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 2zcq_1_A DATA FIRST_RESID 1 DATA SEQUENCE MTMMDMNFKY CHKIMKKHSK SFSYAFDLLP EDQRKAVWAI YAVCRKIDDS DATA SEQUENCE IDVYGDIQFL NQIKEDIQSI EKYPYEYHHF QSDRRIMMAL QHVAQHKNIA DATA SEQUENCE FQSFYNLIDT VYKDQHFTMF ETDAELFGYC YGVAGTVGEV LTPILSDHET DATA SEQUENCE HQTYDVARRL GESLQLINIL RDVGEDFENE RIYFSKQRLK QYEVDIAEVY DATA SEQUENCE QNGVNNHYID LWEYYAAIAE KDFRDVMDQI KVFSIEAQPI IELAARIYIE DATA SEQUENCE ILDEVRQANY TLHERVFVEK RKKAKLFHEI NSKY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.334 176.300 0.056 0.000 1.140 1 M CA 0.000 55.332 55.300 0.053 0.000 0.988 1 M CB 0.000 32.635 32.600 0.058 0.000 1.302 2 T N 1.542 116.134 114.554 0.063 0.000 2.899 2 T HA 0.358 4.709 4.350 0.001 0.000 0.295 2 T C 1.165 175.914 174.700 0.080 0.000 1.033 2 T CA -0.606 61.535 62.100 0.068 0.000 1.084 2 T CB 0.941 69.852 68.868 0.071 0.000 0.979 2 T HN 0.849 nan 8.240 nan 0.000 0.532 3 M N 1.198 120.844 119.600 0.076 0.000 2.108 3 M HA -0.084 4.397 4.480 0.001 0.000 0.261 3 M C 2.316 178.674 176.300 0.096 0.000 1.066 3 M CA 1.673 57.020 55.300 0.078 0.000 1.107 3 M CB -0.584 32.058 32.600 0.070 0.000 1.356 3 M HN 0.675 nan 8.290 nan 0.000 0.406 4 M N 1.228 120.893 119.600 0.109 0.000 2.144 4 M HA -0.212 4.268 4.480 0.001 0.000 0.260 4 M C 1.294 177.729 176.300 0.224 0.000 1.067 4 M CA 1.901 57.274 55.300 0.123 0.000 1.095 4 M CB -0.708 31.958 32.600 0.110 0.000 1.365 4 M HN 0.158 nan 8.290 nan 0.000 0.406 5 D N -0.555 119.971 120.400 0.210 0.000 2.144 5 D HA -0.173 4.467 4.640 0.001 0.000 0.199 5 D C 2.013 178.465 176.300 0.254 0.000 0.984 5 D CA 1.597 55.754 54.000 0.262 0.000 0.834 5 D CB -0.380 40.515 40.800 0.158 0.000 0.955 5 D HN 0.469 nan 8.370 nan 0.000 0.465 6 M N 0.632 120.330 119.600 0.163 0.000 2.117 6 M HA -0.143 4.338 4.480 0.001 0.000 0.262 6 M C 1.792 178.179 176.300 0.145 0.000 1.065 6 M CA 1.045 56.422 55.300 0.128 0.000 1.114 6 M CB -0.294 32.352 32.600 0.077 0.000 1.361 6 M HN -0.058 nan 8.290 nan 0.000 0.408 7 N N 0.319 119.084 118.700 0.107 0.000 2.120 7 N HA -0.106 4.635 4.740 0.001 0.000 0.188 7 N C 1.577 177.130 175.510 0.071 0.000 1.024 7 N CA 1.449 54.532 53.050 0.054 0.000 0.852 7 N CB -0.472 37.967 38.487 -0.080 0.000 1.003 7 N HN 0.269 nan 8.380 nan 0.000 0.424 8 F N 1.649 121.709 119.950 0.184 0.000 2.186 8 F HA -0.033 4.494 4.527 0.001 0.000 0.299 8 F C 2.399 178.385 175.800 0.309 0.000 1.090 8 F CA 0.920 59.095 58.000 0.292 0.000 1.307 8 F CB -0.176 39.008 39.000 0.307 0.000 1.019 8 F HN -0.010 nan 8.300 nan 0.000 0.489 9 K N -0.795 119.823 120.400 0.365 0.000 2.147 9 K HA -0.251 4.069 4.320 0.001 0.000 0.205 9 K C 2.167 178.834 176.600 0.111 0.000 1.049 9 K CA 1.272 57.652 56.287 0.155 0.000 0.936 9 K CB -0.431 32.142 32.500 0.123 0.000 0.722 9 K HN 0.296 nan 8.250 nan 0.000 0.446 10 Y N 0.777 121.098 120.300 0.034 0.000 2.293 10 Y HA -0.216 4.334 4.550 0.001 0.000 0.291 10 Y C 1.972 177.886 175.900 0.022 0.000 1.137 10 Y CA 0.948 59.053 58.100 0.009 0.000 1.202 10 Y CB -0.522 37.944 38.460 0.011 0.000 0.990 10 Y HN 0.131 nan 8.280 nan 0.000 0.537 11 C N -0.624 118.663 119.300 -0.022 0.000 2.446 11 C HA -0.149 4.311 4.460 0.001 0.000 0.277 11 C C 2.690 177.659 174.990 -0.035 0.000 1.275 11 C CA 1.479 60.466 59.018 -0.052 0.000 1.727 11 C CB -1.563 26.280 27.740 0.171 0.000 2.010 11 C HN 0.712 nan 8.230 nan 0.000 0.486 12 H N 1.054 119.937 119.070 -0.311 0.000 2.321 12 H HA -0.166 4.390 4.556 0.001 0.000 0.300 12 H C 2.473 177.521 175.328 -0.465 0.000 1.087 12 H CA 1.470 57.020 56.048 -0.830 0.000 1.319 12 H CB -0.134 28.704 29.762 -1.541 0.000 1.379 12 H HN 0.261 nan 8.280 nan 0.000 0.501 13 K N 1.193 121.427 120.400 -0.276 0.000 2.044 13 K HA -0.178 4.143 4.320 0.001 0.000 0.210 13 K C 2.165 178.692 176.600 -0.122 0.000 1.049 13 K CA 1.880 58.033 56.287 -0.223 0.000 0.927 13 K CB -0.376 32.072 32.500 -0.088 0.000 0.713 13 K HN 0.459 nan 8.250 nan 0.000 0.443 14 I N 0.649 121.124 120.570 -0.158 0.000 2.179 14 I HA -0.286 3.884 4.170 0.001 0.000 0.242 14 I C 2.835 178.961 176.117 0.014 0.000 1.088 14 I CA 1.281 62.522 61.300 -0.098 0.000 1.357 14 I CB -0.258 37.585 38.000 -0.263 0.000 1.051 14 I HN 0.258 nan 8.210 nan 0.000 0.409 15 M N 0.693 120.244 119.600 -0.081 0.000 2.117 15 M HA -0.203 4.278 4.480 0.001 0.000 0.262 15 M C 2.349 178.554 176.300 -0.159 0.000 1.065 15 M CA 1.736 56.818 55.300 -0.364 0.000 1.114 15 M CB -0.100 32.253 32.600 -0.412 0.000 1.361 15 M HN -0.010 nan 8.290 nan 0.000 0.408 16 K N 0.480 120.843 120.400 -0.062 0.000 2.044 16 K HA -0.241 4.080 4.320 0.001 0.000 0.210 16 K C 2.035 178.641 176.600 0.010 0.000 1.049 16 K CA 1.726 57.991 56.287 -0.037 0.000 0.927 16 K CB -0.337 32.074 32.500 -0.149 0.000 0.713 16 K HN 0.229 nan 8.250 nan 0.000 0.443 17 K N 0.356 120.798 120.400 0.071 0.000 2.062 17 K HA -0.112 4.209 4.320 0.001 0.000 0.205 17 K C 1.782 178.436 176.600 0.090 0.000 1.051 17 K CA 1.597 57.936 56.287 0.087 0.000 0.941 17 K CB -0.179 32.395 32.500 0.122 0.000 0.719 17 K HN 0.221 nan 8.250 nan 0.000 0.440 18 H N -1.661 117.455 119.070 0.076 0.000 2.551 18 H HA 0.320 4.876 4.556 0.001 0.000 0.266 18 H C -0.260 175.170 175.328 0.169 0.000 0.964 18 H CA 0.437 56.580 56.048 0.158 0.000 1.180 18 H CB 0.581 30.519 29.762 0.293 0.000 1.408 18 H HN -0.029 nan 8.280 nan 0.000 0.563 19 S N 0.389 116.206 115.700 0.195 0.000 2.423 19 S HA 0.169 4.640 4.470 0.001 0.000 0.213 19 S C 0.493 175.135 174.600 0.071 0.000 1.131 19 S CA -0.681 57.609 58.200 0.151 0.000 1.155 19 S CB 0.183 63.557 63.200 0.289 0.000 1.202 19 S HN 0.028 nan 8.310 nan 0.000 0.441 20 K N 1.388 121.812 120.400 0.040 0.000 2.211 20 K HA -0.001 4.319 4.320 0.001 0.000 0.203 20 K C 1.891 178.529 176.600 0.064 0.000 1.050 20 K CA 1.232 57.544 56.287 0.042 0.000 0.945 20 K CB -0.445 32.056 32.500 0.002 0.000 0.732 20 K HN 0.570 nan 8.250 nan 0.000 0.451 21 S N 1.218 116.910 115.700 -0.013 0.000 2.335 21 S HA -0.074 4.397 4.470 0.001 0.000 0.216 21 S C 1.911 176.538 174.600 0.045 0.000 1.032 21 S CA 1.099 59.260 58.200 -0.064 0.000 1.000 21 S CB -0.495 62.562 63.200 -0.238 0.000 0.928 21 S HN 0.125 nan 8.310 nan 0.000 0.434 22 F N 2.060 122.141 119.950 0.218 0.000 2.234 22 F HA -0.009 4.518 4.527 0.001 0.000 0.299 22 F C 2.950 178.879 175.800 0.216 0.000 1.087 22 F CA 0.513 58.657 58.000 0.241 0.000 1.340 22 F CB -1.252 37.934 39.000 0.310 0.000 1.031 22 F HN 0.272 nan 8.300 nan 0.000 0.500 23 S N -0.653 115.221 115.700 0.289 0.000 2.356 23 S HA -0.291 4.179 4.470 0.001 0.000 0.223 23 S C 2.180 176.881 174.600 0.168 0.000 1.032 23 S CA 1.110 59.431 58.200 0.202 0.000 1.005 23 S CB -0.898 62.375 63.200 0.121 0.000 0.867 23 S HN 0.404 nan 8.310 nan 0.000 0.449 24 Y N 1.945 122.264 120.300 0.032 0.000 2.165 24 Y HA -0.066 4.484 4.550 0.001 0.000 0.286 24 Y C 2.475 178.308 175.900 -0.113 0.000 1.155 24 Y CA 1.427 59.498 58.100 -0.048 0.000 1.164 24 Y CB -0.863 37.555 38.460 -0.069 0.000 0.978 24 Y HN 0.391 nan 8.280 nan 0.000 0.513 25 A N -0.599 122.196 122.820 -0.042 0.000 1.835 25 A HA -0.095 4.225 4.320 0.001 0.000 0.213 25 A C 1.969 179.334 177.584 -0.366 0.000 1.210 25 A CA 1.461 53.337 52.037 -0.268 0.000 0.605 25 A CB -1.380 17.397 19.000 -0.372 0.000 0.860 25 A HN 0.414 nan 8.150 nan 0.000 0.447 26 F N 1.101 121.064 119.950 0.021 0.000 2.269 26 F HA -0.132 4.396 4.527 0.001 0.000 0.301 26 F C 1.595 177.365 175.800 -0.050 0.000 1.082 26 F CA 1.366 59.352 58.000 -0.025 0.000 1.360 26 F CB -0.517 38.482 39.000 -0.003 0.000 1.041 26 F HN 0.212 nan 8.300 nan 0.000 0.512 27 D N 0.041 120.504 120.400 0.104 0.000 2.384 27 D HA -0.088 4.552 4.640 0.001 0.000 0.222 27 D C 2.080 178.359 176.300 -0.036 0.000 0.976 27 D CA 0.741 54.789 54.000 0.080 0.000 0.915 27 D CB -0.314 40.536 40.800 0.084 0.000 0.896 27 D HN 0.288 nan 8.370 nan 0.000 0.523 28 L N -0.276 120.880 121.223 -0.111 0.000 2.492 28 L HA 0.067 4.408 4.340 0.001 0.000 0.223 28 L C 0.854 177.683 176.870 -0.068 0.000 1.132 28 L CA 0.021 54.787 54.840 -0.123 0.000 0.850 28 L CB -0.050 41.901 42.059 -0.180 0.000 0.966 28 L HN -0.073 nan 8.230 nan 0.000 0.454 29 L N 0.518 121.707 121.223 -0.057 0.000 2.464 29 L HA 0.192 4.533 4.340 0.001 0.000 0.264 29 L C -1.792 175.023 176.870 -0.092 0.000 1.199 29 L CA -1.851 52.954 54.840 -0.059 0.000 0.818 29 L CB -0.205 41.828 42.059 -0.043 0.000 1.102 29 L HN -0.177 nan 8.230 nan 0.000 0.473 30 P HA -0.012 nan 4.420 nan 0.000 0.269 30 P C 0.213 177.409 177.300 -0.173 0.000 1.215 30 P CA -0.173 62.866 63.100 -0.102 0.000 0.780 30 P CB 0.770 32.423 31.700 -0.079 0.000 0.898 31 E N 1.768 121.863 120.200 -0.176 0.000 2.110 31 E HA -0.294 4.056 4.350 0.001 0.000 0.225 31 E C 1.315 177.693 176.600 -0.370 0.000 1.063 31 E CA 2.325 58.570 56.400 -0.257 0.000 0.906 31 E CB -0.733 28.858 29.700 -0.183 0.000 0.795 31 E HN 0.425 nan 8.360 nan 0.000 0.479 32 D N -0.327 119.899 120.400 -0.289 0.000 2.133 32 D HA -0.192 4.448 4.640 0.001 0.000 0.195 32 D C 2.108 178.204 176.300 -0.339 0.000 0.997 32 D CA 1.422 55.234 54.000 -0.314 0.000 0.840 32 D CB -0.311 40.369 40.800 -0.199 0.000 0.947 32 D HN 0.441 nan 8.370 nan 0.000 0.452 33 Q N -0.112 119.519 119.800 -0.282 0.000 2.083 33 Q HA -0.083 4.257 4.340 0.001 0.000 0.198 33 Q C 2.304 178.081 176.000 -0.371 0.000 0.969 33 Q CA 0.961 56.606 55.803 -0.262 0.000 0.838 33 Q CB -0.037 28.600 28.738 -0.169 0.000 0.900 33 Q HN 0.391 nan 8.270 nan 0.000 0.436 34 R N 0.833 121.034 120.500 -0.498 0.000 2.090 34 R HA -0.012 4.329 4.340 0.001 0.000 0.228 34 R C 1.888 177.415 176.300 -1.289 0.000 1.110 34 R CA 0.885 56.536 56.100 -0.748 0.000 0.973 34 R CB -0.254 29.635 30.300 -0.684 0.000 0.869 34 R HN -0.011 nan 8.270 nan 0.000 0.440 35 K N 1.165 120.805 120.400 -1.267 0.000 2.044 35 K HA -0.143 4.178 4.320 0.001 0.000 0.210 35 K C 2.357 178.732 176.600 -0.376 0.000 1.049 35 K CA 1.786 57.406 56.287 -1.111 0.000 0.927 35 K CB -0.357 31.389 32.500 -1.258 0.000 0.713 35 K HN 0.326 nan 8.250 nan 0.000 0.443 36 A N 1.179 123.805 122.820 -0.324 0.000 1.908 36 A HA -0.134 4.186 4.320 0.001 0.000 0.218 36 A C 2.452 179.980 177.584 -0.094 0.000 1.181 36 A CA 1.618 53.600 52.037 -0.091 0.000 0.627 36 A CB -0.689 18.230 19.000 -0.135 0.000 0.818 36 A HN 0.093 nan 8.150 nan 0.000 0.445 37 V N -1.550 118.221 119.914 -0.240 0.000 2.343 37 V HA -0.254 3.866 4.120 0.001 0.000 0.247 37 V C 2.417 178.523 176.094 0.020 0.000 1.051 37 V CA 1.617 63.785 62.300 -0.220 0.000 1.036 37 V CB -1.005 30.585 31.823 -0.388 0.000 0.654 37 V HN 0.759 nan 8.190 nan 0.000 0.451 38 W N 0.428 121.727 121.300 -0.003 0.000 2.333 38 W HA -0.183 4.478 4.660 0.001 0.000 0.316 38 W C 2.778 179.357 176.519 0.100 0.000 1.215 38 W CA 1.547 58.926 57.345 0.058 0.000 1.278 38 W CB -1.681 27.832 29.460 0.089 0.000 1.154 38 W HN 0.295 nan 8.180 nan 0.000 0.486 39 A N 0.318 123.339 122.820 0.335 0.000 1.865 39 A HA -0.191 4.129 4.320 0.001 0.000 0.217 39 A C 2.076 179.707 177.584 0.078 0.000 1.191 39 A CA 2.229 54.355 52.037 0.148 0.000 0.623 39 A CB -1.115 17.959 19.000 0.122 0.000 0.826 39 A HN 0.237 nan 8.150 nan 0.000 0.444 40 I N -2.040 118.588 120.570 0.097 0.000 2.361 40 I HA -0.247 3.923 4.170 0.001 0.000 0.251 40 I C 2.461 178.618 176.117 0.067 0.000 1.133 40 I CA 1.654 63.022 61.300 0.113 0.000 1.413 40 I CB -0.358 37.667 38.000 0.042 0.000 1.073 40 I HN 0.568 nan 8.210 nan 0.000 0.424 41 Y N 1.743 122.029 120.300 -0.024 0.000 2.163 41 Y HA -0.218 4.333 4.550 0.001 0.000 0.288 41 Y C 2.552 178.424 175.900 -0.048 0.000 1.136 41 Y CA 1.331 59.406 58.100 -0.042 0.000 1.147 41 Y CB -0.460 37.993 38.460 -0.010 0.000 0.987 41 Y HN 0.086 nan 8.280 nan 0.000 0.509 42 A N -0.174 122.719 122.820 0.122 0.000 1.892 42 A HA -0.216 4.104 4.320 0.001 0.000 0.218 42 A C 2.367 179.851 177.584 -0.166 0.000 1.188 42 A CA 2.370 54.388 52.037 -0.032 0.000 0.631 42 A CB -1.479 17.489 19.000 -0.053 0.000 0.822 42 A HN 0.375 nan 8.150 nan 0.000 0.447 43 V N -0.609 119.208 119.914 -0.161 0.000 2.252 43 V HA -0.380 3.740 4.120 0.001 0.000 0.249 43 V C 2.720 178.690 176.094 -0.207 0.000 1.056 43 V CA 2.304 64.459 62.300 -0.241 0.000 1.022 43 V CB -1.122 30.459 31.823 -0.403 0.000 0.641 43 V HN 0.742 nan 8.190 nan 0.000 0.445 44 C N -0.469 118.732 119.300 -0.166 0.000 2.425 44 C HA -0.122 4.338 4.460 0.001 0.000 0.277 44 C C 2.884 177.714 174.990 -0.267 0.000 1.280 44 C CA 1.065 59.976 59.018 -0.179 0.000 1.744 44 C CB -1.142 26.465 27.740 -0.221 0.000 1.989 44 C HN 0.546 nan 8.230 nan 0.000 0.491 45 R N 1.775 122.024 120.500 -0.419 0.000 2.081 45 R HA -0.068 4.272 4.340 0.001 0.000 0.235 45 R C 2.127 178.327 176.300 -0.166 0.000 1.131 45 R CA 1.579 57.462 56.100 -0.361 0.000 0.960 45 R CB -0.539 29.482 30.300 -0.465 0.000 0.856 45 R HN 0.348 nan 8.270 nan 0.000 0.436 46 K N 0.230 120.558 120.400 -0.120 0.000 2.057 46 K HA -0.080 4.240 4.320 0.001 0.000 0.207 46 K C 2.179 178.791 176.600 0.019 0.000 1.049 46 K CA 1.537 57.838 56.287 0.024 0.000 0.931 46 K CB -0.427 32.086 32.500 0.020 0.000 0.714 46 K HN 0.259 nan 8.250 nan 0.000 0.440 47 I N 1.103 121.633 120.570 -0.067 0.000 2.099 47 I HA -0.321 3.849 4.170 0.001 0.000 0.239 47 I C 2.281 178.386 176.117 -0.020 0.000 1.066 47 I CA 1.730 63.003 61.300 -0.045 0.000 1.324 47 I CB -0.359 37.608 38.000 -0.055 0.000 1.037 47 I HN 0.171 nan 8.210 nan 0.000 0.401 48 D N 0.766 121.135 120.400 -0.051 0.000 2.116 48 D HA -0.249 4.391 4.640 0.001 0.000 0.193 48 D C 1.672 177.936 176.300 -0.061 0.000 0.998 48 D CA 1.750 55.726 54.000 -0.040 0.000 0.836 48 D CB -0.046 40.720 40.800 -0.056 0.000 0.951 48 D HN 0.232 nan 8.370 nan 0.000 0.449 49 D N -1.057 119.277 120.400 -0.109 0.000 2.277 49 D HA -0.059 4.581 4.640 0.001 0.000 0.208 49 D C 1.789 177.834 176.300 -0.426 0.000 0.962 49 D CA 0.758 54.579 54.000 -0.298 0.000 0.865 49 D CB -0.341 40.272 40.800 -0.312 0.000 0.939 49 D HN 0.223 nan 8.370 nan 0.000 0.510 50 S N -0.432 115.231 115.700 -0.061 0.000 2.595 50 S HA -0.039 4.432 4.470 0.001 0.000 0.235 50 S C 1.291 175.933 174.600 0.071 0.000 0.974 50 S CA 0.443 58.743 58.200 0.167 0.000 0.942 50 S CB -0.006 63.457 63.200 0.440 0.000 0.766 50 S HN 0.092 nan 8.310 nan 0.000 0.536 51 I N 0.160 120.712 120.570 -0.029 0.000 4.922 51 I HA 0.245 4.416 4.170 0.001 0.000 0.331 51 I C 0.331 176.434 176.117 -0.024 0.000 1.260 51 I CA 0.367 61.664 61.300 -0.005 0.000 1.366 51 I CB -0.218 37.794 38.000 0.020 0.000 1.386 51 I HN 0.145 nan 8.210 nan 0.000 0.483 52 D N 0.292 120.654 120.400 -0.063 0.000 2.339 52 D HA 0.072 4.713 4.640 0.001 0.000 0.217 52 D C 1.744 177.992 176.300 -0.086 0.000 1.050 52 D CA 0.669 54.644 54.000 -0.043 0.000 0.856 52 D CB 1.382 42.177 40.800 -0.008 0.000 0.922 52 D HN 0.169 nan 8.370 nan 0.000 0.518 53 V N -1.556 118.252 119.914 -0.177 0.000 3.110 53 V HA 0.113 4.234 4.120 0.001 0.000 0.233 53 V C -0.218 175.906 176.094 0.052 0.000 1.550 53 V CA -0.025 62.195 62.300 -0.133 0.000 1.186 53 V CB 0.002 31.689 31.823 -0.227 0.000 1.052 53 V HN 0.130 nan 8.190 nan 0.000 0.452 54 Y N 1.480 121.792 120.300 0.019 0.000 2.607 54 Y HA 0.535 5.085 4.550 0.001 0.000 0.266 54 Y C 1.663 177.564 175.900 0.003 0.000 1.178 54 Y CA -0.241 57.856 58.100 -0.005 0.000 1.226 54 Y CB 0.096 38.535 38.460 -0.034 0.000 1.144 54 Y HN 0.342 nan 8.280 nan 0.000 0.528 55 G N 2.669 111.523 108.800 0.089 0.000 2.465 55 G HA2 -0.254 3.707 3.960 0.001 0.000 0.310 55 G HA3 -0.254 3.707 3.960 0.001 0.000 0.310 55 G C -0.629 174.311 174.900 0.067 0.000 0.299 55 G CA 0.950 46.084 45.100 0.056 0.000 1.113 55 G HN 0.482 nan 8.290 nan 0.000 0.469 56 D N 1.478 121.927 120.400 0.081 0.000 2.375 56 D HA 0.185 4.825 4.640 0.001 0.000 0.241 56 D C 1.143 177.490 176.300 0.077 0.000 1.361 56 D CA -0.760 53.290 54.000 0.082 0.000 0.995 56 D CB 0.410 41.276 40.800 0.110 0.000 1.312 56 D HN 0.266 nan 8.370 nan 0.000 0.576 57 I N 1.886 122.451 120.570 -0.008 0.000 2.830 57 I HA -0.022 4.149 4.170 0.001 0.000 0.263 57 I C 1.786 177.912 176.117 0.015 0.000 1.230 57 I CA 1.055 62.306 61.300 -0.082 0.000 1.480 57 I CB -0.144 37.704 38.000 -0.254 0.000 1.095 57 I HN 0.447 nan 8.210 nan 0.000 0.455 58 Q N 0.265 120.109 119.800 0.073 0.000 2.050 58 Q HA -0.234 4.107 4.340 0.001 0.000 0.202 58 Q C 2.145 178.248 176.000 0.172 0.000 0.980 58 Q CA 1.936 57.802 55.803 0.105 0.000 0.840 58 Q CB -0.341 28.460 28.738 0.104 0.000 0.898 58 Q HN 0.568 nan 8.270 nan 0.000 0.424 59 F N 1.182 121.148 119.950 0.027 0.000 2.069 59 F HA -0.240 4.288 4.527 0.001 0.000 0.298 59 F C 1.995 177.815 175.800 0.034 0.000 1.113 59 F CA 1.221 59.246 58.000 0.041 0.000 1.214 59 F CB -0.755 38.283 39.000 0.063 0.000 0.978 59 F HN 0.207 nan 8.300 nan 0.000 0.474 60 L N 0.999 122.279 121.223 0.094 0.000 2.197 60 L HA -0.286 4.054 4.340 0.001 0.000 0.215 60 L C 1.933 178.787 176.870 -0.027 0.000 1.095 60 L CA 1.877 56.704 54.840 -0.021 0.000 0.764 60 L CB -1.063 40.999 42.059 0.004 0.000 0.897 60 L HN 0.175 nan 8.230 nan 0.000 0.436 61 N N -1.154 117.553 118.700 0.012 0.000 2.333 61 N HA -0.101 4.639 4.740 0.001 0.000 0.178 61 N C 1.694 177.199 175.510 -0.008 0.000 1.018 61 N CA 0.904 53.971 53.050 0.029 0.000 0.882 61 N CB -0.086 38.435 38.487 0.057 0.000 0.984 61 N HN 0.577 nan 8.380 nan 0.000 0.434 62 Q N 0.767 120.544 119.800 -0.038 0.000 2.050 62 Q HA -0.027 4.313 4.340 0.001 0.000 0.202 62 Q C 2.121 178.036 176.000 -0.142 0.000 0.980 62 Q CA 1.032 56.798 55.803 -0.061 0.000 0.840 62 Q CB -0.087 28.628 28.738 -0.039 0.000 0.898 62 Q HN 0.382 nan 8.270 nan 0.000 0.424 63 I N 0.844 121.239 120.570 -0.291 0.000 2.142 63 I HA -0.276 3.894 4.170 0.001 0.000 0.240 63 I C 2.545 178.580 176.117 -0.135 0.000 1.078 63 I CA 1.134 62.262 61.300 -0.287 0.000 1.343 63 I CB -0.345 37.429 38.000 -0.377 0.000 1.046 63 I HN 0.148 nan 8.210 nan 0.000 0.405 64 K N 1.104 121.468 120.400 -0.059 0.000 2.160 64 K HA -0.230 4.090 4.320 0.001 0.000 0.206 64 K C 1.930 178.561 176.600 0.051 0.000 1.047 64 K CA 1.613 57.928 56.287 0.047 0.000 0.930 64 K CB 0.043 32.589 32.500 0.077 0.000 0.720 64 K HN 0.395 nan 8.250 nan 0.000 0.450 65 E N 0.325 120.532 120.200 0.011 0.000 2.028 65 E HA -0.158 4.192 4.350 0.001 0.000 0.190 65 E C 1.768 178.382 176.600 0.023 0.000 0.984 65 E CA 1.115 57.523 56.400 0.015 0.000 0.800 65 E CB -0.111 29.601 29.700 0.019 0.000 0.758 65 E HN 0.349 nan 8.360 nan 0.000 0.448 66 D N 1.107 121.529 120.400 0.037 0.000 2.133 66 D HA -0.198 4.443 4.640 0.001 0.000 0.192 66 D C 2.034 178.345 176.300 0.018 0.000 1.001 66 D CA 1.103 55.178 54.000 0.125 0.000 0.844 66 D CB -0.317 40.504 40.800 0.034 0.000 0.944 66 D HN 0.196 nan 8.370 nan 0.000 0.447 67 I N 0.649 121.198 120.570 -0.036 0.000 2.202 67 I HA -0.271 3.899 4.170 0.001 0.000 0.242 67 I C 2.549 178.702 176.117 0.061 0.000 1.091 67 I CA 1.023 62.330 61.300 0.012 0.000 1.368 67 I CB -0.282 37.726 38.000 0.013 0.000 1.058 67 I HN -0.005 nan 8.210 nan 0.000 0.410 68 Q N -0.007 119.852 119.800 0.098 0.000 2.096 68 Q HA -0.214 4.126 4.340 0.001 0.000 0.204 68 Q C 2.439 178.356 176.000 -0.138 0.000 0.982 68 Q CA 1.828 57.638 55.803 0.012 0.000 0.850 68 Q CB -0.213 28.506 28.738 -0.032 0.000 0.901 68 Q HN 0.367 nan 8.270 nan 0.000 0.422 69 S N 0.453 116.084 115.700 -0.115 0.000 2.365 69 S HA -0.170 4.300 4.470 0.001 0.000 0.225 69 S C 1.866 176.288 174.600 -0.298 0.000 1.039 69 S CA 1.090 59.152 58.200 -0.230 0.000 1.033 69 S CB -0.204 62.807 63.200 -0.315 0.000 0.887 69 S HN 0.282 nan 8.310 nan 0.000 0.447 70 I N 0.971 121.447 120.570 -0.155 0.000 2.142 70 I HA -0.183 3.987 4.170 0.001 0.000 0.240 70 I C 2.650 178.658 176.117 -0.182 0.000 1.078 70 I CA 1.631 62.934 61.300 0.005 0.000 1.343 70 I CB -0.466 37.608 38.000 0.122 0.000 1.046 70 I HN 0.459 nan 8.210 nan 0.000 0.405 71 E N 1.345 121.189 120.200 -0.594 0.000 2.085 71 E HA -0.330 4.021 4.350 0.001 0.000 0.194 71 E C 2.122 178.404 176.600 -0.530 0.000 0.994 71 E CA 1.681 57.415 56.400 -1.109 0.000 0.801 71 E CB 0.062 28.860 29.700 -1.504 0.000 0.743 71 E HN 0.157 nan 8.360 nan 0.000 0.453 72 K N -0.314 119.810 120.400 -0.461 0.000 2.025 72 K HA -0.114 4.206 4.320 0.001 0.000 0.207 72 K C -0.044 176.167 176.600 -0.649 0.000 1.049 72 K CA 1.264 57.184 56.287 -0.612 0.000 0.933 72 K CB 0.004 32.027 32.500 -0.794 0.000 0.714 72 K HN 0.184 nan 8.250 nan 0.000 0.438 73 Y N 0.189 120.514 120.300 0.041 0.000 2.511 73 Y HA 0.291 4.841 4.550 0.001 0.000 0.356 73 Y C -2.052 173.964 175.900 0.193 0.000 1.002 73 Y CA -2.654 55.538 58.100 0.152 0.000 1.127 73 Y CB 1.243 39.854 38.460 0.252 0.000 1.137 73 Y HN 0.099 nan 8.280 nan 0.000 0.652 74 P HA -0.225 nan 4.420 nan 0.000 0.218 74 P C 0.094 177.243 177.300 -0.252 0.000 1.146 74 P CA 1.790 64.851 63.100 -0.065 0.000 0.820 74 P CB 0.175 31.745 31.700 -0.216 0.000 0.778 75 Y N -0.371 120.022 120.300 0.154 0.000 2.781 75 Y HA 0.351 4.901 4.550 0.001 0.000 0.326 75 Y C 0.742 176.660 175.900 0.030 0.000 1.019 75 Y CA -0.399 57.752 58.100 0.084 0.000 1.372 75 Y CB 0.211 38.708 38.460 0.063 0.000 1.260 75 Y HN -0.133 nan 8.280 nan 0.000 0.546 76 E N -0.270 119.944 120.200 0.024 0.000 2.340 76 E HA 0.155 4.505 4.350 0.001 0.000 0.273 76 E C -1.578 174.751 176.600 -0.452 0.000 0.891 76 E CA -1.224 55.089 56.400 -0.146 0.000 0.757 76 E CB 2.455 32.055 29.700 -0.167 0.000 1.231 76 E HN 0.232 nan 8.360 nan 0.000 0.439 77 Y N 2.849 122.917 120.300 -0.387 0.000 2.359 77 Y HA 0.118 4.668 4.550 0.001 0.000 0.330 77 Y C -0.224 175.303 175.900 -0.622 0.000 1.143 77 Y CA 0.385 58.234 58.100 -0.420 0.000 1.318 77 Y CB 0.457 38.777 38.460 -0.234 0.000 1.234 77 Y HN 0.363 nan 8.280 nan 0.000 0.522 78 H N 4.356 122.786 119.070 -1.068 0.000 2.679 78 H HA 0.263 4.819 4.556 0.001 0.000 0.367 78 H C -1.005 173.495 175.328 -1.381 0.000 1.162 78 H CA -0.907 54.519 56.048 -1.035 0.000 1.181 78 H CB 1.336 30.268 29.762 -1.384 0.000 1.693 78 H HN 0.699 nan 8.280 nan 0.000 0.538 79 H N 1.898 120.669 119.070 -0.498 0.000 2.702 79 H HA 0.167 4.723 4.556 0.001 0.000 0.252 79 H C -0.334 174.858 175.328 -0.227 0.000 1.493 79 H CA -0.393 55.497 56.048 -0.264 0.000 1.273 79 H CB -0.836 28.911 29.762 -0.025 0.000 1.537 79 H HN 0.262 nan 8.280 nan 0.000 0.547 80 F N 1.128 121.075 119.950 -0.004 0.000 2.607 80 F HA -0.058 4.469 4.527 0.001 0.000 0.374 80 F C 1.762 177.580 175.800 0.030 0.000 1.104 80 F CA 0.235 58.231 58.000 -0.007 0.000 1.296 80 F CB 0.746 39.714 39.000 -0.053 0.000 1.085 80 F HN 0.531 nan 8.300 nan 0.000 0.584 81 Q N 1.390 121.308 119.800 0.196 0.000 2.230 81 Q HA -0.088 4.252 4.340 0.001 0.000 0.202 81 Q C 1.848 177.941 176.000 0.154 0.000 0.963 81 Q CA 1.402 57.290 55.803 0.143 0.000 0.866 81 Q CB -0.042 28.756 28.738 0.100 0.000 0.931 81 Q HN 0.836 nan 8.270 nan 0.000 0.452 82 S N 0.323 116.078 115.700 0.092 0.000 2.460 82 S HA -0.006 4.464 4.470 0.001 0.000 0.185 82 S C 0.604 175.353 174.600 0.249 0.000 0.908 82 S CA 0.219 58.468 58.200 0.081 0.000 0.894 82 S CB 0.113 63.017 63.200 -0.495 0.000 0.855 82 S HN 0.142 nan 8.310 nan 0.000 0.574 83 D N 0.343 120.817 120.400 0.124 0.000 2.363 83 D HA 0.327 4.967 4.640 0.001 0.000 0.258 83 D C 0.812 177.170 176.300 0.097 0.000 1.259 83 D CA -0.501 53.604 54.000 0.174 0.000 0.921 83 D CB 1.070 42.023 40.800 0.255 0.000 1.201 83 D HN 0.342 nan 8.370 nan 0.000 0.524 84 R N 2.865 123.444 120.500 0.130 0.000 2.159 84 R HA -0.249 4.091 4.340 0.001 0.000 0.252 84 R C 1.546 177.892 176.300 0.076 0.000 1.144 84 R CA 1.764 57.959 56.100 0.158 0.000 0.961 84 R CB 0.175 30.563 30.300 0.147 0.000 0.877 84 R HN 0.343 nan 8.270 nan 0.000 0.444 85 R N 0.068 120.603 120.500 0.059 0.000 2.088 85 R HA -0.127 4.213 4.340 0.001 0.000 0.232 85 R C 2.498 178.809 176.300 0.019 0.000 1.136 85 R CA 2.144 58.281 56.100 0.062 0.000 0.926 85 R CB -0.578 29.781 30.300 0.098 0.000 0.837 85 R HN 0.294 nan 8.270 nan 0.000 0.429 86 I N 0.680 121.292 120.570 0.069 0.000 2.145 86 I HA -0.351 3.819 4.170 0.001 0.000 0.244 86 I C 2.432 178.399 176.117 -0.251 0.000 1.075 86 I CA 1.288 62.538 61.300 -0.083 0.000 1.332 86 I CB -0.291 37.665 38.000 -0.074 0.000 1.033 86 I HN 0.209 nan 8.210 nan 0.000 0.410 87 M N -0.591 118.783 119.600 -0.375 0.000 2.175 87 M HA -0.166 4.315 4.480 0.001 0.000 0.264 87 M C 2.360 178.314 176.300 -0.576 0.000 1.063 87 M CA 1.694 56.546 55.300 -0.747 0.000 1.119 87 M CB -0.894 30.745 32.600 -1.601 0.000 1.377 87 M HN 0.278 nan 8.290 nan 0.000 0.415 88 M N -0.314 119.121 119.600 -0.275 0.000 2.117 88 M HA -0.111 4.369 4.480 0.001 0.000 0.262 88 M C 2.360 178.590 176.300 -0.116 0.000 1.065 88 M CA 1.722 56.999 55.300 -0.038 0.000 1.114 88 M CB -1.132 31.493 32.600 0.042 0.000 1.361 88 M HN 0.298 nan 8.290 nan 0.000 0.408 89 A N 0.241 122.875 122.820 -0.310 0.000 1.877 89 A HA -0.169 4.151 4.320 0.001 0.000 0.216 89 A C 2.168 179.609 177.584 -0.239 0.000 1.186 89 A CA 1.348 52.998 52.037 -0.644 0.000 0.620 89 A CB -0.909 17.543 19.000 -0.914 0.000 0.822 89 A HN 0.408 nan 8.150 nan 0.000 0.443 90 L N -0.084 121.021 121.223 -0.197 0.000 2.017 90 L HA -0.220 4.120 4.340 0.001 0.000 0.208 90 L C 2.652 179.515 176.870 -0.011 0.000 1.073 90 L CA 2.729 57.505 54.840 -0.107 0.000 0.745 90 L CB -0.748 41.170 42.059 -0.235 0.000 0.894 90 L HN 0.637 nan 8.230 nan 0.000 0.432 91 Q N -1.684 118.099 119.800 -0.029 0.000 2.135 91 Q HA -0.305 4.036 4.340 0.001 0.000 0.204 91 Q C 2.353 178.418 176.000 0.109 0.000 0.981 91 Q CA 1.884 57.730 55.803 0.072 0.000 0.856 91 Q CB -0.423 28.407 28.738 0.152 0.000 0.902 91 Q HN 0.712 nan 8.270 nan 0.000 0.425 92 H N -0.277 118.845 119.070 0.086 0.000 2.321 92 H HA -0.095 4.461 4.556 0.001 0.000 0.300 92 H C 1.999 177.485 175.328 0.263 0.000 1.087 92 H CA 1.791 57.962 56.048 0.204 0.000 1.319 92 H CB -0.005 29.911 29.762 0.255 0.000 1.379 92 H HN 0.224 nan 8.280 nan 0.000 0.501 93 V N 1.500 121.628 119.914 0.358 0.000 2.287 93 V HA -0.284 3.836 4.120 0.001 0.000 0.248 93 V C 3.042 179.231 176.094 0.158 0.000 1.053 93 V CA 1.758 64.207 62.300 0.247 0.000 1.027 93 V CB -1.241 30.697 31.823 0.191 0.000 0.646 93 V HN 0.592 nan 8.190 nan 0.000 0.447 94 A N -0.790 122.100 122.820 0.116 0.000 2.070 94 A HA -0.231 4.090 4.320 0.001 0.000 0.220 94 A C 2.009 179.629 177.584 0.061 0.000 1.159 94 A CA 1.386 53.483 52.037 0.100 0.000 0.656 94 A CB -0.429 18.675 19.000 0.174 0.000 0.800 94 A HN 0.695 nan 8.150 nan 0.000 0.453 95 Q N -1.220 118.586 119.800 0.010 0.000 2.415 95 Q HA 0.036 4.377 4.340 0.001 0.000 0.206 95 Q C 0.690 176.615 176.000 -0.125 0.000 0.946 95 Q CA 0.561 56.292 55.803 -0.120 0.000 0.951 95 Q CB 0.024 28.604 28.738 -0.264 0.000 1.026 95 Q HN 0.849 nan 8.270 nan 0.000 0.510 96 H N -1.384 117.680 119.070 -0.011 0.000 3.207 96 H HA 0.251 4.808 4.556 0.001 0.000 0.237 96 H C 0.133 175.471 175.328 0.016 0.000 0.959 96 H CA -0.073 55.980 56.048 0.008 0.000 1.091 96 H CB 1.169 30.923 29.762 -0.014 0.000 1.447 96 H HN -0.096 nan 8.280 nan 0.000 0.477 97 K N 1.966 122.454 120.400 0.147 0.000 2.267 97 K HA 0.290 4.610 4.320 0.001 0.000 0.246 97 K C -0.550 176.083 176.600 0.055 0.000 0.954 97 K CA -0.860 55.471 56.287 0.073 0.000 0.824 97 K CB 2.049 34.571 32.500 0.036 0.000 1.167 97 K HN 0.026 nan 8.250 nan 0.000 0.431 98 N N 1.068 119.793 118.700 0.041 0.000 2.497 98 N HA 0.268 5.009 4.740 0.001 0.000 0.271 98 N C -0.542 174.964 175.510 -0.008 0.000 1.142 98 N CA 0.147 53.226 53.050 0.048 0.000 0.965 98 N CB 0.414 38.940 38.487 0.065 0.000 1.077 98 N HN 0.338 nan 8.380 nan 0.000 0.462 99 I N 0.901 121.443 120.570 -0.048 0.000 2.465 99 I HA 0.398 4.569 4.170 0.001 0.000 0.291 99 I C -0.281 175.669 176.117 -0.279 0.000 1.014 99 I CA -1.101 60.043 61.300 -0.260 0.000 1.093 99 I CB 1.868 39.566 38.000 -0.503 0.000 1.267 99 I HN 0.474 nan 8.210 nan 0.000 0.431 100 A N 5.862 128.506 122.820 -0.292 0.000 2.807 100 A HA 0.329 4.649 4.320 0.001 0.000 0.307 100 A C 0.543 177.947 177.584 -0.300 0.000 1.532 100 A CA -0.157 51.765 52.037 -0.193 0.000 1.215 100 A CB -0.620 18.284 19.000 -0.161 0.000 1.127 100 A HN 0.726 nan 8.150 nan 0.000 0.543 101 F N 0.897 120.783 119.950 -0.108 0.000 2.126 101 F HA -0.219 4.309 4.527 0.001 0.000 0.299 101 F C 2.543 178.028 175.800 -0.524 0.000 1.096 101 F CA 2.099 59.947 58.000 -0.253 0.000 1.255 101 F CB -0.158 38.756 39.000 -0.144 0.000 0.997 101 F HN 0.624 nan 8.300 nan 0.000 0.479 102 Q N 0.378 120.200 119.800 0.037 0.000 2.248 102 Q HA -0.172 4.168 4.340 0.001 0.000 0.208 102 Q C 2.043 178.046 176.000 0.006 0.000 0.984 102 Q CA 2.015 57.921 55.803 0.173 0.000 0.875 102 Q CB -0.533 28.315 28.738 0.184 0.000 0.910 102 Q HN 0.257 nan 8.270 nan 0.000 0.433 103 S N -0.714 114.894 115.700 -0.154 0.000 2.383 103 S HA -0.034 4.437 4.470 0.001 0.000 0.227 103 S C 1.284 175.729 174.600 -0.258 0.000 1.026 103 S CA 0.899 58.967 58.200 -0.221 0.000 0.981 103 S CB -0.315 62.683 63.200 -0.338 0.000 0.818 103 S HN 0.433 nan 8.310 nan 0.000 0.472 104 F N 0.651 120.406 119.950 -0.325 0.000 2.186 104 F HA -0.022 4.505 4.527 0.001 0.000 0.299 104 F C 1.959 177.658 175.800 -0.168 0.000 1.090 104 F CA 0.566 58.387 58.000 -0.299 0.000 1.307 104 F CB -0.799 37.973 39.000 -0.381 0.000 1.019 104 F HN 0.216 nan 8.300 nan 0.000 0.489 105 Y N 0.100 120.513 120.300 0.187 0.000 2.224 105 Y HA -0.196 4.355 4.550 0.001 0.000 0.289 105 Y C 2.254 178.198 175.900 0.074 0.000 1.146 105 Y CA 0.761 58.932 58.100 0.119 0.000 1.182 105 Y CB -1.435 37.090 38.460 0.108 0.000 0.983 105 Y HN 0.060 nan 8.280 nan 0.000 0.524 106 N N -0.009 118.794 118.700 0.171 0.000 2.142 106 N HA -0.128 4.612 4.740 0.001 0.000 0.186 106 N C 1.980 177.511 175.510 0.035 0.000 1.023 106 N CA 0.920 54.033 53.050 0.104 0.000 0.852 106 N CB -0.736 37.800 38.487 0.082 0.000 0.998 106 N HN 0.314 nan 8.380 nan 0.000 0.424 107 L N 1.278 122.491 121.223 -0.017 0.000 2.017 107 L HA -0.028 4.313 4.340 0.001 0.000 0.208 107 L C 1.974 178.867 176.870 0.038 0.000 1.073 107 L CA 1.324 56.135 54.840 -0.048 0.000 0.745 107 L CB -0.565 41.460 42.059 -0.057 0.000 0.894 107 L HN 0.082 nan 8.230 nan 0.000 0.432 108 I N -0.204 120.428 120.570 0.104 0.000 2.099 108 I HA -0.329 3.842 4.170 0.001 0.000 0.239 108 I C 2.152 178.378 176.117 0.183 0.000 1.066 108 I CA 1.674 63.061 61.300 0.145 0.000 1.324 108 I CB -0.653 37.461 38.000 0.190 0.000 1.037 108 I HN 0.335 nan 8.210 nan 0.000 0.401 109 D N 0.427 120.926 120.400 0.165 0.000 2.149 109 D HA -0.186 4.454 4.640 0.001 0.000 0.194 109 D C 2.114 178.502 176.300 0.148 0.000 1.001 109 D CA 1.883 55.962 54.000 0.131 0.000 0.849 109 D CB -0.526 40.326 40.800 0.087 0.000 0.939 109 D HN 0.352 nan 8.370 nan 0.000 0.449 110 T N 0.590 115.215 114.554 0.119 0.000 2.737 110 T HA -0.067 4.284 4.350 0.001 0.000 0.265 110 T C 2.254 177.067 174.700 0.188 0.000 1.038 110 T CA 0.804 62.975 62.100 0.118 0.000 1.144 110 T CB -0.269 68.591 68.868 -0.014 0.000 0.866 110 T HN -0.003 nan 8.240 nan 0.000 0.434 111 V N 0.521 120.528 119.914 0.156 0.000 2.759 111 V HA -0.102 4.018 4.120 0.001 0.000 0.256 111 V C 1.947 178.164 176.094 0.205 0.000 1.080 111 V CA 1.060 63.466 62.300 0.177 0.000 1.101 111 V CB -0.849 31.035 31.823 0.102 0.000 0.698 111 V HN 0.428 nan 8.190 nan 0.000 0.477 112 Y N 1.962 122.308 120.300 0.076 0.000 2.049 112 Y HA -0.253 4.297 4.550 0.001 0.000 0.277 112 Y C 2.496 178.391 175.900 -0.008 0.000 1.143 112 Y CA 1.771 59.904 58.100 0.055 0.000 1.115 112 Y CB -0.457 38.042 38.460 0.064 0.000 0.975 112 Y HN 0.157 nan 8.280 nan 0.000 0.487 113 K N -0.405 120.163 120.400 0.280 0.000 2.242 113 K HA -0.237 4.084 4.320 0.001 0.000 0.206 113 K C 1.200 177.815 176.600 0.025 0.000 1.045 113 K CA 1.519 57.829 56.287 0.037 0.000 0.930 113 K CB -0.330 32.230 32.500 0.100 0.000 0.726 113 K HN 0.314 nan 8.250 nan 0.000 0.462 114 D N 0.441 120.954 120.400 0.189 0.000 2.358 114 D HA -0.057 4.584 4.640 0.001 0.000 0.241 114 D C 1.588 177.976 176.300 0.147 0.000 1.094 114 D CA 0.515 54.669 54.000 0.256 0.000 0.907 114 D CB 0.293 41.281 40.800 0.314 0.000 0.893 114 D HN 0.159 nan 8.370 nan 0.000 0.528 115 Q N -0.091 119.734 119.800 0.042 0.000 2.123 115 Q HA -0.007 4.333 4.340 0.001 0.000 0.193 115 Q C 0.549 176.615 176.000 0.109 0.000 0.981 115 Q CA 0.772 56.609 55.803 0.057 0.000 0.833 115 Q CB -0.116 28.659 28.738 0.061 0.000 0.914 115 Q HN 0.532 nan 8.270 nan 0.000 0.484 116 H N -0.418 118.745 119.070 0.155 0.000 2.882 116 H HA 0.225 4.782 4.556 0.001 0.000 0.258 116 H C -0.616 174.774 175.328 0.103 0.000 1.579 116 H CA -0.627 55.491 56.048 0.117 0.000 1.340 116 H CB -1.407 28.412 29.762 0.095 0.000 1.645 116 H HN 0.002 nan 8.280 nan 0.000 0.541 117 F N 3.006 122.944 119.950 -0.021 0.000 2.529 117 F HA 0.216 4.743 4.527 0.001 0.000 0.365 117 F C -0.230 175.509 175.800 -0.102 0.000 1.102 117 F CA 0.392 58.330 58.000 -0.102 0.000 1.271 117 F CB 0.914 39.812 39.000 -0.170 0.000 1.120 117 F HN 0.327 nan 8.300 nan 0.000 0.579 118 T N 7.554 121.511 114.554 -0.995 0.000 3.011 118 T HA 0.305 4.656 4.350 0.001 0.000 0.303 118 T C -0.032 174.064 174.700 -1.006 0.000 0.997 118 T CA -0.723 61.006 62.100 -0.618 0.000 1.007 118 T CB 1.194 69.896 68.868 -0.277 0.000 1.017 118 T HN 0.568 nan 8.240 nan 0.000 0.443 119 M N 2.157 121.416 119.600 -0.569 0.000 2.203 119 M HA 0.170 4.650 4.480 0.001 0.000 0.285 119 M C -0.517 175.536 176.300 -0.410 0.000 1.093 119 M CA 0.641 55.637 55.300 -0.508 0.000 1.126 119 M CB 0.126 32.644 32.600 -0.137 0.000 1.374 119 M HN 0.436 nan 8.290 nan 0.000 0.426 120 F N 0.564 120.461 119.950 -0.087 0.000 2.408 120 F HA 0.233 4.760 4.527 0.000 0.000 0.344 120 F C 1.343 177.139 175.800 -0.007 0.000 1.112 120 F CA -0.806 57.164 58.000 -0.050 0.000 1.096 120 F CB 0.410 39.403 39.000 -0.012 0.000 1.129 120 F HN 0.533 nan 8.300 nan 0.000 0.486 121 E N 0.798 121.112 120.200 0.191 0.000 2.028 121 E HA -0.062 4.288 4.350 0.001 0.000 0.190 121 E C 0.759 177.431 176.600 0.119 0.000 0.984 121 E CA 1.353 57.822 56.400 0.115 0.000 0.800 121 E CB -0.308 29.441 29.700 0.080 0.000 0.758 121 E HN 0.645 nan 8.360 nan 0.000 0.448 122 T N -1.227 113.394 114.554 0.113 0.000 2.930 122 T HA 0.287 4.637 4.350 0.001 0.000 0.290 122 T C 0.385 175.093 174.700 0.014 0.000 1.052 122 T CA -0.836 61.307 62.100 0.071 0.000 1.017 122 T CB 1.767 70.668 68.868 0.056 0.000 1.137 122 T HN -0.335 nan 8.240 nan 0.000 0.511 123 D N 0.722 121.094 120.400 -0.047 0.000 2.221 123 D HA -0.026 4.615 4.640 0.001 0.000 0.204 123 D C 2.226 178.252 176.300 -0.456 0.000 0.982 123 D CA 1.493 55.288 54.000 -0.342 0.000 0.857 123 D CB -0.564 40.042 40.800 -0.324 0.000 0.934 123 D HN 0.742 nan 8.370 nan 0.000 0.475 124 A N 0.941 123.733 122.820 -0.046 0.000 1.902 124 A HA -0.226 4.094 4.320 0.001 0.000 0.217 124 A C 2.059 179.644 177.584 0.002 0.000 1.181 124 A CA 1.512 53.621 52.037 0.120 0.000 0.623 124 A CB -0.473 18.595 19.000 0.113 0.000 0.818 124 A HN 0.238 nan 8.150 nan 0.000 0.443 125 E N -0.673 119.452 120.200 -0.126 0.000 2.107 125 E HA -0.133 4.217 4.350 0.001 0.000 0.191 125 E C 1.945 178.094 176.600 -0.752 0.000 0.982 125 E CA 1.010 57.233 56.400 -0.294 0.000 0.809 125 E CB -0.274 29.309 29.700 -0.195 0.000 0.756 125 E HN 0.543 nan 8.360 nan 0.000 0.459 126 L N 0.629 121.385 121.223 -0.778 0.000 1.989 126 L HA -0.177 4.163 4.340 0.001 0.000 0.211 126 L C 1.929 178.681 176.870 -0.196 0.000 1.071 126 L CA 1.792 56.191 54.840 -0.735 0.000 0.749 126 L CB -0.598 41.275 42.059 -0.310 0.000 0.890 126 L HN -0.035 nan 8.230 nan 0.000 0.431 127 F N 0.692 120.618 119.950 -0.040 0.000 2.126 127 F HA -0.021 4.506 4.527 0.001 0.000 0.299 127 F C 2.579 178.405 175.800 0.043 0.000 1.096 127 F CA 1.081 59.103 58.000 0.038 0.000 1.255 127 F CB -1.750 37.285 39.000 0.057 0.000 0.997 127 F HN 0.229 nan 8.300 nan 0.000 0.479 128 G N -1.883 107.025 108.800 0.180 0.000 2.422 128 G HA2 -0.303 3.658 3.960 0.001 0.000 0.218 128 G HA3 -0.303 3.658 3.960 0.001 0.000 0.218 128 G C 1.618 176.618 174.900 0.167 0.000 1.140 128 G CA 0.616 45.811 45.100 0.158 0.000 0.775 128 G HN 0.438 nan 8.290 nan 0.000 0.545 129 Y N 0.932 121.208 120.300 -0.040 0.000 2.200 129 Y HA -0.153 4.397 4.550 0.001 0.000 0.290 129 Y C 2.717 178.658 175.900 0.069 0.000 1.137 129 Y CA 1.383 59.500 58.100 0.029 0.000 1.163 129 Y CB -0.446 38.034 38.460 0.034 0.000 0.988 129 Y HN 0.204 nan 8.280 nan 0.000 0.518 130 C N 0.079 119.463 119.300 0.140 0.000 2.410 130 C HA -0.189 4.271 4.460 0.001 0.000 0.281 130 C C 2.487 177.452 174.990 -0.042 0.000 1.318 130 C CA 1.306 60.356 59.018 0.054 0.000 1.776 130 C CB -1.932 25.925 27.740 0.194 0.000 1.942 130 C HN 0.781 nan 8.230 nan 0.000 0.508 131 Y N 2.141 122.416 120.300 -0.042 0.000 2.133 131 Y HA 0.033 4.583 4.550 0.001 0.000 0.287 131 Y C 2.462 178.294 175.900 -0.114 0.000 1.134 131 Y CA 1.815 59.879 58.100 -0.060 0.000 1.133 131 Y CB -0.863 37.581 38.460 -0.027 0.000 0.987 131 Y HN 0.189 nan 8.280 nan 0.000 0.502 132 G N -0.623 107.925 108.800 -0.419 0.000 2.470 132 G HA2 -0.192 3.769 3.960 0.001 0.000 0.220 132 G HA3 -0.192 3.769 3.960 0.001 0.000 0.220 132 G C 1.384 176.004 174.900 -0.466 0.000 1.121 132 G CA 1.241 46.066 45.100 -0.458 0.000 0.766 132 G HN 0.397 nan 8.290 nan 0.000 0.553 133 V N -0.623 118.990 119.914 -0.503 0.000 3.590 133 V HA 0.459 4.579 4.120 0.001 0.000 0.265 133 V C 2.028 177.927 176.094 -0.325 0.000 1.239 133 V CA 1.532 63.576 62.300 -0.426 0.000 1.117 133 V CB 0.740 32.209 31.823 -0.589 0.000 0.818 133 V HN 0.507 nan 8.190 nan 0.000 0.451 134 A N -0.995 121.620 122.820 -0.341 0.000 1.704 134 A HA 0.371 4.691 4.320 0.001 0.000 0.211 134 A C 2.023 179.443 177.584 -0.272 0.000 1.792 134 A CA 0.848 52.730 52.037 -0.260 0.000 1.264 134 A CB -0.667 18.237 19.000 -0.160 0.000 1.235 134 A HN 0.342 nan 8.150 nan 0.000 0.440 135 G N 0.707 109.335 108.800 -0.287 0.000 2.469 135 G HA2 -0.236 3.725 3.960 0.001 0.000 0.220 135 G HA3 -0.236 3.725 3.960 0.001 0.000 0.220 135 G C 1.695 176.429 174.900 -0.277 0.000 1.136 135 G CA 2.604 47.595 45.100 -0.182 0.000 0.759 135 G HN 0.912 nan 8.290 nan 0.000 0.562 136 T N -1.142 113.056 114.554 -0.593 0.000 2.915 136 T HA -0.034 4.316 4.350 0.001 0.000 0.269 136 T C 2.248 176.732 174.700 -0.359 0.000 1.071 136 T CA 1.348 63.170 62.100 -0.462 0.000 1.132 136 T CB -0.245 68.286 68.868 -0.562 0.000 0.878 136 T HN 0.035 nan 8.240 nan 0.000 0.479 137 V N 1.774 121.477 119.914 -0.353 0.000 2.453 137 V HA 0.075 4.195 4.120 0.001 0.000 0.247 137 V C 3.107 179.023 176.094 -0.297 0.000 1.048 137 V CA 1.644 63.734 62.300 -0.350 0.000 1.049 137 V CB -1.406 30.226 31.823 -0.318 0.000 0.672 137 V HN 0.665 nan 8.190 nan 0.000 0.457 138 G N -0.201 108.466 108.800 -0.223 0.000 2.422 138 G HA2 -0.222 3.738 3.960 0.001 0.000 0.218 138 G HA3 -0.222 3.738 3.960 0.001 0.000 0.218 138 G C 1.436 176.277 174.900 -0.097 0.000 1.146 138 G CA 0.861 45.870 45.100 -0.151 0.000 0.769 138 G HN 0.593 nan 8.290 nan 0.000 0.547 139 E N 0.232 120.394 120.200 -0.063 0.000 2.072 139 E HA -0.102 4.248 4.350 0.001 0.000 0.191 139 E C 2.859 179.443 176.600 -0.027 0.000 0.985 139 E CA 1.351 57.796 56.400 0.075 0.000 0.801 139 E CB -0.266 29.488 29.700 0.089 0.000 0.750 139 E HN 0.466 nan 8.360 nan 0.000 0.452 140 V N -0.262 119.501 119.914 -0.251 0.000 2.343 140 V HA -0.202 3.918 4.120 0.001 0.000 0.247 140 V C 2.153 178.086 176.094 -0.269 0.000 1.051 140 V CA 1.425 63.500 62.300 -0.375 0.000 1.036 140 V CB -0.731 30.630 31.823 -0.771 0.000 0.654 140 V HN 0.166 nan 8.190 nan 0.000 0.451 141 L N 0.400 121.464 121.223 -0.265 0.000 2.275 141 L HA -0.086 4.255 4.340 0.001 0.000 0.215 141 L C 2.749 179.505 176.870 -0.189 0.000 1.119 141 L CA 1.610 56.300 54.840 -0.251 0.000 0.790 141 L CB -1.006 40.862 42.059 -0.319 0.000 0.919 141 L HN 0.378 nan 8.230 nan 0.000 0.443 142 T N 0.453 114.907 114.554 -0.167 0.000 2.607 142 T HA -0.146 4.204 4.350 0.001 0.000 0.267 142 T C -0.385 174.200 174.700 -0.192 0.000 1.049 142 T CA 1.658 63.638 62.100 -0.200 0.000 1.162 142 T CB -1.032 67.513 68.868 -0.537 0.000 0.863 142 T HN 0.214 nan 8.240 nan 0.000 0.424 143 P HA -0.026 nan 4.420 nan 0.000 0.218 143 P C 1.239 178.489 177.300 -0.083 0.000 1.146 143 P CA 0.794 63.831 63.100 -0.106 0.000 0.813 143 P CB -0.164 31.510 31.700 -0.044 0.000 0.778 144 I N -1.783 118.727 120.570 -0.101 0.000 2.406 144 I HA -0.082 4.088 4.170 0.001 0.000 0.249 144 I C 1.786 177.856 176.117 -0.079 0.000 1.122 144 I CA 1.447 62.686 61.300 -0.101 0.000 1.431 144 I CB -1.157 36.754 38.000 -0.148 0.000 1.087 144 I HN 0.010 nan 8.210 nan 0.000 0.424 145 L N -1.096 120.092 121.223 -0.059 0.000 2.700 145 L HA 0.220 4.560 4.340 0.001 0.000 0.234 145 L C 0.701 177.650 176.870 0.131 0.000 1.156 145 L CA 0.076 54.916 54.840 -0.001 0.000 0.946 145 L CB -0.077 41.930 42.059 -0.088 0.000 1.216 145 L HN -0.013 nan 8.230 nan 0.000 0.493 146 S N -1.337 114.406 115.700 0.072 0.000 2.685 146 S HA 0.419 4.890 4.470 0.001 0.000 0.282 146 S C -0.346 174.245 174.600 -0.014 0.000 1.159 146 S CA -0.563 57.684 58.200 0.079 0.000 0.833 146 S CB 1.879 65.102 63.200 0.038 0.000 1.151 146 S HN 0.092 nan 8.310 nan 0.000 0.485 147 D N -0.126 120.244 120.400 -0.050 0.000 2.531 147 D HA 0.137 4.777 4.640 0.001 0.000 0.263 147 D C -0.414 175.687 176.300 -0.331 0.000 1.057 147 D CA 0.643 54.515 54.000 -0.213 0.000 0.909 147 D CB 0.088 40.696 40.800 -0.320 0.000 1.236 147 D HN 0.551 nan 8.370 nan 0.000 0.494 148 H N 1.498 120.536 119.070 -0.054 0.000 2.565 148 H HA 0.299 4.856 4.556 0.001 0.000 0.231 148 H C -0.535 174.740 175.328 -0.088 0.000 1.692 148 H CA -0.179 55.835 56.048 -0.056 0.000 1.269 148 H CB -0.184 29.540 29.762 -0.063 0.000 1.615 148 H HN -0.135 nan 8.280 nan 0.000 0.554 149 E N 1.783 121.972 120.200 -0.017 0.000 1.774 149 E HA 0.031 4.381 4.350 0.001 0.000 0.265 149 E C 0.474 177.151 176.600 0.128 0.000 1.207 149 E CA -0.219 56.135 56.400 -0.076 0.000 1.054 149 E CB 0.099 29.788 29.700 -0.019 0.000 1.074 149 E HN 0.596 nan 8.360 nan 0.000 0.433 150 T N -2.328 112.289 114.554 0.104 0.000 2.927 150 T HA 0.110 4.460 4.350 0.001 0.000 0.286 150 T C 1.232 176.089 174.700 0.262 0.000 1.040 150 T CA -0.783 61.429 62.100 0.187 0.000 1.010 150 T CB 1.428 70.364 68.868 0.113 0.000 1.177 150 T HN 0.494 nan 8.240 nan 0.000 0.546 151 H N 0.261 119.420 119.070 0.148 0.000 2.321 151 H HA -0.185 4.371 4.556 0.001 0.000 0.295 151 H C 1.847 177.227 175.328 0.087 0.000 1.102 151 H CA 2.670 58.790 56.048 0.121 0.000 1.266 151 H CB -0.116 29.670 29.762 0.040 0.000 1.363 151 H HN 0.831 nan 8.280 nan 0.000 0.492 152 Q N 0.255 120.035 119.800 -0.033 0.000 2.135 152 Q HA -0.132 4.209 4.340 0.001 0.000 0.204 152 Q C 2.266 178.146 176.000 -0.199 0.000 0.981 152 Q CA 2.602 58.323 55.803 -0.137 0.000 0.856 152 Q CB 0.022 28.727 28.738 -0.056 0.000 0.902 152 Q HN 0.693 nan 8.270 nan 0.000 0.425 153 T N -1.739 112.701 114.554 -0.188 0.000 2.737 153 T HA -0.154 4.196 4.350 0.001 0.000 0.265 153 T C 1.615 176.180 174.700 -0.226 0.000 1.038 153 T CA 1.283 63.190 62.100 -0.322 0.000 1.144 153 T CB -0.856 67.800 68.868 -0.352 0.000 0.866 153 T HN 0.323 nan 8.240 nan 0.000 0.434 154 Y N 2.159 122.380 120.300 -0.131 0.000 2.165 154 Y HA -0.101 4.450 4.550 0.001 0.000 0.286 154 Y C 2.702 178.534 175.900 -0.114 0.000 1.155 154 Y CA 1.332 59.377 58.100 -0.091 0.000 1.164 154 Y CB -0.503 37.906 38.460 -0.085 0.000 0.978 154 Y HN 0.264 nan 8.280 nan 0.000 0.513 155 D N -0.293 120.063 120.400 -0.074 0.000 2.178 155 D HA -0.135 4.505 4.640 0.001 0.000 0.202 155 D C 2.157 178.423 176.300 -0.058 0.000 0.974 155 D CA 1.018 54.939 54.000 -0.132 0.000 0.841 155 D CB 0.074 40.673 40.800 -0.335 0.000 0.953 155 D HN 0.208 nan 8.370 nan 0.000 0.478 156 V N 1.147 121.019 119.914 -0.070 0.000 2.323 156 V HA -0.146 3.975 4.120 0.001 0.000 0.244 156 V C 2.739 178.908 176.094 0.126 0.000 1.041 156 V CA 1.569 63.863 62.300 -0.011 0.000 1.025 156 V CB -0.717 31.041 31.823 -0.109 0.000 0.656 156 V HN 0.241 nan 8.190 nan 0.000 0.451 157 A N 0.108 123.056 122.820 0.213 0.000 1.892 157 A HA -0.321 4.000 4.320 0.001 0.000 0.218 157 A C 2.384 180.028 177.584 0.100 0.000 1.188 157 A CA 2.448 54.640 52.037 0.259 0.000 0.631 157 A CB -0.667 18.462 19.000 0.215 0.000 0.822 157 A HN 0.491 nan 8.150 nan 0.000 0.447 158 R N -0.527 120.025 120.500 0.086 0.000 2.080 158 R HA -0.163 4.177 4.340 0.001 0.000 0.236 158 R C 2.467 178.806 176.300 0.065 0.000 1.137 158 R CA 1.803 57.951 56.100 0.079 0.000 0.943 158 R CB -0.303 30.069 30.300 0.119 0.000 0.846 158 R HN 0.556 nan 8.270 nan 0.000 0.431 159 R N 0.293 120.826 120.500 0.055 0.000 2.081 159 R HA -0.162 4.178 4.340 0.001 0.000 0.235 159 R C 2.390 178.724 176.300 0.056 0.000 1.131 159 R CA 1.366 57.491 56.100 0.041 0.000 0.960 159 R CB -0.615 29.695 30.300 0.017 0.000 0.856 159 R HN 0.213 nan 8.270 nan 0.000 0.436 160 L N 0.786 122.053 121.223 0.075 0.000 1.971 160 L HA -0.129 4.211 4.340 0.001 0.000 0.215 160 L C 2.191 179.093 176.870 0.052 0.000 1.072 160 L CA 2.405 57.298 54.840 0.089 0.000 0.758 160 L CB -1.280 40.835 42.059 0.093 0.000 0.889 160 L HN 0.213 nan 8.230 nan 0.000 0.433 161 G N -1.251 107.552 108.800 0.005 0.000 2.513 161 G HA2 -0.325 3.636 3.960 0.001 0.000 0.219 161 G HA3 -0.325 3.636 3.960 0.001 0.000 0.219 161 G C 1.463 176.351 174.900 -0.019 0.000 1.160 161 G CA 1.019 46.089 45.100 -0.049 0.000 0.767 161 G HN 0.589 nan 8.290 nan 0.000 0.571 162 E N -0.061 120.150 120.200 0.018 0.000 2.110 162 E HA -0.087 4.263 4.350 0.001 0.000 0.193 162 E C 2.724 179.371 176.600 0.077 0.000 0.988 162 E CA 1.011 57.440 56.400 0.048 0.000 0.804 162 E CB -0.125 29.616 29.700 0.068 0.000 0.745 162 E HN 0.433 nan 8.360 nan 0.000 0.458 163 S N 0.601 116.351 115.700 0.082 0.000 2.355 163 S HA -0.099 4.371 4.470 0.001 0.000 0.222 163 S C 2.007 176.690 174.600 0.138 0.000 1.031 163 S CA 0.719 58.991 58.200 0.119 0.000 0.993 163 S CB -0.191 63.101 63.200 0.152 0.000 0.859 163 S HN 0.179 nan 8.310 nan 0.000 0.453 164 L N 1.113 122.403 121.223 0.112 0.000 2.079 164 L HA -0.140 4.200 4.340 0.001 0.000 0.210 164 L C 2.893 179.837 176.870 0.124 0.000 1.081 164 L CA 1.748 56.643 54.840 0.092 0.000 0.752 164 L CB -0.602 41.427 42.059 -0.050 0.000 0.896 164 L HN 0.432 nan 8.230 nan 0.000 0.433 165 Q N 0.436 120.287 119.800 0.086 0.000 2.172 165 Q HA -0.154 4.187 4.340 0.001 0.000 0.200 165 Q C 2.142 178.223 176.000 0.135 0.000 0.964 165 Q CA 1.414 57.277 55.803 0.101 0.000 0.855 165 Q CB -0.236 28.526 28.738 0.040 0.000 0.918 165 Q HN 0.457 nan 8.270 nan 0.000 0.444 166 L N -0.311 120.999 121.223 0.145 0.000 2.083 166 L HA -0.146 4.194 4.340 0.001 0.000 0.209 166 L C 2.072 179.014 176.870 0.121 0.000 1.083 166 L CA 1.157 56.081 54.840 0.139 0.000 0.752 166 L CB -0.202 41.957 42.059 0.166 0.000 0.899 166 L HN 0.356 nan 8.230 nan 0.000 0.433 167 I N -0.307 120.363 120.570 0.167 0.000 2.252 167 I HA -0.329 3.841 4.170 0.001 0.000 0.245 167 I C 2.427 178.672 176.117 0.214 0.000 1.102 167 I CA 1.183 62.592 61.300 0.182 0.000 1.385 167 I CB -0.532 37.625 38.000 0.262 0.000 1.064 167 I HN 0.403 nan 8.210 nan 0.000 0.414 168 N N 1.769 120.650 118.700 0.302 0.000 2.061 168 N HA -0.221 4.520 4.740 0.001 0.000 0.193 168 N C 1.978 177.570 175.510 0.136 0.000 1.030 168 N CA 1.790 55.004 53.050 0.275 0.000 0.856 168 N CB -0.111 38.552 38.487 0.294 0.000 1.023 168 N HN 0.314 nan 8.380 nan 0.000 0.424 169 I N 0.950 121.566 120.570 0.076 0.000 2.394 169 I HA -0.207 3.964 4.170 0.001 0.000 0.251 169 I C 2.097 178.246 176.117 0.054 0.000 1.136 169 I CA 0.509 61.801 61.300 -0.013 0.000 1.425 169 I CB -0.045 37.906 38.000 -0.081 0.000 1.079 169 I HN 0.166 nan 8.210 nan 0.000 0.425 170 L N 0.143 121.446 121.223 0.133 0.000 2.275 170 L HA -0.155 4.186 4.340 0.001 0.000 0.215 170 L C 2.621 179.783 176.870 0.486 0.000 1.119 170 L CA 0.931 55.943 54.840 0.287 0.000 0.790 170 L CB -0.437 41.686 42.059 0.107 0.000 0.919 170 L HN 0.261 nan 8.230 nan 0.000 0.443 171 R N -0.085 120.581 120.500 0.276 0.000 2.128 171 R HA -0.059 4.282 4.340 0.001 0.000 0.211 171 R C 0.752 177.153 176.300 0.168 0.000 1.067 171 R CA 0.903 57.130 56.100 0.212 0.000 1.010 171 R CB 0.211 30.574 30.300 0.104 0.000 0.922 171 R HN 0.210 nan 8.270 nan 0.000 0.457 172 D N 1.134 121.613 120.400 0.131 0.000 2.319 172 D HA 0.010 4.650 4.640 0.001 0.000 0.230 172 D C 1.663 178.018 176.300 0.092 0.000 1.094 172 D CA 0.093 54.151 54.000 0.097 0.000 0.856 172 D CB 0.557 41.400 40.800 0.072 0.000 0.915 172 D HN 0.037 nan 8.370 nan 0.000 0.517 173 V N 1.077 121.062 119.914 0.118 0.000 2.231 173 V HA -0.278 3.843 4.120 0.001 0.000 0.250 173 V C 2.648 178.810 176.094 0.113 0.000 1.058 173 V CA 2.327 64.677 62.300 0.084 0.000 1.022 173 V CB -1.202 30.749 31.823 0.213 0.000 0.640 173 V HN 0.331 nan 8.190 nan 0.000 0.445 174 G N -0.539 108.342 108.800 0.136 0.000 2.514 174 G HA2 -0.287 3.674 3.960 0.001 0.000 0.217 174 G HA3 -0.287 3.674 3.960 0.001 0.000 0.217 174 G C 1.408 176.380 174.900 0.119 0.000 1.198 174 G CA 1.140 46.335 45.100 0.159 0.000 0.780 174 G HN 0.606 nan 8.290 nan 0.000 0.565 175 E N 0.539 120.788 120.200 0.080 0.000 2.114 175 E HA -0.167 4.184 4.350 0.001 0.000 0.199 175 E C 2.179 178.784 176.600 0.007 0.000 1.008 175 E CA 1.380 57.806 56.400 0.043 0.000 0.810 175 E CB -0.099 29.629 29.700 0.047 0.000 0.739 175 E HN 0.324 nan 8.360 nan 0.000 0.456 176 D N -0.184 120.234 120.400 0.030 0.000 2.144 176 D HA -0.128 4.512 4.640 0.001 0.000 0.200 176 D C 1.622 177.879 176.300 -0.071 0.000 0.978 176 D CA 0.685 54.684 54.000 -0.001 0.000 0.833 176 D CB -0.301 40.547 40.800 0.080 0.000 0.961 176 D HN 0.149 nan 8.370 nan 0.000 0.470 177 F N 1.548 121.384 119.950 -0.190 0.000 2.146 177 F HA -0.133 4.395 4.527 0.001 0.000 0.298 177 F C 2.233 177.846 175.800 -0.311 0.000 1.096 177 F CA 1.126 58.955 58.000 -0.284 0.000 1.275 177 F CB 0.219 39.016 39.000 -0.338 0.000 1.008 177 F HN -0.162 nan 8.300 nan 0.000 0.480 178 E N 0.255 120.201 120.200 -0.424 0.000 2.130 178 E HA -0.256 4.094 4.350 0.001 0.000 0.196 178 E C 1.424 177.810 176.600 -0.356 0.000 0.998 178 E CA 1.377 57.518 56.400 -0.433 0.000 0.806 178 E CB -0.256 29.350 29.700 -0.156 0.000 0.738 178 E HN 0.415 nan 8.360 nan 0.000 0.459 179 N N 0.620 119.164 118.700 -0.260 0.000 2.449 179 N HA -0.064 4.676 4.740 0.001 0.000 0.191 179 N C -0.730 174.611 175.510 -0.281 0.000 1.161 179 N CA 0.411 53.331 53.050 -0.217 0.000 0.863 179 N CB 0.311 38.708 38.487 -0.151 0.000 0.980 179 N HN 0.193 nan 8.380 nan 0.000 0.458 180 E N -0.142 119.837 120.200 -0.368 0.000 2.553 180 E HA -0.186 4.164 4.350 0.001 0.000 0.264 180 E C -0.657 175.681 176.600 -0.437 0.000 1.068 180 E CA 0.490 56.678 56.400 -0.353 0.000 0.774 180 E CB -1.169 28.373 29.700 -0.263 0.000 1.349 180 E HN 0.394 nan 8.360 nan 0.000 0.404 181 R N 0.180 120.381 120.500 -0.498 0.000 2.574 181 R HA 0.630 4.970 4.340 0.001 0.000 0.288 181 R C -0.463 175.461 176.300 -0.627 0.000 1.004 181 R CA -0.721 54.820 56.100 -0.933 0.000 0.895 181 R CB 1.575 31.140 30.300 -1.226 0.000 1.191 181 R HN -0.005 nan 8.270 nan 0.000 0.444 182 I N 2.811 123.006 120.570 -0.626 0.000 2.418 182 I HA 0.233 4.404 4.170 0.001 0.000 0.287 182 I C -0.164 175.704 176.117 -0.416 0.000 1.008 182 I CA -0.473 60.621 61.300 -0.343 0.000 1.104 182 I CB 1.537 39.464 38.000 -0.122 0.000 1.264 182 I HN 0.654 nan 8.210 nan 0.000 0.438 183 Y N 4.362 124.520 120.300 -0.236 0.000 2.497 183 Y HA 0.240 4.791 4.550 0.001 0.000 0.265 183 Y C 0.690 176.638 175.900 0.079 0.000 1.111 183 Y CA -0.192 57.842 58.100 -0.110 0.000 1.288 183 Y CB 0.112 38.516 38.460 -0.094 0.000 1.082 183 Y HN 0.295 nan 8.280 nan 0.000 0.536 184 F N 1.171 121.184 119.950 0.105 0.000 2.553 184 F HA 0.100 4.628 4.527 0.001 0.000 0.356 184 F C 1.203 177.101 175.800 0.164 0.000 1.142 184 F CA -1.233 56.799 58.000 0.052 0.000 1.322 184 F CB 0.114 39.181 39.000 0.112 0.000 1.126 184 F HN -0.163 nan 8.300 nan 0.000 0.599 185 S N 1.944 117.895 115.700 0.418 0.000 2.614 185 S HA 0.273 4.744 4.470 0.001 0.000 0.265 185 S C 0.843 175.569 174.600 0.210 0.000 1.303 185 S CA -0.771 57.607 58.200 0.295 0.000 1.000 185 S CB 1.143 64.480 63.200 0.228 0.000 0.935 185 S HN 0.621 nan 8.310 nan 0.000 0.551 186 K N 0.184 120.672 120.400 0.146 0.000 2.103 186 K HA -0.096 4.224 4.320 0.001 0.000 0.204 186 K C 2.340 178.992 176.600 0.085 0.000 1.052 186 K CA 0.812 57.160 56.287 0.102 0.000 0.945 186 K CB -0.248 32.294 32.500 0.069 0.000 0.722 186 K HN 0.561 nan 8.250 nan 0.000 0.443 187 Q N 1.875 121.724 119.800 0.081 0.000 2.014 187 Q HA -0.222 4.119 4.340 0.001 0.000 0.207 187 Q C 2.118 178.146 176.000 0.048 0.000 0.993 187 Q CA 1.834 57.669 55.803 0.054 0.000 0.850 187 Q CB -0.127 28.642 28.738 0.051 0.000 0.916 187 Q HN 0.113 nan 8.270 nan 0.000 0.417 188 R N -0.269 120.266 120.500 0.058 0.000 2.148 188 R HA 0.046 4.387 4.340 0.001 0.000 0.227 188 R C 2.472 178.816 176.300 0.074 0.000 1.103 188 R CA 0.625 56.733 56.100 0.014 0.000 0.983 188 R CB -0.197 30.060 30.300 -0.071 0.000 0.874 188 R HN 0.309 nan 8.270 nan 0.000 0.451 189 L N 0.356 121.645 121.223 0.111 0.000 2.109 189 L HA -0.107 4.233 4.340 0.001 0.000 0.207 189 L C 2.490 179.415 176.870 0.091 0.000 1.086 189 L CA 1.299 56.213 54.840 0.124 0.000 0.760 189 L CB -0.351 41.800 42.059 0.153 0.000 0.910 189 L HN 0.212 nan 8.230 nan 0.000 0.437 190 K N 0.253 120.690 120.400 0.062 0.000 2.007 190 K HA -0.246 4.074 4.320 0.001 0.000 0.206 190 K C 2.052 178.650 176.600 -0.003 0.000 1.047 190 K CA 1.515 57.815 56.287 0.021 0.000 0.937 190 K CB -0.249 32.260 32.500 0.014 0.000 0.718 190 K HN 0.242 nan 8.250 nan 0.000 0.438 191 Q N -0.443 119.359 119.800 0.002 0.000 2.217 191 Q HA -0.203 4.138 4.340 0.001 0.000 0.209 191 Q C 0.778 176.671 176.000 -0.178 0.000 0.988 191 Q CA 1.735 57.490 55.803 -0.080 0.000 0.878 191 Q CB -0.063 28.629 28.738 -0.075 0.000 0.909 191 Q HN 0.516 nan 8.270 nan 0.000 0.424 192 Y N 0.308 120.540 120.300 -0.113 0.000 2.485 192 Y HA 0.178 4.728 4.550 0.001 0.000 0.260 192 Y C -0.392 175.429 175.900 -0.131 0.000 1.173 192 Y CA -0.165 57.884 58.100 -0.085 0.000 1.252 192 Y CB 0.645 39.049 38.460 -0.094 0.000 1.123 192 Y HN 0.115 nan 8.280 nan 0.000 0.524 193 E N 0.669 120.819 120.200 -0.082 0.000 2.273 193 E HA -0.166 4.184 4.350 0.001 0.000 0.177 193 E C -0.962 175.513 176.600 -0.208 0.000 1.511 193 E CA 0.476 56.742 56.400 -0.224 0.000 0.675 193 E CB -1.261 28.162 29.700 -0.462 0.000 1.094 193 E HN 0.224 nan 8.360 nan 0.000 0.348 194 V N -1.538 118.371 119.914 -0.009 0.000 2.925 194 V HA 0.733 4.853 4.120 0.001 0.000 0.311 194 V C -0.638 175.505 176.094 0.081 0.000 1.104 194 V CA -0.984 61.365 62.300 0.082 0.000 0.954 194 V CB 2.540 34.489 31.823 0.210 0.000 1.022 194 V HN 0.200 nan 8.190 nan 0.000 0.427 195 D N 3.129 123.572 120.400 0.071 0.000 2.649 195 D HA 0.418 5.059 4.640 0.001 0.000 0.249 195 D C 0.636 176.928 176.300 -0.013 0.000 1.112 195 D CA -0.595 53.421 54.000 0.026 0.000 0.850 195 D CB 2.142 42.945 40.800 0.005 0.000 1.399 195 D HN 0.391 nan 8.370 nan 0.000 0.503 196 I N 2.812 123.328 120.570 -0.090 0.000 2.233 196 I HA -0.137 4.033 4.170 0.001 0.000 0.243 196 I C 2.438 178.188 176.117 -0.611 0.000 1.093 196 I CA 0.930 62.064 61.300 -0.278 0.000 1.380 196 I CB -1.592 36.199 38.000 -0.348 0.000 1.067 196 I HN 0.526 nan 8.210 nan 0.000 0.413 197 A N 0.499 122.926 122.820 -0.655 0.000 1.908 197 A HA -0.240 4.080 4.320 0.001 0.000 0.218 197 A C 2.361 179.893 177.584 -0.087 0.000 1.181 197 A CA 1.894 53.631 52.037 -0.500 0.000 0.627 197 A CB -0.591 18.398 19.000 -0.019 0.000 0.818 197 A HN 0.440 nan 8.150 nan 0.000 0.445 198 E N 0.180 120.348 120.200 -0.052 0.000 2.047 198 E HA -0.111 4.239 4.350 0.001 0.000 0.191 198 E C 2.082 178.693 176.600 0.018 0.000 0.987 198 E CA 1.556 57.966 56.400 0.018 0.000 0.799 198 E CB -0.331 29.380 29.700 0.018 0.000 0.752 198 E HN 0.296 nan 8.360 nan 0.000 0.449 199 V N 0.990 120.887 119.914 -0.028 0.000 2.407 199 V HA -0.247 3.873 4.120 0.001 0.000 0.248 199 V C 2.302 178.382 176.094 -0.022 0.000 1.055 199 V CA 1.852 64.116 62.300 -0.060 0.000 1.049 199 V CB -0.807 30.909 31.823 -0.177 0.000 0.662 199 V HN 0.336 nan 8.190 nan 0.000 0.455 200 Y N 0.744 120.952 120.300 -0.154 0.000 2.207 200 Y HA -0.300 4.251 4.550 0.001 0.000 0.287 200 Y C 2.450 178.444 175.900 0.157 0.000 1.156 200 Y CA 2.151 60.234 58.100 -0.028 0.000 1.182 200 Y CB -0.050 38.404 38.460 -0.010 0.000 0.979 200 Y HN 0.276 nan 8.280 nan 0.000 0.521 201 Q N 0.374 120.288 119.800 0.190 0.000 1.879 201 Q HA -0.098 4.242 4.340 0.001 0.000 0.214 201 Q C 1.749 177.759 176.000 0.016 0.000 0.973 201 Q CA 1.732 57.592 55.803 0.096 0.000 0.856 201 Q CB -0.484 28.324 28.738 0.116 0.000 0.907 201 Q HN 0.424 nan 8.270 nan 0.000 0.436 202 N N 0.494 119.207 118.700 0.022 0.000 2.635 202 N HA 0.046 4.786 4.740 0.001 0.000 0.191 202 N C 0.381 175.883 175.510 -0.013 0.000 1.155 202 N CA 1.021 54.072 53.050 0.001 0.000 0.927 202 N CB -0.195 38.300 38.487 0.014 0.000 0.976 202 N HN 0.364 nan 8.380 nan 0.000 0.448 203 G N -0.010 108.779 108.800 -0.019 0.000 2.756 203 G HA2 -0.193 3.768 3.960 0.001 0.000 0.678 203 G HA3 -0.193 3.768 3.960 0.001 0.000 0.678 203 G C -0.001 174.858 174.900 -0.069 0.000 1.349 203 G CA -0.371 44.708 45.100 -0.036 0.000 0.847 203 G HN 0.481 nan 8.290 nan 0.000 0.548 204 V N -0.428 119.430 119.914 -0.093 0.000 3.681 204 V HA 0.666 4.786 4.120 0.001 0.000 0.298 204 V C 0.756 176.833 176.094 -0.028 0.000 1.097 204 V CA 0.982 63.212 62.300 -0.117 0.000 1.125 204 V CB 1.392 33.175 31.823 -0.067 0.000 1.140 204 V HN 2.300 nan 8.190 nan 0.000 0.476 205 N N -0.292 118.419 118.700 0.019 0.000 3.588 205 N HA 0.236 4.977 4.740 0.001 0.000 0.340 205 N C 0.039 175.549 175.510 0.000 0.000 1.609 205 N CA -0.311 52.749 53.050 0.018 0.000 0.811 205 N CB 0.755 39.278 38.487 0.059 0.000 2.184 205 N HN 0.570 nan 8.380 nan 0.000 0.577 206 N N -0.958 117.711 118.700 -0.053 0.000 2.388 206 N HA 0.033 4.773 4.740 0.001 0.000 0.176 206 N C 1.016 176.509 175.510 -0.028 0.000 1.062 206 N CA 0.253 53.253 53.050 -0.084 0.000 0.895 206 N CB -0.018 38.386 38.487 -0.138 0.000 1.018 206 N HN 0.426 nan 8.380 nan 0.000 0.456 207 H N 0.147 119.276 119.070 0.098 0.000 2.321 207 H HA -0.115 4.442 4.556 0.001 0.000 0.300 207 H C 1.740 177.164 175.328 0.159 0.000 1.087 207 H CA 1.136 57.269 56.048 0.141 0.000 1.319 207 H CB -0.416 29.425 29.762 0.131 0.000 1.379 207 H HN 0.294 nan 8.280 nan 0.000 0.501 208 Y N 1.204 121.605 120.300 0.169 0.000 2.089 208 Y HA -0.172 4.378 4.550 0.001 0.000 0.282 208 Y C 2.695 178.623 175.900 0.048 0.000 1.139 208 Y CA 1.350 59.516 58.100 0.110 0.000 1.123 208 Y CB -0.723 37.794 38.460 0.096 0.000 0.980 208 Y HN -0.007 nan 8.280 nan 0.000 0.493 209 I N 0.408 120.970 120.570 -0.014 0.000 2.236 209 I HA -0.392 3.779 4.170 0.001 0.000 0.249 209 I C 1.928 177.994 176.117 -0.085 0.000 1.102 209 I CA 1.753 62.872 61.300 -0.302 0.000 1.365 209 I CB -0.472 37.230 38.000 -0.497 0.000 1.051 209 I HN 0.391 nan 8.210 nan 0.000 0.420 210 D N 0.475 120.874 120.400 -0.002 0.000 2.084 210 D HA -0.169 4.472 4.640 0.001 0.000 0.196 210 D C 2.001 178.250 176.300 -0.085 0.000 0.985 210 D CA 1.076 55.124 54.000 0.080 0.000 0.826 210 D CB -0.403 40.539 40.800 0.237 0.000 0.978 210 D HN 0.178 nan 8.370 nan 0.000 0.456 211 L N 0.147 121.181 121.223 -0.316 0.000 1.990 211 L HA -0.160 4.180 4.340 0.001 0.000 0.213 211 L C 2.197 178.760 176.870 -0.511 0.000 1.072 211 L CA 1.808 56.145 54.840 -0.839 0.000 0.755 211 L CB -1.196 40.440 42.059 -0.704 0.000 0.889 211 L HN 0.214 nan 8.230 nan 0.000 0.432 212 W N 0.699 121.667 121.300 -0.553 0.000 2.325 212 W HA -0.219 4.441 4.660 0.001 0.000 0.299 212 W C 2.314 178.814 176.519 -0.032 0.000 1.215 212 W CA 2.014 59.176 57.345 -0.304 0.000 1.244 212 W CB 0.086 29.372 29.460 -0.290 0.000 1.140 212 W HN 0.217 nan 8.180 nan 0.000 0.523 213 E N -0.979 119.373 120.200 0.253 0.000 2.208 213 E HA -0.219 4.131 4.350 0.001 0.000 0.193 213 E C 1.642 178.228 176.600 -0.023 0.000 0.988 213 E CA 1.175 57.700 56.400 0.209 0.000 0.828 213 E CB -1.014 28.859 29.700 0.288 0.000 0.763 213 E HN 0.564 nan 8.360 nan 0.000 0.478 214 Y N 0.684 120.825 120.300 -0.265 0.000 2.070 214 Y HA -0.341 4.210 4.550 0.001 0.000 0.280 214 Y C 2.023 177.729 175.900 -0.324 0.000 1.148 214 Y CA 1.831 59.725 58.100 -0.344 0.000 1.125 214 Y CB -0.511 37.551 38.460 -0.664 0.000 0.975 214 Y HN -0.054 nan 8.280 nan 0.000 0.492 215 Y N 0.133 120.298 120.300 -0.224 0.000 2.128 215 Y HA -0.236 4.315 4.550 0.001 0.000 0.284 215 Y C 2.761 178.475 175.900 -0.311 0.000 1.154 215 Y CA 1.363 59.313 58.100 -0.250 0.000 1.149 215 Y CB -1.353 36.974 38.460 -0.221 0.000 0.976 215 Y HN 0.284 nan 8.280 nan 0.000 0.505 216 A N 0.253 122.884 122.820 -0.315 0.000 1.917 216 A HA -0.241 4.079 4.320 0.001 0.000 0.219 216 A C 2.504 180.012 177.584 -0.127 0.000 1.182 216 A CA 2.232 54.076 52.037 -0.322 0.000 0.633 216 A CB -1.380 17.351 19.000 -0.448 0.000 0.819 216 A HN 0.446 nan 8.150 nan 0.000 0.448 217 A N 0.095 122.835 122.820 -0.132 0.000 1.873 217 A HA -0.179 4.141 4.320 0.001 0.000 0.218 217 A C 2.150 179.674 177.584 -0.101 0.000 1.193 217 A CA 1.750 53.725 52.037 -0.103 0.000 0.629 217 A CB -0.746 18.158 19.000 -0.161 0.000 0.826 217 A HN 0.535 nan 8.150 nan 0.000 0.447 218 I N -0.397 120.074 120.570 -0.165 0.000 2.069 218 I HA -0.347 3.823 4.170 0.001 0.000 0.237 218 I C 3.057 179.167 176.117 -0.012 0.000 1.053 218 I CA 1.304 62.544 61.300 -0.100 0.000 1.311 218 I CB -0.710 37.255 38.000 -0.058 0.000 1.030 218 I HN 0.402 nan 8.210 nan 0.000 0.398 219 A N 0.575 123.411 122.820 0.026 0.000 1.896 219 A HA -0.327 3.993 4.320 0.001 0.000 0.220 219 A C 2.206 179.857 177.584 0.113 0.000 1.206 219 A CA 2.482 54.561 52.037 0.070 0.000 0.647 219 A CB -0.963 18.067 19.000 0.050 0.000 0.828 219 A HN 0.543 nan 8.150 nan 0.000 0.455 220 E N -0.966 119.288 120.200 0.090 0.000 2.110 220 E HA -0.203 4.147 4.350 0.001 0.000 0.193 220 E C 2.166 178.887 176.600 0.201 0.000 0.988 220 E CA 1.308 57.806 56.400 0.164 0.000 0.804 220 E CB -0.125 29.636 29.700 0.102 0.000 0.745 220 E HN 0.692 nan 8.360 nan 0.000 0.458 221 K N 0.861 121.318 120.400 0.095 0.000 2.025 221 K HA -0.181 4.140 4.320 0.001 0.000 0.207 221 K C 1.470 178.099 176.600 0.048 0.000 1.049 221 K CA 1.697 58.017 56.287 0.054 0.000 0.933 221 K CB 0.113 32.614 32.500 0.001 0.000 0.714 221 K HN 0.002 nan 8.250 nan 0.000 0.438 222 D N 0.189 120.620 120.400 0.052 0.000 2.178 222 D HA -0.161 4.480 4.640 0.001 0.000 0.202 222 D C 1.684 178.031 176.300 0.078 0.000 0.974 222 D CA 0.778 54.800 54.000 0.037 0.000 0.841 222 D CB -0.288 40.527 40.800 0.025 0.000 0.953 222 D HN 0.241 nan 8.370 nan 0.000 0.478 223 F N 2.374 122.340 119.950 0.027 0.000 2.102 223 F HA -0.124 4.403 4.527 0.001 0.000 0.298 223 F C 2.253 178.081 175.800 0.047 0.000 1.105 223 F CA 1.368 59.398 58.000 0.049 0.000 1.239 223 F CB -0.072 38.966 39.000 0.063 0.000 0.991 223 F HN -0.241 nan 8.300 nan 0.000 0.474 224 R N 0.321 120.695 120.500 -0.209 0.000 2.081 224 R HA -0.164 4.176 4.340 0.001 0.000 0.235 224 R C 1.911 178.069 176.300 -0.236 0.000 1.131 224 R CA 1.618 57.540 56.100 -0.296 0.000 0.960 224 R CB -0.756 29.521 30.300 -0.038 0.000 0.856 224 R HN 0.324 nan 8.270 nan 0.000 0.436 225 D N 0.244 120.566 120.400 -0.129 0.000 2.104 225 D HA -0.150 4.490 4.640 0.001 0.000 0.194 225 D C 2.044 178.278 176.300 -0.110 0.000 0.994 225 D CA 1.731 55.674 54.000 -0.094 0.000 0.830 225 D CB -0.334 40.433 40.800 -0.056 0.000 0.959 225 D HN 0.199 nan 8.370 nan 0.000 0.452 226 V N -1.287 118.556 119.914 -0.119 0.000 2.343 226 V HA -0.216 3.905 4.120 0.001 0.000 0.247 226 V C 2.324 178.360 176.094 -0.096 0.000 1.051 226 V CA 1.101 63.359 62.300 -0.071 0.000 1.036 226 V CB -0.612 31.213 31.823 0.004 0.000 0.654 226 V HN 0.022 nan 8.190 nan 0.000 0.451 227 M N 0.725 120.174 119.600 -0.251 0.000 2.082 227 M HA -0.186 4.295 4.480 0.001 0.000 0.258 227 M C 2.070 178.313 176.300 -0.096 0.000 1.069 227 M CA 2.230 57.406 55.300 -0.206 0.000 1.102 227 M CB -1.515 30.846 32.600 -0.398 0.000 1.336 227 M HN 0.465 nan 8.290 nan 0.000 0.404 228 D N 0.216 120.549 120.400 -0.113 0.000 2.116 228 D HA -0.195 4.445 4.640 0.001 0.000 0.193 228 D C 1.650 177.918 176.300 -0.055 0.000 0.998 228 D CA 1.284 55.241 54.000 -0.072 0.000 0.836 228 D CB -0.320 40.438 40.800 -0.072 0.000 0.951 228 D HN 0.521 nan 8.370 nan 0.000 0.449 229 Q N -0.073 119.693 119.800 -0.058 0.000 2.329 229 Q HA 0.104 4.445 4.340 0.001 0.000 0.208 229 Q C 1.790 177.758 176.000 -0.054 0.000 0.934 229 Q CA -0.349 55.412 55.803 -0.069 0.000 0.951 229 Q CB 0.178 28.862 28.738 -0.089 0.000 1.017 229 Q HN 0.281 nan 8.270 nan 0.000 0.490 230 I N 0.615 121.202 120.570 0.028 0.000 2.423 230 I HA -0.296 3.874 4.170 0.001 0.000 0.254 230 I C 1.475 177.674 176.117 0.136 0.000 1.151 230 I CA 1.385 62.783 61.300 0.164 0.000 1.421 230 I CB 0.181 38.295 38.000 0.191 0.000 1.079 230 I HN 0.036 nan 8.210 nan 0.000 0.431 231 K N -0.005 120.411 120.400 0.026 0.000 2.515 231 K HA -0.078 4.243 4.320 0.001 0.000 0.196 231 K C 1.875 178.420 176.600 -0.091 0.000 1.038 231 K CA 1.294 57.584 56.287 0.006 0.000 0.967 231 K CB -0.243 32.242 32.500 -0.025 0.000 0.780 231 K HN 0.501 nan 8.250 nan 0.000 0.483 232 V N -1.251 118.511 119.914 -0.254 0.000 3.078 232 V HA -0.059 4.062 4.120 0.001 0.000 0.265 232 V C 0.611 176.433 176.094 -0.452 0.000 1.122 232 V CA 0.813 62.869 62.300 -0.406 0.000 1.141 232 V CB -0.842 30.639 31.823 -0.569 0.000 0.735 232 V HN -0.089 nan 8.190 nan 0.000 0.498 233 F N 1.532 121.487 119.950 0.007 0.000 2.440 233 F HA 0.656 5.184 4.527 0.001 0.000 0.328 233 F C 1.182 177.007 175.800 0.042 0.000 1.070 233 F CA -0.603 57.406 58.000 0.015 0.000 1.011 233 F CB 1.210 40.216 39.000 0.010 0.000 1.226 233 F HN 0.114 nan 8.300 nan 0.000 0.491 234 S N 1.486 117.333 115.700 0.245 0.000 2.560 234 S HA -0.062 4.408 4.470 0.001 0.000 0.276 234 S C 1.170 175.855 174.600 0.141 0.000 1.350 234 S CA -0.532 57.757 58.200 0.147 0.000 1.024 234 S CB 0.244 63.499 63.200 0.092 0.000 0.864 234 S HN 0.644 nan 8.310 nan 0.000 0.536 235 I N 1.847 122.483 120.570 0.110 0.000 2.179 235 I HA -0.116 4.054 4.170 0.001 0.000 0.242 235 I C 2.034 178.210 176.117 0.098 0.000 1.088 235 I CA 1.857 63.227 61.300 0.116 0.000 1.357 235 I CB -1.031 37.025 38.000 0.092 0.000 1.051 235 I HN 0.865 nan 8.210 nan 0.000 0.409 236 E N 1.080 121.315 120.200 0.059 0.000 2.150 236 E HA -0.048 4.302 4.350 0.001 0.000 0.193 236 E C 2.179 178.781 176.600 0.002 0.000 0.985 236 E CA 1.266 57.680 56.400 0.023 0.000 0.814 236 E CB -0.770 28.935 29.700 0.008 0.000 0.752 236 E HN 0.584 nan 8.360 nan 0.000 0.466 237 A N 1.149 123.988 122.820 0.032 0.000 1.897 237 A HA -0.224 4.097 4.320 0.001 0.000 0.215 237 A C 2.072 179.646 177.584 -0.017 0.000 1.181 237 A CA 1.260 53.304 52.037 0.012 0.000 0.620 237 A CB -0.433 18.595 19.000 0.047 0.000 0.821 237 A HN 0.191 nan 8.150 nan 0.000 0.443 238 Q N -0.260 119.579 119.800 0.065 0.000 2.012 238 Q HA -0.210 4.131 4.340 0.001 0.000 0.211 238 Q C -0.367 175.558 176.000 -0.125 0.000 1.009 238 Q CA 2.250 58.110 55.803 0.095 0.000 0.866 238 Q CB -1.405 27.498 28.738 0.275 0.000 0.945 238 Q HN 0.576 nan 8.270 nan 0.000 0.414 239 P HA -0.168 nan 4.420 nan 0.000 0.215 239 P C 1.408 178.505 177.300 -0.338 0.000 1.157 239 P CA 1.448 64.028 63.100 -0.867 0.000 0.863 239 P CB -0.198 30.839 31.700 -1.104 0.000 0.787 240 I N -0.404 120.027 120.570 -0.233 0.000 2.163 240 I HA -0.243 3.928 4.170 0.001 0.000 0.243 240 I C 2.741 178.701 176.117 -0.261 0.000 1.085 240 I CA 1.500 62.670 61.300 -0.215 0.000 1.347 240 I CB -0.674 37.200 38.000 -0.209 0.000 1.044 240 I HN -0.181 nan 8.210 nan 0.000 0.408 241 I N 0.412 120.860 120.570 -0.205 0.000 2.226 241 I HA -0.298 3.872 4.170 0.001 0.000 0.245 241 I C 2.622 178.708 176.117 -0.052 0.000 1.100 241 I CA 1.508 62.706 61.300 -0.170 0.000 1.374 241 I CB -0.383 37.474 38.000 -0.238 0.000 1.057 241 I HN 0.315 nan 8.210 nan 0.000 0.413 242 E N 1.164 121.353 120.200 -0.020 0.000 2.051 242 E HA -0.275 4.076 4.350 0.001 0.000 0.192 242 E C 2.208 178.871 176.600 0.105 0.000 0.991 242 E CA 1.254 57.705 56.400 0.085 0.000 0.799 242 E CB -0.052 29.704 29.700 0.093 0.000 0.748 242 E HN 0.302 nan 8.360 nan 0.000 0.449 243 L N 0.723 121.968 121.223 0.037 0.000 2.046 243 L HA -0.063 4.277 4.340 0.001 0.000 0.208 243 L C 2.219 179.138 176.870 0.083 0.000 1.077 243 L CA 2.138 57.033 54.840 0.091 0.000 0.747 243 L CB -0.774 41.363 42.059 0.130 0.000 0.896 243 L HN 0.208 nan 8.230 nan 0.000 0.432 244 A N -0.411 122.410 122.820 0.002 0.000 1.883 244 A HA -0.140 4.180 4.320 0.001 0.000 0.217 244 A C 2.446 180.166 177.584 0.226 0.000 1.186 244 A CA 2.071 54.153 52.037 0.074 0.000 0.624 244 A CB -1.210 17.741 19.000 -0.081 0.000 0.822 244 A HN 0.579 nan 8.150 nan 0.000 0.444 245 A N -0.671 122.282 122.820 0.222 0.000 1.897 245 A HA -0.090 4.230 4.320 0.001 0.000 0.215 245 A C 2.268 179.975 177.584 0.205 0.000 1.181 245 A CA 1.267 53.487 52.037 0.306 0.000 0.620 245 A CB -0.424 18.846 19.000 0.449 0.000 0.821 245 A HN 0.480 nan 8.150 nan 0.000 0.443 246 R N -0.562 120.058 120.500 0.199 0.000 2.092 246 R HA 0.022 4.362 4.340 0.001 0.000 0.231 246 R C 1.961 178.271 176.300 0.016 0.000 1.119 246 R CA 1.268 57.407 56.100 0.064 0.000 0.970 246 R CB -0.505 29.886 30.300 0.150 0.000 0.864 246 R HN 0.556 nan 8.270 nan 0.000 0.440 247 I N -0.300 120.310 120.570 0.067 0.000 2.361 247 I HA -0.306 3.865 4.170 0.001 0.000 0.251 247 I C 2.005 178.111 176.117 -0.018 0.000 1.133 247 I CA 1.396 62.706 61.300 0.017 0.000 1.413 247 I CB -0.177 37.843 38.000 0.034 0.000 1.073 247 I HN 0.150 nan 8.210 nan 0.000 0.424 248 Y N 0.307 120.557 120.300 -0.083 0.000 2.314 248 Y HA -0.065 4.486 4.550 0.001 0.000 0.294 248 Y C 2.319 178.161 175.900 -0.096 0.000 1.119 248 Y CA 1.135 59.177 58.100 -0.097 0.000 1.179 248 Y CB 0.191 38.638 38.460 -0.023 0.000 1.025 248 Y HN -0.006 nan 8.280 nan 0.000 0.541 249 I N 0.210 120.767 120.570 -0.023 0.000 2.614 249 I HA -0.231 3.939 4.170 0.001 0.000 0.258 249 I C 2.046 178.065 176.117 -0.164 0.000 1.189 249 I CA 1.306 62.494 61.300 -0.186 0.000 1.462 249 I CB 0.016 37.652 38.000 -0.606 0.000 1.092 249 I HN 0.209 nan 8.210 nan 0.000 0.442 250 E N 1.315 121.428 120.200 -0.145 0.000 2.209 250 E HA -0.227 4.123 4.350 0.001 0.000 0.196 250 E C 1.906 178.432 176.600 -0.122 0.000 0.993 250 E CA 1.300 57.627 56.400 -0.121 0.000 0.819 250 E CB -0.392 29.239 29.700 -0.114 0.000 0.745 250 E HN 0.599 nan 8.360 nan 0.000 0.477 251 I N 0.204 120.683 120.570 -0.151 0.000 2.530 251 I HA -0.279 3.891 4.170 0.001 0.000 0.257 251 I C 1.907 178.005 176.117 -0.031 0.000 1.179 251 I CA 0.683 61.897 61.300 -0.143 0.000 1.440 251 I CB -0.230 37.625 38.000 -0.242 0.000 1.087 251 I HN 0.224 nan 8.210 nan 0.000 0.440 252 L N -0.058 121.181 121.223 0.027 0.000 2.044 252 L HA -0.198 4.142 4.340 0.001 0.000 0.205 252 L C 2.078 178.993 176.870 0.076 0.000 1.075 252 L CA 1.267 56.221 54.840 0.189 0.000 0.747 252 L CB -0.688 41.485 42.059 0.189 0.000 0.903 252 L HN 0.181 nan 8.230 nan 0.000 0.435 253 D N -0.131 120.262 120.400 -0.012 0.000 2.178 253 D HA -0.160 4.480 4.640 0.001 0.000 0.201 253 D C 2.216 178.434 176.300 -0.137 0.000 0.980 253 D CA 0.882 54.841 54.000 -0.068 0.000 0.842 253 D CB 0.052 40.814 40.800 -0.063 0.000 0.948 253 D HN 0.262 nan 8.370 nan 0.000 0.472 254 E N 0.025 120.139 120.200 -0.142 0.000 2.107 254 E HA -0.058 4.292 4.350 0.001 0.000 0.191 254 E C 2.352 178.829 176.600 -0.204 0.000 0.982 254 E CA 0.277 56.569 56.400 -0.181 0.000 0.809 254 E CB -0.084 29.500 29.700 -0.193 0.000 0.756 254 E HN 0.195 nan 8.360 nan 0.000 0.459 255 V N 1.526 121.315 119.914 -0.209 0.000 2.427 255 V HA -0.213 3.907 4.120 0.001 0.000 0.248 255 V C 2.390 178.101 176.094 -0.637 0.000 1.051 255 V CA 1.500 63.603 62.300 -0.329 0.000 1.048 255 V CB -0.426 31.229 31.823 -0.279 0.000 0.666 255 V HN 0.160 nan 8.190 nan 0.000 0.456 256 R N -0.345 119.756 120.500 -0.665 0.000 2.075 256 R HA -0.179 4.162 4.340 0.001 0.000 0.230 256 R C 2.465 178.516 176.300 -0.414 0.000 1.140 256 R CA 1.715 57.353 56.100 -0.770 0.000 0.928 256 R CB -0.496 29.555 30.300 -0.415 0.000 0.834 256 R HN 0.510 nan 8.270 nan 0.000 0.429 257 Q N -0.164 119.483 119.800 -0.255 0.000 2.173 257 Q HA -0.172 4.168 4.340 0.001 0.000 0.208 257 Q C 1.440 177.355 176.000 -0.142 0.000 0.989 257 Q CA 1.738 57.443 55.803 -0.163 0.000 0.872 257 Q CB -0.080 28.571 28.738 -0.145 0.000 0.909 257 Q HN 0.353 nan 8.270 nan 0.000 0.420 258 A N 0.484 123.200 122.820 -0.172 0.000 2.370 258 A HA 0.048 4.368 4.320 0.001 0.000 0.238 258 A C -0.053 177.479 177.584 -0.086 0.000 1.289 258 A CA -0.228 51.743 52.037 -0.111 0.000 0.885 258 A CB 0.033 18.976 19.000 -0.095 0.000 0.961 258 A HN 0.413 nan 8.150 nan 0.000 0.499 259 N N -0.634 118.003 118.700 -0.104 0.000 2.740 259 N HA -0.243 4.497 4.740 0.001 0.000 0.248 259 N C -0.816 174.816 175.510 0.204 0.000 1.062 259 N CA 1.292 54.383 53.050 0.067 0.000 0.704 259 N CB -1.992 36.543 38.487 0.081 0.000 0.968 259 N HN 0.708 nan 8.380 nan 0.000 0.547 260 Y N -3.175 117.012 120.300 -0.187 0.000 3.589 260 Y HA -0.284 4.267 4.550 0.001 0.000 0.218 260 Y C 1.186 177.038 175.900 -0.081 0.000 1.234 260 Y CA 1.026 59.002 58.100 -0.207 0.000 1.576 260 Y CB -2.380 36.004 38.460 -0.127 0.000 1.487 260 Y HN 0.285 nan 8.280 nan 0.000 0.616 261 T N 1.008 115.577 114.554 0.026 0.000 2.934 261 T HA 0.140 4.491 4.350 0.001 0.000 0.306 261 T C 0.998 175.719 174.700 0.036 0.000 1.042 261 T CA -0.120 62.007 62.100 0.044 0.000 1.145 261 T CB 0.388 69.283 68.868 0.045 0.000 0.982 261 T HN 0.426 nan 8.240 nan 0.000 0.544 262 L N 4.374 125.583 121.223 -0.023 0.000 2.667 262 L HA 0.217 4.558 4.340 0.001 0.000 0.232 262 L C 0.691 177.326 176.870 -0.392 0.000 1.138 262 L CA 0.538 55.293 54.840 -0.141 0.000 0.921 262 L CB -0.521 41.424 42.059 -0.189 0.000 1.180 262 L HN 0.835 nan 8.230 nan 0.000 0.487 263 H N -1.304 117.787 119.070 0.034 0.000 2.923 263 H HA 0.344 4.900 4.556 0.001 0.000 0.268 263 H C -0.159 175.192 175.328 0.038 0.000 1.148 263 H CA -0.051 56.011 56.048 0.023 0.000 1.146 263 H CB 1.120 30.841 29.762 -0.068 0.000 1.607 263 H HN 0.176 nan 8.280 nan 0.000 0.566 264 E N 0.785 121.044 120.200 0.097 0.000 2.383 264 E HA 0.308 4.658 4.350 0.001 0.000 0.275 264 E C -0.841 175.804 176.600 0.075 0.000 0.918 264 E CA -1.027 55.423 56.400 0.084 0.000 0.764 264 E CB 2.944 32.693 29.700 0.081 0.000 1.252 264 E HN 0.055 nan 8.360 nan 0.000 0.449 265 R N 2.327 122.873 120.500 0.076 0.000 2.233 265 R HA 0.228 4.568 4.340 0.001 0.000 0.334 265 R C 0.219 176.592 176.300 0.123 0.000 1.037 265 R CA -0.386 55.761 56.100 0.078 0.000 0.920 265 R CB 0.226 30.558 30.300 0.054 0.000 1.137 265 R HN 0.407 nan 8.270 nan 0.000 0.492 266 V N 2.414 122.389 119.914 0.101 0.000 3.681 266 V HA 0.509 4.629 4.120 0.001 0.000 0.298 266 V C -0.087 176.124 176.094 0.195 0.000 1.097 266 V CA -0.038 62.328 62.300 0.109 0.000 1.125 266 V CB 0.180 31.986 31.823 -0.029 0.000 1.140 266 V HN 0.719 nan 8.190 nan 0.000 0.476 267 F N -1.845 118.048 119.950 -0.094 0.000 2.817 267 F HA 0.772 5.299 4.527 0.001 0.000 0.317 267 F C -1.252 174.471 175.800 -0.128 0.000 1.168 267 F CA -1.352 56.576 58.000 -0.121 0.000 0.911 267 F CB 1.417 40.356 39.000 -0.102 0.000 1.337 267 F HN 0.379 nan 8.300 nan 0.000 0.464 268 V N 1.866 121.695 119.914 -0.142 0.000 2.313 268 V HA 0.272 4.392 4.120 0.001 0.000 0.278 268 V C -0.214 175.822 176.094 -0.096 0.000 1.017 268 V CA -0.596 61.558 62.300 -0.243 0.000 0.823 268 V CB 0.865 32.579 31.823 -0.182 0.000 1.010 268 V HN 0.761 nan 8.190 nan 0.000 0.443 269 E N 2.984 123.071 120.200 -0.188 0.000 2.534 269 E HA -0.113 4.237 4.350 0.001 0.000 0.264 269 E C 1.214 177.781 176.600 -0.056 0.000 0.981 269 E CA 0.240 56.662 56.400 0.037 0.000 0.948 269 E CB 0.603 30.291 29.700 -0.020 0.000 0.934 269 E HN 0.573 nan 8.360 nan 0.000 0.459 270 K N 3.090 123.463 120.400 -0.046 0.000 2.218 270 K HA -0.279 4.041 4.320 0.001 0.000 0.205 270 K C 1.908 178.391 176.600 -0.194 0.000 1.046 270 K CA 1.487 57.658 56.287 -0.192 0.000 0.933 270 K CB 0.079 32.512 32.500 -0.111 0.000 0.728 270 K HN 0.214 nan 8.250 nan 0.000 0.454 271 R N 1.281 121.728 120.500 -0.089 0.000 2.115 271 R HA -0.070 4.271 4.340 0.001 0.000 0.230 271 R C 1.852 178.111 176.300 -0.068 0.000 1.111 271 R CA 1.666 57.731 56.100 -0.058 0.000 0.976 271 R CB -0.092 30.190 30.300 -0.031 0.000 0.870 271 R HN 0.108 nan 8.270 nan 0.000 0.445 272 K N 0.035 120.376 120.400 -0.098 0.000 2.116 272 K HA -0.013 4.307 4.320 0.001 0.000 0.203 272 K C 1.633 178.179 176.600 -0.090 0.000 1.052 272 K CA 1.121 57.357 56.287 -0.085 0.000 0.952 272 K CB 0.126 32.559 32.500 -0.110 0.000 0.729 272 K HN 0.075 nan 8.250 nan 0.000 0.446 273 K N -0.014 120.262 120.400 -0.207 0.000 2.103 273 K HA -0.145 4.175 4.320 0.001 0.000 0.207 273 K C 2.032 178.582 176.600 -0.084 0.000 1.048 273 K CA 1.317 57.419 56.287 -0.309 0.000 0.930 273 K CB -0.106 31.844 32.500 -0.917 0.000 0.716 273 K HN 0.163 nan 8.250 nan 0.000 0.444 274 A N 1.646 124.440 122.820 -0.044 0.000 1.930 274 A HA -0.189 4.131 4.320 0.001 0.000 0.217 274 A C 2.052 179.786 177.584 0.250 0.000 1.175 274 A CA 1.621 53.790 52.037 0.219 0.000 0.627 274 A CB -0.291 18.802 19.000 0.155 0.000 0.815 274 A HN 0.192 nan 8.150 nan 0.000 0.443 275 K N -0.106 120.366 120.400 0.120 0.000 2.026 275 K HA -0.027 4.293 4.320 0.001 0.000 0.208 275 K C 1.793 178.496 176.600 0.172 0.000 1.048 275 K CA 1.438 57.792 56.287 0.111 0.000 0.929 275 K CB -0.399 32.123 32.500 0.036 0.000 0.713 275 K HN 0.422 nan 8.250 nan 0.000 0.439 276 L N -0.023 121.288 121.223 0.147 0.000 2.056 276 L HA -0.113 4.228 4.340 0.001 0.000 0.207 276 L C 2.291 179.298 176.870 0.230 0.000 1.078 276 L CA 1.255 56.187 54.840 0.152 0.000 0.749 276 L CB -0.410 41.716 42.059 0.111 0.000 0.901 276 L HN 0.264 nan 8.230 nan 0.000 0.433 277 F N -0.007 120.022 119.950 0.132 0.000 2.120 277 F HA -0.359 4.168 4.527 0.001 0.000 0.300 277 F C 2.623 178.496 175.800 0.121 0.000 1.095 277 F CA 1.807 59.889 58.000 0.138 0.000 1.249 277 F CB -0.044 39.083 39.000 0.210 0.000 0.995 277 F HN 0.131 nan 8.300 nan 0.000 0.480 278 H N 0.522 119.602 119.070 0.017 0.000 2.270 278 H HA -0.167 4.390 4.556 0.001 0.000 0.299 278 H C 2.036 177.316 175.328 -0.080 0.000 1.077 278 H CA 2.473 58.463 56.048 -0.096 0.000 1.294 278 H CB -0.415 29.351 29.762 0.006 0.000 1.371 278 H HN 0.359 nan 8.280 nan 0.000 0.491 279 E N -0.384 119.851 120.200 0.059 0.000 2.331 279 E HA -0.148 4.203 4.350 0.001 0.000 0.199 279 E C 1.901 178.499 176.600 -0.003 0.000 1.008 279 E CA 1.184 57.597 56.400 0.022 0.000 0.843 279 E CB 0.083 29.833 29.700 0.083 0.000 0.761 279 E HN 0.618 nan 8.360 nan 0.000 0.507 280 I N 0.122 120.683 120.570 -0.016 0.000 2.810 280 I HA -0.075 4.095 4.170 0.001 0.000 0.262 280 I C 1.587 177.726 176.117 0.035 0.000 1.131 280 I CA 0.197 61.529 61.300 0.053 0.000 1.453 280 I CB -0.072 37.964 38.000 0.060 0.000 1.161 280 I HN -0.059 nan 8.210 nan 0.000 0.444 281 N N 1.027 119.597 118.700 -0.217 0.000 2.519 281 N HA -0.136 4.604 4.740 0.001 0.000 0.186 281 N C 1.955 177.374 175.510 -0.152 0.000 1.062 281 N CA 1.303 54.194 53.050 -0.265 0.000 0.910 281 N CB -0.044 38.072 38.487 -0.617 0.000 0.958 281 N HN 0.401 nan 8.380 nan 0.000 0.445 282 S N 0.673 116.271 115.700 -0.170 0.000 2.325 282 S HA -0.101 4.370 4.470 0.001 0.000 0.213 282 S C 1.650 176.221 174.600 -0.048 0.000 1.031 282 S CA 0.735 58.850 58.200 -0.141 0.000 0.984 282 S CB -0.470 62.638 63.200 -0.152 0.000 0.939 282 S HN 0.125 nan 8.310 nan 0.000 0.438 283 K N 0.492 120.882 120.400 -0.016 0.000 2.259 283 K HA -0.138 4.182 4.320 0.001 0.000 0.206 283 K C 0.040 176.538 176.600 -0.171 0.000 1.044 283 K CA 1.532 57.772 56.287 -0.079 0.000 0.931 283 K CB -0.374 32.097 32.500 -0.048 0.000 0.726 283 K HN 0.506 nan 8.250 nan 0.000 0.467 284 Y N 0.000 120.252 120.300 -0.080 0.000 2.660 284 Y HA 0.000 4.550 4.550 0.001 0.000 0.201 284 Y CA 0.000 58.062 58.100 -0.064 0.000 1.940 284 Y CB 0.000 38.428 38.460 -0.053 0.000 1.050 284 Y HN 0.000 nan 8.280 nan 0.000 0.758