300 0.012 0.000 0.869 469 R HN 0.359 nan 8.270 nan 0.000 0.459 470 S N 0.287 115.982 115.700 -0.008 0.000 2.469 470 S HA -0.102 4.181 4.470 -0.311 0.000 0.238 470 S C 1.275 175.867 174.600 -0.013 0.000 0.998 470 S CA 1.160 59.360 58.200 0.001 0.000 0.957 470 S CB 0.211 63.422 63.200 0.019 0.000 0.764 470 S HN 0.359 nan 8.310 nan 0.000 0.514 471 E N -0.955 119.221 120.200 -0.040 0.000 2.505 471 E HA 0.220 4.383 4.350 -0.311 0.000 0.212 471 E C -0.820 175.745 176.600 -0.059 0.000 0.825 471 E CA 0.135 56.509 56.400 -0.044 0.000 1.333 471 E CB 1.479 31.150 29.700 -0.048 0.000 1.319 471 E HN 0.219 nan 8.360 nan 0.000 0.658 472 V N 2.032 121.893 119.914 -0.087 0.000 2.407 472 V HA 0.478 4.411 4.120 -0.311 0.000 0.291 472 V C -0.046 176.024 176.094 -0.039 0.000 1.018 472 V CA -0.662 61.593 62.300 -0.074 0.000 0.842 472 V CB 1.315 33.063 31.823 -0.125 0.000 0.996 472 V HN 0.197 nan 8.190 nan 0.000 0.426 473 A N 3.163 125.982 122.820 -0.002 0.000 2.366 473 A HA 0.414 4.547 4.320 -0.311 0.000 0.249 473 A C 0.181 177.801 177.584 0.060 0.000 1.084 473 A CA -0.129 51.927 52.037 0.032 0.000 0.794 473 A CB -0.161 18.858 19.000 0.032 0.000 1.034 473 A HN 1.076 nan 8.150 nan 0.000 0.491 474 H N -0.554 118.516 119.070 -0.000 0.000 3.140 474 H HA -0.031 4.338 4.556 -0.311 0.000 0.316 474 H C -0.290 175.036 175.328 -0.004 0.000 0.986 474 H CA 1.374 57.431 56.048 0.015 0.000 1.397 474 H CB 0.039 29.803 29.762 0.002 0.000 1.377 474 H HN 0.576 nan 8.280 nan 0.000 0.585 475 Y N 6.069 126.002 120.300 -0.612 0.000 2.867 475 Y HA 0.095 4.459 4.550 -0.310 0.000 0.351 475 Y C 1.228 176.794 175.900 -0.556 0.000 1.046 475 Y CA -0.183 57.590 58.100 -0.545 0.000 1.520 475 Y CB -0.454 37.534 38.460 -0.786 0.000 1.337 475 Y HN 0.918 nan 8.280 nan 0.000 0.525 476 D N 1.237 121.430 120.400 -0.344 0.000 2.401 476 D HA -0.247 4.206 4.640 -0.311 0.000 0.217 476 D C -0.079 176.063 176.300 -0.264 0.000 0.978 476 D CA 1.154 55.145 54.000 -0.015 0.000 0.951 476 D CB 0.197 41.226 40.800 0.382 0.000 0.879 476 D HN 0.671 nan 8.370 nan 0.000 0.497 477 R N -2.335 117.769 120.500 -0.659 0.000 3.288 477 R HA 0.156 4.309 4.340 -0.311 0.000 0.284 477 R C -1.490 174.379 176.300 -0.718 0.000 0.967 477 R CA -0.651 55.119 56.100 -0.550 0.000 0.836 477 R CB -0.826 29.323 30.300 -0.252 0.000 1.344 477 R HN -0.313 nan 8.270 nan 0.000 0.534 478 D N 1.202 121.356 120.400 -0.411 0.000 5.561 478 D HA -0.057 4.397 4.640 -0.311 0.000 0.166 478 D C -0.381 175.773 176.300 -0.244 0.000 1.127 478 D CA 2.065 55.919 54.000 -0.243 0.000 0.720 478 D CB 0.257 40.982 40.800 -0.126 0.000 1.322 478 D HN 0.654 nan 8.370 nan 0.000 0.745 479 R N 2.750 123.170 120.500 -0.134 0.000 3.791 479 R HA -0.000 4.153 4.340 -0.311 0.000 0.261 479 R C -1.352 175.143 176.300 0.325 0.000 0.979 479 R CA -0.784 55.334 56.100 0.030 0.000 1.020 479 R CB -0.365 29.899 30.300 -0.059 0.000 1.256 479 R HN 0.122 nan 8.270 nan 0.000 0.563 480 F N 5.353 125.383 119.950 0.133 0.000 2.477 480 F HA 0.006 4.346 4.527 -0.312 0.000 0.392 480 F C 0.416 176.365 175.800 0.248 0.000 1.028 480 F CA 0.309 58.404 58.000 0.159 0.000 1.069 480 F CB -0.243 38.809 39.000 0.087 0.000 0.970 480 F HN 0.561 nan 8.300 nan 0.000 0.540 481 F N 4.434 124.390 119.950 0.010 0.000 2.387 481 F HA -0.004 4.337 4.527 -0.309 0.000 0.294 481 F C 2.086 177.644 175.800 -0.403 0.000 1.093 481 F CA 0.634 58.448 58.000 -0.311 0.000 1.420 481 F CB 0.170 38.885 39.000 -0.474 0.000 1.086 481 F HN 0.604 nan 8.300 nan 0.000 0.531 482 A N 1.649 124.233 122.820 -0.393 0.000 1.915 482 A HA -0.254 3.879 4.320 -0.311 0.000 0.220 482 A C -0.748 176.579 177.584 -0.429 0.000 1.198 482 A CA 2.189 53.943 52.037 -0.471 0.000 0.647 482 A CB -2.219 16.479 19.000 -0.502 0.000 0.825 482 A HN 0.315 nan 8.150 nan 0.000 0.456 483 P HA -0.020 nan 4.420 nan 0.000 0.226 483 P C 0.197 177.401 177.300 -0.160 0.000 1.153 483 P CA 1.214 64.140 63.100 -0.290 0.000 0.777 483 P CB -0.034 31.501 31.700 -0.275 0.000 0.794 484 D N -0.588 119.745 120.400 -0.112 0.000 2.103 484 D HA -0.054 4.399 4.640 -0.311 0.000 0.199 484 D C 1.984 178.194 176.300 -0.149 0.000 0.978 484 D CA 0.881 54.859 54.000 -0.036 0.000 0.829 484 D CB -0.687 40.261 40.800 0.246 0.000 0.981 484 D HN 0.131 nan 8.370 nan 0.000 0.464 485 I N 0.920 121.320 120.570 -0.283 0.000 2.127 485 I HA -0.274 3.710 4.170 -0.311 0.000 0.241 485 I C 2.440 178.464 176.117 -0.155 0.000 1.075 485 I CA 1.274 62.416 61.300 -0.263 0.000 1.334 485 I CB -0.383 37.414 38.000 -0.338 0.000 1.040 485 I HN 0.053 nan 8.210 nan 0.000 0.405 486 E N 1.454 121.558 120.200 -0.158 0.000 2.086 486 E HA -0.301 3.863 4.350 -0.311 0.000 0.200 486 E C 2.242 178.795 176.600 -0.077 0.000 1.012 486 E CA 1.587 57.923 56.400 -0.108 0.000 0.812 486 E CB 0.043 29.674 29.700 -0.115 0.000 0.743 486 E HN 0.136 nan 8.360 nan 0.000 0.453 487 K N 0.220 120.567 120.400 -0.088 0.000 2.057 487 K HA -0.031 4.103 4.320 -0.311 0.000 0.206 487 K C 1.979 178.542 176.600 -0.062 0.000 1.050 487 K CA 1.234 57.479 56.287 -0.071 0.000 0.935 487 K CB -0.604 31.847 32.500 -0.082 0.000 0.715 487 K HN 0.261 nan 8.250 nan 0.000 0.439 488 A N 0.567 123.330 122.820 -0.094 0.000 1.902 488 A HA -0.124 4.009 4.320 -0.311 0.000 0.217 488 A C 2.453 180.121 177.584 0.141 0.000 1.181 488 A CA 1.736 53.733 52.037 -0.066 0.000 0.623 488 A CB -0.700 18.235 19.000 -0.108 0.000 0.818 488 A HN 0.082 nan 8.150 nan 0.000 0.443 489 V N 0.110 120.059 119.914 0.059 0.000 2.287 489 V HA -0.326 3.608 4.120 -0.311 0.000 0.248 489 V C 2.565 178.695 176.094 0.059 0.000 1.053 489 V CA 2.504 64.838 62.300 0.056 0.000 1.027 489 V CB -0.730 31.089 31.823 -0.006 0.000 0.646 489 V HN 0.806 nan 8.190 nan 0.000 0.447 490 E N -0.042 120.179 120.200 0.035 0.000 2.038 490 E HA -0.241 3.922 4.350 -0.311 0.000 0.195 490 E C 2.265 178.906 176.600 0.069 0.000 1.000 490 E CA 1.739 58.156 56.400 0.028 0.000 0.803 490 E CB -0.188 29.517 29.700 0.008 0.000 0.750 490 E HN 0.563 nan 8.360 nan 0.000 0.448 491 L N 0.683 121.982 121.223 0.127 0.000 2.042 491 L HA -0.239 3.915 4.340 -0.311 0.000 0.210 491 L C 2.747 179.739 176.870 0.203 0.000 1.076 491 L CA 0.995 55.958 54.840 0.205 0.000 0.749 491 L CB -0.525 41.735 42.059 0.336 0.000 0.893 491 L HN 0.329 nan 8.230 nan 0.000 0.432 492 L N -0.291 121.076 121.223 0.241 0.000 2.042 492 L HA -0.231 3.922 4.340 -0.311 0.000 0.210 492 L C 2.805 179.688 176.870 0.020 0.000 1.076 492 L CA 1.432 56.315 54.840 0.070 0.000 0.749 492 L CB -0.663 41.439 42.059 0.073 0.000 0.893 492 L HN 0.288 nan 8.230 nan 0.000 0.432 493 A N -0.367 122.467 122.820 0.024 0.000 2.067 493 A HA -0.170 3.963 4.320 -0.311 0.000 0.219 493 A C 2.031 179.618 177.584 0.005 0.000 1.158 493 A CA 1.211 53.243 52.037 -0.009 0.000 0.661 493 A CB -0.221 18.761 19.000 -0.031 0.000 0.801 493 A HN 0.260 nan 8.150 nan 0.000 0.452 494 K N -0.967 119.445 120.400 0.020 0.000 2.458 494 K HA 0.270 4.403 4.320 -0.311 0.000 0.194 494 K C 0.948 177.555 176.600 0.013 0.000 1.024 494 K CA 0.572 56.868 56.287 0.015 0.000 1.108 494 K CB -0.061 32.453 32.500 0.024 0.000 0.846 494 K HN 0.581 nan 8.250 nan 0.000 0.518 495 G N 0.663 109.468 108.800 0.008 0.000 2.160 495 G HA2 -0.343 3.430 3.960 -0.311 0.000 0.251 495 G HA3 -0.343 3.430 3.960 -0.311 0.000 0.251 495 G C 0.937 175.824 174.900 -0.022 0.000 1.008 495 G CA 0.617 45.710 45.100 -0.010 0.000 0.724 495 G HN 0.313 nan 8.290 nan 0.000 0.514 496 S N -0.787 114.915 115.700 0.003 0.000 2.390 496 S HA -0.183 4.100 4.470 -0.311 0.000 0.234 496 S C 2.275 176.848 174.600 -0.045 0.000 1.063 496 S CA 1.927 60.144 58.200 0.029 0.000 1.108 496 S CB -0.190 63.108 63.200 0.163 0.000 0.975 496 S HN 0.677 nan 8.310 nan 0.000 0.442 497 L N 0.521 121.645 121.223 -0.165 0.000 2.592 497 L HA 0.076 4.229 4.340 -0.311 0.000 0.227 497 L C 2.276 179.061 176.870 -0.141 0.000 1.127 497 L CA 0.483 55.197 54.840 -0.209 0.000 0.884 497 L CB -0.578 41.231 42.059 -0.417 0.000 1.065 497 L HN 0.314 nan 8.230 nan 0.000 0.457 498 T N 0.244 114.740 114.554 -0.097 0.000 2.720 498 T HA -0.165 3.999 4.350 -0.311 0.000 0.268 498 T C 1.917 176.584 174.700 -0.054 0.000 1.037 498 T CA 1.584 63.645 62.100 -0.065 0.000 1.144 498 T CB -0.378 68.467 68.868 -0.038 0.000 0.864 498 T HN 0.561 nan 8.240 nan 0.000 0.444 499 G N 0.951 109.723 108.800 -0.047 0.000 2.535 499 G HA2 -0.052 3.721 3.960 -0.311 0.000 0.218 499 G HA3 -0.052 3.721 3.960 -0.311 0.000 0.218 499 G C 1.351 176.226 174.900 -0.042 0.000 1.122 499 G CA 0.251 45.329 45.100 -0.037 0.000 0.769 499 G HN 0.465 nan 8.290 nan 0.000 0.549 500 L N -0.610 120.578 121.223 -0.059 0.000 2.313 500 L HA 0.225 4.379 4.340 -0.311 0.000 0.214 500 L C 1.126 177.954 176.870 -0.069 0.000 1.119 500 L CA -0.413 54.390 54.840 -0.062 0.000 0.809 500 L CB -0.240 41.771 42.059 -0.080 0.000 0.933 500 L HN 0.135 nan 8.230 nan 0.000 0.449 501 L N 1.564 122.745 121.223 -0.071 0.000 2.410 501 L HA 0.232 4.385 4.340 -0.311 0.000 0.273 501 L C -1.967 174.878 176.870 -0.041 0.000 1.152 501 L CA -1.399 53.403 54.840 -0.063 0.000 0.855 501 L CB 0.063 42.102 42.059 -0.034 0.000 1.129 501 L HN -0.207 nan 8.230 nan 0.000 0.463 502 P HA 0.110 nan 4.420 nan 0.000 0.266 502 P C -0.977 176.311 177.300 -0.021 0.000 1.193 502 P CA -0.114 62.970 63.100 -0.026 0.000 0.770 502 P CB 0.426 32.111 31.700 -0.024 0.000 0.836 503 A N 2.533 125.342 122.820 -0.019 0.000 2.366 503 A HA 0.478 4.612 4.320 -0.311 0.000 0.249 503 A C 1.358 178.931 177.584 -0.019 0.000 1.084 503 A CA 0.308 52.334 52.037 -0.019 0.000 0.794 503 A CB -0.977 18.012 19.000 -0.018 0.000 1.034 503 A HN 0.891 nan 8.150 nan 0.000 0.491 504 G N -0.002 108.784 108.800 -0.023 0.000 2.221 504 G HA2 -0.167 3.606 3.960 -0.311 0.000 0.265 504 G HA3 -0.167 3.606 3.960 -0.311 0.000 0.265 504 G C 0.483 175.364 174.900 -0.031 0.000 1.041 504 G CA 0.468 45.553 45.100 -0.024 0.000 0.807 504 G HN 1.165 nan 8.290 nan 0.000 0.502 505 V N -0.562 119.328 119.914 -0.040 0.000 2.581 505 V HA 0.317 4.251 4.120 -0.311 0.000 0.240 505 V C 1.659 177.690 176.094 -0.105 0.000 1.054 505 V CA 1.153 63.417 62.300 -0.059 0.000 1.076 505 V CB -0.007 31.791 31.823 -0.041 0.000 0.748 505 V HN 0.370 nan 8.190 nan 0.000 0.474 506 L N 0.946 122.107 121.223 -0.104 0.000 2.334 506 L HA 0.259 4.412 4.340 -0.311 0.000 0.277 506 L C -1.383 175.449 176.870 -0.063 0.000 1.075 506 L CA -1.518 53.250 54.840 -0.120 0.000 0.804 506 L CB 0.939 42.939 42.059 -0.099 0.000 1.174 506 L HN 0.049 nan 8.230 nan 0.000 0.438 507 P HA -0.218 nan 4.420 nan 0.000 0.215 507 P C 1.420 178.720 177.300 0.001 0.000 1.163 507 P CA 1.389 64.480 63.100 -0.016 0.000 0.894 507 P CB 0.204 31.905 31.700 0.001 0.000 0.791 508 S N -2.490 113.222 115.700 0.019 0.000 2.593 508 S HA 0.106 4.390 4.470 -0.311 0.000 0.217 508 S C 0.588 175.155 174.600 -0.054 0.000 0.966 508 S CA -0.048 58.150 58.200 -0.003 0.000 0.914 508 S CB -0.808 62.401 63.200 0.016 0.000 0.776 508 S HN -0.082 nan 8.310 nan 0.000 0.523 509 L N 0.000 121.199 121.223 -0.040 0.000 2.949 509 L HA 0.000 4.153 4.340 -0.311 0.000 0.249 509 L CA 0.000 54.813 54.840 -0.046 0.000 0.813 509 L CB 0.000 42.036 42.059 -0.038 0.000 0.961 509 L HN 0.000 nan 8.230 nan 0.000 0.502