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 3n2a_1_A DATA FIRST_RESID 6 DATA SEQUENCE TPQATSPLAA WLCYLEHLHS QPIELGLERV KQVAERLDLL KPAPKIFTVA DATA SEQUENCE GTNGKGTTCC TLEAILLAAG LRVGVYSSPH LLRYTERVRI QGQELSEAEH DATA SEQUENCE SHSFAQIEAG RGDISLTYFE FGTLSALQLF KQAKLDVVIL EVGLGGRLDA DATA SEQUENCE TNIVDSDVAA ITSIALDHTD WLGYDRESIG REKAGVFRGG KPAVVGEPDM DATA SEQUENCE PQSIADVAAE LGAQLYRRDV AWKFSQXXXX XXXXXXXXXX NGWHWQCGER DATA SEQUENCE QLTGLPVPNV PLANAATALA VLHYSELPLS DEAIRQGLQA ASLPGRFQVV DATA SEQUENCE SEQPLLILDV AHNPHAARYL VNRLAQVXXX XXXXXXGKVR AVVGMLSDKD DATA SEQUENCE IAGTLACLSE RVDEWYCAPL EGPRGASAGQ LAEHLVSARQ FSDVETAWRQ DATA SEQUENCE AMQDADTQDV VIVCGSFHTV AHVMAALHL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 T HA 0.000 nan 4.350 nan 0.000 0.228 6 T C 0.000 174.284 174.700 -0.694 0.000 1.109 6 T CA 0.000 61.728 62.100 -0.620 0.000 1.349 6 T CB 0.000 68.597 68.868 -0.453 0.000 0.612 7 P HA 0.509 nan 4.420 nan 0.000 0.273 7 P C -0.475 176.375 177.300 -0.749 0.000 1.250 7 P CA -0.476 61.977 63.100 -1.077 0.000 0.793 7 P CB 0.633 31.203 31.700 -1.884 0.000 1.011 8 Q N -0.830 118.773 119.800 -0.327 0.000 2.572 8 Q HA 0.647 4.986 4.340 -0.001 0.000 0.284 8 Q C 1.086 177.240 176.000 0.257 0.000 1.091 8 Q CA -0.875 54.946 55.803 0.030 0.000 0.840 8 Q CB 0.820 29.532 28.738 -0.042 0.000 1.433 8 Q HN 0.323 nan 8.270 nan 0.000 0.471 9 A N 0.171 123.051 122.820 0.101 0.000 1.940 9 A HA -0.192 4.128 4.320 -0.001 0.000 0.219 9 A C 1.883 179.318 177.584 -0.249 0.000 1.176 9 A CA 2.361 54.290 52.037 -0.180 0.000 0.631 9 A CB -1.173 17.556 19.000 -0.452 0.000 0.814 9 A HN 0.817 nan 8.150 nan 0.000 0.446 10 T N -2.674 111.823 114.554 -0.096 0.000 3.148 10 T HA 0.190 4.540 4.350 -0.001 0.000 0.253 10 T C 0.824 175.551 174.700 0.045 0.000 1.134 10 T CA 0.538 62.631 62.100 -0.010 0.000 1.051 10 T CB -0.321 68.551 68.868 0.007 0.000 0.959 10 T HN 0.182 nan 8.240 nan 0.000 0.525 11 S N 3.754 119.492 115.700 0.063 0.000 2.579 11 S HA 0.340 4.810 4.470 -0.001 0.000 0.275 11 S C -2.257 172.415 174.600 0.120 0.000 1.345 11 S CA -0.982 57.229 58.200 0.018 0.000 1.031 11 S CB 0.484 63.578 63.200 -0.176 0.000 0.892 11 S HN 0.362 nan 8.310 nan 0.000 0.529 12 P HA 0.060 nan 4.420 nan 0.000 0.269 12 P C 0.921 178.332 177.300 0.185 0.000 1.209 12 P CA -0.473 62.692 63.100 0.109 0.000 0.776 12 P CB 0.409 32.141 31.700 0.053 0.000 0.876 13 L N 3.454 124.804 121.223 0.212 0.000 2.081 13 L HA -0.213 4.126 4.340 -0.001 0.000 0.212 13 L C 2.297 179.262 176.870 0.157 0.000 1.080 13 L CA 2.433 57.422 54.840 0.248 0.000 0.754 13 L CB -1.685 40.477 42.059 0.171 0.000 0.893 13 L HN 0.478 nan 8.230 nan 0.000 0.433 14 A N -0.648 122.228 122.820 0.093 0.000 1.978 14 A HA -0.141 4.179 4.320 -0.001 0.000 0.220 14 A C 2.462 180.055 177.584 0.016 0.000 1.170 14 A CA 1.860 53.930 52.037 0.055 0.000 0.636 14 A CB -1.079 17.950 19.000 0.049 0.000 0.810 14 A HN 0.598 nan 8.150 nan 0.000 0.448 15 A N -1.435 121.370 122.820 -0.025 0.000 1.902 15 A HA -0.133 4.187 4.320 -0.001 0.000 0.217 15 A C 1.959 179.413 177.584 -0.217 0.000 1.181 15 A CA 1.311 53.260 52.037 -0.147 0.000 0.623 15 A CB -0.869 17.987 19.000 -0.239 0.000 0.818 15 A HN 0.737 nan 8.150 nan 0.000 0.443 16 W N 0.164 121.367 121.300 -0.161 0.000 2.358 16 W HA -0.110 4.550 4.660 -0.001 0.000 0.303 16 W C 2.102 178.380 176.519 -0.402 0.000 1.208 16 W CA 1.236 58.391 57.345 -0.317 0.000 1.274 16 W CB -0.321 28.901 29.460 -0.397 0.000 1.138 16 W HN 0.217 nan 8.180 nan 0.000 0.515 17 L N -1.097 120.072 121.223 -0.090 0.000 2.093 17 L HA -0.220 4.119 4.340 -0.001 0.000 0.208 17 L C 2.507 179.380 176.870 0.005 0.000 1.085 17 L CA 1.014 55.774 54.840 -0.133 0.000 0.755 17 L CB -1.225 40.816 42.059 -0.030 0.000 0.904 17 L HN 0.144 nan 8.230 nan 0.000 0.435 18 C N -0.540 118.784 119.300 0.040 0.000 2.429 18 C HA -0.257 4.203 4.460 -0.001 0.000 0.277 18 C C 2.886 177.964 174.990 0.145 0.000 1.262 18 C CA 0.721 59.811 59.018 0.120 0.000 1.733 18 C CB -0.693 27.075 27.740 0.046 0.000 2.010 18 C HN 0.606 nan 8.230 nan 0.000 0.483 19 Y N 1.421 121.641 120.300 -0.135 0.000 2.145 19 Y HA -0.089 4.461 4.550 -0.001 0.000 0.286 19 Y C 2.124 177.944 175.900 -0.134 0.000 1.145 19 Y CA 1.988 59.976 58.100 -0.186 0.000 1.148 19 Y CB -0.616 37.625 38.460 -0.364 0.000 0.981 19 Y HN 0.312 nan 8.280 nan 0.000 0.507 20 L N -0.177 120.852 121.223 -0.324 0.000 2.056 20 L HA -0.187 4.152 4.340 -0.001 0.000 0.207 20 L C 2.313 179.175 176.870 -0.013 0.000 1.078 20 L CA 1.728 56.315 54.840 -0.423 0.000 0.749 20 L CB -0.593 41.015 42.059 -0.752 0.000 0.901 20 L HN 0.218 nan 8.230 nan 0.000 0.433 21 E N -0.877 119.412 120.200 0.148 0.000 2.204 21 E HA -0.179 4.170 4.350 -0.001 0.000 0.195 21 E C 1.657 178.231 176.600 -0.044 0.000 0.990 21 E CA 0.728 57.222 56.400 0.155 0.000 0.821 21 E CB 0.082 29.853 29.700 0.118 0.000 0.750 21 E HN 0.522 nan 8.360 nan 0.000 0.477 22 H N -0.472 118.575 119.070 -0.039 0.000 2.529 22 H HA 0.130 4.686 4.556 -0.001 0.000 0.277 22 H C 0.105 175.392 175.328 -0.068 0.000 1.004 22 H CA -0.123 55.896 56.048 -0.049 0.000 1.167 22 H CB 0.212 29.945 29.762 -0.049 0.000 1.445 22 H HN 0.084 nan 8.280 nan 0.000 0.554 23 L N 1.793 123.001 121.223 -0.025 0.000 2.499 23 L HA -0.072 4.267 4.340 -0.001 0.000 0.273 23 L C 0.901 177.828 176.870 0.095 0.000 1.195 23 L CA 0.156 54.979 54.840 -0.028 0.000 0.882 23 L CB 0.227 42.248 42.059 -0.063 0.000 1.133 23 L HN 0.175 nan 8.230 nan 0.000 0.483 24 H N 2.108 121.175 119.070 -0.006 0.000 2.882 24 H HA 0.174 4.730 4.556 -0.001 0.000 0.258 24 H C 0.557 175.896 175.328 0.017 0.000 1.579 24 H CA -0.416 55.637 56.048 0.008 0.000 1.340 24 H CB 0.456 30.227 29.762 0.014 0.000 1.645 24 H HN 0.551 nan 8.280 nan 0.000 0.541 25 S N 2.585 118.320 115.700 0.058 0.000 2.524 25 S HA -0.049 4.420 4.470 -0.001 0.000 0.216 25 S C 1.874 176.431 174.600 -0.071 0.000 0.987 25 S CA 0.009 58.202 58.200 -0.013 0.000 0.909 25 S CB 0.246 63.479 63.200 0.054 0.000 0.781 25 S HN 0.681 nan 8.310 nan 0.000 0.521 26 Q N 1.333 121.084 119.800 -0.082 0.000 2.112 26 Q HA -0.111 4.229 4.340 -0.001 0.000 0.206 26 Q C -0.554 175.378 176.000 -0.113 0.000 0.987 26 Q CA 1.500 57.268 55.803 -0.059 0.000 0.858 26 Q CB -0.917 27.849 28.738 0.045 0.000 0.905 26 Q HN 0.506 nan 8.270 nan 0.000 0.420 27 P HA 0.091 nan 4.420 nan 0.000 0.257 27 P C 0.420 177.659 177.300 -0.102 0.000 1.241 27 P CA 0.138 63.150 63.100 -0.147 0.000 0.816 27 P CB -0.203 31.384 31.700 -0.188 0.000 1.150 28 I N -2.207 118.304 120.570 -0.098 0.000 2.938 28 I HA 0.420 4.589 4.170 -0.001 0.000 0.285 28 I C 0.240 176.339 176.117 -0.029 0.000 1.182 28 I CA -0.773 60.495 61.300 -0.052 0.000 1.388 28 I CB 0.077 38.058 38.000 -0.033 0.000 1.390 28 I HN -0.154 nan 8.210 nan 0.000 0.600 29 E N 5.735 125.925 120.200 -0.016 0.000 2.415 29 E HA 0.190 4.539 4.350 -0.001 0.000 0.260 29 E C -0.498 176.099 176.600 -0.005 0.000 1.016 29 E CA -0.530 55.864 56.400 -0.011 0.000 0.924 29 E CB 0.494 30.191 29.700 -0.006 0.000 0.961 29 E HN 0.606 nan 8.360 nan 0.000 0.459 30 L N 3.145 124.362 121.223 -0.009 0.000 2.499 30 L HA 0.515 4.855 4.340 -0.001 0.000 0.273 30 L C 0.958 177.829 176.870 0.001 0.000 1.195 30 L CA 1.891 56.727 54.840 -0.007 0.000 0.882 30 L CB -0.004 42.044 42.059 -0.019 0.000 1.133 30 L HN 1.269 nan 8.230 nan 0.000 0.483 31 G N 3.647 112.454 108.800 0.011 0.000 2.343 31 G HA2 -0.118 3.842 3.960 -0.001 0.000 0.562 31 G HA3 -0.118 3.842 3.960 -0.001 0.000 0.562 31 G C -0.097 174.820 174.900 0.029 0.000 1.269 31 G CA -0.362 44.748 45.100 0.017 0.000 1.011 31 G HN 0.655 nan 8.290 nan 0.000 0.498 32 L N 0.482 121.722 121.223 0.029 0.000 2.607 32 L HA 0.185 4.524 4.340 -0.001 0.000 0.228 32 L C 2.362 179.246 176.870 0.022 0.000 1.123 32 L CA 0.122 54.983 54.840 0.035 0.000 0.890 32 L CB -0.098 41.984 42.059 0.038 0.000 1.103 32 L HN 0.541 nan 8.230 nan 0.000 0.468 33 E N 1.011 121.221 120.200 0.016 0.000 2.085 33 E HA -0.210 4.140 4.350 -0.001 0.000 0.194 33 E C 2.131 178.734 176.600 0.005 0.000 0.994 33 E CA 1.246 57.652 56.400 0.009 0.000 0.801 33 E CB -0.050 29.654 29.700 0.006 0.000 0.743 33 E HN 0.478 nan 8.360 nan 0.000 0.453 34 R N 0.227 120.731 120.500 0.007 0.000 2.061 34 R HA -0.056 4.283 4.340 -0.001 0.000 0.230 34 R C 2.541 178.836 176.300 -0.008 0.000 1.140 34 R CA 1.228 57.330 56.100 0.002 0.000 0.940 34 R CB -0.732 29.573 30.300 0.009 0.000 0.839 34 R HN 0.050 nan 8.270 nan 0.000 0.429 35 V N 1.566 121.480 119.914 -0.001 0.000 2.427 35 V HA -0.242 3.878 4.120 -0.001 0.000 0.248 35 V C 2.248 178.328 176.094 -0.023 0.000 1.051 35 V CA 1.752 64.041 62.300 -0.018 0.000 1.048 35 V CB -0.293 31.532 31.823 0.003 0.000 0.666 35 V HN 0.273 nan 8.190 nan 0.000 0.456 36 K N -0.489 119.907 120.400 -0.006 0.000 2.032 36 K HA -0.293 4.027 4.320 -0.001 0.000 0.209 36 K C 2.283 178.874 176.600 -0.016 0.000 1.048 36 K CA 2.322 58.605 56.287 -0.007 0.000 0.927 36 K CB -0.271 32.232 32.500 0.004 0.000 0.712 36 K HN 0.648 nan 8.250 nan 0.000 0.441 37 Q N 0.173 119.964 119.800 -0.015 0.000 2.096 37 Q HA -0.156 4.183 4.340 -0.001 0.000 0.204 37 Q C 1.887 177.870 176.000 -0.029 0.000 0.982 37 Q CA 1.853 57.645 55.803 -0.017 0.000 0.850 37 Q CB 0.099 28.830 28.738 -0.013 0.000 0.901 37 Q HN 0.203 nan 8.270 nan 0.000 0.422 38 V N 0.858 120.747 119.914 -0.042 0.000 2.358 38 V HA -0.248 3.872 4.120 -0.001 0.000 0.246 38 V C 2.366 178.419 176.094 -0.067 0.000 1.047 38 V CA 1.682 63.944 62.300 -0.064 0.000 1.035 38 V CB -1.108 30.655 31.823 -0.100 0.000 0.658 38 V HN 0.524 nan 8.190 nan 0.000 0.452 39 A N -0.353 122.429 122.820 -0.063 0.000 1.908 39 A HA -0.260 4.059 4.320 -0.001 0.000 0.218 39 A C 2.193 179.751 177.584 -0.043 0.000 1.181 39 A CA 1.985 53.986 52.037 -0.059 0.000 0.627 39 A CB -0.472 18.498 19.000 -0.049 0.000 0.818 39 A HN 0.623 nan 8.150 nan 0.000 0.445 40 E N -0.843 119.338 120.200 -0.032 0.000 2.051 40 E HA -0.205 4.145 4.350 -0.001 0.000 0.192 40 E C 2.328 178.913 176.600 -0.026 0.000 0.991 40 E CA 1.168 57.553 56.400 -0.024 0.000 0.799 40 E CB -0.148 29.542 29.700 -0.017 0.000 0.748 40 E HN 0.515 nan 8.360 nan 0.000 0.449 41 R N 0.284 120.766 120.500 -0.029 0.000 2.105 41 R HA -0.089 4.251 4.340 -0.001 0.000 0.239 41 R C 1.902 178.183 176.300 -0.032 0.000 1.135 41 R CA 1.021 57.104 56.100 -0.028 0.000 0.967 41 R CB 0.005 30.287 30.300 -0.030 0.000 0.861 41 R HN 0.147 nan 8.270 nan 0.000 0.442 42 L N -0.359 120.838 121.223 -0.042 0.000 2.640 42 L HA 0.115 4.455 4.340 -0.001 0.000 0.230 42 L C -0.083 176.761 176.870 -0.044 0.000 1.123 42 L CA -0.170 54.642 54.840 -0.047 0.000 0.900 42 L CB 0.227 42.246 42.059 -0.066 0.000 1.146 42 L HN 0.203 nan 8.230 nan 0.000 0.484 43 D N 0.741 121.120 120.400 -0.036 0.000 2.705 43 D HA -0.214 4.425 4.640 -0.001 0.000 0.240 43 D C 0.408 176.686 176.300 -0.036 0.000 1.137 43 D CA 0.605 54.587 54.000 -0.031 0.000 0.677 43 D CB -1.000 39.784 40.800 -0.027 0.000 1.049 43 D HN 0.279 nan 8.370 nan 0.000 0.427 44 L N -0.140 121.058 121.223 -0.042 0.000 2.640 44 L HA 0.206 4.545 4.340 -0.001 0.000 0.230 44 L C 2.022 178.874 176.870 -0.030 0.000 1.123 44 L CA -0.260 54.552 54.840 -0.046 0.000 0.900 44 L CB 0.053 42.070 42.059 -0.071 0.000 1.146 44 L HN 0.218 nan 8.230 nan 0.000 0.484 45 L N -0.233 120.977 121.223 -0.022 0.000 2.554 45 L HA -0.015 4.325 4.340 -0.001 0.000 0.226 45 L C 0.413 177.279 176.870 -0.008 0.000 1.137 45 L CA 0.779 55.612 54.840 -0.012 0.000 0.863 45 L CB -0.014 42.041 42.059 -0.008 0.000 0.985 45 L HN 0.123 nan 8.230 nan 0.000 0.451 46 K N -0.192 120.201 120.400 -0.013 0.000 2.877 46 K HA 0.194 4.514 4.320 -0.001 0.000 0.176 46 K C -1.645 174.943 176.600 -0.020 0.000 1.075 46 K CA -1.016 55.260 56.287 -0.018 0.000 0.939 46 K CB 0.672 33.160 32.500 -0.020 0.000 1.237 46 K HN -0.166 nan 8.250 nan 0.000 0.607 47 P HA -0.067 nan 4.420 nan 0.000 0.225 47 P C -0.285 176.991 177.300 -0.040 0.000 1.148 47 P CA 0.616 63.723 63.100 0.011 0.000 0.779 47 P CB 0.485 32.227 31.700 0.070 0.000 0.780 48 A N -0.842 121.929 122.820 -0.082 0.000 2.601 48 A HA 0.519 4.839 4.320 -0.001 0.000 0.291 48 A C -2.552 174.969 177.584 -0.105 0.000 1.075 48 A CA -0.875 51.096 52.037 -0.109 0.000 0.671 48 A CB 0.427 19.319 19.000 -0.180 0.000 1.277 48 A HN -0.291 nan 8.150 nan 0.000 0.417 49 P HA 0.097 nan 4.420 nan 0.000 0.229 49 P C -0.028 177.206 177.300 -0.111 0.000 1.160 49 P CA 1.149 64.198 63.100 -0.086 0.000 0.777 49 P CB 0.219 31.878 31.700 -0.069 0.000 0.814 50 K N 0.355 120.645 120.400 -0.183 0.000 2.426 50 K HA 0.530 4.850 4.320 -0.001 0.000 0.254 50 K C -1.320 175.036 176.600 -0.407 0.000 0.936 50 K CA -0.559 55.564 56.287 -0.273 0.000 0.801 50 K CB 0.732 33.031 32.500 -0.336 0.000 1.139 50 K HN -0.184 nan 8.250 nan 0.000 0.424 51 I N 4.619 124.980 120.570 -0.349 0.000 2.466 51 I HA 0.447 4.617 4.170 -0.001 0.000 0.289 51 I C -1.100 174.948 176.117 -0.116 0.000 1.026 51 I CA -0.822 60.315 61.300 -0.272 0.000 1.078 51 I CB 1.270 39.218 38.000 -0.087 0.000 1.249 51 I HN 0.397 nan 8.210 nan 0.000 0.429 52 F N 3.100 123.050 119.950 0.001 0.000 2.467 52 F HA 0.546 5.072 4.527 -0.001 0.000 0.336 52 F C 0.309 176.143 175.800 0.056 0.000 1.123 52 F CA -1.195 56.823 58.000 0.030 0.000 0.964 52 F CB 2.036 41.046 39.000 0.017 0.000 1.136 52 F HN 0.226 nan 8.300 nan 0.000 0.447 53 T N 3.275 118.000 114.554 0.285 0.000 2.807 53 T HA 0.616 4.965 4.350 -0.001 0.000 0.279 53 T C -0.745 174.077 174.700 0.203 0.000 0.993 53 T CA -0.563 61.669 62.100 0.219 0.000 0.970 53 T CB 1.635 70.622 68.868 0.198 0.000 0.950 53 T HN 0.241 nan 8.240 nan 0.000 0.441 54 V N 2.847 122.868 119.914 0.179 0.000 2.376 54 V HA 0.752 4.872 4.120 -0.001 0.000 0.287 54 V C 0.196 176.371 176.094 0.135 0.000 1.015 54 V CA -0.795 61.597 62.300 0.152 0.000 0.834 54 V CB 1.019 32.919 31.823 0.128 0.000 1.001 54 V HN 1.087 nan 8.190 nan 0.000 0.428 55 A N 3.519 126.418 122.820 0.131 0.000 2.282 55 A HA 1.079 5.399 4.320 -0.001 0.000 0.324 55 A C 0.330 177.969 177.584 0.092 0.000 1.119 55 A CA -0.131 51.965 52.037 0.099 0.000 0.880 55 A CB 1.741 20.783 19.000 0.070 0.000 1.294 55 A HN 1.770 nan 8.150 nan 0.000 0.493 56 G N -1.862 106.980 108.800 0.071 0.000 2.350 56 G HA2 0.393 4.352 3.960 -0.001 0.000 0.305 56 G HA3 0.393 4.352 3.960 -0.001 0.000 0.305 56 G C 0.047 174.981 174.900 0.056 0.000 1.479 56 G CA 0.265 45.404 45.100 0.064 0.000 0.949 56 G HN 0.775 nan 8.290 nan 0.000 0.651 57 T N 0.515 115.091 114.554 0.036 0.000 2.735 57 T HA 0.122 4.472 4.350 -0.001 0.000 0.256 57 T C 0.854 175.592 174.700 0.064 0.000 1.042 57 T CA 1.150 63.277 62.100 0.046 0.000 1.147 57 T CB -0.172 68.688 68.868 -0.013 0.000 0.865 57 T HN 0.438 nan 8.240 nan 0.000 0.421 58 N N -0.322 118.409 118.700 0.052 0.000 2.272 58 N HA 0.498 5.238 4.740 -0.001 0.000 0.305 58 N C 0.595 176.134 175.510 0.048 0.000 1.103 58 N CA 0.277 53.363 53.050 0.060 0.000 0.791 58 N CB 1.869 40.421 38.487 0.108 0.000 1.356 58 N HN 0.429 nan 8.380 nan 0.000 0.486 59 G N 0.636 109.447 108.800 0.018 0.000 2.159 59 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.227 59 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.227 59 G C 0.940 175.857 174.900 0.028 0.000 0.986 59 G CA 0.302 45.401 45.100 -0.003 0.000 0.651 59 G HN 0.544 nan 8.290 nan 0.000 0.523 60 K N 0.235 120.667 120.400 0.053 0.000 1.985 60 K HA 0.028 4.347 4.320 -0.001 0.000 0.210 60 K C 2.818 179.453 176.600 0.058 0.000 1.047 60 K CA 1.447 57.772 56.287 0.064 0.000 0.932 60 K CB -0.498 32.045 32.500 0.072 0.000 0.716 60 K HN 0.369 nan 8.250 nan 0.000 0.439 61 G N 1.166 110.005 108.800 0.064 0.000 2.476 61 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.218 61 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.218 61 G C 1.686 176.612 174.900 0.045 0.000 1.164 61 G CA 1.870 47.010 45.100 0.067 0.000 0.768 61 G HN 0.473 nan 8.290 nan 0.000 0.560 62 T N -1.895 112.672 114.554 0.021 0.000 2.942 62 T HA -0.043 4.307 4.350 -0.001 0.000 0.265 62 T C 2.314 177.007 174.700 -0.012 0.000 1.062 62 T CA 1.854 63.951 62.100 -0.005 0.000 1.139 62 T CB -0.600 68.245 68.868 -0.038 0.000 0.883 62 T HN 0.169 nan 8.240 nan 0.000 0.468 63 T N 1.511 116.062 114.554 -0.005 0.000 2.684 63 T HA -0.129 4.221 4.350 -0.001 0.000 0.267 63 T C 2.270 176.978 174.700 0.014 0.000 1.036 63 T CA 1.474 63.571 62.100 -0.004 0.000 1.148 63 T CB -0.959 67.919 68.868 0.016 0.000 0.863 63 T HN 0.509 nan 8.240 nan 0.000 0.436 64 C N 1.475 120.799 119.300 0.040 0.000 2.429 64 C HA -0.089 4.371 4.460 -0.001 0.000 0.277 64 C C 3.246 178.265 174.990 0.048 0.000 1.262 64 C CA 0.505 59.560 59.018 0.061 0.000 1.733 64 C CB -1.458 26.330 27.740 0.079 0.000 2.010 64 C HN 0.882 nan 8.230 nan 0.000 0.483 65 C N 0.112 119.433 119.300 0.036 0.000 2.446 65 C HA -0.037 4.423 4.460 -0.001 0.000 0.279 65 C C 2.574 177.574 174.990 0.016 0.000 1.366 65 C CA 1.452 60.488 59.018 0.030 0.000 1.763 65 C CB -1.741 26.016 27.740 0.028 0.000 1.929 65 C HN 0.592 nan 8.230 nan 0.000 0.509 66 T N 1.987 116.542 114.554 0.002 0.000 2.770 66 T HA 0.015 4.364 4.350 -0.001 0.000 0.263 66 T C 1.821 176.514 174.700 -0.012 0.000 1.039 66 T CA 1.631 63.723 62.100 -0.013 0.000 1.142 66 T CB -0.325 68.521 68.868 -0.036 0.000 0.868 66 T HN 0.563 nan 8.240 nan 0.000 0.435 67 L N 0.976 122.198 121.223 -0.002 0.000 1.990 67 L HA -0.188 4.152 4.340 -0.001 0.000 0.213 67 L C 2.845 179.741 176.870 0.042 0.000 1.072 67 L CA 1.773 56.628 54.840 0.026 0.000 0.755 67 L CB -0.572 41.536 42.059 0.081 0.000 0.889 67 L HN 0.365 nan 8.230 nan 0.000 0.432 68 E N 0.226 120.451 120.200 0.041 0.000 2.058 68 E HA -0.286 4.064 4.350 -0.001 0.000 0.194 68 E C 2.174 178.784 176.600 0.016 0.000 0.997 68 E CA 1.413 57.830 56.400 0.030 0.000 0.801 68 E CB -0.040 29.680 29.700 0.033 0.000 0.746 68 E HN 0.476 nan 8.360 nan 0.000 0.450 69 A N 0.930 123.758 122.820 0.012 0.000 1.902 69 A HA -0.148 4.172 4.320 -0.001 0.000 0.217 69 A C 2.171 179.753 177.584 -0.002 0.000 1.181 69 A CA 1.352 53.393 52.037 0.006 0.000 0.623 69 A CB -0.547 18.457 19.000 0.006 0.000 0.818 69 A HN 0.346 nan 8.150 nan 0.000 0.443 70 I N -0.526 120.038 120.570 -0.009 0.000 2.252 70 I HA -0.220 3.950 4.170 -0.001 0.000 0.245 70 I C 2.302 178.412 176.117 -0.013 0.000 1.102 70 I CA 0.987 62.275 61.300 -0.021 0.000 1.385 70 I CB -0.314 37.660 38.000 -0.043 0.000 1.064 70 I HN 0.270 nan 8.210 nan 0.000 0.414 71 L N 0.128 121.352 121.223 0.001 0.000 2.093 71 L HA -0.195 4.144 4.340 -0.001 0.000 0.208 71 L C 2.501 179.366 176.870 -0.009 0.000 1.085 71 L CA 1.176 56.017 54.840 0.002 0.000 0.755 71 L CB -0.485 41.583 42.059 0.015 0.000 0.904 71 L HN 0.250 nan 8.230 nan 0.000 0.435 72 L N -0.332 120.887 121.223 -0.006 0.000 2.017 72 L HA -0.188 4.152 4.340 -0.001 0.000 0.208 72 L C 2.911 179.776 176.870 -0.008 0.000 1.073 72 L CA 1.180 56.016 54.840 -0.006 0.000 0.745 72 L CB -0.747 41.312 42.059 0.000 0.000 0.894 72 L HN 0.242 nan 8.230 nan 0.000 0.432 73 A N 0.092 122.907 122.820 -0.008 0.000 1.986 73 A HA -0.194 4.126 4.320 -0.001 0.000 0.220 73 A C 2.295 179.870 177.584 -0.014 0.000 1.171 73 A CA 1.758 53.789 52.037 -0.010 0.000 0.640 73 A CB -0.647 18.345 19.000 -0.013 0.000 0.811 73 A HN 0.426 nan 8.150 nan 0.000 0.451 74 A N -1.782 121.028 122.820 -0.016 0.000 2.235 74 A HA 0.404 4.723 4.320 -0.001 0.000 0.208 74 A C 1.749 179.322 177.584 -0.017 0.000 1.172 74 A CA 1.167 53.194 52.037 -0.018 0.000 0.786 74 A CB -1.076 17.912 19.000 -0.020 0.000 0.804 74 A HN 1.941 nan 8.150 nan 0.000 0.479 75 G N -1.374 107.417 108.800 -0.015 0.000 2.136 75 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.242 75 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.242 75 G C 0.045 174.934 174.900 -0.019 0.000 0.989 75 G CA 0.361 45.452 45.100 -0.015 0.000 0.682 75 G HN 0.444 nan 8.290 nan 0.000 0.522 76 L N -0.407 120.802 121.223 -0.022 0.000 2.399 76 L HA 0.595 4.935 4.340 -0.001 0.000 0.265 76 L C 1.182 178.033 176.870 -0.033 0.000 1.089 76 L CA -1.034 53.787 54.840 -0.031 0.000 0.802 76 L CB 0.813 42.849 42.059 -0.038 0.000 1.180 76 L HN 0.050 nan 8.230 nan 0.000 0.454 77 R N 1.076 121.551 120.500 -0.042 0.000 2.221 77 R HA 0.526 4.865 4.340 -0.001 0.000 0.327 77 R C -1.250 175.011 176.300 -0.066 0.000 1.033 77 R CA -0.426 55.649 56.100 -0.041 0.000 0.887 77 R CB 1.257 31.535 30.300 -0.037 0.000 1.057 77 R HN 0.294 nan 8.270 nan 0.000 0.455 78 V N 1.720 121.600 119.914 -0.058 0.000 2.709 78 V HA 0.582 4.701 4.120 -0.001 0.000 0.308 78 V C 0.279 176.320 176.094 -0.087 0.000 1.062 78 V CA -0.972 61.273 62.300 -0.092 0.000 0.901 78 V CB 2.160 33.948 31.823 -0.059 0.000 1.003 78 V HN 0.930 nan 8.190 nan 0.000 0.425 79 G N 2.262 110.928 108.800 -0.225 0.000 2.452 79 G HA2 0.674 4.634 3.960 -0.001 0.000 0.324 79 G HA3 0.674 4.634 3.960 -0.001 0.000 0.324 79 G C -1.347 173.372 174.900 -0.302 0.000 1.214 79 G CA -0.595 44.351 45.100 -0.257 0.000 0.947 79 G HN 0.573 nan 8.290 nan 0.000 0.478 80 V N 2.082 122.040 119.914 0.074 0.000 2.487 80 V HA 0.362 4.482 4.120 -0.001 0.000 0.298 80 V C -1.198 175.187 176.094 0.484 0.000 1.028 80 V CA -0.932 61.469 62.300 0.169 0.000 0.860 80 V CB 1.504 33.407 31.823 0.132 0.000 0.991 80 V HN 0.711 nan 8.190 nan 0.000 0.427 81 Y N 4.343 124.854 120.300 0.351 0.000 2.330 81 Y HA 0.727 5.276 4.550 -0.001 0.000 0.336 81 Y C 0.314 176.338 175.900 0.208 0.000 1.036 81 Y CA -0.585 57.710 58.100 0.326 0.000 1.125 81 Y CB 1.692 40.374 38.460 0.369 0.000 1.194 81 Y HN 0.781 nan 8.280 nan 0.000 0.469 82 S N 2.935 118.522 115.700 -0.189 0.000 2.618 82 S HA 0.937 5.407 4.470 -0.001 0.000 0.277 82 S C -1.101 173.317 174.600 -0.303 0.000 1.138 82 S CA -0.416 57.664 58.200 -0.201 0.000 0.844 82 S CB 1.532 64.721 63.200 -0.018 0.000 1.127 82 S HN 1.087 nan 8.310 nan 0.000 0.474 83 S N -0.168 115.421 115.700 -0.185 0.000 2.552 83 S HA 0.779 5.248 4.470 -0.001 0.000 0.272 83 S C -3.221 171.240 174.600 -0.232 0.000 1.150 83 S CA -0.994 57.109 58.200 -0.162 0.000 0.849 83 S CB 0.978 64.133 63.200 -0.074 0.000 1.113 83 S HN 0.717 nan 8.310 nan 0.000 0.458 84 P HA 0.418 nan 4.420 nan 0.000 0.312 84 P C -0.853 176.278 177.300 -0.282 0.000 1.308 84 P CA -0.343 62.521 63.100 -0.393 0.000 0.743 84 P CB 0.293 31.606 31.700 -0.645 0.000 1.364 85 H N -2.052 116.900 119.070 -0.197 0.000 2.710 85 H HA 0.415 4.970 4.556 -0.001 0.000 0.361 85 H C 0.426 175.790 175.328 0.059 0.000 1.175 85 H CA -0.843 55.180 56.048 -0.041 0.000 1.206 85 H CB 1.121 30.862 29.762 -0.035 0.000 1.750 85 H HN 0.122 nan 8.280 nan 0.000 0.553 86 L N -0.209 121.172 121.223 0.262 0.000 2.187 86 L HA 0.094 4.434 4.340 -0.001 0.000 0.197 86 L C 2.197 179.163 176.870 0.159 0.000 1.090 86 L CA 0.550 55.502 54.840 0.188 0.000 0.781 86 L CB -0.042 42.097 42.059 0.133 0.000 0.956 86 L HN 0.483 nan 8.230 nan 0.000 0.463 87 L N -1.725 119.616 121.223 0.197 0.000 2.547 87 L HA 0.223 4.563 4.340 -0.001 0.000 0.218 87 L C 0.321 177.313 176.870 0.204 0.000 1.048 87 L CA 0.049 54.985 54.840 0.160 0.000 0.859 87 L CB 0.487 42.593 42.059 0.079 0.000 1.128 87 L HN 0.064 nan 8.230 nan 0.000 0.483 88 R N -1.511 119.083 120.500 0.157 0.000 2.575 88 R HA 0.175 4.515 4.340 -0.001 0.000 0.293 88 R C -0.072 176.016 176.300 -0.352 0.000 0.983 88 R CA -0.578 55.511 56.100 -0.018 0.000 0.887 88 R CB 1.671 31.970 30.300 -0.002 0.000 1.184 88 R HN -0.132 nan 8.270 nan 0.000 0.445 89 Y N 2.314 122.208 120.300 -0.677 0.000 2.207 89 Y HA -0.272 4.277 4.550 -0.001 0.000 0.287 89 Y C 2.242 177.904 175.900 -0.398 0.000 1.156 89 Y CA 2.554 60.192 58.100 -0.771 0.000 1.182 89 Y CB 0.122 38.367 38.460 -0.359 0.000 0.979 89 Y HN 0.749 nan 8.280 nan 0.000 0.521 90 T N -2.475 111.941 114.554 -0.231 0.000 2.946 90 T HA -0.202 4.148 4.350 -0.001 0.000 0.271 90 T C 1.393 176.025 174.700 -0.114 0.000 1.104 90 T CA 1.463 63.428 62.100 -0.224 0.000 1.114 90 T CB -0.487 68.338 68.868 -0.072 0.000 0.867 90 T HN 0.545 nan 8.240 nan 0.000 0.513 91 E N 1.041 121.166 120.200 -0.125 0.000 2.267 91 E HA -0.100 4.250 4.350 -0.001 0.000 0.197 91 E C 2.393 178.968 176.600 -0.042 0.000 0.998 91 E CA 0.709 57.087 56.400 -0.037 0.000 0.830 91 E CB -0.150 29.566 29.700 0.025 0.000 0.751 91 E HN 0.568 nan 8.360 nan 0.000 0.491 92 R N 0.251 120.650 120.500 -0.169 0.000 2.276 92 R HA 0.031 4.371 4.340 -0.001 0.000 0.203 92 R C -0.071 176.286 176.300 0.095 0.000 1.017 92 R CA 0.400 56.425 56.100 -0.126 0.000 1.010 92 R CB 0.516 30.607 30.300 -0.348 0.000 0.900 92 R HN -0.050 nan 8.270 nan 0.000 0.469 93 V N 1.847 121.834 119.914 0.122 0.000 2.419 93 V HA 0.301 4.420 4.120 -0.001 0.000 0.287 93 V C -0.415 175.788 176.094 0.181 0.000 1.017 93 V CA -0.760 61.655 62.300 0.192 0.000 0.844 93 V CB 1.737 33.603 31.823 0.071 0.000 1.011 93 V HN 0.115 nan 8.190 nan 0.000 0.429 94 R N 4.830 125.468 120.500 0.231 0.000 2.514 94 R HA 0.766 5.106 4.340 -0.001 0.000 0.301 94 R C -1.147 175.277 176.300 0.206 0.000 0.962 94 R CA -0.644 55.559 56.100 0.172 0.000 0.882 94 R CB 2.485 32.861 30.300 0.127 0.000 1.143 94 R HN 0.567 nan 8.270 nan 0.000 0.452 95 I N 2.986 123.641 120.570 0.140 0.000 2.498 95 I HA 0.099 4.269 4.170 -0.001 0.000 0.290 95 I C -0.066 176.089 176.117 0.064 0.000 1.032 95 I CA -0.698 60.674 61.300 0.119 0.000 1.073 95 I CB 2.030 40.100 38.000 0.117 0.000 1.251 95 I HN 0.543 nan 8.210 nan 0.000 0.426 96 Q N 4.088 123.913 119.800 0.041 0.000 2.461 96 Q HA -0.238 4.101 4.340 -0.001 0.000 0.273 96 Q C 1.014 177.032 176.000 0.030 0.000 1.163 96 Q CA 1.266 57.084 55.803 0.024 0.000 0.929 96 Q CB -1.744 27.004 28.738 0.017 0.000 1.334 96 Q HN 1.264 nan 8.270 nan 0.000 0.499 97 G N -1.577 107.248 108.800 0.042 0.000 2.179 97 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.260 97 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.260 97 G C -0.031 174.897 174.900 0.047 0.000 0.977 97 G CA 0.562 45.688 45.100 0.043 0.000 0.641 97 G HN 0.282 nan 8.290 nan 0.000 0.533 98 Q N 0.295 120.127 119.800 0.052 0.000 2.377 98 Q HA 0.495 4.834 4.340 -0.001 0.000 0.271 98 Q C 0.062 176.101 176.000 0.065 0.000 1.077 98 Q CA -0.614 55.219 55.803 0.050 0.000 0.820 98 Q CB 1.501 30.262 28.738 0.039 0.000 1.347 98 Q HN 0.623 nan 8.270 nan 0.000 0.444 99 E N 1.309 121.548 120.200 0.065 0.000 2.383 99 E HA 0.237 4.587 4.350 -0.001 0.000 0.264 99 E C -0.126 176.524 176.600 0.083 0.000 1.050 99 E CA -0.113 56.336 56.400 0.082 0.000 0.896 99 E CB 0.773 30.514 29.700 0.069 0.000 0.982 99 E HN 0.306 nan 8.360 nan 0.000 0.424 100 L N 1.140 122.435 121.223 0.119 0.000 2.431 100 L HA 0.246 4.585 4.340 -0.001 0.000 0.260 100 L C 0.719 177.671 176.870 0.137 0.000 1.098 100 L CA -0.803 54.091 54.840 0.089 0.000 0.800 100 L CB 0.904 42.964 42.059 0.003 0.000 1.210 100 L HN 0.574 nan 8.230 nan 0.000 0.465 101 S N -1.020 114.737 115.700 0.095 0.000 2.593 101 S HA 0.091 4.561 4.470 -0.001 0.000 0.269 101 S C 0.688 175.400 174.600 0.187 0.000 1.334 101 S CA -0.577 57.687 58.200 0.107 0.000 1.015 101 S CB 1.016 64.251 63.200 0.060 0.000 0.912 101 S HN 0.659 nan 8.310 nan 0.000 0.541 102 E N 1.440 121.735 120.200 0.158 0.000 2.110 102 E HA -0.151 4.198 4.350 -0.001 0.000 0.193 102 E C 2.308 179.025 176.600 0.196 0.000 0.988 102 E CA 1.236 57.744 56.400 0.181 0.000 0.804 102 E CB -0.467 29.310 29.700 0.130 0.000 0.745 102 E HN 0.840 nan 8.360 nan 0.000 0.458 103 A N 1.450 124.363 122.820 0.155 0.000 1.933 103 A HA -0.249 4.070 4.320 -0.001 0.000 0.218 103 A C 2.040 179.731 177.584 0.178 0.000 1.175 103 A CA 1.473 53.620 52.037 0.183 0.000 0.628 103 A CB -0.378 18.706 19.000 0.139 0.000 0.814 103 A HN 0.210 nan 8.150 nan 0.000 0.444 104 E N -1.172 119.060 120.200 0.053 0.000 2.150 104 E HA -0.201 4.148 4.350 -0.001 0.000 0.193 104 E C 1.825 178.339 176.600 -0.144 0.000 0.985 104 E CA 0.791 57.150 56.400 -0.067 0.000 0.814 104 E CB -0.183 29.432 29.700 -0.143 0.000 0.752 104 E HN 0.771 nan 8.360 nan 0.000 0.466 105 H N -0.411 118.602 119.070 -0.096 0.000 2.321 105 H HA -0.049 4.507 4.556 -0.001 0.000 0.300 105 H C 2.426 177.575 175.328 -0.298 0.000 1.087 105 H CA 1.526 57.419 56.048 -0.258 0.000 1.319 105 H CB 0.047 29.718 29.762 -0.151 0.000 1.379 105 H HN 0.126 nan 8.280 nan 0.000 0.501 106 S N -0.018 115.710 115.700 0.048 0.000 2.368 106 S HA -0.160 4.309 4.470 -0.001 0.000 0.225 106 S C 1.909 176.408 174.600 -0.169 0.000 1.030 106 S CA 1.150 59.317 58.200 -0.056 0.000 0.999 106 S CB -0.285 63.055 63.200 0.233 0.000 0.844 106 S HN 0.542 nan 8.310 nan 0.000 0.459 107 H N 0.557 119.571 119.070 -0.093 0.000 2.353 107 H HA 0.004 4.559 4.556 -0.001 0.000 0.300 107 H C 2.567 177.791 175.328 -0.173 0.000 1.090 107 H CA 1.556 57.551 56.048 -0.088 0.000 1.327 107 H CB -0.338 29.384 29.762 -0.067 0.000 1.383 107 H HN 0.285 nan 8.280 nan 0.000 0.508 108 S N -0.663 114.936 115.700 -0.167 0.000 2.355 108 S HA -0.143 4.326 4.470 -0.001 0.000 0.222 108 S C 1.844 176.265 174.600 -0.299 0.000 1.031 108 S CA 0.976 59.011 58.200 -0.274 0.000 0.993 108 S CB -0.353 62.591 63.200 -0.426 0.000 0.859 108 S HN 0.263 nan 8.310 nan 0.000 0.453 109 F N 2.124 121.782 119.950 -0.486 0.000 2.161 109 F HA 0.018 4.544 4.527 -0.001 0.000 0.300 109 F C 2.618 178.006 175.800 -0.687 0.000 1.089 109 F CA 0.664 58.235 58.000 -0.716 0.000 1.282 109 F CB -1.183 36.883 39.000 -1.557 0.000 1.010 109 F HN 0.284 nan 8.300 nan 0.000 0.485 110 A N -0.466 122.101 122.820 -0.422 0.000 1.933 110 A HA -0.228 4.092 4.320 -0.001 0.000 0.218 110 A C 2.143 179.761 177.584 0.057 0.000 1.175 110 A CA 1.596 53.646 52.037 0.021 0.000 0.628 110 A CB -0.741 18.330 19.000 0.118 0.000 0.814 110 A HN 0.482 nan 8.150 nan 0.000 0.444 111 Q N -0.593 119.197 119.800 -0.017 0.000 2.084 111 Q HA -0.126 4.213 4.340 -0.001 0.000 0.202 111 Q C 1.928 177.916 176.000 -0.019 0.000 0.978 111 Q CA 1.246 57.040 55.803 -0.015 0.000 0.844 111 Q CB -0.297 28.412 28.738 -0.049 0.000 0.898 111 Q HN 0.595 nan 8.270 nan 0.000 0.426 112 I N 0.943 121.494 120.570 -0.033 0.000 2.252 112 I HA -0.215 3.954 4.170 -0.001 0.000 0.245 112 I C 2.331 178.408 176.117 -0.066 0.000 1.102 112 I CA 1.360 62.592 61.300 -0.113 0.000 1.385 112 I CB -1.168 36.703 38.000 -0.214 0.000 1.064 112 I HN 0.228 nan 8.210 nan 0.000 0.414 113 E N 1.587 121.909 120.200 0.204 0.000 2.085 113 E HA -0.174 4.176 4.350 -0.001 0.000 0.194 113 E C 2.207 178.913 176.600 0.177 0.000 0.994 113 E CA 1.855 58.479 56.400 0.373 0.000 0.801 113 E CB -0.192 29.873 29.700 0.608 0.000 0.743 113 E HN 0.382 nan 8.360 nan 0.000 0.453 114 A N 0.091 122.983 122.820 0.120 0.000 1.898 114 A HA 0.013 4.332 4.320 -0.001 0.000 0.216 114 A C 2.497 180.099 177.584 0.031 0.000 1.181 114 A CA 1.657 53.736 52.037 0.070 0.000 0.620 114 A CB -1.288 17.743 19.000 0.053 0.000 0.819 114 A HN 0.416 nan 8.150 nan 0.000 0.442 115 G N 0.325 109.125 108.800 0.000 0.000 2.432 115 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.219 115 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.219 115 G C 1.669 176.548 174.900 -0.036 0.000 1.135 115 G CA 1.010 46.094 45.100 -0.027 0.000 0.767 115 G HN 0.751 nan 8.290 nan 0.000 0.550 116 R N 0.295 120.766 120.500 -0.047 0.000 2.189 116 R HA 0.274 4.614 4.340 -0.001 0.000 0.218 116 R C 1.828 178.128 176.300 -0.001 0.000 1.074 116 R CA 1.076 57.146 56.100 -0.050 0.000 0.991 116 R CB -0.613 29.631 30.300 -0.092 0.000 0.883 116 R HN 0.415 nan 8.270 nan 0.000 0.457 117 G N 2.096 110.910 108.800 0.023 0.000 2.596 117 G HA2 -0.450 3.510 3.960 -0.001 0.000 0.304 117 G HA3 -0.450 3.510 3.960 -0.001 0.000 0.304 117 G C 0.300 175.226 174.900 0.044 0.000 1.189 117 G CA 0.611 45.729 45.100 0.030 0.000 0.986 117 G HN 0.625 nan 8.290 nan 0.000 0.548 118 D N 0.916 121.336 120.400 0.034 0.000 2.339 118 D HA 0.178 4.818 4.640 -0.001 0.000 0.217 118 D C 1.179 177.502 176.300 0.037 0.000 1.050 118 D CA -0.046 53.977 54.000 0.039 0.000 0.856 118 D CB -0.168 40.649 40.800 0.029 0.000 0.922 118 D HN 0.612 nan 8.370 nan 0.000 0.518 119 I N 1.588 122.175 120.570 0.028 0.000 2.416 119 I HA 0.027 4.197 4.170 -0.001 0.000 0.288 119 I C 0.374 176.512 176.117 0.035 0.000 1.051 119 I CA -0.233 61.079 61.300 0.019 0.000 1.375 119 I CB 1.034 39.033 38.000 -0.001 0.000 1.407 119 I HN -0.187 nan 8.210 nan 0.000 0.516 120 S N 7.248 122.971 115.700 0.039 0.000 2.565 120 S HA 0.562 5.032 4.470 -0.001 0.000 0.276 120 S C -0.207 174.430 174.600 0.061 0.000 1.326 120 S CA -0.467 57.770 58.200 0.061 0.000 1.045 120 S CB 0.749 63.974 63.200 0.042 0.000 0.918 120 S HN 0.337 nan 8.310 nan 0.000 0.505 121 L N 1.950 123.239 121.223 0.110 0.000 2.388 121 L HA 0.500 4.840 4.340 -0.001 0.000 0.264 121 L C 0.655 177.647 176.870 0.202 0.000 0.998 121 L CA -0.953 53.965 54.840 0.130 0.000 0.817 121 L CB 2.308 44.412 42.059 0.076 0.000 1.338 121 L HN 0.706 nan 8.230 nan 0.000 0.414 122 T N -2.664 112.009 114.554 0.199 0.000 2.788 122 T HA 0.068 4.418 4.350 -0.001 0.000 0.287 122 T C 1.063 175.968 174.700 0.341 0.000 1.007 122 T CA 0.002 62.246 62.100 0.240 0.000 1.005 122 T CB 0.702 69.715 68.868 0.241 0.000 1.012 122 T HN 0.571 nan 8.240 nan 0.000 0.530 123 Y N 0.818 121.228 120.300 0.184 0.000 2.069 123 Y HA -0.225 4.324 4.550 -0.001 0.000 0.278 123 Y C 2.031 178.134 175.900 0.338 0.000 1.175 123 Y CA 2.021 60.238 58.100 0.196 0.000 1.134 123 Y CB -0.328 38.221 38.460 0.149 0.000 0.965 123 Y HN 0.718 nan 8.280 nan 0.000 0.498 124 F N 1.029 121.296 119.950 0.529 0.000 2.206 124 F HA -0.063 4.463 4.527 -0.001 0.000 0.298 124 F C 2.082 178.102 175.800 0.366 0.000 1.090 124 F CA 1.726 60.008 58.000 0.469 0.000 1.323 124 F CB -0.415 38.776 39.000 0.319 0.000 1.028 124 F HN 0.113 nan 8.300 nan 0.000 0.492 125 E N -0.295 120.062 120.200 0.261 0.000 2.038 125 E HA -0.261 4.089 4.350 -0.001 0.000 0.195 125 E C 2.217 178.857 176.600 0.066 0.000 1.000 125 E CA 1.812 58.269 56.400 0.095 0.000 0.803 125 E CB -0.539 29.237 29.700 0.127 0.000 0.750 125 E HN 0.456 nan 8.360 nan 0.000 0.448 126 F N 0.797 120.780 119.950 0.055 0.000 2.069 126 F HA -0.201 4.326 4.527 -0.001 0.000 0.298 126 F C 2.383 178.260 175.800 0.128 0.000 1.113 126 F CA 1.539 59.583 58.000 0.074 0.000 1.214 126 F CB -0.409 38.616 39.000 0.041 0.000 0.978 126 F HN 0.075 nan 8.300 nan 0.000 0.474 127 G N -1.475 107.572 108.800 0.412 0.000 2.442 127 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.219 127 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.219 127 G C 1.603 176.513 174.900 0.017 0.000 1.141 127 G CA 1.453 46.800 45.100 0.411 0.000 0.763 127 G HN 0.333 nan 8.290 nan 0.000 0.554 128 T N 1.240 115.658 114.554 -0.227 0.000 2.812 128 T HA 0.038 4.388 4.350 -0.001 0.000 0.264 128 T C 2.440 176.889 174.700 -0.419 0.000 1.042 128 T CA 0.680 62.446 62.100 -0.556 0.000 1.140 128 T CB -0.174 68.393 68.868 -0.502 0.000 0.870 128 T HN 0.142 nan 8.240 nan 0.000 0.445 129 L N 0.885 121.962 121.223 -0.242 0.000 2.046 129 L HA -0.117 4.223 4.340 -0.001 0.000 0.208 129 L C 2.881 179.602 176.870 -0.248 0.000 1.077 129 L CA 1.110 55.821 54.840 -0.216 0.000 0.747 129 L CB -0.685 41.256 42.059 -0.197 0.000 0.896 129 L HN 0.289 nan 8.230 nan 0.000 0.432 130 S N -0.219 115.347 115.700 -0.223 0.000 2.356 130 S HA -0.209 4.260 4.470 -0.001 0.000 0.223 130 S C 2.162 176.482 174.600 -0.466 0.000 1.032 130 S CA 1.318 59.314 58.200 -0.340 0.000 1.005 130 S CB -0.120 62.777 63.200 -0.505 0.000 0.867 130 S HN 0.444 nan 8.310 nan 0.000 0.449 131 A N 1.505 124.005 122.820 -0.535 0.000 1.908 131 A HA -0.032 4.287 4.320 -0.001 0.000 0.218 131 A C 2.215 179.281 177.584 -0.863 0.000 1.181 131 A CA 1.657 53.204 52.037 -0.817 0.000 0.627 131 A CB -0.892 17.485 19.000 -1.039 0.000 0.818 131 A HN 0.593 nan 8.150 nan 0.000 0.445 132 L N -1.136 119.805 121.223 -0.469 0.000 2.083 132 L HA -0.237 4.103 4.340 -0.001 0.000 0.209 132 L C 2.856 179.627 176.870 -0.166 0.000 1.083 132 L CA 1.733 56.467 54.840 -0.175 0.000 0.752 132 L CB -0.475 41.513 42.059 -0.118 0.000 0.899 132 L HN 0.528 nan 8.230 nan 0.000 0.433 133 Q N 0.659 120.314 119.800 -0.241 0.000 2.079 133 Q HA -0.160 4.180 4.340 -0.001 0.000 0.200 133 Q C 2.155 178.020 176.000 -0.225 0.000 0.974 133 Q CA 1.641 57.325 55.803 -0.200 0.000 0.840 133 Q CB -0.298 28.314 28.738 -0.210 0.000 0.898 133 Q HN 0.440 nan 8.270 nan 0.000 0.430 134 L N -0.543 120.460 121.223 -0.367 0.000 2.046 134 L HA -0.145 4.194 4.340 -0.001 0.000 0.208 134 L C 2.049 178.788 176.870 -0.219 0.000 1.077 134 L CA 0.953 55.569 54.840 -0.373 0.000 0.747 134 L CB -0.496 41.222 42.059 -0.568 0.000 0.896 134 L HN 0.224 nan 8.230 nan 0.000 0.432 135 F N 0.290 120.156 119.950 -0.140 0.000 2.102 135 F HA -0.209 4.317 4.527 -0.001 0.000 0.298 135 F C 2.602 178.344 175.800 -0.096 0.000 1.105 135 F CA 1.217 59.153 58.000 -0.107 0.000 1.239 135 F CB -0.933 38.007 39.000 -0.101 0.000 0.991 135 F HN -0.009 nan 8.300 nan 0.000 0.474 136 K N 0.807 121.260 120.400 0.089 0.000 2.020 136 K HA -0.280 4.039 4.320 -0.001 0.000 0.212 136 K C 2.114 178.710 176.600 -0.007 0.000 1.050 136 K CA 2.192 58.490 56.287 0.018 0.000 0.929 136 K CB -0.383 32.106 32.500 -0.019 0.000 0.714 136 K HN 0.515 nan 8.250 nan 0.000 0.443 137 Q N -0.695 119.086 119.800 -0.033 0.000 2.291 137 Q HA -0.053 4.286 4.340 -0.001 0.000 0.205 137 Q C 1.532 177.514 176.000 -0.030 0.000 0.970 137 Q CA 1.198 56.975 55.803 -0.043 0.000 0.876 137 Q CB -0.104 28.592 28.738 -0.070 0.000 0.935 137 Q HN 0.321 nan 8.270 nan 0.000 0.455 138 A N 1.273 124.089 122.820 -0.007 0.000 2.238 138 A HA 0.024 4.344 4.320 -0.001 0.000 0.208 138 A C 0.085 177.669 177.584 -0.000 0.000 1.177 138 A CA -0.042 51.997 52.037 0.004 0.000 0.804 138 A CB 0.066 19.090 19.000 0.041 0.000 0.823 138 A HN 0.239 nan 8.150 nan 0.000 0.482 139 K N -0.515 119.881 120.400 -0.006 0.000 3.653 139 K HA -0.164 4.155 4.320 -0.001 0.000 0.275 139 K C -0.545 176.039 176.600 -0.026 0.000 0.962 139 K CA 0.676 56.952 56.287 -0.019 0.000 0.773 139 K CB -2.475 30.013 32.500 -0.021 0.000 1.463 139 K HN 0.572 nan 8.250 nan 0.000 0.450 140 L N 0.170 121.372 121.223 -0.035 0.000 2.416 140 L HA 0.265 4.604 4.340 -0.001 0.000 0.262 140 L C 1.673 178.492 176.870 -0.085 0.000 1.093 140 L CA -0.752 54.050 54.840 -0.062 0.000 0.801 140 L CB 0.596 42.600 42.059 -0.092 0.000 1.191 140 L HN 0.045 nan 8.230 nan 0.000 0.459 141 D N 0.035 120.375 120.400 -0.099 0.000 2.201 141 D HA 0.090 4.729 4.640 -0.001 0.000 0.209 141 D C -0.026 176.172 176.300 -0.169 0.000 0.961 141 D CA 1.194 55.127 54.000 -0.110 0.000 0.861 141 D CB 0.809 41.556 40.800 -0.088 0.000 0.997 141 D HN 0.125 nan 8.370 nan 0.000 0.486 142 V N 1.069 120.857 119.914 -0.209 0.000 2.808 142 V HA 0.353 4.472 4.120 -0.001 0.000 0.308 142 V C -0.425 175.462 176.094 -0.345 0.000 1.099 142 V CA -0.841 61.268 62.300 -0.319 0.000 0.920 142 V CB 3.028 34.650 31.823 -0.336 0.000 1.014 142 V HN -0.268 nan 8.190 nan 0.000 0.425 143 V N 5.353 125.022 119.914 -0.409 0.000 2.540 143 V HA 0.573 4.692 4.120 -0.001 0.000 0.302 143 V C -0.539 175.364 176.094 -0.318 0.000 1.035 143 V CA -0.416 61.595 62.300 -0.481 0.000 0.873 143 V CB 2.004 33.483 31.823 -0.572 0.000 0.992 143 V HN 0.721 nan 8.190 nan 0.000 0.428 144 I N 5.905 126.342 120.570 -0.221 0.000 2.362 144 I HA 0.450 4.620 4.170 -0.001 0.000 0.289 144 I C -0.722 175.443 176.117 0.080 0.000 0.994 144 I CA -0.333 60.967 61.300 0.001 0.000 1.158 144 I CB 1.502 39.543 38.000 0.068 0.000 1.315 144 I HN 0.311 nan 8.210 nan 0.000 0.451 145 L N 6.418 127.737 121.223 0.159 0.000 2.294 145 L HA 0.409 4.749 4.340 -0.001 0.000 0.283 145 L C 0.206 177.222 176.870 0.245 0.000 1.015 145 L CA -0.451 54.549 54.840 0.268 0.000 0.831 145 L CB 1.350 43.563 42.059 0.258 0.000 1.217 145 L HN 0.614 nan 8.230 nan 0.000 0.420 146 E N 3.089 123.426 120.200 0.228 0.000 2.257 146 E HA 0.207 4.556 4.350 -0.001 0.000 0.278 146 E C -0.683 176.031 176.600 0.189 0.000 1.049 146 E CA -0.650 55.842 56.400 0.153 0.000 0.876 146 E CB 1.235 30.979 29.700 0.073 0.000 1.035 146 E HN 0.313 nan 8.360 nan 0.000 0.419 147 V N 5.130 125.147 119.914 0.170 0.000 2.585 147 V HA 0.009 4.129 4.120 -0.001 0.000 0.296 147 V C 1.476 177.625 176.094 0.092 0.000 1.035 147 V CA 0.925 63.331 62.300 0.178 0.000 1.084 147 V CB 1.212 33.112 31.823 0.128 0.000 0.953 147 V HN 0.989 nan 8.190 nan 0.000 0.483 148 G N 4.372 113.209 108.800 0.062 0.000 2.404 148 G HA2 0.034 3.993 3.960 -0.001 0.000 0.214 148 G HA3 0.034 3.993 3.960 -0.001 0.000 0.214 148 G C 0.120 174.859 174.900 -0.269 0.000 1.189 148 G CA 0.614 45.505 45.100 -0.348 0.000 0.789 148 G HN 0.515 nan 8.290 nan 0.000 0.533 149 L N -1.123 119.999 121.223 -0.169 0.000 2.543 149 L HA 0.597 4.936 4.340 -0.001 0.000 0.265 149 L C 0.571 177.432 176.870 -0.015 0.000 0.945 149 L CA 0.858 55.646 54.840 -0.087 0.000 0.869 149 L CB 1.433 43.417 42.059 -0.124 0.000 1.294 149 L HN 0.819 nan 8.230 nan 0.000 0.405 150 G N 3.561 112.372 108.800 0.018 0.000 2.557 150 G HA2 0.048 4.008 3.960 -0.001 0.000 0.292 150 G HA3 0.048 4.008 3.960 -0.001 0.000 0.292 150 G C 0.525 175.434 174.900 0.016 0.000 1.162 150 G CA 0.443 45.556 45.100 0.022 0.000 0.964 150 G HN 1.857 nan 8.290 nan 0.000 0.541 151 G N -1.742 107.065 108.800 0.012 0.000 4.335 151 G HA2 0.330 4.290 3.960 -0.001 0.000 0.188 151 G HA3 0.330 4.290 3.960 -0.001 0.000 0.188 151 G C 1.138 176.050 174.900 0.021 0.000 1.061 151 G CA 1.180 46.290 45.100 0.016 0.000 1.014 151 G HN 1.212 nan 8.290 nan 0.000 0.340 152 R N 0.902 121.398 120.500 -0.008 0.000 2.119 152 R HA 0.088 4.428 4.340 -0.001 0.000 0.246 152 R C 1.806 178.119 176.300 0.023 0.000 1.146 152 R CA 1.953 58.052 56.100 -0.002 0.000 0.962 152 R CB -0.687 29.601 30.300 -0.019 0.000 0.863 152 R HN 0.398 nan 8.270 nan 0.000 0.442 153 L N -0.117 121.122 121.223 0.026 0.000 2.769 153 L HA 0.266 4.606 4.340 -0.001 0.000 0.240 153 L C -0.095 176.824 176.870 0.081 0.000 1.163 153 L CA -0.480 54.385 54.840 0.041 0.000 0.962 153 L CB 0.081 42.151 42.059 0.019 0.000 1.258 153 L HN 0.169 nan 8.230 nan 0.000 0.513 154 D N 0.167 120.629 120.400 0.103 0.000 2.382 154 D HA 0.205 4.844 4.640 -0.001 0.000 0.245 154 D C 1.298 177.742 176.300 0.239 0.000 1.120 154 D CA 0.479 54.593 54.000 0.190 0.000 0.890 154 D CB 1.701 42.617 40.800 0.193 0.000 1.201 154 D HN 0.136 nan 8.370 nan 0.000 0.433 155 A N 2.397 125.432 122.820 0.358 0.000 1.948 155 A HA -0.225 4.094 4.320 -0.001 0.000 0.220 155 A C 2.108 179.801 177.584 0.180 0.000 1.177 155 A CA 2.333 54.511 52.037 0.236 0.000 0.636 155 A CB -1.258 17.842 19.000 0.167 0.000 0.815 155 A HN 0.766 nan 8.150 nan 0.000 0.449 156 T N -2.375 112.345 114.554 0.278 0.000 2.977 156 T HA -0.124 4.225 4.350 -0.001 0.000 0.271 156 T C 1.370 176.165 174.700 0.159 0.000 1.105 156 T CA 1.496 63.731 62.100 0.224 0.000 1.116 156 T CB -0.514 68.545 68.868 0.320 0.000 0.878 156 T HN 0.389 nan 8.240 nan 0.000 0.509 157 N N 1.339 120.127 118.700 0.146 0.000 2.449 157 N HA 0.119 4.859 4.740 -0.001 0.000 0.191 157 N C 1.529 177.088 175.510 0.082 0.000 1.161 157 N CA 0.172 53.288 53.050 0.110 0.000 0.863 157 N CB -0.591 37.953 38.487 0.095 0.000 0.980 157 N HN 0.822 nan 8.380 nan 0.000 0.458 158 I N -3.156 117.457 120.570 0.073 0.000 2.928 158 I HA 0.080 4.250 4.170 -0.001 0.000 0.266 158 I C -0.126 176.016 176.117 0.042 0.000 1.234 158 I CA 0.284 61.612 61.300 0.047 0.000 1.483 158 I CB -0.100 37.918 38.000 0.030 0.000 1.097 158 I HN -0.247 nan 8.210 nan 0.000 0.455 159 V N 3.187 123.133 119.914 0.053 0.000 2.509 159 V HA 0.226 4.346 4.120 -0.001 0.000 0.284 159 V C -0.527 175.602 176.094 0.059 0.000 1.047 159 V CA -0.424 61.904 62.300 0.046 0.000 0.952 159 V CB 1.253 33.104 31.823 0.047 0.000 0.988 159 V HN 0.163 nan 8.190 nan 0.000 0.469 160 D N 3.090 123.519 120.400 0.048 0.000 2.316 160 D HA 0.260 4.899 4.640 -0.001 0.000 0.245 160 D C 0.379 176.719 176.300 0.066 0.000 1.171 160 D CA 0.158 54.194 54.000 0.060 0.000 0.856 160 D CB 1.362 42.190 40.800 0.047 0.000 1.090 160 D HN 0.672 nan 8.370 nan 0.000 0.476 161 S N 1.384 117.143 115.700 0.098 0.000 2.601 161 S HA 0.191 4.661 4.470 -0.001 0.000 0.271 161 S C 0.750 175.427 174.600 0.129 0.000 1.305 161 S CA -0.680 57.592 58.200 0.121 0.000 1.022 161 S CB 1.902 65.207 63.200 0.175 0.000 0.940 161 S HN 0.272 nan 8.310 nan 0.000 0.525 162 D N 0.239 120.732 120.400 0.155 0.000 2.213 162 D HA 0.096 4.735 4.640 -0.001 0.000 0.205 162 D C 0.068 176.507 176.300 0.231 0.000 0.961 162 D CA 1.063 55.168 54.000 0.175 0.000 0.853 162 D CB 0.264 41.162 40.800 0.162 0.000 0.967 162 D HN 0.334 nan 8.370 nan 0.000 0.496 163 V N 0.476 120.586 119.914 0.328 0.000 2.760 163 V HA 0.609 4.729 4.120 -0.001 0.000 0.309 163 V C -0.563 175.645 176.094 0.189 0.000 1.077 163 V CA -0.978 61.432 62.300 0.183 0.000 0.910 163 V CB 2.034 33.853 31.823 -0.007 0.000 1.008 163 V HN 0.077 nan 8.190 nan 0.000 0.424 164 A N 2.904 125.810 122.820 0.144 0.000 2.356 164 A HA 1.051 5.370 4.320 -0.001 0.000 0.323 164 A C -0.339 177.366 177.584 0.202 0.000 1.119 164 A CA -0.220 51.948 52.037 0.219 0.000 0.790 164 A CB 1.868 21.083 19.000 0.359 0.000 1.273 164 A HN 1.669 nan 8.150 nan 0.000 0.452 165 A N 0.874 123.841 122.820 0.245 0.000 2.475 165 A HA 0.756 5.076 4.320 -0.001 0.000 0.301 165 A C -1.082 176.671 177.584 0.282 0.000 1.059 165 A CA -0.379 51.803 52.037 0.242 0.000 0.710 165 A CB 0.938 20.024 19.000 0.144 0.000 1.288 165 A HN 0.728 nan 8.150 nan 0.000 0.408 166 I N 2.099 122.852 120.570 0.305 0.000 2.362 166 I HA 0.266 4.435 4.170 -0.001 0.000 0.289 166 I C 1.521 177.759 176.117 0.202 0.000 0.994 166 I CA -0.297 61.137 61.300 0.224 0.000 1.158 166 I CB 2.292 40.422 38.000 0.216 0.000 1.315 166 I HN 0.929 nan 8.210 nan 0.000 0.451 167 T N 0.831 115.477 114.554 0.153 0.000 2.978 167 T HA 0.093 4.442 4.350 -0.001 0.000 0.262 167 T C 0.618 175.403 174.700 0.142 0.000 1.063 167 T CA 0.602 62.792 62.100 0.149 0.000 1.140 167 T CB 0.071 69.002 68.868 0.105 0.000 0.886 167 T HN 0.647 nan 8.240 nan 0.000 0.470 168 S N -0.119 115.638 115.700 0.095 0.000 2.611 168 S HA 0.621 5.090 4.470 -0.001 0.000 0.270 168 S C -1.933 172.646 174.600 -0.035 0.000 1.131 168 S CA -1.227 56.998 58.200 0.042 0.000 0.826 168 S CB 1.276 64.510 63.200 0.056 0.000 1.095 168 S HN 0.171 nan 8.310 nan 0.000 0.461 169 I N 1.457 121.958 120.570 -0.115 0.000 2.447 169 I HA 0.842 5.012 4.170 -0.001 0.000 0.287 169 I C 0.077 176.039 176.117 -0.258 0.000 1.023 169 I CA -0.342 60.878 61.300 -0.133 0.000 1.083 169 I CB 0.939 38.892 38.000 -0.079 0.000 1.245 169 I HN 1.202 nan 8.210 nan 0.000 0.434 170 A N 6.506 129.185 122.820 -0.236 0.000 2.610 170 A HA 0.766 5.086 4.320 -0.001 0.000 0.291 170 A C -1.236 176.287 177.584 -0.102 0.000 1.086 170 A CA -0.651 51.248 52.037 -0.230 0.000 0.677 170 A CB 1.380 20.142 19.000 -0.397 0.000 1.278 170 A HN 0.552 nan 8.150 nan 0.000 0.414 171 L N 0.834 122.023 121.223 -0.058 0.000 2.397 171 L HA 0.385 4.724 4.340 -0.001 0.000 0.271 171 L C -0.025 176.945 176.870 0.166 0.000 1.148 171 L CA 0.142 55.002 54.840 0.033 0.000 0.825 171 L CB 0.676 42.764 42.059 0.048 0.000 1.117 171 L HN 0.831 nan 8.230 nan 0.000 0.456 172 D N 1.457 122.057 120.400 0.334 0.000 2.940 172 D HA 0.201 4.841 4.640 -0.001 0.000 0.366 172 D C -0.721 175.691 176.300 0.186 0.000 1.446 172 D CA -0.046 54.108 54.000 0.255 0.000 0.780 172 D CB 0.237 41.197 40.800 0.267 0.000 1.206 172 D HN 0.487 nan 8.370 nan 0.000 0.454 173 H N -1.050 117.991 119.070 -0.048 0.000 2.961 173 H HA 0.145 4.700 4.556 -0.001 0.000 0.278 173 H C -0.443 174.692 175.328 -0.321 0.000 1.338 173 H CA -0.053 55.736 56.048 -0.430 0.000 1.373 173 H CB 1.215 30.259 29.762 -1.197 0.000 1.915 173 H HN 0.112 nan 8.280 nan 0.000 0.500 174 T N 0.489 114.684 114.554 -0.597 0.000 2.652 174 T HA 0.047 4.396 4.350 -0.001 0.000 0.319 174 T C 0.249 174.879 174.700 -0.116 0.000 1.029 174 T CA -0.685 61.244 62.100 -0.284 0.000 0.990 174 T CB 0.366 69.040 68.868 -0.323 0.000 1.098 174 T HN 0.368 nan 8.240 nan 0.000 0.520 175 D N 0.039 120.438 120.400 -0.001 0.000 2.443 175 D HA 0.177 4.817 4.640 -0.001 0.000 0.234 175 D C -0.625 175.792 176.300 0.194 0.000 1.172 175 D CA 0.691 54.768 54.000 0.127 0.000 0.878 175 D CB 0.138 41.007 40.800 0.114 0.000 1.204 175 D HN 0.467 nan 8.370 nan 0.000 0.453 176 W N 0.571 121.923 121.300 0.087 0.000 3.419 176 W HA 0.196 4.855 4.660 -0.001 0.000 0.298 176 W C -1.006 175.547 176.519 0.058 0.000 1.260 176 W CA -1.001 56.336 57.345 -0.014 0.000 1.199 176 W CB 0.499 29.792 29.460 -0.279 0.000 1.349 176 W HN 0.125 nan 8.180 nan 0.000 0.557 177 L N 3.130 124.461 121.223 0.179 0.000 2.559 177 L HA 0.384 4.723 4.340 -0.001 0.000 0.274 177 L C 1.315 178.257 176.870 0.120 0.000 1.205 177 L CA 2.327 57.227 54.840 0.099 0.000 0.907 177 L CB -0.035 42.026 42.059 0.004 0.000 1.153 177 L HN 0.875 nan 8.230 nan 0.000 0.490 178 G N 3.484 112.358 108.800 0.123 0.000 2.203 178 G HA2 -0.363 3.596 3.960 -0.001 0.000 0.263 178 G HA3 -0.363 3.596 3.960 -0.001 0.000 0.263 178 G C -0.047 174.956 174.900 0.171 0.000 1.012 178 G CA 0.566 45.730 45.100 0.107 0.000 0.749 178 G HN 0.880 nan 8.290 nan 0.000 0.512 179 Y N 2.249 122.608 120.300 0.097 0.000 2.676 179 Y HA 0.501 5.051 4.550 -0.001 0.000 0.338 179 Y C 0.220 176.182 175.900 0.102 0.000 1.057 179 Y CA -1.079 57.102 58.100 0.136 0.000 1.314 179 Y CB 0.262 38.893 38.460 0.284 0.000 1.164 179 Y HN 0.426 nan 8.280 nan 0.000 0.509 180 D N 2.047 122.346 120.400 -0.168 0.000 2.592 180 D HA 0.340 4.979 4.640 -0.001 0.000 0.263 180 D C 0.626 176.794 176.300 -0.219 0.000 1.132 180 D CA -0.898 52.992 54.000 -0.184 0.000 0.996 180 D CB 0.891 41.655 40.800 -0.060 0.000 1.442 180 D HN 0.304 nan 8.370 nan 0.000 0.486 181 R N -0.392 120.012 120.500 -0.161 0.000 2.105 181 R HA -0.116 4.223 4.340 -0.001 0.000 0.239 181 R C 1.455 177.701 176.300 -0.090 0.000 1.135 181 R CA 1.286 57.308 56.100 -0.130 0.000 0.967 181 R CB -0.218 30.029 30.300 -0.089 0.000 0.861 181 R HN 0.516 nan 8.270 nan 0.000 0.442 182 E N 0.384 120.545 120.200 -0.066 0.000 2.051 182 E HA -0.160 4.190 4.350 -0.001 0.000 0.192 182 E C 2.034 178.609 176.600 -0.042 0.000 0.991 182 E CA 1.154 57.528 56.400 -0.043 0.000 0.799 182 E CB -0.391 29.292 29.700 -0.028 0.000 0.748 182 E HN 0.142 nan 8.360 nan 0.000 0.449 183 S N 0.368 116.042 115.700 -0.043 0.000 2.368 183 S HA -0.099 4.370 4.470 -0.001 0.000 0.225 183 S C 2.122 176.708 174.600 -0.023 0.000 1.030 183 S CA 0.757 58.944 58.200 -0.021 0.000 0.999 183 S CB -0.188 63.018 63.200 0.011 0.000 0.844 183 S HN 0.150 nan 8.310 nan 0.000 0.459 184 I N 1.015 121.551 120.570 -0.057 0.000 2.179 184 I HA -0.102 4.068 4.170 -0.001 0.000 0.242 184 I C 2.647 178.741 176.117 -0.039 0.000 1.088 184 I CA 1.214 62.490 61.300 -0.039 0.000 1.357 184 I CB -0.746 37.184 38.000 -0.117 0.000 1.051 184 I HN 0.417 nan 8.210 nan 0.000 0.409 185 G N 0.482 109.250 108.800 -0.054 0.000 2.402 185 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.216 185 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.216 185 G C 1.742 176.594 174.900 -0.080 0.000 1.162 185 G CA 0.730 45.797 45.100 -0.056 0.000 0.777 185 G HN 0.283 nan 8.290 nan 0.000 0.539 186 R N 0.532 120.994 120.500 -0.063 0.000 2.083 186 R HA -0.091 4.249 4.340 -0.001 0.000 0.237 186 R C 2.377 178.622 176.300 -0.092 0.000 1.137 186 R CA 1.963 58.021 56.100 -0.070 0.000 0.951 186 R CB -0.420 29.855 30.300 -0.042 0.000 0.851 186 R HN 0.494 nan 8.270 nan 0.000 0.434 187 E N 0.388 120.549 120.200 -0.065 0.000 2.051 187 E HA -0.214 4.135 4.350 -0.001 0.000 0.192 187 E C 1.722 178.269 176.600 -0.088 0.000 0.991 187 E CA 1.503 57.869 56.400 -0.058 0.000 0.799 187 E CB 0.118 29.804 29.700 -0.023 0.000 0.748 187 E HN 0.344 nan 8.360 nan 0.000 0.449 188 K N -0.057 120.283 120.400 -0.099 0.000 2.097 188 K HA -0.102 4.217 4.320 -0.001 0.000 0.206 188 K C 2.051 178.471 176.600 -0.300 0.000 1.049 188 K CA 0.977 57.187 56.287 -0.128 0.000 0.933 188 K CB -0.099 32.351 32.500 -0.084 0.000 0.717 188 K HN 0.121 nan 8.250 nan 0.000 0.442 189 A N 1.168 123.719 122.820 -0.449 0.000 2.172 189 A HA -0.025 4.294 4.320 -0.001 0.000 0.216 189 A C 2.190 179.385 177.584 -0.648 0.000 1.154 189 A CA 1.317 52.766 52.037 -0.980 0.000 0.701 189 A CB -0.742 17.859 19.000 -0.666 0.000 0.789 189 A HN 0.411 nan 8.150 nan 0.000 0.465 190 G N -0.138 108.489 108.800 -0.288 0.000 2.535 190 G HA2 -0.039 3.920 3.960 -0.001 0.000 0.218 190 G HA3 -0.039 3.920 3.960 -0.001 0.000 0.218 190 G C 1.329 176.195 174.900 -0.057 0.000 1.122 190 G CA 1.242 46.269 45.100 -0.122 0.000 0.769 190 G HN 0.983 nan 8.290 nan 0.000 0.549 191 V N -2.984 116.879 119.914 -0.085 0.000 3.461 191 V HA 0.323 4.443 4.120 -0.001 0.000 0.267 191 V C 0.993 177.220 176.094 0.223 0.000 1.186 191 V CA -0.606 61.733 62.300 0.066 0.000 1.154 191 V CB -0.965 30.917 31.823 0.099 0.000 0.802 191 V HN -0.013 nan 8.190 nan 0.000 0.474 192 F N 2.053 122.035 119.950 0.053 0.000 2.485 192 F HA 0.637 5.164 4.527 -0.001 0.000 0.327 192 F C 1.056 176.881 175.800 0.042 0.000 1.203 192 F CA -0.712 57.316 58.000 0.046 0.000 1.295 192 F CB 0.081 39.099 39.000 0.029 0.000 1.191 192 F HN 0.112 nan 8.300 nan 0.000 0.588 193 R N -0.200 120.433 120.500 0.222 0.000 2.673 193 R HA 0.397 4.737 4.340 -0.001 0.000 0.281 193 R C -0.282 176.064 176.300 0.076 0.000 0.991 193 R CA -0.945 55.231 56.100 0.126 0.000 0.896 193 R CB 1.535 31.898 30.300 0.105 0.000 1.201 193 R HN 0.750 nan 8.270 nan 0.000 0.457 194 G N -0.289 108.548 108.800 0.062 0.000 2.353 194 G HA2 0.303 4.263 3.960 -0.001 0.000 0.239 194 G HA3 0.303 4.263 3.960 -0.001 0.000 0.239 194 G C 0.967 175.883 174.900 0.026 0.000 1.295 194 G CA 0.758 45.880 45.100 0.036 0.000 0.884 194 G HN 0.801 nan 8.290 nan 0.000 0.537 195 G N 1.022 109.828 108.800 0.010 0.000 2.168 195 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.263 195 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.263 195 G C 0.499 175.412 174.900 0.023 0.000 0.977 195 G CA 0.888 45.996 45.100 0.014 0.000 0.659 195 G HN 0.760 nan 8.290 nan 0.000 0.533 196 K N 0.178 120.586 120.400 0.015 0.000 2.267 196 K HA 0.562 4.881 4.320 -0.001 0.000 0.246 196 K C -2.780 173.813 176.600 -0.013 0.000 0.954 196 K CA -2.434 53.872 56.287 0.031 0.000 0.824 196 K CB 1.670 34.204 32.500 0.056 0.000 1.167 196 K HN -0.076 nan 8.250 nan 0.000 0.431 197 P HA 0.063 nan 4.420 nan 0.000 0.267 197 P C -1.110 176.115 177.300 -0.126 0.000 1.205 197 P CA -0.013 63.107 63.100 0.033 0.000 0.765 197 P CB 0.500 32.285 31.700 0.142 0.000 0.828 198 A N 3.890 126.510 122.820 -0.333 0.000 2.399 198 A HA 0.427 4.747 4.320 -0.001 0.000 0.327 198 A C -0.501 176.890 177.584 -0.322 0.000 1.367 198 A CA -0.570 51.056 52.037 -0.684 0.000 0.842 198 A CB 0.287 18.341 19.000 -1.576 0.000 1.142 198 A HN 0.330 nan 8.150 nan 0.000 0.495 199 V N 3.245 123.139 119.914 -0.034 0.000 2.406 199 V HA 0.302 4.422 4.120 -0.001 0.000 0.272 199 V C -0.110 176.172 176.094 0.313 0.000 1.043 199 V CA -0.228 62.201 62.300 0.214 0.000 0.915 199 V CB 1.353 33.290 31.823 0.190 0.000 0.988 199 V HN 0.552 nan 8.190 nan 0.000 0.466 200 V N 4.497 124.657 119.914 0.410 0.000 2.350 200 V HA 0.464 4.584 4.120 -0.001 0.000 0.285 200 V C 1.057 177.411 176.094 0.434 0.000 1.014 200 V CA 0.022 62.533 62.300 0.353 0.000 0.831 200 V CB 1.371 33.333 31.823 0.231 0.000 1.000 200 V HN 0.936 nan 8.190 nan 0.000 0.433 201 G N 3.108 112.178 108.800 0.451 0.000 3.189 201 G HA2 0.066 4.026 3.960 -0.001 0.000 0.225 201 G HA3 0.066 4.026 3.960 -0.001 0.000 0.225 201 G C 0.401 175.454 174.900 0.255 0.000 1.159 201 G CA -0.055 45.335 45.100 0.484 0.000 0.763 201 G HN 0.630 nan 8.290 nan 0.000 0.549 202 E N 1.893 122.193 120.200 0.168 0.000 2.180 202 E HA 0.250 4.599 4.350 -0.001 0.000 0.283 202 E C -1.131 175.496 176.600 0.045 0.000 1.061 202 E CA -2.549 53.914 56.400 0.104 0.000 0.861 202 E CB 1.633 31.377 29.700 0.072 0.000 1.056 202 E HN 0.055 nan 8.360 nan 0.000 0.407 203 P HA -0.029 nan 4.420 nan 0.000 0.222 203 P C -0.182 177.108 177.300 -0.016 0.000 1.153 203 P CA 0.609 63.699 63.100 -0.018 0.000 0.798 203 P CB 0.349 32.044 31.700 -0.009 0.000 0.796 204 D N 0.143 120.547 120.400 0.007 0.000 2.622 204 D HA 0.154 4.794 4.640 -0.001 0.000 0.262 204 D C -0.313 175.985 176.300 -0.004 0.000 1.189 204 D CA -0.537 53.461 54.000 -0.002 0.000 0.985 204 D CB -0.742 40.062 40.800 0.006 0.000 0.994 204 D HN -0.055 nan 8.370 nan 0.000 0.513 205 M N 3.272 122.869 119.600 -0.004 0.000 2.188 205 M HA 0.309 4.789 4.480 -0.001 0.000 0.354 205 M C -2.203 174.097 176.300 0.000 0.000 1.342 205 M CA -1.285 54.019 55.300 0.007 0.000 1.117 205 M CB 0.953 33.563 32.600 0.018 0.000 1.670 205 M HN 0.087 nan 8.290 nan 0.000 0.466 206 P HA 0.014 nan 4.420 nan 0.000 0.271 206 P C -0.483 176.818 177.300 0.001 0.000 1.218 206 P CA 0.037 63.132 63.100 -0.010 0.000 0.780 206 P CB 0.710 32.396 31.700 -0.022 0.000 0.901 207 Q N 3.096 122.894 119.800 -0.002 0.000 2.135 207 Q HA -0.197 4.142 4.340 -0.001 0.000 0.204 207 Q C 1.983 177.988 176.000 0.008 0.000 0.981 207 Q CA 2.532 58.337 55.803 0.003 0.000 0.856 207 Q CB -1.065 27.672 28.738 -0.002 0.000 0.902 207 Q HN 0.563 nan 8.270 nan 0.000 0.425 208 S N -0.498 115.203 115.700 0.001 0.000 2.407 208 S HA -0.219 4.250 4.470 -0.001 0.000 0.235 208 S C 1.925 176.532 174.600 0.010 0.000 1.036 208 S CA 1.483 59.682 58.200 -0.001 0.000 1.013 208 S CB -0.740 62.451 63.200 -0.016 0.000 0.820 208 S HN 0.504 nan 8.310 nan 0.000 0.476 209 I N 2.180 122.766 120.570 0.026 0.000 2.202 209 I HA -0.124 4.045 4.170 -0.001 0.000 0.242 209 I C 3.100 179.303 176.117 0.143 0.000 1.091 209 I CA 1.112 62.458 61.300 0.076 0.000 1.368 209 I CB -0.730 37.336 38.000 0.109 0.000 1.058 209 I HN 0.434 nan 8.210 nan 0.000 0.410 210 A N 0.560 123.433 122.820 0.088 0.000 1.902 210 A HA -0.242 4.078 4.320 -0.001 0.000 0.217 210 A C 1.943 179.559 177.584 0.054 0.000 1.181 210 A CA 2.062 54.136 52.037 0.062 0.000 0.623 210 A CB -0.589 18.426 19.000 0.024 0.000 0.818 210 A HN 0.348 nan 8.150 nan 0.000 0.443 211 D N -0.251 120.173 120.400 0.040 0.000 2.097 211 D HA -0.111 4.529 4.640 -0.001 0.000 0.195 211 D C 2.088 178.413 176.300 0.042 0.000 0.989 211 D CA 1.540 55.557 54.000 0.029 0.000 0.827 211 D CB -0.515 40.294 40.800 0.015 0.000 0.966 211 D HN 0.218 nan 8.370 nan 0.000 0.456 212 V N 1.456 121.403 119.914 0.054 0.000 2.358 212 V HA -0.216 3.904 4.120 -0.001 0.000 0.246 212 V C 2.542 178.719 176.094 0.137 0.000 1.047 212 V CA 1.685 64.022 62.300 0.063 0.000 1.035 212 V CB -0.798 31.028 31.823 0.005 0.000 0.658 212 V HN 0.176 nan 8.190 nan 0.000 0.452 213 A N 0.074 123.024 122.820 0.217 0.000 1.908 213 A HA -0.192 4.128 4.320 -0.001 0.000 0.218 213 A C 2.409 180.034 177.584 0.068 0.000 1.181 213 A CA 2.353 54.508 52.037 0.196 0.000 0.627 213 A CB -0.764 18.303 19.000 0.110 0.000 0.818 213 A HN 0.584 nan 8.150 nan 0.000 0.445 214 A N -0.452 122.394 122.820 0.043 0.000 1.898 214 A HA -0.117 4.203 4.320 -0.001 0.000 0.216 214 A C 1.893 179.491 177.584 0.023 0.000 1.181 214 A CA 1.575 53.621 52.037 0.015 0.000 0.620 214 A CB -0.519 18.486 19.000 0.008 0.000 0.819 214 A HN 0.613 nan 8.150 nan 0.000 0.442 215 E N -0.184 120.036 120.200 0.034 0.000 2.085 215 E HA -0.158 4.192 4.350 -0.001 0.000 0.194 215 E C 1.735 178.356 176.600 0.035 0.000 0.994 215 E CA 1.372 57.789 56.400 0.029 0.000 0.801 215 E CB -0.239 29.478 29.700 0.028 0.000 0.743 215 E HN 0.625 nan 8.360 nan 0.000 0.453 216 L N -1.060 120.195 121.223 0.053 0.000 2.446 216 L HA 0.155 4.495 4.340 -0.001 0.000 0.219 216 L C 1.356 178.251 176.870 0.041 0.000 1.116 216 L CA 0.345 55.220 54.840 0.059 0.000 0.844 216 L CB 0.048 42.167 42.059 0.100 0.000 0.970 216 L HN 0.313 nan 8.230 nan 0.000 0.457 217 G N 0.697 109.512 108.800 0.025 0.000 2.160 217 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.244 217 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.244 217 G C 0.309 175.199 174.900 -0.017 0.000 1.022 217 G CA 0.109 45.211 45.100 0.002 0.000 0.741 217 G HN 0.494 nan 8.290 nan 0.000 0.508 218 A N -0.902 121.904 122.820 -0.023 0.000 2.304 218 A HA 0.740 5.059 4.320 -0.001 0.000 0.271 218 A C 0.403 177.872 177.584 -0.192 0.000 1.091 218 A CA 0.001 51.981 52.037 -0.095 0.000 0.812 218 A CB 0.495 19.422 19.000 -0.122 0.000 1.056 218 A HN 0.416 nan 8.150 nan 0.000 0.489 219 Q N 0.333 119.968 119.800 -0.275 0.000 2.390 219 Q HA 0.463 4.803 4.340 -0.001 0.000 0.249 219 Q C -0.903 174.635 176.000 -0.770 0.000 0.996 219 Q CA -0.037 55.489 55.803 -0.463 0.000 0.899 219 Q CB 1.118 29.616 28.738 -0.399 0.000 1.216 219 Q HN 0.563 nan 8.270 nan 0.000 0.465 220 L N 3.804 124.630 121.223 -0.662 0.000 2.290 220 L HA 0.323 4.662 4.340 -0.001 0.000 0.284 220 L C -1.475 175.000 176.870 -0.658 0.000 1.078 220 L CA 0.009 54.522 54.840 -0.546 0.000 0.815 220 L CB 0.181 42.075 42.059 -0.275 0.000 1.162 220 L HN 0.498 nan 8.230 nan 0.000 0.435 221 Y N 4.999 125.209 120.300 -0.150 0.000 2.555 221 Y HA 0.509 5.059 4.550 -0.001 0.000 0.326 221 Y C -0.028 175.995 175.900 0.205 0.000 0.984 221 Y CA -0.714 57.370 58.100 -0.026 0.000 1.298 221 Y CB 0.749 39.005 38.460 -0.341 0.000 1.094 221 Y HN 0.461 nan 8.280 nan 0.000 0.500 222 R N 1.762 122.344 120.500 0.136 0.000 2.349 222 R HA 0.428 4.768 4.340 -0.001 0.000 0.299 222 R C 0.165 176.113 176.300 -0.585 0.000 1.027 222 R CA -1.076 54.979 56.100 -0.076 0.000 0.958 222 R CB 1.439 31.686 30.300 -0.088 0.000 1.047 222 R HN 0.603 nan 8.270 nan 0.000 0.468 223 R N 2.163 122.113 120.500 -0.915 0.000 2.583 223 R HA -0.162 4.177 4.340 -0.001 0.000 0.274 223 R C -0.453 175.483 176.300 -0.606 0.000 0.998 223 R CA 0.752 56.066 56.100 -1.310 0.000 1.081 223 R CB 0.232 30.006 30.300 -0.877 0.000 0.940 223 R HN 0.722 nan 8.270 nan 0.000 0.413 224 D N 1.183 121.275 120.400 -0.512 0.000 2.978 224 D HA -0.178 4.461 4.640 -0.001 0.000 0.205 224 D C 0.497 176.673 176.300 -0.207 0.000 1.093 224 D CA 1.303 55.133 54.000 -0.283 0.000 1.006 224 D CB -0.942 39.731 40.800 -0.212 0.000 1.116 224 D HN 0.353 nan 8.370 nan 0.000 0.419 225 V N -0.444 119.336 119.914 -0.223 0.000 3.097 225 V HA 0.308 4.428 4.120 -0.001 0.000 0.223 225 V C 2.238 178.296 176.094 -0.061 0.000 1.199 225 V CA 1.160 63.391 62.300 -0.115 0.000 1.260 225 V CB -0.189 31.584 31.823 -0.083 0.000 1.155 225 V HN 0.247 nan 8.190 nan 0.000 0.509 226 A N -0.223 122.582 122.820 -0.024 0.000 2.044 226 A HA 0.209 4.528 4.320 -0.001 0.000 0.213 226 A C 0.746 178.453 177.584 0.203 0.000 1.169 226 A CA 0.445 52.590 52.037 0.180 0.000 0.724 226 A CB 0.084 19.364 19.000 0.468 0.000 0.840 226 A HN 0.730 nan 8.150 nan 0.000 0.463 227 W N -0.643 120.652 121.300 -0.010 0.000 3.137 227 W HA 0.650 5.310 4.660 -0.001 0.000 0.324 227 W C -1.247 175.185 176.519 -0.145 0.000 1.253 227 W CA -0.709 56.515 57.345 -0.201 0.000 1.183 227 W CB 0.361 29.692 29.460 -0.215 0.000 1.424 227 W HN 0.160 nan 8.180 nan 0.000 0.566 228 K N 0.763 121.162 120.400 -0.002 0.000 2.617 228 K HA 0.808 5.128 4.320 -0.001 0.000 0.293 228 K C -1.795 174.930 176.600 0.209 0.000 1.034 228 K CA -0.751 55.551 56.287 0.025 0.000 0.884 228 K CB 2.617 35.038 32.500 -0.133 0.000 1.541 228 K HN 0.612 nan 8.250 nan 0.000 0.409 229 F N -1.564 118.488 119.950 0.171 0.000 2.711 229 F HA 0.797 5.323 4.527 -0.001 0.000 0.313 229 F C -1.323 174.643 175.800 0.278 0.000 1.141 229 F CA -0.481 57.721 58.000 0.338 0.000 0.941 229 F CB 1.791 41.198 39.000 0.678 0.000 1.349 229 F HN 0.904 nan 8.300 nan 0.000 0.464 230 S N 0.459 116.442 115.700 0.472 0.000 2.615 230 S HA 0.746 5.215 4.470 -0.001 0.000 0.269 230 S C -1.387 173.462 174.600 0.415 0.000 1.161 230 S CA -0.493 57.879 58.200 0.285 0.000 0.817 230 S CB 2.034 65.332 63.200 0.163 0.000 1.131 230 S HN 1.347 nan 8.310 nan 0.000 0.467 247 G N -0.445 108.380 108.800 0.042 0.000 2.593 247 G HA2 -0.023 3.937 3.960 -0.001 0.000 0.237 247 G HA3 -0.023 3.937 3.960 -0.001 0.000 0.237 247 G C -1.085 173.857 174.900 0.070 0.000 1.312 247 G CA 0.021 45.162 45.100 0.067 0.000 0.896 247 G HN 1.165 nan 8.290 nan 0.000 0.574 248 W N -0.205 120.951 121.300 -0.240 0.000 3.047 248 W HA 0.813 5.472 4.660 -0.001 0.000 0.341 248 W C -0.986 175.352 176.519 -0.303 0.000 1.225 248 W CA -0.877 56.293 57.345 -0.292 0.000 1.150 248 W CB 0.580 30.023 29.460 -0.029 0.000 1.470 248 W HN 0.826 nan 8.180 nan 0.000 0.578 249 H N 0.142 119.356 119.070 0.241 0.000 2.690 249 H HA 0.382 4.938 4.556 -0.001 0.000 0.368 249 H C -1.728 173.742 175.328 0.237 0.000 1.150 249 H CA -0.618 55.463 56.048 0.055 0.000 1.174 249 H CB 2.785 32.607 29.762 0.099 0.000 1.684 249 H HN 0.658 nan 8.280 nan 0.000 0.538 250 W N 2.311 123.616 121.300 0.009 0.000 3.022 250 W HA 0.394 5.054 4.660 -0.001 0.000 0.335 250 W C -1.439 175.109 176.519 0.048 0.000 1.133 250 W CA -0.495 56.905 57.345 0.092 0.000 1.219 250 W CB 1.868 31.267 29.460 -0.101 0.000 1.409 250 W HN 0.491 nan 8.180 nan 0.000 0.507 251 Q N 5.054 124.536 119.800 -0.530 0.000 2.315 251 Q HA 0.523 4.863 4.340 -0.001 0.000 0.273 251 Q C -1.886 173.568 176.000 -0.910 0.000 1.053 251 Q CA -0.614 54.874 55.803 -0.524 0.000 0.817 251 Q CB 2.150 30.755 28.738 -0.222 0.000 1.326 251 Q HN 0.627 nan 8.270 nan 0.000 0.423 252 C N 4.266 123.117 119.300 -0.749 0.000 2.455 252 C HA 0.785 5.245 4.460 -0.001 0.000 0.321 252 C C 1.060 175.913 174.990 -0.228 0.000 1.102 252 C CA 0.873 59.588 59.018 -0.505 0.000 1.413 252 C CB -0.623 26.667 27.740 -0.751 0.000 1.952 252 C HN 1.138 nan 8.230 nan 0.000 0.428 253 G N 5.363 114.095 108.800 -0.113 0.000 2.602 253 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.310 253 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.310 253 G C 0.690 175.551 174.900 -0.065 0.000 1.183 253 G CA 0.912 45.981 45.100 -0.050 0.000 0.979 253 G HN 0.772 nan 8.290 nan 0.000 0.545 254 E N 0.766 120.943 120.200 -0.039 0.000 2.479 254 E HA 0.129 4.479 4.350 -0.001 0.000 0.193 254 E C 1.246 177.826 176.600 -0.034 0.000 1.049 254 E CA -0.189 56.191 56.400 -0.033 0.000 0.870 254 E CB 0.311 30.003 29.700 -0.012 0.000 0.944 254 E HN 0.261 nan 8.360 nan 0.000 0.492 255 R N 2.147 122.618 120.500 -0.049 0.000 2.267 255 R HA 0.090 4.430 4.340 -0.001 0.000 0.319 255 R C -0.872 175.413 176.300 -0.026 0.000 1.067 255 R CA 0.369 56.454 56.100 -0.024 0.000 0.936 255 R CB 0.184 30.473 30.300 -0.018 0.000 1.006 255 R HN -0.069 nan 8.270 nan 0.000 0.452 256 Q N 4.067 123.877 119.800 0.015 0.000 2.337 256 Q HA 0.424 4.764 4.340 -0.001 0.000 0.270 256 Q C -0.952 175.091 176.000 0.071 0.000 1.043 256 Q CA -0.656 55.169 55.803 0.037 0.000 0.794 256 Q CB 2.468 31.198 28.738 -0.014 0.000 1.281 256 Q HN 0.463 nan 8.270 nan 0.000 0.446 257 L N 2.784 124.085 121.223 0.129 0.000 2.276 257 L HA 0.494 4.834 4.340 -0.001 0.000 0.286 257 L C -0.107 176.761 176.870 -0.004 0.000 1.024 257 L CA -0.510 54.341 54.840 0.019 0.000 0.826 257 L CB 1.326 43.348 42.059 -0.061 0.000 1.211 257 L HN 0.664 nan 8.230 nan 0.000 0.422 258 T N -1.182 113.379 114.554 0.011 0.000 2.888 258 T HA 0.590 4.940 4.350 -0.001 0.000 0.284 258 T C 0.792 175.541 174.700 0.082 0.000 1.017 258 T CA -0.078 62.110 62.100 0.146 0.000 1.022 258 T CB 1.849 70.763 68.868 0.077 0.000 1.013 258 T HN 0.854 nan 8.240 nan 0.000 0.465 259 G N 2.035 110.923 108.800 0.147 0.000 2.295 259 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.287 259 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.287 259 G C -0.053 174.779 174.900 -0.113 0.000 1.055 259 G CA 0.112 45.208 45.100 -0.007 0.000 0.922 259 G HN 0.931 nan 8.290 nan 0.000 0.503 260 L N 0.397 121.435 121.223 -0.308 0.000 2.439 260 L HA 0.314 4.654 4.340 -0.001 0.000 0.269 260 L C -1.393 175.434 176.870 -0.073 0.000 1.179 260 L CA -1.968 52.657 54.840 -0.358 0.000 0.828 260 L CB 0.469 41.966 42.059 -0.937 0.000 1.106 260 L HN -0.015 nan 8.230 nan 0.000 0.467 261 P HA -0.001 nan 4.420 nan 0.000 0.265 261 P C -0.656 176.864 177.300 0.366 0.000 1.193 261 P CA -0.201 62.994 63.100 0.159 0.000 0.765 261 P CB 0.412 32.169 31.700 0.096 0.000 0.823 262 V N 6.234 126.314 119.914 0.277 0.000 2.439 262 V HA 0.154 4.274 4.120 -0.001 0.000 0.271 262 V C -1.319 174.808 176.094 0.054 0.000 1.040 262 V CA -1.029 61.359 62.300 0.147 0.000 1.002 262 V CB 0.073 31.927 31.823 0.051 0.000 1.000 262 V HN 0.623 nan 8.190 nan 0.000 0.477 263 P HA 0.187 nan 4.420 nan 0.000 0.276 263 P C -0.244 177.034 177.300 -0.036 0.000 1.252 263 P CA -0.662 62.434 63.100 -0.007 0.000 0.802 263 P CB 0.867 32.555 31.700 -0.022 0.000 1.035 264 N N 0.692 119.392 118.700 -0.001 0.000 2.878 264 N HA 0.172 4.912 4.740 -0.001 0.000 0.282 264 N C -0.454 175.065 175.510 0.015 0.000 1.284 264 N CA -0.241 52.823 53.050 0.023 0.000 1.053 264 N CB -1.073 37.444 38.487 0.050 0.000 1.382 264 N HN 0.250 nan 8.380 nan 0.000 0.529 265 V N -2.744 117.149 119.914 -0.035 0.000 3.159 265 V HA 0.757 4.877 4.120 -0.001 0.000 0.308 265 V C -2.752 173.276 176.094 -0.109 0.000 1.190 265 V CA -2.498 59.768 62.300 -0.057 0.000 1.037 265 V CB 1.571 33.350 31.823 -0.074 0.000 1.060 265 V HN -0.089 nan 8.190 nan 0.000 0.437 266 P HA 0.242 nan 4.420 nan 0.000 0.264 266 P C 1.037 178.190 177.300 -0.246 0.000 1.193 266 P CA 0.068 63.068 63.100 -0.166 0.000 0.763 266 P CB 0.606 32.077 31.700 -0.382 0.000 0.810 267 L N 2.833 123.878 121.223 -0.296 0.000 2.042 267 L HA -0.271 4.069 4.340 -0.001 0.000 0.210 267 L C 2.236 178.675 176.870 -0.718 0.000 1.076 267 L CA 2.021 56.498 54.840 -0.606 0.000 0.749 267 L CB -0.766 40.940 42.059 -0.587 0.000 0.893 267 L HN 0.454 nan 8.230 nan 0.000 0.432 268 A N 0.362 122.947 122.820 -0.392 0.000 1.927 268 A HA -0.274 4.045 4.320 -0.001 0.000 0.220 268 A C 1.902 179.380 177.584 -0.177 0.000 1.185 268 A CA 2.292 54.184 52.037 -0.243 0.000 0.639 268 A CB -0.604 18.468 19.000 0.119 0.000 0.820 268 A HN 0.521 nan 8.150 nan 0.000 0.451 269 N N 0.097 118.699 118.700 -0.164 0.000 2.270 269 N HA 0.007 4.746 4.740 -0.001 0.000 0.181 269 N C 1.806 177.239 175.510 -0.129 0.000 1.016 269 N CA 1.387 54.380 53.050 -0.094 0.000 0.870 269 N CB -0.625 37.806 38.487 -0.094 0.000 0.979 269 N HN 0.482 nan 8.380 nan 0.000 0.431 270 A N 0.979 123.664 122.820 -0.225 0.000 1.930 270 A HA 0.078 4.397 4.320 -0.001 0.000 0.217 270 A C 2.331 179.854 177.584 -0.103 0.000 1.175 270 A CA 1.728 53.662 52.037 -0.171 0.000 0.627 270 A CB -0.671 18.192 19.000 -0.228 0.000 0.815 270 A HN 0.298 nan 8.150 nan 0.000 0.443 271 A N -0.915 121.804 122.820 -0.168 0.000 1.898 271 A HA -0.054 4.266 4.320 -0.001 0.000 0.216 271 A C 2.294 179.867 177.584 -0.017 0.000 1.181 271 A CA 2.190 54.293 52.037 0.110 0.000 0.620 271 A CB -1.259 17.724 19.000 -0.028 0.000 0.819 271 A HN 0.414 nan 8.150 nan 0.000 0.442 272 T N 0.566 115.114 114.554 -0.010 0.000 2.684 272 T HA -0.095 4.255 4.350 -0.001 0.000 0.267 272 T C 2.221 176.796 174.700 -0.208 0.000 1.036 272 T CA 1.743 63.788 62.100 -0.093 0.000 1.148 272 T CB -0.528 68.420 68.868 0.134 0.000 0.863 272 T HN 0.609 nan 8.240 nan 0.000 0.436 273 A N 1.485 124.206 122.820 -0.165 0.000 1.883 273 A HA -0.051 4.268 4.320 -0.001 0.000 0.217 273 A C 2.340 179.738 177.584 -0.310 0.000 1.186 273 A CA 1.387 53.307 52.037 -0.196 0.000 0.624 273 A CB -0.975 17.945 19.000 -0.133 0.000 0.822 273 A HN 0.490 nan 8.150 nan 0.000 0.444 274 L N -0.876 120.094 121.223 -0.422 0.000 2.042 274 L HA -0.250 4.090 4.340 -0.001 0.000 0.210 274 L C 3.108 179.587 176.870 -0.652 0.000 1.076 274 L CA 1.204 55.605 54.840 -0.733 0.000 0.749 274 L CB -0.711 40.492 42.059 -1.427 0.000 0.893 274 L HN 0.475 nan 8.230 nan 0.000 0.432 275 A N -0.229 122.316 122.820 -0.458 0.000 1.902 275 A HA -0.142 4.178 4.320 -0.001 0.000 0.217 275 A C 2.355 179.843 177.584 -0.159 0.000 1.181 275 A CA 1.720 53.575 52.037 -0.303 0.000 0.623 275 A CB -0.814 17.546 19.000 -1.068 0.000 0.818 275 A HN 0.187 nan 8.150 nan 0.000 0.443 276 V N 0.175 119.943 119.914 -0.243 0.000 2.287 276 V HA -0.289 3.831 4.120 -0.001 0.000 0.248 276 V C 2.586 178.455 176.094 -0.375 0.000 1.053 276 V CA 2.113 64.236 62.300 -0.295 0.000 1.027 276 V CB -0.792 30.766 31.823 -0.442 0.000 0.646 276 V HN 0.576 nan 8.190 nan 0.000 0.447 277 L N -0.775 120.236 121.223 -0.353 0.000 2.046 277 L HA -0.200 4.139 4.340 -0.001 0.000 0.208 277 L C 2.582 179.337 176.870 -0.191 0.000 1.077 277 L CA 2.003 56.687 54.840 -0.261 0.000 0.747 277 L CB -0.840 41.086 42.059 -0.222 0.000 0.896 277 L HN 0.449 nan 8.230 nan 0.000 0.432 278 H N -0.325 118.542 119.070 -0.338 0.000 2.290 278 H HA -0.239 4.317 4.556 -0.001 0.000 0.298 278 H C 2.025 177.137 175.328 -0.360 0.000 1.087 278 H CA 2.130 57.964 56.048 -0.357 0.000 1.291 278 H CB -0.343 29.177 29.762 -0.403 0.000 1.369 278 H HN 0.282 nan 8.280 nan 0.000 0.492 279 Y N 0.087 120.254 120.300 -0.222 0.000 2.509 279 Y HA -0.121 4.429 4.550 -0.001 0.000 0.293 279 Y C 2.926 178.720 175.900 -0.175 0.000 1.133 279 Y CA 0.745 58.674 58.100 -0.286 0.000 1.283 279 Y CB -0.101 38.211 38.460 -0.246 0.000 1.001 279 Y HN 0.394 nan 8.280 nan 0.000 0.555 280 S N 0.014 115.696 115.700 -0.031 0.000 2.447 280 S HA -0.218 4.251 4.470 -0.001 0.000 0.233 280 S C 0.935 175.554 174.600 0.032 0.000 1.006 280 S CA 1.117 59.355 58.200 0.063 0.000 0.957 280 S CB -0.343 62.959 63.200 0.171 0.000 0.773 280 S HN 0.603 nan 8.310 nan 0.000 0.507 281 E N -0.229 119.928 120.200 -0.072 0.000 3.496 281 E HA -0.169 4.181 4.350 -0.001 0.000 0.300 281 E C -0.599 175.982 176.600 -0.032 0.000 0.877 281 E CA 0.614 56.965 56.400 -0.083 0.000 1.050 281 E CB -2.138 27.527 29.700 -0.058 0.000 1.532 281 E HN 0.602 nan 8.360 nan 0.000 0.447 282 L N 2.315 123.542 121.223 0.006 0.000 2.490 282 L HA 0.126 4.466 4.340 -0.001 0.000 0.274 282 L C -1.481 175.379 176.870 -0.016 0.000 1.201 282 L CA -1.177 53.672 54.840 0.014 0.000 0.869 282 L CB -0.189 41.904 42.059 0.057 0.000 1.123 282 L HN -0.126 nan 8.230 nan 0.000 0.484 283 P HA 0.319 nan 4.420 nan 0.000 0.282 283 P C -1.104 176.181 177.300 -0.026 0.000 1.274 283 P CA -0.091 62.994 63.100 -0.025 0.000 0.770 283 P CB 0.812 32.500 31.700 -0.021 0.000 0.867 284 L N 2.152 123.354 121.223 -0.034 0.000 2.436 284 L HA 0.350 4.690 4.340 -0.001 0.000 0.268 284 L C 0.687 177.531 176.870 -0.044 0.000 0.974 284 L CA -0.826 53.990 54.840 -0.039 0.000 0.826 284 L CB 2.248 44.277 42.059 -0.051 0.000 1.291 284 L HN 0.341 nan 8.230 nan 0.000 0.406 285 S N -0.657 115.020 115.700 -0.039 0.000 2.585 285 S HA 0.035 4.505 4.470 -0.001 0.000 0.273 285 S C 0.684 175.255 174.600 -0.049 0.000 1.339 285 S CA -0.193 57.985 58.200 -0.037 0.000 1.028 285 S CB 1.473 64.655 63.200 -0.030 0.000 0.906 285 S HN 0.799 nan 8.310 nan 0.000 0.528 286 D N 0.808 121.180 120.400 -0.047 0.000 2.133 286 D HA -0.245 4.394 4.640 -0.001 0.000 0.195 286 D C 1.797 178.066 176.300 -0.051 0.000 0.997 286 D CA 2.009 55.976 54.000 -0.055 0.000 0.840 286 D CB -0.200 40.574 40.800 -0.045 0.000 0.947 286 D HN 0.849 nan 8.370 nan 0.000 0.452 287 E N -0.549 119.629 120.200 -0.038 0.000 2.085 287 E HA -0.248 4.102 4.350 -0.001 0.000 0.194 287 E C 1.974 178.555 176.600 -0.032 0.000 0.994 287 E CA 1.200 57.582 56.400 -0.031 0.000 0.801 287 E CB -0.245 29.442 29.700 -0.022 0.000 0.743 287 E HN 0.371 nan 8.360 nan 0.000 0.453 288 A N 0.805 123.604 122.820 -0.035 0.000 1.930 288 A HA -0.116 4.204 4.320 -0.001 0.000 0.217 288 A C 2.151 179.709 177.584 -0.044 0.000 1.175 288 A CA 1.132 53.149 52.037 -0.034 0.000 0.627 288 A CB -0.517 18.463 19.000 -0.032 0.000 0.815 288 A HN 0.334 nan 8.150 nan 0.000 0.443 289 I N -0.841 119.690 120.570 -0.064 0.000 2.179 289 I HA -0.278 3.891 4.170 -0.001 0.000 0.242 289 I C 2.803 178.880 176.117 -0.068 0.000 1.088 289 I CA 1.436 62.684 61.300 -0.088 0.000 1.357 289 I CB -0.294 37.626 38.000 -0.134 0.000 1.051 289 I HN 0.282 nan 8.210 nan 0.000 0.409 290 R N 0.218 120.683 120.500 -0.058 0.000 2.075 290 R HA -0.148 4.192 4.340 -0.001 0.000 0.232 290 R C 2.332 178.625 176.300 -0.013 0.000 1.126 290 R CA 1.210 57.288 56.100 -0.037 0.000 0.963 290 R CB -0.290 29.987 30.300 -0.038 0.000 0.858 290 R HN 0.472 nan 8.270 nan 0.000 0.435 291 Q N -0.441 119.350 119.800 -0.015 0.000 2.084 291 Q HA -0.097 4.243 4.340 -0.001 0.000 0.202 291 Q C 2.223 178.222 176.000 -0.001 0.000 0.978 291 Q CA 1.421 57.220 55.803 -0.006 0.000 0.844 291 Q CB -0.205 28.528 28.738 -0.008 0.000 0.898 291 Q HN 0.478 nan 8.270 nan 0.000 0.426 292 G N 1.094 109.889 108.800 -0.009 0.000 2.446 292 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.217 292 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.217 292 G C 1.404 176.308 174.900 0.007 0.000 1.168 292 G CA 0.599 45.696 45.100 -0.006 0.000 0.771 292 G HN 0.183 nan 8.290 nan 0.000 0.551 293 L N -0.090 121.143 121.223 0.016 0.000 2.079 293 L HA -0.153 4.186 4.340 -0.001 0.000 0.210 293 L C 3.134 180.035 176.870 0.053 0.000 1.081 293 L CA 1.278 56.151 54.840 0.055 0.000 0.752 293 L CB -0.386 41.742 42.059 0.114 0.000 0.896 293 L HN 0.305 nan 8.230 nan 0.000 0.433 294 Q N -0.734 119.089 119.800 0.040 0.000 2.297 294 Q HA -0.099 4.240 4.340 -0.001 0.000 0.204 294 Q C 2.219 178.235 176.000 0.026 0.000 0.962 294 Q CA 1.230 57.054 55.803 0.036 0.000 0.879 294 Q CB -0.060 28.695 28.738 0.027 0.000 0.947 294 Q HN 0.557 nan 8.270 nan 0.000 0.462 295 A N 0.741 123.573 122.820 0.020 0.000 2.095 295 A HA 0.341 4.661 4.320 -0.001 0.000 0.212 295 A C 1.084 178.678 177.584 0.016 0.000 1.162 295 A CA 0.265 52.312 52.037 0.016 0.000 0.753 295 A CB 0.067 19.074 19.000 0.012 0.000 0.840 295 A HN 0.265 nan 8.150 nan 0.000 0.468 296 A N 0.869 123.698 122.820 0.015 0.000 2.492 296 A HA 0.532 4.852 4.320 -0.001 0.000 0.254 296 A C 0.504 178.094 177.584 0.011 0.000 1.091 296 A CA 0.645 52.688 52.037 0.010 0.000 0.768 296 A CB -0.366 18.636 19.000 0.002 0.000 1.028 296 A HN 1.442 nan 8.150 nan 0.000 0.498 297 S N 1.670 117.379 115.700 0.014 0.000 2.595 297 S HA 0.709 5.178 4.470 -0.001 0.000 0.270 297 S C -1.300 173.311 174.600 0.018 0.000 1.145 297 S CA -0.833 57.377 58.200 0.017 0.000 0.825 297 S CB 0.635 63.848 63.200 0.022 0.000 1.107 297 S HN 0.812 nan 8.310 nan 0.000 0.461 298 L N 0.982 122.215 121.223 0.017 0.000 2.445 298 L HA 0.593 4.933 4.340 -0.001 0.000 0.262 298 L C -2.738 174.131 176.870 -0.002 0.000 0.974 298 L CA -2.377 52.473 54.840 0.016 0.000 0.822 298 L CB 2.778 44.851 42.059 0.023 0.000 1.339 298 L HN 0.520 nan 8.230 nan 0.000 0.409 299 P HA 0.114 nan 4.420 nan 0.000 0.265 299 P C 0.686 177.933 177.300 -0.088 0.000 1.193 299 P CA 0.674 63.750 63.100 -0.040 0.000 0.765 299 P CB 0.686 32.371 31.700 -0.026 0.000 0.823 300 G N 2.031 110.759 108.800 -0.119 0.000 2.179 300 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.260 300 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.260 300 G C 0.099 174.910 174.900 -0.150 0.000 0.977 300 G CA -0.255 44.731 45.100 -0.189 0.000 0.641 300 G HN 0.531 nan 8.290 nan 0.000 0.533 301 R N -1.011 119.452 120.500 -0.061 0.000 2.287 301 R HA 0.601 4.940 4.340 -0.001 0.000 0.316 301 R C 0.307 176.693 176.300 0.144 0.000 1.050 301 R CA -1.317 54.798 56.100 0.025 0.000 0.983 301 R CB -0.430 29.877 30.300 0.013 0.000 1.140 301 R HN 0.535 nan 8.270 nan 0.000 0.528 302 F N 0.932 120.884 119.950 0.003 0.000 2.829 302 F HA -0.311 4.215 4.527 -0.001 0.000 0.237 302 F C -0.061 175.729 175.800 -0.017 0.000 1.017 302 F CA 0.917 58.923 58.000 0.009 0.000 0.882 302 F CB -0.274 38.761 39.000 0.058 0.000 0.795 302 F HN 0.542 nan 8.300 nan 0.000 0.848 303 Q N 1.725 121.441 119.800 -0.141 0.000 2.296 303 Q HA 0.505 4.845 4.340 -0.001 0.000 0.257 303 Q C -0.688 175.190 176.000 -0.203 0.000 0.942 303 Q CA -0.671 55.058 55.803 -0.123 0.000 0.939 303 Q CB 1.203 29.880 28.738 -0.102 0.000 1.198 303 Q HN 0.220 nan 8.270 nan 0.000 0.429 304 V N 5.562 125.383 119.914 -0.156 0.000 2.455 304 V HA 0.044 4.163 4.120 -0.001 0.000 0.273 304 V C 0.752 176.791 176.094 -0.092 0.000 1.045 304 V CA -0.043 62.168 62.300 -0.149 0.000 0.976 304 V CB 1.224 32.987 31.823 -0.100 0.000 0.993 304 V HN 0.799 nan 8.190 nan 0.000 0.475 305 V N 3.462 123.322 119.914 -0.090 0.000 3.263 305 V HA 0.201 4.320 4.120 -0.001 0.000 0.248 305 V C 0.804 176.885 176.094 -0.021 0.000 1.145 305 V CA 0.912 63.179 62.300 -0.054 0.000 1.107 305 V CB 0.972 32.755 31.823 -0.067 0.000 0.797 305 V HN 0.806 nan 8.190 nan 0.000 0.467 306 S N -1.112 114.573 115.700 -0.024 0.000 2.565 306 S HA 0.557 5.026 4.470 -0.001 0.000 0.269 306 S C -1.575 173.012 174.600 -0.021 0.000 1.153 306 S CA -0.646 57.549 58.200 -0.007 0.000 0.835 306 S CB 2.060 65.272 63.200 0.021 0.000 1.122 306 S HN 0.419 nan 8.310 nan 0.000 0.462 307 E N 0.973 121.165 120.200 -0.015 0.000 2.277 307 E HA 0.498 4.848 4.350 -0.001 0.000 0.266 307 E C -1.234 175.356 176.600 -0.017 0.000 0.901 307 E CA -0.722 55.668 56.400 -0.017 0.000 0.782 307 E CB 1.493 31.187 29.700 -0.011 0.000 1.228 307 E HN 0.518 nan 8.360 nan 0.000 0.424 308 Q N 0.682 120.471 119.800 -0.019 0.000 2.459 308 Q HA -0.124 4.216 4.340 -0.001 0.000 0.322 308 Q C -2.489 173.497 176.000 -0.024 0.000 1.427 308 Q CA 0.191 55.983 55.803 -0.019 0.000 0.861 308 Q CB -1.172 27.558 28.738 -0.013 0.000 1.137 308 Q HN 0.271 nan 8.270 nan 0.000 0.394 309 P HA 0.202 nan 4.420 nan 0.000 0.284 309 P C -0.553 176.725 177.300 -0.037 0.000 1.258 309 P CA -0.816 62.262 63.100 -0.037 0.000 0.824 309 P CB 0.903 32.572 31.700 -0.051 0.000 1.038 310 L N 3.233 124.431 121.223 -0.042 0.000 2.477 310 L HA 0.147 4.487 4.340 -0.001 0.000 0.272 310 L C -0.310 176.519 176.870 -0.070 0.000 1.157 310 L CA -0.100 54.707 54.840 -0.054 0.000 0.889 310 L CB -0.662 41.364 42.059 -0.055 0.000 1.158 310 L HN 0.251 nan 8.230 nan 0.000 0.473 311 L N 7.228 128.411 121.223 -0.066 0.000 2.298 311 L HA 0.620 4.959 4.340 -0.001 0.000 0.284 311 L C -0.862 175.927 176.870 -0.135 0.000 1.013 311 L CA 0.015 54.821 54.840 -0.057 0.000 0.824 311 L CB 0.931 43.011 42.059 0.036 0.000 1.221 311 L HN 0.514 nan 8.230 nan 0.000 0.418 312 I N 5.719 126.169 120.570 -0.200 0.000 2.474 312 I HA 0.419 4.589 4.170 -0.001 0.000 0.294 312 I C -0.813 175.146 176.117 -0.263 0.000 1.005 312 I CA -0.683 60.417 61.300 -0.333 0.000 1.113 312 I CB 1.893 39.544 38.000 -0.581 0.000 1.289 312 I HN 0.459 nan 8.210 nan 0.000 0.436 313 L N 4.812 125.882 121.223 -0.256 0.000 2.322 313 L HA 0.597 4.937 4.340 -0.001 0.000 0.281 313 L C -1.157 175.615 176.870 -0.163 0.000 1.014 313 L CA -0.401 54.319 54.840 -0.200 0.000 0.815 313 L CB 1.631 43.570 42.059 -0.200 0.000 1.247 313 L HN 0.550 nan 8.230 nan 0.000 0.421 314 D N 0.885 121.221 120.400 -0.108 0.000 2.970 314 D HA 0.244 4.884 4.640 -0.001 0.000 0.230 314 D C 0.344 176.615 176.300 -0.048 0.000 1.276 314 D CA -0.562 53.417 54.000 -0.035 0.000 0.910 314 D CB 2.275 43.133 40.800 0.097 0.000 1.590 314 D HN 0.283 nan 8.370 nan 0.000 0.551 315 V N 1.733 121.580 119.914 -0.112 0.000 3.592 315 V HA 0.451 4.571 4.120 -0.001 0.000 0.272 315 V C 0.960 177.100 176.094 0.075 0.000 1.228 315 V CA 0.258 62.486 62.300 -0.120 0.000 1.173 315 V CB -1.064 30.472 31.823 -0.478 0.000 0.873 315 V HN 0.631 nan 8.190 nan 0.000 0.476 316 A N 2.386 125.239 122.820 0.056 0.000 2.598 316 A HA 0.123 4.443 4.320 -0.001 0.000 0.239 316 A C 0.998 178.638 177.584 0.094 0.000 1.032 316 A CA 1.183 53.239 52.037 0.033 0.000 0.760 316 A CB -0.568 18.485 19.000 0.087 0.000 0.946 316 A HN 1.065 nan 8.150 nan 0.000 0.512 317 H N 0.731 119.863 119.070 0.104 0.000 3.124 317 H HA 0.262 4.817 4.556 -0.001 0.000 0.250 317 H C -0.531 174.841 175.328 0.073 0.000 1.184 317 H CA 0.026 56.128 56.048 0.090 0.000 1.013 317 H CB -0.406 29.415 29.762 0.099 0.000 1.891 317 H HN 0.775 nan 8.280 nan 0.000 0.687 318 N N -0.716 117.993 118.700 0.015 0.000 2.825 318 N HA 0.284 5.023 4.740 -0.001 0.000 0.253 318 N C -2.752 172.797 175.510 0.065 0.000 1.426 318 N CA -1.831 51.255 53.050 0.060 0.000 0.851 318 N CB 1.611 40.143 38.487 0.076 0.000 1.470 318 N HN -0.338 nan 8.380 nan 0.000 0.517 319 P HA -0.116 nan 4.420 nan 0.000 0.218 319 P C 0.818 178.184 177.300 0.110 0.000 1.149 319 P CA 1.357 64.505 63.100 0.081 0.000 0.817 319 P CB -0.001 31.740 31.700 0.068 0.000 0.785 320 H N -0.005 119.079 119.070 0.024 0.000 2.353 320 H HA -0.028 4.527 4.556 -0.001 0.000 0.300 320 H C 1.825 177.182 175.328 0.049 0.000 1.090 320 H CA 1.944 58.010 56.048 0.030 0.000 1.327 320 H CB -0.578 29.194 29.762 0.016 0.000 1.383 320 H HN -0.042 nan 8.280 nan 0.000 0.508 321 A N 0.750 123.615 122.820 0.074 0.000 1.898 321 A HA -0.039 4.281 4.320 -0.001 0.000 0.216 321 A C 2.578 180.226 177.584 0.106 0.000 1.181 321 A CA 1.536 53.597 52.037 0.040 0.000 0.620 321 A CB -1.276 17.705 19.000 -0.032 0.000 0.819 321 A HN 0.613 nan 8.150 nan 0.000 0.442 322 A N -0.136 122.731 122.820 0.077 0.000 1.933 322 A HA -0.137 4.183 4.320 -0.001 0.000 0.218 322 A C 2.164 179.776 177.584 0.046 0.000 1.175 322 A CA 2.092 54.177 52.037 0.080 0.000 0.628 322 A CB -0.423 18.629 19.000 0.087 0.000 0.814 322 A HN 0.478 nan 8.150 nan 0.000 0.444 323 R N -0.872 119.643 120.500 0.025 0.000 2.073 323 R HA -0.188 4.151 4.340 -0.001 0.000 0.234 323 R C 1.965 178.243 176.300 -0.038 0.000 1.134 323 R CA 2.232 58.327 56.100 -0.009 0.000 0.952 323 R CB -1.191 29.095 30.300 -0.022 0.000 0.850 323 R HN 0.623 nan 8.270 nan 0.000 0.433 324 Y N 0.096 120.309 120.300 -0.145 0.000 2.165 324 Y HA -0.187 4.363 4.550 -0.001 0.000 0.286 324 Y C 1.778 177.607 175.900 -0.118 0.000 1.155 324 Y CA 1.855 59.865 58.100 -0.150 0.000 1.164 324 Y CB -0.468 37.883 38.460 -0.182 0.000 0.978 324 Y HN 0.195 nan 8.280 nan 0.000 0.513 325 L N -0.239 120.827 121.223 -0.263 0.000 2.056 325 L HA -0.117 4.223 4.340 -0.001 0.000 0.207 325 L C 2.297 179.032 176.870 -0.224 0.000 1.078 325 L CA 1.521 56.195 54.840 -0.276 0.000 0.749 325 L CB -0.962 41.121 42.059 0.041 0.000 0.901 325 L HN 0.221 nan 8.230 nan 0.000 0.433 326 V N 0.255 120.088 119.914 -0.134 0.000 2.343 326 V HA -0.281 3.839 4.120 -0.001 0.000 0.247 326 V C 2.344 178.351 176.094 -0.144 0.000 1.051 326 V CA 1.851 64.096 62.300 -0.092 0.000 1.036 326 V CB -0.888 30.911 31.823 -0.039 0.000 0.654 326 V HN 0.512 nan 8.190 nan 0.000 0.451 327 N N 0.060 118.639 118.700 -0.201 0.000 2.223 327 N HA -0.121 4.618 4.740 -0.001 0.000 0.185 327 N C 1.938 177.275 175.510 -0.288 0.000 1.016 327 N CA 1.097 54.023 53.050 -0.207 0.000 0.863 327 N CB -0.319 38.059 38.487 -0.182 0.000 0.983 327 N HN 0.426 nan 8.380 nan 0.000 0.429 328 R N 0.578 120.792 120.500 -0.477 0.000 2.075 328 R HA 0.109 4.448 4.340 -0.001 0.000 0.226 328 R C 2.298 178.426 176.300 -0.288 0.000 1.114 328 R CA 0.350 56.099 56.100 -0.586 0.000 0.972 328 R CB -0.627 28.957 30.300 -1.193 0.000 0.869 328 R HN 0.269 nan 8.270 nan 0.000 0.437 329 L N 0.485 121.636 121.223 -0.120 0.000 2.083 329 L HA -0.147 4.192 4.340 -0.001 0.000 0.209 329 L C 2.670 179.529 176.870 -0.018 0.000 1.083 329 L CA 1.273 56.129 54.840 0.027 0.000 0.752 329 L CB -0.697 41.376 42.059 0.022 0.000 0.899 329 L HN 0.164 nan 8.230 nan 0.000 0.433 330 A N 0.338 123.122 122.820 -0.061 0.000 1.986 330 A HA -0.249 4.070 4.320 -0.001 0.000 0.220 330 A C 2.094 179.653 177.584 -0.041 0.000 1.171 330 A CA 1.978 53.985 52.037 -0.049 0.000 0.640 330 A CB -0.530 18.434 19.000 -0.060 0.000 0.811 330 A HN 0.690 nan 8.150 nan 0.000 0.451 331 Q N -0.210 119.556 119.800 -0.057 0.000 2.246 331 Q HA 0.316 4.656 4.340 -0.001 0.000 0.202 331 Q C 0.147 176.142 176.000 -0.009 0.000 0.883 331 Q CA 0.399 56.177 55.803 -0.041 0.000 0.952 331 Q CB -0.387 28.312 28.738 -0.065 0.000 1.078 331 Q HN 0.558 nan 8.270 nan 0.000 0.493 343 K N 0.724 121.116 120.400 -0.012 0.000 2.267 343 K HA 0.702 5.022 4.320 -0.001 0.000 0.246 343 K C -0.667 175.915 176.600 -0.030 0.000 0.954 343 K CA -0.971 55.307 56.287 -0.015 0.000 0.824 343 K CB 3.162 35.661 32.500 -0.002 0.000 1.167 343 K HN 0.247 nan 8.250 nan 0.000 0.431 344 V N 3.044 122.928 119.914 -0.049 0.000 2.370 344 V HA 0.316 4.436 4.120 -0.001 0.000 0.279 344 V C -0.195 175.832 176.094 -0.110 0.000 1.029 344 V CA -0.630 61.621 62.300 -0.082 0.000 0.870 344 V CB 0.859 32.623 31.823 -0.098 0.000 0.984 344 V HN 0.604 nan 8.190 nan 0.000 0.451 345 R N 3.587 124.030 120.500 -0.096 0.000 2.310 345 R HA 0.749 5.088 4.340 -0.001 0.000 0.324 345 R C -0.387 175.834 176.300 -0.131 0.000 0.955 345 R CA -0.349 55.727 56.100 -0.040 0.000 0.830 345 R CB 1.920 32.199 30.300 -0.036 0.000 1.154 345 R HN 0.773 nan 8.270 nan 0.000 0.458 346 A N 3.127 125.841 122.820 -0.178 0.000 2.288 346 A HA 0.487 4.806 4.320 -0.001 0.000 0.320 346 A C -0.382 177.242 177.584 0.067 0.000 1.217 346 A CA -0.630 51.280 52.037 -0.211 0.000 0.840 346 A CB 1.249 19.860 19.000 -0.649 0.000 1.179 346 A HN 0.468 nan 8.150 nan 0.000 0.504 347 V N 3.494 123.445 119.914 0.063 0.000 2.333 347 V HA 0.472 4.592 4.120 -0.001 0.000 0.274 347 V C -0.238 175.964 176.094 0.180 0.000 1.028 347 V CA -0.350 62.037 62.300 0.145 0.000 0.851 347 V CB 1.046 32.905 31.823 0.061 0.000 1.000 347 V HN 0.743 nan 8.190 nan 0.000 0.456 348 V N 4.862 124.942 119.914 0.277 0.000 2.656 348 V HA 0.996 5.116 4.120 -0.001 0.000 0.307 348 V C 0.086 176.311 176.094 0.218 0.000 1.051 348 V CA 0.174 62.641 62.300 0.278 0.000 0.893 348 V CB 1.970 34.059 31.823 0.444 0.000 0.999 348 V HN 0.916 nan 8.190 nan 0.000 0.426 349 G N 6.172 115.076 108.800 0.174 0.000 2.638 349 G HA2 0.749 4.709 3.960 -0.001 0.000 0.302 349 G HA3 0.749 4.709 3.960 -0.001 0.000 0.302 349 G C -1.370 173.614 174.900 0.139 0.000 1.365 349 G CA -0.734 44.453 45.100 0.145 0.000 0.987 349 G HN 0.725 nan 8.290 nan 0.000 0.495 350 M N 1.100 120.764 119.600 0.107 0.000 2.575 350 M HA 0.442 4.922 4.480 -0.001 0.000 0.284 350 M C -0.709 175.623 176.300 0.053 0.000 1.253 350 M CA -0.731 54.624 55.300 0.092 0.000 0.861 350 M CB 2.649 35.292 32.600 0.072 0.000 1.733 350 M HN 0.202 nan 8.290 nan 0.000 0.462 351 L N 0.814 122.058 121.223 0.036 0.000 2.371 351 L HA 0.265 4.604 4.340 -0.001 0.000 0.272 351 L C 1.390 178.226 176.870 -0.058 0.000 1.124 351 L CA -0.271 54.560 54.840 -0.014 0.000 0.816 351 L CB 1.372 43.417 42.059 -0.024 0.000 1.129 351 L HN 0.984 nan 8.230 nan 0.000 0.448 352 S N -0.240 115.418 115.700 -0.069 0.000 2.423 352 S HA -0.154 4.316 4.470 -0.001 0.000 0.231 352 S C 1.101 175.606 174.600 -0.160 0.000 1.014 352 S CA 0.864 59.014 58.200 -0.084 0.000 0.965 352 S CB -0.280 62.885 63.200 -0.059 0.000 0.785 352 S HN 0.846 nan 8.310 nan 0.000 0.495 353 D N 0.617 120.881 120.400 -0.227 0.000 2.349 353 D HA 0.102 4.742 4.640 -0.001 0.000 0.224 353 D C 0.397 176.288 176.300 -0.682 0.000 1.029 353 D CA 0.124 53.842 54.000 -0.471 0.000 0.879 353 D CB -0.113 40.431 40.800 -0.426 0.000 0.906 353 D HN 0.156 nan 8.370 nan 0.000 0.528 354 K N 0.636 120.821 120.400 -0.359 0.000 2.090 354 K HA 0.159 4.479 4.320 -0.001 0.000 0.249 354 K C -0.210 176.269 176.600 -0.202 0.000 0.995 354 K CA -0.655 55.480 56.287 -0.253 0.000 0.914 354 K CB 0.590 33.038 32.500 -0.086 0.000 1.057 354 K HN -0.077 nan 8.250 nan 0.000 0.462 355 D N 2.044 122.368 120.400 -0.127 0.000 2.498 355 D HA 0.069 4.709 4.640 -0.001 0.000 0.229 355 D C 0.985 177.219 176.300 -0.110 0.000 1.188 355 D CA 0.054 53.991 54.000 -0.105 0.000 1.028 355 D CB -0.473 40.297 40.800 -0.049 0.000 1.087 355 D HN 0.363 nan 8.370 nan 0.000 0.510 356 I N 1.875 122.350 120.570 -0.159 0.000 2.179 356 I HA -0.259 3.911 4.170 -0.001 0.000 0.242 356 I C 2.348 178.241 176.117 -0.374 0.000 1.088 356 I CA 0.966 62.142 61.300 -0.208 0.000 1.357 356 I CB -0.152 37.738 38.000 -0.184 0.000 1.051 356 I HN 0.369 nan 8.210 nan 0.000 0.409 357 A N 1.006 123.515 122.820 -0.518 0.000 1.883 357 A HA -0.157 4.162 4.320 -0.001 0.000 0.217 357 A C 2.434 179.870 177.584 -0.247 0.000 1.186 357 A CA 2.102 53.788 52.037 -0.585 0.000 0.624 357 A CB -1.478 17.317 19.000 -0.341 0.000 0.822 357 A HN 0.465 nan 8.150 nan 0.000 0.444 358 G N -1.589 107.127 108.800 -0.140 0.000 2.403 358 G HA2 -0.059 3.900 3.960 -0.001 0.000 0.216 358 G HA3 -0.059 3.900 3.960 -0.001 0.000 0.216 358 G C 1.542 176.427 174.900 -0.025 0.000 1.154 358 G CA 1.573 46.640 45.100 -0.055 0.000 0.784 358 G HN 0.442 nan 8.290 nan 0.000 0.538 359 T N 1.546 116.082 114.554 -0.031 0.000 2.737 359 T HA -0.018 4.331 4.350 -0.001 0.000 0.265 359 T C 2.423 177.155 174.700 0.053 0.000 1.038 359 T CA 0.834 62.949 62.100 0.026 0.000 1.144 359 T CB -0.227 68.664 68.868 0.037 0.000 0.866 359 T HN 0.136 nan 8.240 nan 0.000 0.434 360 L N 0.821 122.033 121.223 -0.019 0.000 2.083 360 L HA -0.072 4.268 4.340 -0.001 0.000 0.209 360 L C 3.085 179.972 176.870 0.027 0.000 1.083 360 L CA 1.138 55.957 54.840 -0.035 0.000 0.752 360 L CB -0.770 41.141 42.059 -0.247 0.000 0.899 360 L HN 0.251 nan 8.230 nan 0.000 0.433 361 A N -0.699 122.118 122.820 -0.005 0.000 1.902 361 A HA -0.284 4.035 4.320 -0.001 0.000 0.217 361 A C 2.514 180.145 177.584 0.079 0.000 1.181 361 A CA 1.909 53.965 52.037 0.031 0.000 0.623 361 A CB -1.247 17.758 19.000 0.008 0.000 0.818 361 A HN 0.580 nan 8.150 nan 0.000 0.443 362 C N -0.435 118.910 119.300 0.076 0.000 2.436 362 C HA -0.021 4.439 4.460 -0.001 0.000 0.277 362 C C 2.628 177.692 174.990 0.122 0.000 1.241 362 C CA 1.172 60.239 59.018 0.082 0.000 1.721 362 C CB -1.568 26.212 27.740 0.068 0.000 2.043 362 C HN 0.586 nan 8.230 nan 0.000 0.472 363 L N 0.936 122.270 121.223 0.186 0.000 2.127 363 L HA -0.115 4.224 4.340 -0.001 0.000 0.211 363 L C 2.683 179.734 176.870 0.301 0.000 1.089 363 L CA 1.713 56.698 54.840 0.242 0.000 0.757 363 L CB -0.663 41.629 42.059 0.388 0.000 0.899 363 L HN 0.333 nan 8.230 nan 0.000 0.434 364 S N -0.477 115.462 115.700 0.398 0.000 2.500 364 S HA -0.151 4.319 4.470 -0.001 0.000 0.239 364 S C 1.662 176.390 174.600 0.212 0.000 0.989 364 S CA 0.822 59.269 58.200 0.412 0.000 0.951 364 S CB -0.225 63.165 63.200 0.317 0.000 0.759 364 S HN 0.479 nan 8.310 nan 0.000 0.523 365 E N 0.420 120.703 120.200 0.139 0.000 2.268 365 E HA -0.093 4.256 4.350 -0.001 0.000 0.195 365 E C 2.137 178.771 176.600 0.057 0.000 0.995 365 E CA 0.720 57.169 56.400 0.081 0.000 0.836 365 E CB 0.086 29.819 29.700 0.055 0.000 0.763 365 E HN 0.132 nan 8.360 nan 0.000 0.491 366 R N -0.132 120.397 120.500 0.048 0.000 2.412 366 R HA 0.120 4.459 4.340 -0.001 0.000 0.212 366 R C -0.166 176.112 176.300 -0.035 0.000 0.878 366 R CA 0.119 56.221 56.100 0.004 0.000 1.022 366 R CB 0.537 30.829 30.300 -0.014 0.000 1.265 366 R HN -0.152 nan 8.270 nan 0.000 0.620 367 V N 2.679 122.551 119.914 -0.071 0.000 2.637 367 V HA 0.041 4.161 4.120 -0.001 0.000 0.296 367 V C 0.498 176.500 176.094 -0.154 0.000 1.046 367 V CA 0.440 62.589 62.300 -0.252 0.000 1.066 367 V CB 1.459 32.859 31.823 -0.706 0.000 0.968 367 V HN 0.310 nan 8.190 nan 0.000 0.483 368 D N 1.709 122.019 120.400 -0.150 0.000 2.323 368 D HA 0.095 4.734 4.640 -0.001 0.000 0.218 368 D C 0.424 176.705 176.300 -0.030 0.000 0.973 368 D CA 0.675 54.648 54.000 -0.046 0.000 0.890 368 D CB 0.722 41.508 40.800 -0.023 0.000 1.011 368 D HN 0.561 nan 8.370 nan 0.000 0.499 369 E N -0.124 120.017 120.200 -0.097 0.000 2.275 369 E HA 0.260 4.609 4.350 -0.001 0.000 0.270 369 E C -1.229 175.335 176.600 -0.059 0.000 0.882 369 E CA -0.480 55.914 56.400 -0.010 0.000 0.758 369 E CB 1.813 31.564 29.700 0.086 0.000 1.195 369 E HN -0.005 nan 8.360 nan 0.000 0.419 370 W N 1.771 123.068 121.300 -0.005 0.000 2.529 370 W HA 0.401 5.061 4.660 -0.001 0.000 0.321 370 W C -0.537 175.965 176.519 -0.029 0.000 1.047 370 W CA -0.536 56.855 57.345 0.078 0.000 1.216 370 W CB 1.149 30.642 29.460 0.055 0.000 1.357 370 W HN 0.418 nan 8.180 nan 0.000 0.489 371 Y N 3.078 123.632 120.300 0.424 0.000 2.555 371 Y HA 0.423 4.973 4.550 -0.001 0.000 0.326 371 Y C 0.017 176.171 175.900 0.423 0.000 0.984 371 Y CA -0.973 57.391 58.100 0.439 0.000 1.298 371 Y CB 0.737 39.279 38.460 0.137 0.000 1.094 371 Y HN 0.158 nan 8.280 nan 0.000 0.500 372 C N 2.719 122.336 119.300 0.529 0.000 2.365 372 C HA 0.935 5.394 4.460 -0.001 0.000 0.351 372 C C 0.477 175.672 174.990 0.343 0.000 1.240 372 C CA -0.509 58.723 59.018 0.356 0.000 2.062 372 C CB 0.063 27.921 27.740 0.198 0.000 2.387 372 C HN 0.884 nan 8.230 nan 0.000 0.537 373 A N 4.191 127.152 122.820 0.236 0.000 2.556 373 A HA 0.957 5.276 4.320 -0.001 0.000 0.294 373 A C -2.965 174.682 177.584 0.106 0.000 1.091 373 A CA -1.156 50.990 52.037 0.182 0.000 0.704 373 A CB 1.338 20.433 19.000 0.158 0.000 1.300 373 A HN 0.623 nan 8.150 nan 0.000 0.406 374 P HA 0.559 nan 4.420 nan 0.000 0.279 374 P C -0.943 176.370 177.300 0.022 0.000 1.252 374 P CA -0.236 62.887 63.100 0.038 0.000 0.811 374 P CB 0.927 32.641 31.700 0.024 0.000 1.035 375 L N 0.759 121.998 121.223 0.027 0.000 2.330 375 L HA 0.417 4.756 4.340 -0.001 0.000 0.271 375 L C 1.110 177.981 176.870 0.003 0.000 1.013 375 L CA -0.905 53.955 54.840 0.032 0.000 0.816 375 L CB 1.516 43.598 42.059 0.039 0.000 1.287 375 L HN 0.365 nan 8.230 nan 0.000 0.435 376 E N 0.313 120.519 120.200 0.010 0.000 2.622 376 E HA 0.521 4.871 4.350 -0.001 0.000 0.255 376 E C 0.199 176.766 176.600 -0.056 0.000 1.313 376 E CA 0.090 56.487 56.400 -0.006 0.000 1.011 376 E CB 0.545 30.266 29.700 0.035 0.000 1.173 376 E HN 0.782 nan 8.360 nan 0.000 0.601 377 G N 0.598 109.371 108.800 -0.044 0.000 2.804 377 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.230 377 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.230 377 G C -1.708 173.163 174.900 -0.049 0.000 1.386 377 G CA -0.282 44.784 45.100 -0.057 0.000 0.875 377 G HN 0.524 nan 8.290 nan 0.000 0.557 378 P HA 0.103 nan 4.420 nan 0.000 0.225 378 P C 1.813 179.089 177.300 -0.040 0.000 1.156 378 P CA 2.200 65.278 63.100 -0.036 0.000 0.787 378 P CB -0.083 31.600 31.700 -0.029 0.000 0.802 379 R N 0.802 121.268 120.500 -0.057 0.000 2.276 379 R HA 0.271 4.611 4.340 -0.001 0.000 0.196 379 R C 1.526 177.790 176.300 -0.060 0.000 0.961 379 R CA 0.783 56.848 56.100 -0.057 0.000 1.024 379 R CB -1.387 28.875 30.300 -0.064 0.000 0.940 379 R HN 0.373 nan 8.270 nan 0.000 0.480 380 G N 0.040 108.802 108.800 -0.062 0.000 2.403 380 G HA2 0.509 4.468 3.960 -0.001 0.000 0.259 380 G HA3 0.509 4.468 3.960 -0.001 0.000 0.259 380 G C 0.215 175.102 174.900 -0.022 0.000 1.244 380 G CA 0.243 45.317 45.100 -0.044 0.000 0.849 380 G HN 0.777 nan 8.290 nan 0.000 0.532 381 A N 1.941 124.756 122.820 -0.008 0.000 2.351 381 A HA 0.627 4.947 4.320 -0.001 0.000 0.257 381 A C 1.050 178.642 177.584 0.012 0.000 1.087 381 A CA 0.115 52.153 52.037 0.002 0.000 0.798 381 A CB 0.313 19.320 19.000 0.011 0.000 1.033 381 A HN 1.520 nan 8.150 nan 0.000 0.488 382 S N 0.873 116.579 115.700 0.008 0.000 2.632 382 S HA 0.485 4.954 4.470 -0.001 0.000 0.267 382 S C 1.280 175.894 174.600 0.022 0.000 1.276 382 S CA -0.136 58.071 58.200 0.011 0.000 0.998 382 S CB 1.136 64.335 63.200 -0.001 0.000 0.953 382 S HN 1.600 nan 8.310 nan 0.000 0.547 383 A N 1.673 124.511 122.820 0.029 0.000 1.940 383 A HA 0.094 4.413 4.320 -0.001 0.000 0.219 383 A C 2.196 179.784 177.584 0.006 0.000 1.176 383 A CA 1.810 53.871 52.037 0.040 0.000 0.631 383 A CB -1.855 17.175 19.000 0.051 0.000 0.814 383 A HN 1.156 nan 8.150 nan 0.000 0.446 384 G N -0.866 107.925 108.800 -0.015 0.000 2.440 384 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.218 384 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.218 384 G C 1.569 176.438 174.900 -0.051 0.000 1.154 384 G CA 1.008 46.084 45.100 -0.041 0.000 0.767 384 G HN 0.650 nan 8.290 nan 0.000 0.552 385 Q N -0.304 119.482 119.800 -0.024 0.000 2.181 385 Q HA 0.001 4.341 4.340 -0.001 0.000 0.205 385 Q C 2.595 178.628 176.000 0.055 0.000 0.980 385 Q CA 0.874 56.675 55.803 -0.003 0.000 0.862 385 Q CB -0.204 28.546 28.738 0.021 0.000 0.905 385 Q HN 0.488 nan 8.270 nan 0.000 0.429 386 L N -0.490 120.758 121.223 0.041 0.000 2.068 386 L HA -0.026 4.313 4.340 -0.001 0.000 0.204 386 L C 2.492 179.345 176.870 -0.028 0.000 1.076 386 L CA 0.745 55.615 54.840 0.050 0.000 0.753 386 L CB -0.634 41.439 42.059 0.024 0.000 0.910 386 L HN 0.146 nan 8.230 nan 0.000 0.439 387 A N 0.993 123.771 122.820 -0.070 0.000 2.019 387 A HA -0.222 4.098 4.320 -0.001 0.000 0.219 387 A C 2.155 179.643 177.584 -0.160 0.000 1.164 387 A CA 1.679 53.646 52.037 -0.118 0.000 0.644 387 A CB -0.614 18.335 19.000 -0.086 0.000 0.805 387 A HN 0.653 nan 8.150 nan 0.000 0.449 388 E N -0.945 119.132 120.200 -0.206 0.000 2.338 388 E HA -0.214 4.136 4.350 -0.001 0.000 0.197 388 E C 0.972 177.321 176.600 -0.419 0.000 1.007 388 E CA 1.203 57.417 56.400 -0.309 0.000 0.849 388 E CB -0.470 29.011 29.700 -0.365 0.000 0.774 388 E HN 0.790 nan 8.360 nan 0.000 0.506 389 H N 0.140 119.122 119.070 -0.146 0.000 2.551 389 H HA 0.298 4.854 4.556 -0.001 0.000 0.271 389 H C 0.078 175.276 175.328 -0.217 0.000 0.984 389 H CA 0.131 56.083 56.048 -0.161 0.000 1.164 389 H CB 0.564 30.225 29.762 -0.168 0.000 1.437 389 H HN 0.122 nan 8.280 nan 0.000 0.550 390 L N 0.923 122.039 121.223 -0.178 0.000 2.319 390 L HA 0.295 4.635 4.340 -0.001 0.000 0.281 390 L C 1.807 178.594 176.870 -0.138 0.000 1.005 390 L CA -0.510 54.173 54.840 -0.262 0.000 0.828 390 L CB 1.821 43.577 42.059 -0.506 0.000 1.227 390 L HN -0.072 nan 8.230 nan 0.000 0.415 391 V N 2.389 122.256 119.914 -0.077 0.000 2.277 391 V HA -0.244 3.875 4.120 -0.001 0.000 0.253 391 V C 1.105 177.183 176.094 -0.026 0.000 1.067 391 V CA 2.533 64.813 62.300 -0.033 0.000 1.047 391 V CB -0.349 31.476 31.823 0.004 0.000 0.649 391 V HN 0.778 nan 8.190 nan 0.000 0.447 392 S N -1.722 113.975 115.700 -0.004 0.000 2.548 392 S HA 0.888 5.357 4.470 -0.001 0.000 0.276 392 S C -0.922 173.705 174.600 0.044 0.000 1.129 392 S CA 0.309 58.515 58.200 0.010 0.000 0.931 392 S CB 1.763 64.981 63.200 0.030 0.000 1.068 392 S HN 2.287 nan 8.310 nan 0.000 0.480 393 A N 2.721 125.547 122.820 0.010 0.000 2.608 393 A HA 0.815 5.134 4.320 -0.001 0.000 0.292 393 A C -1.108 176.453 177.584 -0.038 0.000 1.066 393 A CA -1.017 51.046 52.037 0.045 0.000 0.676 393 A CB 1.314 20.322 19.000 0.012 0.000 1.277 393 A HN 0.865 nan 8.150 nan 0.000 0.413 394 R N 0.446 120.908 120.500 -0.063 0.000 2.598 394 R HA 0.582 4.921 4.340 -0.001 0.000 0.279 394 R C -0.728 175.446 176.300 -0.211 0.000 0.984 394 R CA -0.537 55.436 56.100 -0.211 0.000 0.999 394 R CB 1.584 31.687 30.300 -0.329 0.000 1.114 394 R HN 0.798 nan 8.270 nan 0.000 0.493 395 Q N 1.709 121.278 119.800 -0.385 0.000 2.274 395 Q HA 0.427 4.766 4.340 -0.001 0.000 0.260 395 Q C -1.130 174.537 176.000 -0.556 0.000 0.974 395 Q CA -0.411 55.238 55.803 -0.257 0.000 0.876 395 Q CB 1.793 30.449 28.738 -0.138 0.000 1.297 395 Q HN 0.342 nan 8.270 nan 0.000 0.446 396 F N -0.788 119.194 119.950 0.053 0.000 2.611 396 F HA 0.219 4.745 4.527 -0.000 0.000 0.324 396 F C 1.332 177.152 175.800 0.033 0.000 1.061 396 F CA -0.719 57.313 58.000 0.053 0.000 0.954 396 F CB 1.628 40.681 39.000 0.089 0.000 1.301 396 F HN 0.620 nan 8.300 nan 0.000 0.482 397 S N -1.016 114.811 115.700 0.213 0.000 2.428 397 S HA 0.031 4.501 4.470 -0.001 0.000 0.230 397 S C -0.214 174.436 174.600 0.083 0.000 1.014 397 S CA 1.127 59.392 58.200 0.108 0.000 0.957 397 S CB -0.693 62.559 63.200 0.087 0.000 0.784 397 S HN 0.745 nan 8.310 nan 0.000 0.499 398 D N -1.648 118.812 120.400 0.100 0.000 2.671 398 D HA 0.312 4.951 4.640 -0.001 0.000 0.273 398 D C 0.559 176.860 176.300 0.001 0.000 1.264 398 D CA -0.740 53.262 54.000 0.004 0.000 0.788 398 D CB 0.918 41.685 40.800 -0.055 0.000 1.324 398 D HN -0.160 nan 8.370 nan 0.000 0.424 399 V N 0.154 119.996 119.914 -0.121 0.000 2.295 399 V HA -0.218 3.902 4.120 -0.001 0.000 0.246 399 V C 2.391 178.502 176.094 0.030 0.000 1.049 399 V CA 2.437 64.705 62.300 -0.052 0.000 1.024 399 V CB -0.741 31.017 31.823 -0.109 0.000 0.648 399 V HN 0.751 nan 8.190 nan 0.000 0.447 400 E N -0.125 120.088 120.200 0.022 0.000 2.097 400 E HA -0.250 4.099 4.350 -0.001 0.000 0.196 400 E C 2.211 178.896 176.600 0.142 0.000 1.000 400 E CA 2.018 58.520 56.400 0.172 0.000 0.804 400 E CB -0.120 29.664 29.700 0.140 0.000 0.740 400 E HN 0.658 nan 8.360 nan 0.000 0.454 401 T N 0.470 115.054 114.554 0.050 0.000 2.746 401 T HA -0.117 4.232 4.350 -0.001 0.000 0.267 401 T C 1.858 176.418 174.700 -0.232 0.000 1.039 401 T CA 1.220 63.318 62.100 -0.005 0.000 1.142 401 T CB -0.291 68.638 68.868 0.103 0.000 0.866 401 T HN 0.327 nan 8.240 nan 0.000 0.444 402 A N 0.797 123.436 122.820 -0.303 0.000 1.877 402 A HA -0.120 4.199 4.320 -0.001 0.000 0.216 402 A C 2.073 179.382 177.584 -0.459 0.000 1.186 402 A CA 1.713 53.306 52.037 -0.740 0.000 0.620 402 A CB -1.186 17.676 19.000 -0.230 0.000 0.822 402 A HN 0.718 nan 8.150 nan 0.000 0.443 403 W N 0.940 122.040 121.300 -0.333 0.000 2.355 403 W HA -0.158 4.501 4.660 -0.001 0.000 0.309 403 W C 2.229 178.575 176.519 -0.288 0.000 1.206 403 W CA 1.844 59.013 57.345 -0.293 0.000 1.284 403 W CB -0.317 29.036 29.460 -0.178 0.000 1.145 403 W HN 0.239 nan 8.180 nan 0.000 0.502 404 R N -0.122 120.017 120.500 -0.602 0.000 2.127 404 R HA -0.222 4.118 4.340 -0.001 0.000 0.238 404 R C 2.143 178.137 176.300 -0.510 0.000 1.134 404 R CA 1.814 57.473 56.100 -0.735 0.000 0.975 404 R CB -0.655 29.401 30.300 -0.407 0.000 0.865 404 R HN 0.259 nan 8.270 nan 0.000 0.447 405 Q N 0.736 120.287 119.800 -0.415 0.000 2.083 405 Q HA -0.030 4.309 4.340 -0.001 0.000 0.198 405 Q C 1.954 177.790 176.000 -0.274 0.000 0.969 405 Q CA 1.776 57.437 55.803 -0.237 0.000 0.838 405 Q CB -0.172 28.479 28.738 -0.146 0.000 0.900 405 Q HN 0.303 nan 8.270 nan 0.000 0.436 406 A N 0.190 122.630 122.820 -0.634 0.000 1.908 406 A HA -0.184 4.135 4.320 -0.001 0.000 0.218 406 A C 1.960 179.259 177.584 -0.476 0.000 1.181 406 A CA 1.873 53.380 52.037 -0.883 0.000 0.627 406 A CB -0.551 17.725 19.000 -1.208 0.000 0.818 406 A HN 0.426 nan 8.150 nan 0.000 0.445 407 M N -0.888 118.400 119.600 -0.520 0.000 2.175 407 M HA -0.144 4.335 4.480 -0.001 0.000 0.264 407 M C 2.246 178.381 176.300 -0.275 0.000 1.063 407 M CA 1.824 56.876 55.300 -0.413 0.000 1.119 407 M CB -1.444 30.796 32.600 -0.601 0.000 1.377 407 M HN 0.682 nan 8.290 nan 0.000 0.415 408 Q N 0.450 120.095 119.800 -0.259 0.000 2.124 408 Q HA -0.184 4.155 4.340 -0.001 0.000 0.202 408 Q C 1.249 177.198 176.000 -0.085 0.000 0.977 408 Q CA 1.580 57.294 55.803 -0.149 0.000 0.850 408 Q CB 0.154 28.821 28.738 -0.119 0.000 0.901 408 Q HN 0.388 nan 8.270 nan 0.000 0.429 409 D N 0.314 120.675 120.400 -0.065 0.000 2.224 409 D HA 0.014 4.654 4.640 -0.001 0.000 0.205 409 D C -0.042 176.247 176.300 -0.019 0.000 0.965 409 D CA 0.817 54.819 54.000 0.004 0.000 0.852 409 D CB -0.203 40.661 40.800 0.107 0.000 0.947 409 D HN 0.329 nan 8.370 nan 0.000 0.494 410 A N 1.381 124.160 122.820 -0.067 0.000 2.450 410 A HA 0.105 4.425 4.320 -0.001 0.000 0.255 410 A C 0.310 177.868 177.584 -0.043 0.000 1.096 410 A CA -0.207 51.794 52.037 -0.060 0.000 0.778 410 A CB 0.374 19.316 19.000 -0.096 0.000 1.031 410 A HN -0.089 nan 8.150 nan 0.000 0.494 411 D N 1.399 121.782 120.400 -0.027 0.000 2.383 411 D HA 0.190 4.829 4.640 -0.001 0.000 0.248 411 D C 1.716 178.000 176.300 -0.026 0.000 1.170 411 D CA 0.833 54.820 54.000 -0.022 0.000 0.977 411 D CB 0.909 41.701 40.800 -0.013 0.000 1.120 411 D HN 0.682 nan 8.370 nan 0.000 0.481 412 T N -1.618 112.923 114.554 -0.022 0.000 2.881 412 T HA -0.205 4.144 4.350 -0.001 0.000 0.270 412 T C 1.353 176.041 174.700 -0.019 0.000 1.068 412 T CA 1.243 63.330 62.100 -0.021 0.000 1.131 412 T CB -0.090 68.769 68.868 -0.016 0.000 0.871 412 T HN 0.346 nan 8.240 nan 0.000 0.479 413 Q N 0.860 120.650 119.800 -0.016 0.000 2.451 413 Q HA 0.115 4.455 4.340 -0.001 0.000 0.206 413 Q C -0.051 175.938 176.000 -0.018 0.000 0.947 413 Q CA 0.052 55.847 55.803 -0.014 0.000 0.937 413 Q CB 0.127 28.859 28.738 -0.010 0.000 1.025 413 Q HN 0.579 nan 8.270 nan 0.000 0.511 414 D N 0.032 120.417 120.400 -0.024 0.000 2.358 414 D HA 0.174 4.814 4.640 -0.001 0.000 0.244 414 D C -0.569 175.707 176.300 -0.041 0.000 1.163 414 D CA -0.080 53.902 54.000 -0.031 0.000 0.945 414 D CB 1.360 42.139 40.800 -0.035 0.000 1.152 414 D HN -0.230 nan 8.370 nan 0.000 0.451 415 V N 1.279 121.164 119.914 -0.049 0.000 2.444 415 V HA 0.276 4.396 4.120 -0.001 0.000 0.294 415 V C -0.155 175.889 176.094 -0.084 0.000 1.022 415 V CA -0.802 61.461 62.300 -0.062 0.000 0.850 415 V CB 1.917 33.709 31.823 -0.052 0.000 0.992 415 V HN 0.217 nan 8.190 nan 0.000 0.426 416 V N 6.312 126.170 119.914 -0.094 0.000 2.370 416 V HA 0.510 4.629 4.120 -0.001 0.000 0.283 416 V C -0.352 175.681 176.094 -0.102 0.000 1.023 416 V CA -0.477 61.757 62.300 -0.109 0.000 0.857 416 V CB 1.594 33.354 31.823 -0.105 0.000 0.985 416 V HN 0.718 nan 8.190 nan 0.000 0.443 417 I N 6.183 126.687 120.570 -0.111 0.000 2.389 417 I HA 0.548 4.718 4.170 -0.001 0.000 0.288 417 I C -0.446 175.626 176.117 -0.075 0.000 0.999 417 I CA -0.104 61.130 61.300 -0.110 0.000 1.129 417 I CB 1.737 39.676 38.000 -0.102 0.000 1.288 417 I HN 0.356 nan 8.210 nan 0.000 0.444 418 V N 7.840 127.707 119.914 -0.078 0.000 2.370 418 V HA 0.587 4.707 4.120 -0.001 0.000 0.279 418 V C 0.039 176.112 176.094 -0.035 0.000 1.029 418 V CA -0.215 62.053 62.300 -0.052 0.000 0.870 418 V CB 0.543 32.293 31.823 -0.120 0.000 0.984 418 V HN 1.031 nan 8.190 nan 0.000 0.451 419 C N 1.705 121.021 119.300 0.027 0.000 3.314 419 C HA 0.995 5.454 4.460 -0.001 0.000 0.344 419 C C 1.026 176.085 174.990 0.115 0.000 1.461 419 C CA 0.112 59.165 59.018 0.059 0.000 1.249 419 C CB 1.137 28.921 27.740 0.073 0.000 1.632 419 C HN 1.528 nan 8.230 nan 0.000 0.452 420 G N 0.106 108.989 108.800 0.137 0.000 2.339 420 G HA2 0.255 4.214 3.960 -0.001 0.000 0.209 420 G HA3 0.255 4.214 3.960 -0.001 0.000 0.209 420 G C 0.060 175.077 174.900 0.194 0.000 1.015 420 G CA 0.886 46.088 45.100 0.170 0.000 0.635 420 G HN 2.449 nan 8.290 nan 0.000 0.499 421 S N -2.088 113.717 115.700 0.175 0.000 2.578 421 S HA 0.573 5.042 4.470 -0.001 0.000 0.272 421 S C 0.342 175.022 174.600 0.135 0.000 1.145 421 S CA 0.351 58.669 58.200 0.197 0.000 0.835 421 S CB 0.217 63.546 63.200 0.215 0.000 1.104 421 S HN 0.561 nan 8.310 nan 0.000 0.458 422 F N 2.053 121.965 119.950 -0.063 0.000 2.154 422 F HA -0.136 4.390 4.527 -0.001 0.000 0.301 422 F C 2.401 178.080 175.800 -0.202 0.000 1.087 422 F CA 2.090 59.985 58.000 -0.176 0.000 1.274 422 F CB -0.052 38.739 39.000 -0.349 0.000 1.009 422 F HN 0.708 nan 8.300 nan 0.000 0.485 423 H N -1.346 117.817 119.070 0.155 0.000 2.389 423 H HA -0.082 4.473 4.556 -0.001 0.000 0.299 423 H C 2.264 177.654 175.328 0.103 0.000 1.081 423 H CA 1.835 57.922 56.048 0.065 0.000 1.345 423 H CB -0.847 28.956 29.762 0.068 0.000 1.393 423 H HN 0.212 nan 8.280 nan 0.000 0.520 424 T N 0.871 115.568 114.554 0.239 0.000 2.737 424 T HA -0.083 4.267 4.350 -0.001 0.000 0.265 424 T C 2.475 177.220 174.700 0.074 0.000 1.038 424 T CA 1.171 63.389 62.100 0.196 0.000 1.144 424 T CB -0.471 68.481 68.868 0.140 0.000 0.866 424 T HN 0.060 nan 8.240 nan 0.000 0.434 425 V N 1.852 121.754 119.914 -0.020 0.000 2.287 425 V HA -0.195 3.924 4.120 -0.001 0.000 0.248 425 V C 2.929 178.948 176.094 -0.127 0.000 1.053 425 V CA 1.780 64.006 62.300 -0.123 0.000 1.027 425 V CB -1.252 30.451 31.823 -0.200 0.000 0.646 425 V HN 0.545 nan 8.190 nan 0.000 0.447 426 A N -1.256 121.509 122.820 -0.091 0.000 1.940 426 A HA -0.273 4.047 4.320 -0.001 0.000 0.219 426 A C 2.107 179.622 177.584 -0.115 0.000 1.176 426 A CA 1.857 53.834 52.037 -0.100 0.000 0.631 426 A CB -0.812 18.142 19.000 -0.077 0.000 0.814 426 A HN 0.674 nan 8.150 nan 0.000 0.446 427 H N -0.746 118.290 119.070 -0.056 0.000 2.352 427 H HA -0.101 4.454 4.556 -0.001 0.000 0.299 427 H C 2.264 177.481 175.328 -0.185 0.000 1.097 427 H CA 1.906 57.910 56.048 -0.073 0.000 1.311 427 H CB -0.284 29.462 29.762 -0.026 0.000 1.377 427 H HN 0.322 nan 8.280 nan 0.000 0.504 428 V N 0.943 120.755 119.914 -0.170 0.000 2.453 428 V HA -0.224 3.895 4.120 -0.001 0.000 0.247 428 V C 2.643 178.460 176.094 -0.462 0.000 1.048 428 V CA 1.179 63.168 62.300 -0.519 0.000 1.049 428 V CB -0.423 30.934 31.823 -0.777 0.000 0.672 428 V HN 0.306 nan 8.190 nan 0.000 0.457 429 M N 0.134 119.558 119.600 -0.293 0.000 2.108 429 M HA -0.175 4.305 4.480 -0.001 0.000 0.261 429 M C 2.391 178.573 176.300 -0.198 0.000 1.066 429 M CA 2.239 57.407 55.300 -0.220 0.000 1.107 429 M CB -0.605 31.908 32.600 -0.144 0.000 1.356 429 M HN 0.394 nan 8.290 nan 0.000 0.406 430 A N 0.333 123.047 122.820 -0.178 0.000 1.933 430 A HA -0.026 4.294 4.320 -0.001 0.000 0.218 430 A C 2.373 179.747 177.584 -0.350 0.000 1.175 430 A CA 1.835 53.756 52.037 -0.192 0.000 0.628 430 A CB -0.884 18.051 19.000 -0.107 0.000 0.814 430 A HN 0.503 nan 8.150 nan 0.000 0.444 431 A N -0.506 122.154 122.820 -0.267 0.000 1.933 431 A HA 0.029 4.348 4.320 -0.001 0.000 0.218 431 A C 1.999 179.437 177.584 -0.244 0.000 1.175 431 A CA 1.413 53.318 52.037 -0.220 0.000 0.628 431 A CB -0.466 18.495 19.000 -0.066 0.000 0.814 431 A HN 0.459 nan 8.150 nan 0.000 0.444 432 L N -1.475 119.603 121.223 -0.241 0.000 2.558 432 L HA 0.044 4.384 4.340 -0.001 0.000 0.225 432 L C 0.120 177.004 176.870 0.023 0.000 1.128 432 L CA 0.050 54.849 54.840 -0.069 0.000 0.868 432 L CB -0.430 41.565 42.059 -0.107 0.000 1.006 432 L HN 0.535 nan 8.230 nan 0.000 0.454 433 H N -0.596 118.469 119.070 -0.009 0.000 2.692 433 H HA -0.150 4.406 4.556 -0.001 0.000 0.316 433 H C 0.353 175.677 175.328 -0.006 0.000 1.176 433 H CA 0.306 56.356 56.048 0.003 0.000 1.142 433 H CB -1.897 27.877 29.762 0.019 0.000 1.475 433 H HN 0.299 nan 8.280 nan 0.000 0.423 434 L N 0.000 121.236 121.223 0.022 0.000 2.949 434 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 434 L CA 0.000 54.845 54.840 0.008 0.000 0.813 434 L CB 0.000 42.035 42.059 -0.041 0.000 0.961 434 L HN 0.000 nan 8.230 nan 0.000 0.502