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 3a7h_1_B DATA FIRST_RESID 8 DATA SEQUENCE SGLPGMQNLK ADPEELFTKL EKIGKGSFGE VFKGIDNRTQ KVVAIKIIDL DATA SEQUENCE EEAEDEIEDI QQEITVLSQC DSPYVTKYYG SYLKDTKLWI IMEYLGGGSA DATA SEQUENCE LDLLEPGPLD ETQIATILRE ILKGLDYLHS EKKIHRDIKA ANVLLSEHGE DATA SEQUENCE VKLADFGVAG QLTDTQIKRN XFVGTPFWMA PEVIKQSAYD SKADIWSLGI DATA SEQUENCE TAIELARGEP PHSELHPMKV LFLIPKNNPP TLEGNYSKPL KEFVEACLNK DATA SEQUENCE EPSFRPTAKE LLKHKFILRN AKKTSYLTEL IDRYKRWKAE Q 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 8 S HA 0.000 nan 4.470 nan 0.000 0.327 8 S C 0.000 174.604 174.600 0.007 0.000 1.055 8 S CA 0.000 58.203 58.200 0.005 0.000 1.107 8 S CB 0.000 63.204 63.200 0.006 0.000 0.593 9 G N 1.064 109.868 108.800 0.007 0.000 2.497 9 G HA2 0.254 4.217 3.960 0.005 0.000 0.686 9 G HA3 0.254 4.217 3.960 0.005 0.000 0.686 9 G C -1.192 173.715 174.900 0.012 0.000 1.288 9 G CA -0.574 44.532 45.100 0.010 0.000 0.899 9 G HN 1.075 nan 8.290 nan 0.000 0.608 10 L N 2.138 123.372 121.223 0.017 0.000 2.325 10 L HA 0.560 4.903 4.340 0.005 0.000 0.284 10 L C -1.666 175.230 176.870 0.044 0.000 1.089 10 L CA -1.637 53.216 54.840 0.022 0.000 0.836 10 L CB 0.397 42.475 42.059 0.032 0.000 1.184 10 L HN 0.384 nan 8.230 nan 0.000 0.444 11 P HA 0.221 nan 4.420 nan 0.000 0.265 11 P C 0.666 178.088 177.300 0.204 0.000 1.193 11 P CA 0.730 63.883 63.100 0.087 0.000 0.765 11 P CB 0.665 32.405 31.700 0.067 0.000 0.823 12 G N 1.645 110.538 108.800 0.154 0.000 2.179 12 G HA2 -0.317 3.646 3.960 0.005 0.000 0.260 12 G HA3 -0.317 3.646 3.960 0.005 0.000 0.260 12 G C 0.223 175.134 174.900 0.018 0.000 0.977 12 G CA 0.150 45.320 45.100 0.116 0.000 0.641 12 G HN 0.581 nan 8.290 nan 0.000 0.533 13 M N 1.936 121.557 119.600 0.034 0.000 2.260 13 M HA 0.398 4.881 4.480 0.005 0.000 0.348 13 M C 0.608 176.834 176.300 -0.123 0.000 1.342 13 M CA 0.192 55.471 55.300 -0.035 0.000 1.040 13 M CB 0.425 33.027 32.600 0.002 0.000 1.810 13 M HN 0.282 nan 8.290 nan 0.000 0.453 14 Q N 3.184 122.826 119.800 -0.264 0.000 2.204 14 Q HA 0.263 4.606 4.340 0.005 0.000 0.254 14 Q C -0.549 175.387 176.000 -0.108 0.000 0.981 14 Q CA -0.710 54.935 55.803 -0.264 0.000 0.897 14 Q CB 0.544 28.920 28.738 -0.604 0.000 1.273 14 Q HN 0.826 nan 8.270 nan 0.000 0.464 15 N N 1.025 119.702 118.700 -0.040 0.000 2.301 15 N HA -0.121 4.622 4.740 0.005 0.000 0.267 15 N C 0.867 176.399 175.510 0.036 0.000 1.304 15 N CA -0.242 52.811 53.050 0.006 0.000 0.851 15 N CB 0.402 38.899 38.487 0.017 0.000 1.070 15 N HN 0.384 nan 8.380 nan 0.000 0.483 16 L N 2.912 124.151 121.223 0.028 0.000 2.447 16 L HA -0.141 4.202 4.340 0.005 0.000 0.225 16 L C 1.972 178.861 176.870 0.032 0.000 1.148 16 L CA 1.419 56.281 54.840 0.037 0.000 0.808 16 L CB -0.899 41.175 42.059 0.025 0.000 0.928 16 L HN 0.648 nan 8.230 nan 0.000 0.448 17 K N 0.562 120.977 120.400 0.026 0.000 2.217 17 K HA 0.081 4.404 4.320 0.005 0.000 0.202 17 K C 0.868 177.476 176.600 0.013 0.000 1.051 17 K CA 0.381 56.676 56.287 0.013 0.000 0.952 17 K CB -0.116 32.388 32.500 0.007 0.000 0.736 17 K HN 0.211 nan 8.250 nan 0.000 0.453 18 A N 1.443 124.295 122.820 0.052 0.000 2.454 18 A HA 0.095 4.418 4.320 0.005 0.000 0.260 18 A C -0.658 176.933 177.584 0.012 0.000 1.106 18 A CA -0.232 51.844 52.037 0.065 0.000 0.780 18 A CB 0.084 19.216 19.000 0.219 0.000 1.044 18 A HN 0.211 nan 8.150 nan 0.000 0.498 19 D N 4.122 124.461 120.400 -0.102 0.000 2.412 19 D HA 0.303 4.946 4.640 0.005 0.000 0.224 19 D C -1.340 174.738 176.300 -0.371 0.000 1.093 19 D CA -2.089 51.790 54.000 -0.202 0.000 0.850 19 D CB 1.306 42.007 40.800 -0.165 0.000 1.046 19 D HN 0.235 nan 8.370 nan 0.000 0.507 20 P HA -0.173 nan 4.420 nan 0.000 0.218 20 P C 0.698 177.537 177.300 -0.768 0.000 1.146 20 P CA 1.011 63.607 63.100 -0.840 0.000 0.813 20 P CB 0.496 31.369 31.700 -1.377 0.000 0.778 21 E N -0.036 119.731 120.200 -0.722 0.000 2.274 21 E HA -0.126 4.227 4.350 0.005 0.000 0.194 21 E C 1.863 178.354 176.600 -0.182 0.000 0.996 21 E CA 0.748 56.939 56.400 -0.350 0.000 0.840 21 E CB -0.055 29.526 29.700 -0.197 0.000 0.772 21 E HN 0.527 nan 8.360 nan 0.000 0.491 22 E N 0.284 120.350 120.200 -0.224 0.000 2.166 22 E HA 0.021 4.374 4.350 0.005 0.000 0.192 22 E C 2.113 178.570 176.600 -0.238 0.000 0.967 22 E CA 0.184 56.477 56.400 -0.178 0.000 0.840 22 E CB 0.209 29.812 29.700 -0.160 0.000 0.795 22 E HN 0.204 nan 8.360 nan 0.000 0.470 23 L N 0.051 121.063 121.223 -0.353 0.000 2.217 23 L HA 0.049 4.392 4.340 0.005 0.000 0.211 23 L C 0.327 176.706 176.870 -0.819 0.000 1.107 23 L CA 0.712 55.183 54.840 -0.614 0.000 0.783 23 L CB -0.010 41.538 42.059 -0.851 0.000 0.919 23 L HN -0.021 nan 8.230 nan 0.000 0.442 24 F N -1.461 118.389 119.950 -0.167 0.000 2.576 24 F HA 0.338 4.868 4.527 0.005 0.000 0.313 24 F C 0.209 176.016 175.800 0.011 0.000 1.078 24 F CA -0.784 57.190 58.000 -0.043 0.000 0.921 24 F CB 1.756 40.793 39.000 0.063 0.000 1.232 24 F HN -0.435 nan 8.300 nan 0.000 0.459 25 T N 2.115 116.785 114.554 0.193 0.000 2.749 25 T HA 0.248 4.601 4.350 0.005 0.000 0.287 25 T C -0.439 174.341 174.700 0.133 0.000 0.970 25 T CA -0.708 61.462 62.100 0.116 0.000 0.980 25 T CB 0.744 69.641 68.868 0.048 0.000 0.924 25 T HN 0.444 nan 8.240 nan 0.000 0.456 26 K N 4.867 125.324 120.400 0.096 0.000 2.227 26 K HA 0.511 4.834 4.320 0.005 0.000 0.280 26 K C -0.306 176.293 176.600 -0.001 0.000 1.041 26 K CA -0.499 55.784 56.287 -0.006 0.000 0.905 26 K CB 0.439 32.825 32.500 -0.189 0.000 1.068 26 K HN 0.503 nan 8.250 nan 0.000 0.470 27 L N 1.731 122.981 121.223 0.046 0.000 2.731 27 L HA 0.318 4.661 4.340 0.005 0.000 0.199 27 L C 0.555 177.518 176.870 0.154 0.000 1.976 27 L CA -0.989 53.889 54.840 0.064 0.000 2.802 27 L CB -0.061 42.018 42.059 0.033 0.000 2.882 27 L HN 0.733 nan 8.230 nan 0.000 0.651 28 E N 1.885 122.169 120.200 0.139 0.000 2.390 28 E HA -0.001 4.352 4.350 0.005 0.000 0.261 28 E C -0.740 175.977 176.600 0.195 0.000 1.076 28 E CA -0.378 56.127 56.400 0.173 0.000 0.905 28 E CB 0.861 30.612 29.700 0.085 0.000 0.984 28 E HN 0.304 nan 8.360 nan 0.000 0.427 29 K N 2.858 123.306 120.400 0.079 0.000 2.416 29 K HA 0.065 4.388 4.320 0.005 0.000 0.283 29 K C 0.865 177.352 176.600 -0.188 0.000 1.037 29 K CA -0.030 56.050 56.287 -0.346 0.000 0.995 29 K CB 0.059 32.331 32.500 -0.379 0.000 0.938 29 K HN 0.690 nan 8.250 nan 0.000 0.475 30 I N 0.529 120.974 120.570 -0.208 0.000 4.154 30 I HA 0.411 4.584 4.170 0.005 0.000 0.334 30 I C 0.431 176.493 176.117 -0.091 0.000 1.371 30 I CA -0.570 60.690 61.300 -0.067 0.000 1.110 30 I CB 0.826 38.859 38.000 0.055 0.000 1.085 30 I HN 0.606 nan 8.210 nan 0.000 0.398 31 G N 1.732 110.422 108.800 -0.183 0.000 2.368 31 G HA2 0.344 4.307 3.960 0.005 0.000 0.293 31 G HA3 0.344 4.307 3.960 0.005 0.000 0.293 31 G C -2.033 172.753 174.900 -0.191 0.000 1.467 31 G CA -0.642 44.371 45.100 -0.144 0.000 0.804 31 G HN 0.064 nan 8.290 nan 0.000 0.535 32 K N 0.936 121.259 120.400 -0.129 0.000 2.740 32 K HA 0.514 4.837 4.320 0.005 0.000 0.246 32 K C 0.482 177.030 176.600 -0.086 0.000 1.021 32 K CA 0.056 56.275 56.287 -0.113 0.000 1.021 32 K CB 0.853 33.298 32.500 -0.091 0.000 1.233 32 K HN 0.926 nan 8.250 nan 0.000 0.497 33 G N 1.304 110.049 108.800 -0.092 0.000 2.679 33 G HA2 0.018 3.981 3.960 0.005 0.000 0.202 33 G HA3 0.018 3.981 3.960 0.005 0.000 0.202 33 G C 0.659 175.483 174.900 -0.126 0.000 1.566 33 G CA 0.037 45.066 45.100 -0.118 0.000 1.074 33 G HN 0.526 nan 8.290 nan 0.000 0.564 34 S N -0.971 114.577 115.700 -0.253 0.000 2.478 34 S HA 0.178 4.651 4.470 0.005 0.000 0.222 34 S C 1.673 176.280 174.600 0.011 0.000 1.008 34 S CA 0.572 58.607 58.200 -0.274 0.000 0.928 34 S CB -0.080 62.746 63.200 -0.624 0.000 0.781 34 S HN 0.451 nan 8.310 nan 0.000 0.518 35 F N 1.018 120.960 119.950 -0.013 0.000 2.537 35 F HA 0.418 4.948 4.527 0.004 0.000 0.277 35 F C 1.721 177.519 175.800 -0.003 0.000 1.013 35 F CA -0.259 57.738 58.000 -0.005 0.000 1.332 35 F CB 0.177 39.175 39.000 -0.002 0.000 1.108 35 F HN 0.307 nan 8.300 nan 0.000 0.679 36 G N 0.017 108.927 108.800 0.183 0.000 3.243 36 G HA2 0.526 4.489 3.960 0.005 0.000 0.248 36 G HA3 0.526 4.489 3.960 0.005 0.000 0.248 36 G C -1.417 173.496 174.900 0.022 0.000 1.267 36 G CA -0.530 44.628 45.100 0.098 0.000 0.906 36 G HN -0.037 nan 8.290 nan 0.000 0.592 37 E N -0.814 119.385 120.200 -0.003 0.000 2.244 37 E HA 0.553 4.906 4.350 0.005 0.000 0.266 37 E C -1.299 175.189 176.600 -0.188 0.000 0.914 37 E CA -0.743 55.572 56.400 -0.142 0.000 0.794 37 E CB 2.859 32.450 29.700 -0.181 0.000 1.210 37 E HN 0.157 nan 8.360 nan 0.000 0.414 38 V N 2.508 122.207 119.914 -0.358 0.000 2.495 38 V HA 0.464 4.587 4.120 0.005 0.000 0.298 38 V C -0.909 174.920 176.094 -0.442 0.000 1.031 38 V CA -0.684 61.474 62.300 -0.236 0.000 0.871 38 V CB 0.418 32.177 31.823 -0.106 0.000 0.988 38 V HN 0.502 nan 8.190 nan 0.000 0.432 39 F N 1.964 121.881 119.950 -0.055 0.000 2.577 39 F HA 0.571 5.102 4.527 0.005 0.000 0.318 39 F C 0.173 175.971 175.800 -0.003 0.000 1.065 39 F CA -1.037 56.937 58.000 -0.043 0.000 0.929 39 F CB 1.901 40.836 39.000 -0.109 0.000 1.237 39 F HN 0.311 nan 8.300 nan 0.000 0.468 40 K N 0.917 121.434 120.400 0.194 0.000 2.298 40 K HA 0.671 4.994 4.320 0.005 0.000 0.280 40 K C -0.197 176.428 176.600 0.043 0.000 1.032 40 K CA -0.116 56.193 56.287 0.036 0.000 0.958 40 K CB 0.696 33.146 32.500 -0.083 0.000 0.978 40 K HN 0.899 nan 8.250 nan 0.000 0.472 41 G N 2.769 111.569 108.800 0.000 0.000 2.708 41 G HA2 0.555 4.518 3.960 0.005 0.000 0.289 41 G HA3 0.555 4.518 3.960 0.005 0.000 0.289 41 G C -1.616 173.321 174.900 0.062 0.000 1.416 41 G CA -0.688 44.449 45.100 0.061 0.000 0.829 41 G HN 0.432 nan 8.290 nan 0.000 0.480 42 I N 1.042 121.687 120.570 0.125 0.000 2.509 42 I HA 0.313 4.486 4.170 0.005 0.000 0.293 42 I C -0.995 175.232 176.117 0.184 0.000 1.020 42 I CA -1.035 60.323 61.300 0.098 0.000 1.088 42 I CB 1.843 39.863 38.000 0.032 0.000 1.267 42 I HN 0.455 nan 8.210 nan 0.000 0.430 43 D N 5.156 125.634 120.400 0.130 0.000 2.325 43 D HA 0.088 4.731 4.640 0.005 0.000 0.251 43 D C 0.786 176.996 176.300 -0.150 0.000 1.196 43 D CA -0.027 53.949 54.000 -0.040 0.000 0.866 43 D CB 0.911 41.702 40.800 -0.016 0.000 1.101 43 D HN 0.304 nan 8.370 nan 0.000 0.476 44 N N 3.495 122.045 118.700 -0.250 0.000 2.381 44 N HA -0.144 4.599 4.740 0.005 0.000 0.182 44 N C 1.614 177.027 175.510 -0.162 0.000 1.025 44 N CA 0.468 53.414 53.050 -0.173 0.000 0.888 44 N CB -0.034 38.343 38.487 -0.182 0.000 0.965 44 N HN 0.559 nan 8.380 nan 0.000 0.438 45 R N 0.609 120.986 120.500 -0.205 0.000 2.057 45 R HA -0.055 4.288 4.340 0.005 0.000 0.229 45 R C 1.895 178.130 176.300 -0.108 0.000 1.136 45 R CA 1.846 57.855 56.100 -0.151 0.000 0.952 45 R CB -0.186 30.015 30.300 -0.164 0.000 0.848 45 R HN 0.315 nan 8.270 nan 0.000 0.430 46 T N -2.635 111.855 114.554 -0.107 0.000 3.057 46 T HA 0.084 4.437 4.350 0.005 0.000 0.254 46 T C 0.598 175.263 174.700 -0.057 0.000 1.094 46 T CA -0.001 62.053 62.100 -0.077 0.000 1.088 46 T CB 0.471 69.290 68.868 -0.081 0.000 0.934 46 T HN 0.222 nan 8.240 nan 0.000 0.497 47 Q N -0.115 119.651 119.800 -0.057 0.000 2.424 47 Q HA -0.121 4.222 4.340 0.005 0.000 0.234 47 Q C -0.449 175.537 176.000 -0.024 0.000 0.748 47 Q CA 0.945 56.725 55.803 -0.037 0.000 1.286 47 Q CB -1.830 26.890 28.738 -0.031 0.000 1.494 47 Q HN 0.679 nan 8.270 nan 0.000 0.683 48 K N 0.186 120.571 120.400 -0.024 0.000 2.185 48 K HA 0.471 4.794 4.320 0.005 0.000 0.271 48 K C 0.335 176.942 176.600 0.012 0.000 1.013 48 K CA -0.404 55.877 56.287 -0.010 0.000 0.943 48 K CB 1.172 33.657 32.500 -0.025 0.000 0.998 48 K HN -0.131 nan 8.250 nan 0.000 0.468 49 V N 3.163 123.079 119.914 0.004 0.000 2.686 49 V HA 0.178 4.301 4.120 0.005 0.000 0.295 49 V C 0.220 176.353 176.094 0.065 0.000 1.055 49 V CA -0.372 61.907 62.300 -0.035 0.000 1.050 49 V CB 1.002 32.715 31.823 -0.183 0.000 0.984 49 V HN 0.603 nan 8.190 nan 0.000 0.482 50 V N 1.410 121.376 119.914 0.087 0.000 3.160 50 V HA 1.014 5.137 4.120 0.005 0.000 0.310 50 V C -0.213 176.005 176.094 0.206 0.000 1.181 50 V CA -1.061 61.368 62.300 0.215 0.000 1.047 50 V CB 1.882 33.846 31.823 0.234 0.000 1.068 50 V HN 1.050 nan 8.190 nan 0.000 0.441 51 A N 2.021 125.009 122.820 0.279 0.000 2.292 51 A HA 0.894 5.217 4.320 0.005 0.000 0.319 51 A C -0.573 177.099 177.584 0.147 0.000 1.206 51 A CA -0.589 51.601 52.037 0.255 0.000 0.835 51 A CB 0.332 19.485 19.000 0.254 0.000 1.164 51 A HN 0.875 nan 8.150 nan 0.000 0.505 52 I N 2.205 122.842 120.570 0.112 0.000 2.410 52 I HA 0.312 4.485 4.170 0.005 0.000 0.286 52 I C 0.044 176.196 176.117 0.059 0.000 1.009 52 I CA -0.349 60.972 61.300 0.036 0.000 1.111 52 I CB 1.827 39.779 38.000 -0.080 0.000 1.262 52 I HN 0.678 nan 8.210 nan 0.000 0.443 53 K N 7.686 128.115 120.400 0.048 0.000 2.240 53 K HA 0.614 4.937 4.320 0.005 0.000 0.271 53 K C -1.106 175.491 176.600 -0.005 0.000 1.018 53 K CA -0.401 55.911 56.287 0.042 0.000 0.874 53 K CB 0.981 33.517 32.500 0.059 0.000 1.098 53 K HN 0.573 nan 8.250 nan 0.000 0.458 54 I N 6.576 127.124 120.570 -0.036 0.000 2.362 54 I HA 0.343 4.516 4.170 0.005 0.000 0.289 54 I C -0.423 175.704 176.117 0.016 0.000 0.994 54 I CA -0.843 60.380 61.300 -0.127 0.000 1.158 54 I CB 1.409 39.180 38.000 -0.382 0.000 1.315 54 I HN 0.510 nan 8.210 nan 0.000 0.451 55 I N 4.930 125.537 120.570 0.062 0.000 2.465 55 I HA 0.237 4.410 4.170 0.005 0.000 0.291 55 I C -0.381 175.786 176.117 0.084 0.000 1.014 55 I CA -0.611 60.741 61.300 0.087 0.000 1.093 55 I CB 2.087 40.151 38.000 0.106 0.000 1.267 55 I HN 0.471 nan 8.210 nan 0.000 0.431 56 D N 6.778 127.219 120.400 0.068 0.000 2.393 56 D HA 0.192 4.835 4.640 0.005 0.000 0.232 56 D C 1.050 177.371 176.300 0.035 0.000 1.192 56 D CA -0.018 54.019 54.000 0.061 0.000 0.882 56 D CB 1.062 41.894 40.800 0.053 0.000 1.038 56 D HN 0.487 nan 8.370 nan 0.000 0.499 57 L N 2.557 123.804 121.223 0.040 0.000 2.349 57 L HA -0.127 4.216 4.340 0.005 0.000 0.220 57 L C 2.146 179.017 176.870 0.001 0.000 1.130 57 L CA 0.823 55.671 54.840 0.013 0.000 0.791 57 L CB -0.059 42.016 42.059 0.027 0.000 0.918 57 L HN 0.481 nan 8.230 nan 0.000 0.444 58 E N 0.674 120.883 120.200 0.014 0.000 2.051 58 E HA -0.153 4.200 4.350 0.005 0.000 0.189 58 E C 0.908 177.507 176.600 -0.001 0.000 0.979 58 E CA 0.603 57.008 56.400 0.009 0.000 0.803 58 E CB 0.224 29.936 29.700 0.020 0.000 0.761 58 E HN 0.498 nan 8.360 nan 0.000 0.451 59 E N 0.342 120.544 120.200 0.003 0.000 2.330 59 E HA 0.226 4.579 4.350 0.005 0.000 0.210 59 E C -0.505 176.078 176.600 -0.027 0.000 1.256 59 E CA -0.328 56.071 56.400 -0.002 0.000 1.346 59 E CB 0.674 30.383 29.700 0.015 0.000 1.308 59 E HN 0.135 nan 8.360 nan 0.000 0.441 60 A N 0.768 123.557 122.820 -0.051 0.000 2.540 60 A HA 0.464 4.787 4.320 0.005 0.000 0.291 60 A C -0.227 177.295 177.584 -0.104 0.000 1.083 60 A CA -0.544 51.428 52.037 -0.108 0.000 0.650 60 A CB 1.045 19.941 19.000 -0.173 0.000 1.292 60 A HN 0.209 nan 8.150 nan 0.000 0.435 61 E N -1.713 118.402 120.200 -0.143 0.000 2.321 61 E HA 0.036 4.389 4.350 0.005 0.000 0.256 61 E C -0.216 176.313 176.600 -0.118 0.000 1.101 61 E CA 0.110 56.447 56.400 -0.105 0.000 1.790 61 E CB -0.220 29.441 29.700 -0.065 0.000 3.331 61 E HN 0.285 nan 8.360 nan 0.000 1.027 62 D N 0.832 121.156 120.400 -0.128 0.000 2.317 62 D HA -0.021 4.622 4.640 0.005 0.000 0.211 62 D C 1.123 177.328 176.300 -0.158 0.000 0.966 62 D CA 0.924 54.862 54.000 -0.103 0.000 0.876 62 D CB 0.331 41.092 40.800 -0.065 0.000 0.927 62 D HN 0.235 nan 8.370 nan 0.000 0.519 63 E N 0.386 120.388 120.200 -0.330 0.000 2.107 63 E HA -0.037 4.316 4.350 0.005 0.000 0.191 63 E C 2.243 178.676 176.600 -0.280 0.000 0.982 63 E CA 0.221 56.277 56.400 -0.572 0.000 0.809 63 E CB -0.115 28.724 29.700 -1.435 0.000 0.756 63 E HN 0.308 nan 8.360 nan 0.000 0.459 64 I N 1.119 121.568 120.570 -0.202 0.000 2.113 64 I HA -0.380 3.793 4.170 0.005 0.000 0.242 64 I C 2.044 178.130 176.117 -0.052 0.000 1.064 64 I CA 1.666 62.907 61.300 -0.097 0.000 1.320 64 I CB -0.448 37.511 38.000 -0.068 0.000 1.028 64 I HN 0.105 nan 8.210 nan 0.000 0.406 65 E N 1.120 121.293 120.200 -0.046 0.000 2.049 65 E HA -0.242 4.110 4.350 0.005 0.000 0.198 65 E C 1.821 178.423 176.600 0.003 0.000 1.007 65 E CA 1.824 58.213 56.400 -0.018 0.000 0.809 65 E CB -0.248 29.444 29.700 -0.014 0.000 0.749 65 E HN 0.498 nan 8.360 nan 0.000 0.450 66 D N 0.141 120.554 120.400 0.020 0.000 2.117 66 D HA -0.141 4.502 4.640 0.005 0.000 0.197 66 D C 2.111 178.461 176.300 0.084 0.000 0.987 66 D CA 0.876 54.920 54.000 0.073 0.000 0.829 66 D CB -0.308 40.587 40.800 0.160 0.000 0.961 66 D HN 0.223 nan 8.370 nan 0.000 0.460 67 I N 0.878 121.501 120.570 0.089 0.000 2.127 67 I HA -0.323 3.850 4.170 0.005 0.000 0.241 67 I C 2.738 178.863 176.117 0.014 0.000 1.075 67 I CA 1.296 62.645 61.300 0.082 0.000 1.334 67 I CB -0.398 37.641 38.000 0.065 0.000 1.040 67 I HN 0.002 nan 8.210 nan 0.000 0.405 68 Q N 0.528 120.327 119.800 -0.001 0.000 2.135 68 Q HA -0.309 4.034 4.340 0.005 0.000 0.204 68 Q C 2.199 178.181 176.000 -0.030 0.000 0.981 68 Q CA 1.823 57.614 55.803 -0.021 0.000 0.856 68 Q CB -0.021 28.710 28.738 -0.012 0.000 0.902 68 Q HN 0.346 nan 8.270 nan 0.000 0.425 69 Q N 0.616 120.411 119.800 -0.009 0.000 2.172 69 Q HA -0.145 4.198 4.340 0.005 0.000 0.200 69 Q C 1.550 177.541 176.000 -0.016 0.000 0.964 69 Q CA 1.837 57.636 55.803 -0.007 0.000 0.855 69 Q CB 0.012 28.757 28.738 0.011 0.000 0.918 69 Q HN 0.535 nan 8.270 nan 0.000 0.444 70 E N -0.485 119.709 120.200 -0.011 0.000 2.046 70 E HA -0.125 4.228 4.350 0.005 0.000 0.190 70 E C 1.853 178.389 176.600 -0.107 0.000 0.982 70 E CA 1.064 57.455 56.400 -0.015 0.000 0.800 70 E CB -0.141 29.568 29.700 0.015 0.000 0.756 70 E HN 0.465 nan 8.360 nan 0.000 0.449 71 I N 0.870 121.336 120.570 -0.174 0.000 2.286 71 I HA -0.259 3.914 4.170 0.005 0.000 0.248 71 I C 2.373 178.301 176.117 -0.315 0.000 1.115 71 I CA 1.283 62.351 61.300 -0.386 0.000 1.392 71 I CB -0.402 37.353 38.000 -0.409 0.000 1.065 71 I HN 0.197 nan 8.210 nan 0.000 0.418 72 T N 0.622 115.081 114.554 -0.158 0.000 2.622 72 T HA -0.160 4.193 4.350 0.005 0.000 0.266 72 T C 2.041 176.689 174.700 -0.086 0.000 1.047 72 T CA 1.509 63.554 62.100 -0.093 0.000 1.159 72 T CB -0.431 68.412 68.868 -0.042 0.000 0.863 72 T HN 0.096 nan 8.240 nan 0.000 0.422 73 V N 1.511 121.383 119.914 -0.071 0.000 2.324 73 V HA -0.170 3.953 4.120 0.005 0.000 0.250 73 V C 2.508 178.499 176.094 -0.172 0.000 1.060 73 V CA 1.567 63.830 62.300 -0.062 0.000 1.042 73 V CB -0.715 31.126 31.823 0.030 0.000 0.650 73 V HN 0.419 nan 8.190 nan 0.000 0.450 74 L N 0.612 121.682 121.223 -0.254 0.000 2.017 74 L HA -0.172 4.171 4.340 0.005 0.000 0.208 74 L C 2.737 179.516 176.870 -0.151 0.000 1.073 74 L CA 1.925 56.572 54.840 -0.321 0.000 0.745 74 L CB -0.724 41.146 42.059 -0.316 0.000 0.894 74 L HN 0.570 nan 8.230 nan 0.000 0.432 75 S N -0.762 114.888 115.700 -0.084 0.000 2.419 75 S HA -0.253 4.220 4.470 0.005 0.000 0.235 75 S C 1.737 176.362 174.600 0.043 0.000 1.019 75 S CA 1.067 59.319 58.200 0.087 0.000 0.982 75 S CB -0.420 62.861 63.200 0.136 0.000 0.789 75 S HN 0.532 nan 8.310 nan 0.000 0.490 76 Q N -0.173 119.628 119.800 0.002 0.000 2.432 76 Q HA 0.185 4.528 4.340 0.005 0.000 0.205 76 Q C 0.117 176.155 176.000 0.064 0.000 0.945 76 Q CA 0.134 55.955 55.803 0.029 0.000 0.924 76 Q CB -0.105 28.645 28.738 0.019 0.000 1.016 76 Q HN 0.538 nan 8.270 nan 0.000 0.503 77 C N 1.395 120.714 119.300 0.030 0.000 2.401 77 C HA 0.354 4.817 4.460 0.005 0.000 0.365 77 C C 0.166 175.169 174.990 0.022 0.000 1.250 77 C CA -0.840 58.247 59.018 0.116 0.000 2.131 77 C CB 0.687 28.432 27.740 0.009 0.000 2.445 77 C HN 0.257 nan 8.230 nan 0.000 0.550 78 D N 1.742 122.143 120.400 0.000 0.000 2.364 78 D HA 0.326 4.969 4.640 0.005 0.000 0.251 78 D C -0.950 175.107 176.300 -0.405 0.000 1.282 78 D CA 0.383 54.303 54.000 -0.133 0.000 0.927 78 D CB 1.281 42.071 40.800 -0.018 0.000 1.267 78 D HN 0.618 nan 8.370 nan 0.000 0.531 79 S N 2.336 117.718 115.700 -0.530 0.000 2.556 79 S HA 0.589 5.062 4.470 0.005 0.000 0.271 79 S C -2.319 171.990 174.600 -0.485 0.000 1.135 79 S CA -1.122 56.679 58.200 -0.665 0.000 0.858 79 S CB 2.073 64.581 63.200 -1.154 0.000 1.114 79 S HN 0.066 nan 8.310 nan 0.000 0.468 80 P HA 0.117 nan 4.420 nan 0.000 0.245 80 P C -0.004 176.853 177.300 -0.738 0.000 1.212 80 P CA 0.553 63.271 63.100 -0.636 0.000 0.774 80 P CB -0.208 31.073 31.700 -0.698 0.000 0.999 81 Y N -1.136 119.106 120.300 -0.097 0.000 2.458 81 Y HA 0.205 4.758 4.550 0.005 0.000 0.256 81 Y C 0.997 176.899 175.900 0.004 0.000 1.159 81 Y CA -0.427 57.652 58.100 -0.034 0.000 1.261 81 Y CB 0.151 38.607 38.460 -0.007 0.000 1.119 81 Y HN -0.306 nan 8.280 nan 0.000 0.524 82 V N 0.880 120.782 119.914 -0.019 0.000 2.540 82 V HA 0.240 4.363 4.120 0.005 0.000 0.302 82 V C 0.114 176.176 176.094 -0.053 0.000 1.035 82 V CA -1.459 60.863 62.300 0.037 0.000 0.873 82 V CB 1.618 33.432 31.823 -0.014 0.000 0.992 82 V HN 0.324 nan 8.190 nan 0.000 0.428 83 T N 2.603 117.159 114.554 0.004 0.000 2.866 83 T HA 0.094 4.447 4.350 0.005 0.000 0.293 83 T C 0.071 174.689 174.700 -0.136 0.000 1.005 83 T CA -0.416 61.655 62.100 -0.048 0.000 1.162 83 T CB 0.051 68.923 68.868 0.007 0.000 0.968 83 T HN 0.451 nan 8.240 nan 0.000 0.530 84 K N 2.803 123.085 120.400 -0.196 0.000 2.295 84 K HA 0.168 4.491 4.320 0.005 0.000 0.270 84 K C -0.467 175.872 176.600 -0.435 0.000 1.011 84 K CA -0.303 55.776 56.287 -0.347 0.000 0.953 84 K CB 0.662 32.859 32.500 -0.505 0.000 0.956 84 K HN 0.875 nan 8.250 nan 0.000 0.477 85 Y N 1.162 121.164 120.300 -0.497 0.000 2.335 85 Y HA 0.193 4.746 4.550 0.005 0.000 0.338 85 Y C -0.392 175.297 175.900 -0.351 0.000 0.977 85 Y CA -0.551 57.335 58.100 -0.357 0.000 1.114 85 Y CB 0.867 39.220 38.460 -0.179 0.000 1.182 85 Y HN 0.578 nan 8.280 nan 0.000 0.463 86 Y N 4.585 124.631 120.300 -0.423 0.000 2.636 86 Y HA 0.480 5.032 4.550 0.005 0.000 0.260 86 Y C 0.876 176.442 175.900 -0.557 0.000 1.177 86 Y CA -0.054 57.821 58.100 -0.374 0.000 1.209 86 Y CB 0.800 39.219 38.460 -0.068 0.000 1.166 86 Y HN 0.940 nan 8.280 nan 0.000 0.531 87 G N 0.082 108.150 108.800 -1.220 0.000 2.515 87 G HA2 0.025 3.988 3.960 0.005 0.000 0.686 87 G HA3 0.025 3.988 3.960 0.005 0.000 0.686 87 G C -1.020 173.770 174.900 -0.184 0.000 1.274 87 G CA -0.871 43.811 45.100 -0.696 0.000 0.874 87 G HN 0.035 nan 8.290 nan 0.000 0.631 88 S N -0.546 115.096 115.700 -0.096 0.000 2.568 88 S HA 0.886 5.359 4.470 0.005 0.000 0.293 88 S C -1.341 173.116 174.600 -0.238 0.000 1.089 88 S CA -0.639 57.603 58.200 0.071 0.000 0.945 88 S CB 1.878 65.208 63.200 0.218 0.000 1.077 88 S HN 0.698 nan 8.310 nan 0.000 0.485 89 Y N 0.542 120.936 120.300 0.156 0.000 2.524 89 Y HA 0.657 5.210 4.550 0.005 0.000 0.347 89 Y C -0.872 175.082 175.900 0.091 0.000 1.005 89 Y CA -1.019 57.131 58.100 0.083 0.000 1.025 89 Y CB 1.418 39.883 38.460 0.008 0.000 1.275 89 Y HN 0.468 nan 8.280 nan 0.000 0.460 90 L N 3.759 125.095 121.223 0.187 0.000 2.319 90 L HA 0.594 4.937 4.340 0.005 0.000 0.281 90 L C -1.116 175.803 176.870 0.081 0.000 1.005 90 L CA -0.927 53.998 54.840 0.143 0.000 0.828 90 L CB 1.075 43.194 42.059 0.100 0.000 1.227 90 L HN 0.569 nan 8.230 nan 0.000 0.415 91 K N 4.939 125.384 120.400 0.076 0.000 2.425 91 K HA 0.488 4.811 4.320 0.005 0.000 0.259 91 K C 0.050 176.696 176.600 0.076 0.000 0.978 91 K CA -0.179 56.118 56.287 0.016 0.000 0.883 91 K CB 0.495 32.940 32.500 -0.092 0.000 1.110 91 K HN 0.783 nan 8.250 nan 0.000 0.436 92 D N 0.976 121.407 120.400 0.052 0.000 3.685 92 D HA -0.271 4.372 4.640 0.005 0.000 0.152 92 D C 0.287 176.630 176.300 0.072 0.000 0.966 92 D CA 2.709 56.743 54.000 0.057 0.000 1.085 92 D CB -0.684 40.154 40.800 0.063 0.000 0.521 92 D HN 0.686 nan 8.370 nan 0.000 0.543 93 T N -1.104 113.497 114.554 0.079 0.000 3.107 93 T HA 0.195 4.548 4.350 0.005 0.000 0.249 93 T C 0.677 175.440 174.700 0.104 0.000 1.096 93 T CA 0.265 62.411 62.100 0.076 0.000 1.012 93 T CB 0.270 69.173 68.868 0.058 0.000 0.977 93 T HN 0.138 nan 8.240 nan 0.000 0.527 94 K N 1.330 121.822 120.400 0.153 0.000 2.185 94 K HA 0.499 4.822 4.320 0.005 0.000 0.269 94 K C -1.257 175.524 176.600 0.302 0.000 0.987 94 K CA -0.936 55.478 56.287 0.211 0.000 0.865 94 K CB 2.059 34.713 32.500 0.256 0.000 1.090 94 K HN 0.101 nan 8.250 nan 0.000 0.450 95 L N 3.502 124.880 121.223 0.258 0.000 2.265 95 L HA 0.322 4.665 4.340 0.005 0.000 0.288 95 L C -1.430 175.672 176.870 0.386 0.000 1.058 95 L CA -0.159 54.857 54.840 0.293 0.000 0.809 95 L CB 0.254 42.422 42.059 0.181 0.000 1.179 95 L HN 0.472 nan 8.230 nan 0.000 0.429 96 W N 7.004 128.386 121.300 0.136 0.000 2.291 96 W HA 0.499 5.163 4.660 0.006 0.000 0.312 96 W C -0.440 176.175 176.519 0.160 0.000 1.061 96 W CA -0.561 56.855 57.345 0.118 0.000 1.296 96 W CB 0.618 30.123 29.460 0.076 0.000 1.223 96 W HN 0.288 nan 8.180 nan 0.000 0.421 97 I N 6.177 126.921 120.570 0.289 0.000 2.321 97 I HA 0.247 4.420 4.170 0.005 0.000 0.291 97 I C -0.132 176.122 176.117 0.229 0.000 0.998 97 I CA -0.906 60.567 61.300 0.289 0.000 1.227 97 I CB 0.780 38.912 38.000 0.219 0.000 1.368 97 I HN 0.031 nan 8.210 nan 0.000 0.466 98 I N 7.262 127.979 120.570 0.244 0.000 2.315 98 I HA 0.455 4.628 4.170 0.005 0.000 0.291 98 I C -0.023 176.225 176.117 0.219 0.000 1.006 98 I CA -0.185 61.212 61.300 0.162 0.000 1.265 98 I CB 0.895 38.978 38.000 0.138 0.000 1.387 98 I HN 0.620 nan 8.210 nan 0.000 0.475 99 M N 3.498 123.220 119.600 0.204 0.000 2.631 99 M HA 0.347 4.829 4.480 0.005 0.000 0.288 99 M C 0.039 176.446 176.300 0.178 0.000 1.260 99 M CA -0.721 54.639 55.300 0.100 0.000 0.842 99 M CB 2.615 35.271 32.600 0.092 0.000 1.743 99 M HN 0.457 nan 8.290 nan 0.000 0.461 100 E N 1.050 121.264 120.200 0.023 0.000 2.465 100 E HA -0.048 4.305 4.350 0.005 0.000 0.260 100 E C -1.692 175.024 176.600 0.194 0.000 0.980 100 E CA 0.141 56.657 56.400 0.193 0.000 0.927 100 E CB 0.603 30.321 29.700 0.031 0.000 0.934 100 E HN 0.473 nan 8.360 nan 0.000 0.459 101 Y N 5.136 125.510 120.300 0.123 0.000 2.304 101 Y HA 0.371 4.924 4.550 0.005 0.000 0.328 101 Y C -0.907 175.020 175.900 0.045 0.000 1.123 101 Y CA -0.460 57.685 58.100 0.076 0.000 1.218 101 Y CB 0.583 39.089 38.460 0.077 0.000 1.207 101 Y HN 0.444 nan 8.280 nan 0.000 0.495 102 L N 6.377 127.198 121.223 -0.670 0.000 2.529 102 L HA 0.344 4.687 4.340 0.005 0.000 0.260 102 L C 0.571 177.015 176.870 -0.711 0.000 0.997 102 L CA -0.358 54.191 54.840 -0.484 0.000 0.885 102 L CB 1.770 43.694 42.059 -0.225 0.000 1.185 102 L HN 0.968 nan 8.230 nan 0.000 0.442 103 G N 0.624 108.974 108.800 -0.749 0.000 3.284 103 G HA2 0.110 4.073 3.960 0.005 0.000 0.236 103 G HA3 0.110 4.073 3.960 0.005 0.000 0.236 103 G C 1.136 175.973 174.900 -0.105 0.000 1.158 103 G CA 0.534 45.369 45.100 -0.442 0.000 0.774 103 G HN 0.733 nan 8.290 nan 0.000 0.545 104 G N -0.081 108.659 108.800 -0.100 0.000 2.572 104 G HA2 0.411 4.374 3.960 0.005 0.000 0.216 104 G HA3 0.411 4.374 3.960 0.005 0.000 0.216 104 G C 0.969 175.873 174.900 0.007 0.000 1.133 104 G CA 0.640 45.735 45.100 -0.008 0.000 0.791 104 G HN 1.309 nan 8.290 nan 0.000 0.538 105 G N -0.880 107.890 108.800 -0.050 0.000 2.661 105 G HA2 0.256 4.219 3.960 0.005 0.000 0.685 105 G HA3 0.256 4.219 3.960 0.005 0.000 0.685 105 G C 0.030 174.838 174.900 -0.153 0.000 1.298 105 G CA -0.017 45.025 45.100 -0.096 0.000 0.855 105 G HN 1.312 nan 8.290 nan 0.000 0.560 106 S N -0.123 115.465 115.700 -0.186 0.000 2.652 106 S HA 0.740 5.213 4.470 0.005 0.000 0.270 106 S C 1.860 176.342 174.600 -0.197 0.000 1.243 106 S CA 0.579 58.679 58.200 -0.167 0.000 0.999 106 S CB 1.634 64.743 63.200 -0.152 0.000 0.973 106 S HN 2.380 nan 8.310 nan 0.000 0.544 107 A N 0.823 123.552 122.820 -0.153 0.000 1.940 107 A HA -0.057 4.266 4.320 0.005 0.000 0.219 107 A C 2.021 179.502 177.584 -0.172 0.000 1.176 107 A CA 1.599 53.549 52.037 -0.145 0.000 0.631 107 A CB -1.053 17.884 19.000 -0.106 0.000 0.814 107 A HN 0.893 nan 8.150 nan 0.000 0.446 108 L N 0.223 121.347 121.223 -0.166 0.000 2.046 108 L HA -0.174 4.169 4.340 0.005 0.000 0.208 108 L C 1.671 178.401 176.870 -0.232 0.000 1.077 108 L CA 2.473 57.221 54.840 -0.153 0.000 0.747 108 L CB -0.742 41.246 42.059 -0.119 0.000 0.896 108 L HN 0.354 nan 8.230 nan 0.000 0.432 109 D N -0.390 119.815 120.400 -0.326 0.000 2.123 109 D HA -0.204 4.439 4.640 0.005 0.000 0.196 109 D C 2.205 178.040 176.300 -0.775 0.000 0.992 109 D CA 1.668 55.319 54.000 -0.581 0.000 0.833 109 D CB -0.256 40.044 40.800 -0.834 0.000 0.954 109 D HN 0.386 nan 8.370 nan 0.000 0.455 110 L N 0.135 121.010 121.223 -0.579 0.000 2.465 110 L HA -0.029 4.314 4.340 0.005 0.000 0.224 110 L C 2.220 178.934 176.870 -0.260 0.000 1.145 110 L CA 0.158 54.758 54.840 -0.400 0.000 0.834 110 L CB -0.155 41.763 42.059 -0.235 0.000 0.944 110 L HN 0.003 nan 8.230 nan 0.000 0.451 111 L N -0.958 120.116 121.223 -0.249 0.000 2.418 111 L HA -0.035 4.308 4.340 0.005 0.000 0.218 111 L C 2.485 179.200 176.870 -0.258 0.000 1.125 111 L CA 0.142 54.868 54.840 -0.191 0.000 0.835 111 L CB -0.229 41.747 42.059 -0.138 0.000 0.953 111 L HN 0.180 nan 8.230 nan 0.000 0.454 112 E N 0.681 120.661 120.200 -0.366 0.000 2.065 112 E HA -0.225 4.128 4.350 0.005 0.000 0.201 112 E C -0.350 175.754 176.600 -0.827 0.000 1.016 112 E CA 1.709 57.766 56.400 -0.571 0.000 0.818 112 E CB -1.441 27.805 29.700 -0.756 0.000 0.749 112 E HN 0.424 nan 8.360 nan 0.000 0.453 113 P HA 0.064 nan 4.420 nan 0.000 0.233 113 P C 0.234 177.382 177.300 -0.254 0.000 1.167 113 P CA 1.169 63.791 63.100 -0.798 0.000 0.770 113 P CB 0.374 31.785 31.700 -0.482 0.000 0.837 114 G N -1.284 107.397 108.800 -0.198 0.000 2.324 114 G HA2 0.238 4.201 3.960 0.005 0.000 0.293 114 G HA3 0.238 4.201 3.960 0.005 0.000 0.293 114 G C -3.385 171.469 174.900 -0.076 0.000 1.297 114 G CA -0.823 44.223 45.100 -0.090 0.000 0.853 114 G HN -0.283 nan 8.290 nan 0.000 0.535 115 P HA 0.492 nan 4.420 nan 0.000 0.276 115 P C -0.233 177.057 177.300 -0.016 0.000 1.252 115 P CA -0.333 62.754 63.100 -0.022 0.000 0.802 115 P CB 1.234 32.936 31.700 0.003 0.000 1.035 116 L N 1.222 122.443 121.223 -0.003 0.000 2.379 116 L HA 0.303 4.646 4.340 0.005 0.000 0.269 116 L C 0.960 177.849 176.870 0.031 0.000 1.084 116 L CA -0.723 54.119 54.840 0.004 0.000 0.802 116 L CB 0.735 42.793 42.059 -0.002 0.000 1.175 116 L HN 0.468 nan 8.230 nan 0.000 0.448 117 D N -0.533 119.883 120.400 0.028 0.000 2.432 117 D HA 0.086 4.729 4.640 0.005 0.000 0.258 117 D C 0.531 176.876 176.300 0.075 0.000 1.146 117 D CA -0.569 53.456 54.000 0.042 0.000 1.015 117 D CB 0.705 41.514 40.800 0.016 0.000 1.107 117 D HN 0.471 nan 8.370 nan 0.000 0.529 118 E N -0.709 119.558 120.200 0.112 0.000 2.204 118 E HA -0.132 4.221 4.350 0.005 0.000 0.195 118 E C 1.539 178.201 176.600 0.104 0.000 0.990 118 E CA 1.279 57.801 56.400 0.204 0.000 0.821 118 E CB -0.189 29.690 29.700 0.300 0.000 0.750 118 E HN 0.538 nan 8.360 nan 0.000 0.477 119 T N 1.287 115.849 114.554 0.014 0.000 2.777 119 T HA -0.158 4.195 4.350 0.005 0.000 0.266 119 T C 1.859 176.541 174.700 -0.031 0.000 1.040 119 T CA 1.075 63.144 62.100 -0.052 0.000 1.141 119 T CB -0.101 68.733 68.868 -0.056 0.000 0.868 119 T HN 0.192 nan 8.240 nan 0.000 0.444 120 Q N 0.266 120.068 119.800 0.003 0.000 2.046 120 Q HA 0.028 4.371 4.340 0.005 0.000 0.200 120 Q C 2.369 178.372 176.000 0.006 0.000 0.975 120 Q CA 1.157 56.965 55.803 0.008 0.000 0.836 120 Q CB -0.346 28.399 28.738 0.011 0.000 0.896 120 Q HN 0.490 nan 8.270 nan 0.000 0.428 121 I N 0.686 121.277 120.570 0.034 0.000 2.163 121 I HA -0.314 3.859 4.170 0.005 0.000 0.243 121 I C 2.410 178.554 176.117 0.044 0.000 1.085 121 I CA 1.125 62.454 61.300 0.049 0.000 1.347 121 I CB -0.390 37.674 38.000 0.107 0.000 1.044 121 I HN 0.189 nan 8.210 nan 0.000 0.408 122 A N 0.084 122.907 122.820 0.005 0.000 1.930 122 A HA -0.185 4.138 4.320 0.005 0.000 0.217 122 A C 2.363 179.850 177.584 -0.163 0.000 1.175 122 A CA 2.327 54.226 52.037 -0.229 0.000 0.627 122 A CB -1.016 17.568 19.000 -0.695 0.000 0.815 122 A HN 0.396 nan 8.150 nan 0.000 0.443 123 T N 0.232 114.728 114.554 -0.098 0.000 2.777 123 T HA -0.065 4.288 4.350 0.005 0.000 0.266 123 T C 1.787 176.464 174.700 -0.040 0.000 1.040 123 T CA 1.524 63.591 62.100 -0.055 0.000 1.141 123 T CB -0.359 68.504 68.868 -0.007 0.000 0.868 123 T HN 0.421 nan 8.240 nan 0.000 0.444 124 I N 0.566 121.117 120.570 -0.032 0.000 2.202 124 I HA -0.085 4.088 4.170 0.005 0.000 0.242 124 I C 2.242 178.338 176.117 -0.035 0.000 1.091 124 I CA 1.052 62.335 61.300 -0.027 0.000 1.368 124 I CB -0.329 37.654 38.000 -0.029 0.000 1.058 124 I HN 0.168 nan 8.210 nan 0.000 0.410 125 L N 0.217 121.413 121.223 -0.045 0.000 2.046 125 L HA -0.223 4.120 4.340 0.005 0.000 0.208 125 L C 2.771 179.622 176.870 -0.031 0.000 1.077 125 L CA 1.283 56.099 54.840 -0.040 0.000 0.747 125 L CB -0.557 41.441 42.059 -0.102 0.000 0.896 125 L HN 0.225 nan 8.230 nan 0.000 0.432 126 R N 0.098 120.563 120.500 -0.060 0.000 2.083 126 R HA -0.185 4.158 4.340 0.005 0.000 0.237 126 R C 2.196 178.443 176.300 -0.088 0.000 1.137 126 R CA 1.518 57.583 56.100 -0.058 0.000 0.951 126 R CB -0.014 30.242 30.300 -0.073 0.000 0.851 126 R HN 0.302 nan 8.270 nan 0.000 0.434 127 E N 0.535 120.688 120.200 -0.079 0.000 2.106 127 E HA -0.176 4.177 4.350 0.005 0.000 0.192 127 E C 2.081 178.621 176.600 -0.099 0.000 0.984 127 E CA 1.114 57.452 56.400 -0.103 0.000 0.806 127 E CB -0.187 29.515 29.700 0.004 0.000 0.750 127 E HN 0.491 nan 8.360 nan 0.000 0.458 128 I N 0.842 121.384 120.570 -0.048 0.000 2.226 128 I HA -0.259 3.914 4.170 0.005 0.000 0.245 128 I C 2.468 178.553 176.117 -0.053 0.000 1.100 128 I CA 0.779 62.057 61.300 -0.037 0.000 1.374 128 I CB -0.262 37.717 38.000 -0.035 0.000 1.057 128 I HN 0.036 nan 8.210 nan 0.000 0.413 129 L N 0.490 121.688 121.223 -0.042 0.000 2.079 129 L HA -0.244 4.099 4.340 0.005 0.000 0.210 129 L C 2.530 179.341 176.870 -0.098 0.000 1.081 129 L CA 1.552 56.374 54.840 -0.030 0.000 0.752 129 L CB -0.460 41.619 42.059 0.034 0.000 0.896 129 L HN 0.187 nan 8.230 nan 0.000 0.433 130 K N -0.421 119.846 120.400 -0.221 0.000 2.097 130 K HA -0.106 4.217 4.320 0.005 0.000 0.205 130 K C 2.096 178.578 176.600 -0.198 0.000 1.050 130 K CA 1.224 57.282 56.287 -0.383 0.000 0.938 130 K CB -0.403 31.467 32.500 -1.051 0.000 0.718 130 K HN 0.391 nan 8.250 nan 0.000 0.442 131 G N 0.943 109.698 108.800 -0.075 0.000 2.403 131 G HA2 -0.181 3.782 3.960 0.005 0.000 0.216 131 G HA3 -0.181 3.782 3.960 0.005 0.000 0.216 131 G C 1.438 176.406 174.900 0.113 0.000 1.154 131 G CA 0.345 45.554 45.100 0.182 0.000 0.784 131 G HN 0.078 nan 8.290 nan 0.000 0.538 132 L N 0.248 121.433 121.223 -0.063 0.000 2.093 132 L HA -0.031 4.312 4.340 0.005 0.000 0.208 132 L C 2.529 179.158 176.870 -0.402 0.000 1.085 132 L CA 1.381 56.023 54.840 -0.330 0.000 0.755 132 L CB -0.328 41.520 42.059 -0.352 0.000 0.904 132 L HN 0.204 nan 8.230 nan 0.000 0.435 133 D N -0.513 119.807 120.400 -0.133 0.000 2.104 133 D HA -0.296 4.347 4.640 0.005 0.000 0.194 133 D C 2.075 178.402 176.300 0.045 0.000 0.994 133 D CA 1.382 55.370 54.000 -0.019 0.000 0.830 133 D CB -0.121 40.692 40.800 0.022 0.000 0.959 133 D HN 0.285 nan 8.370 nan 0.000 0.452 134 Y N 0.833 121.146 120.300 0.022 0.000 2.097 134 Y HA -0.181 4.372 4.550 0.005 0.000 0.282 134 Y C 2.026 177.981 175.900 0.092 0.000 1.152 134 Y CA 1.673 59.824 58.100 0.085 0.000 1.136 134 Y CB -0.511 38.038 38.460 0.149 0.000 0.975 134 Y HN 0.045 nan 8.280 nan 0.000 0.498 135 L N -0.750 120.446 121.223 -0.044 0.000 2.017 135 L HA -0.279 4.063 4.340 0.005 0.000 0.208 135 L C 2.458 179.354 176.870 0.044 0.000 1.073 135 L CA 1.935 56.754 54.840 -0.035 0.000 0.745 135 L CB -0.823 41.355 42.059 0.199 0.000 0.894 135 L HN 0.390 nan 8.230 nan 0.000 0.432 136 H N -1.149 117.921 119.070 -0.001 0.000 2.423 136 H HA -0.111 4.448 4.556 0.005 0.000 0.297 136 H C 2.493 177.802 175.328 -0.032 0.000 1.075 136 H CA 1.020 57.072 56.048 0.008 0.000 1.342 136 H CB 0.151 29.936 29.762 0.040 0.000 1.395 136 H HN 0.408 nan 8.280 nan 0.000 0.530 137 S N 0.508 116.233 115.700 0.041 0.000 2.481 137 S HA -0.071 4.402 4.470 0.005 0.000 0.231 137 S C 1.434 175.988 174.600 -0.076 0.000 0.996 137 S CA 0.718 58.909 58.200 -0.015 0.000 0.942 137 S CB 0.216 63.398 63.200 -0.029 0.000 0.768 137 S HN 0.331 nan 8.310 nan 0.000 0.520 138 E N 0.901 121.010 120.200 -0.150 0.000 2.501 138 E HA 0.189 4.542 4.350 0.005 0.000 0.200 138 E C -0.269 176.299 176.600 -0.054 0.000 1.016 138 E CA -0.155 56.153 56.400 -0.152 0.000 0.921 138 E CB 0.192 29.703 29.700 -0.315 0.000 1.034 138 E HN 0.352 nan 8.360 nan 0.000 0.468 139 K N 0.877 121.272 120.400 -0.008 0.000 3.069 139 K HA -0.183 4.140 4.320 0.005 0.000 0.267 139 K C -0.226 176.401 176.600 0.044 0.000 1.082 139 K CA 0.847 57.145 56.287 0.018 0.000 0.782 139 K CB -1.460 31.042 32.500 0.003 0.000 1.230 139 K HN 0.232 nan 8.250 nan 0.000 0.488 140 K N 0.195 120.648 120.400 0.089 0.000 2.208 140 K HA 0.623 4.946 4.320 0.005 0.000 0.247 140 K C 0.362 177.098 176.600 0.227 0.000 0.953 140 K CA -0.824 55.547 56.287 0.140 0.000 0.837 140 K CB 1.460 34.055 32.500 0.158 0.000 1.131 140 K HN 0.009 nan 8.250 nan 0.000 0.431 141 I N 1.747 122.441 120.570 0.207 0.000 2.465 141 I HA 0.125 4.298 4.170 0.005 0.000 0.291 141 I C 1.212 177.461 176.117 0.220 0.000 1.014 141 I CA -0.691 60.752 61.300 0.238 0.000 1.093 141 I CB 1.657 39.770 38.000 0.189 0.000 1.267 141 I HN 0.752 nan 8.210 nan 0.000 0.431 142 H N 6.530 125.668 119.070 0.114 0.000 2.333 142 H HA 0.042 4.601 4.556 0.005 0.000 0.302 142 H C 1.017 176.296 175.328 -0.082 0.000 1.075 142 H CA 1.926 57.917 56.048 -0.096 0.000 1.348 142 H CB 0.475 30.108 29.762 -0.215 0.000 1.393 142 H HN 0.654 nan 8.280 nan 0.000 0.509 143 R N -0.836 119.775 120.500 0.185 0.000 3.785 143 R HA -0.177 4.166 4.340 0.005 0.000 0.476 143 R C -0.455 175.910 176.300 0.108 0.000 0.905 143 R CA 1.271 57.440 56.100 0.115 0.000 1.412 143 R CB -1.449 28.897 30.300 0.077 0.000 2.077 143 R HN 0.309 nan 8.270 nan 0.000 0.504 144 D N 0.240 120.786 120.400 0.242 0.000 2.945 144 D HA 0.216 4.859 4.640 0.005 0.000 0.369 144 D C -0.614 175.662 176.300 -0.040 0.000 1.294 144 D CA -0.260 53.790 54.000 0.084 0.000 0.778 144 D CB 0.346 41.139 40.800 -0.011 0.000 1.188 144 D HN 0.049 nan 8.370 nan 0.000 0.479 145 I N 2.420 122.910 120.570 -0.134 0.000 2.416 145 I HA 0.247 4.420 4.170 0.005 0.000 0.288 145 I C 0.543 176.436 176.117 -0.374 0.000 1.051 145 I CA 0.198 61.293 61.300 -0.342 0.000 1.375 145 I CB 0.305 38.178 38.000 -0.212 0.000 1.407 145 I HN 0.242 nan 8.210 nan 0.000 0.516 146 K N 3.859 123.966 120.400 -0.487 0.000 2.660 146 K HA 0.531 4.854 4.320 0.005 0.000 0.285 146 K C -0.184 176.176 176.600 -0.400 0.000 0.997 146 K CA -0.597 55.265 56.287 -0.708 0.000 0.861 146 K CB 0.794 32.247 32.500 -1.745 0.000 1.469 146 K HN 0.243 nan 8.250 nan 0.000 0.395 147 A N 1.074 123.751 122.820 -0.238 0.000 1.978 147 A HA -0.096 4.227 4.320 0.005 0.000 0.220 147 A C 2.160 179.631 177.584 -0.189 0.000 1.170 147 A CA 2.223 54.169 52.037 -0.152 0.000 0.636 147 A CB -0.989 17.973 19.000 -0.063 0.000 0.810 147 A HN 0.855 nan 8.150 nan 0.000 0.448 148 A N -0.236 122.434 122.820 -0.249 0.000 2.067 148 A HA -0.107 4.216 4.320 0.005 0.000 0.219 148 A C 1.490 178.960 177.584 -0.190 0.000 1.158 148 A CA 1.451 53.364 52.037 -0.206 0.000 0.661 148 A CB -0.348 18.519 19.000 -0.222 0.000 0.801 148 A HN 0.499 nan 8.150 nan 0.000 0.452 149 N N -0.421 118.145 118.700 -0.224 0.000 2.251 149 N HA 0.172 4.915 4.740 0.005 0.000 0.217 149 N C -0.759 174.671 175.510 -0.134 0.000 1.124 149 N CA 0.235 53.186 53.050 -0.165 0.000 0.843 149 N CB 0.924 39.306 38.487 -0.174 0.000 1.024 149 N HN 0.149 nan 8.380 nan 0.000 0.501 150 V N 2.337 122.170 119.914 -0.134 0.000 2.313 150 V HA 0.383 4.506 4.120 0.005 0.000 0.278 150 V C 0.067 176.112 176.094 -0.081 0.000 1.017 150 V CA -0.605 61.638 62.300 -0.096 0.000 0.823 150 V CB 1.451 33.213 31.823 -0.102 0.000 1.010 150 V HN 0.017 nan 8.190 nan 0.000 0.443 151 L N 5.575 126.765 121.223 -0.054 0.000 2.344 151 L HA 0.687 5.030 4.340 0.005 0.000 0.272 151 L C -0.801 176.036 176.870 -0.054 0.000 1.035 151 L CA -0.763 54.036 54.840 -0.067 0.000 0.807 151 L CB 1.786 43.805 42.059 -0.067 0.000 1.237 151 L HN 0.373 nan 8.230 nan 0.000 0.442 152 L N 0.625 121.806 121.223 -0.071 0.000 2.370 152 L HA 0.475 4.818 4.340 0.005 0.000 0.266 152 L C 0.203 177.031 176.870 -0.069 0.000 1.002 152 L CA -0.118 54.692 54.840 -0.050 0.000 0.818 152 L CB 2.169 44.206 42.059 -0.036 0.000 1.325 152 L HN 0.701 nan 8.230 nan 0.000 0.418 153 S N -0.135 115.537 115.700 -0.046 0.000 2.645 153 S HA 0.282 4.755 4.470 0.005 0.000 0.266 153 S C 0.704 175.280 174.600 -0.040 0.000 1.258 153 S CA -0.404 57.756 58.200 -0.067 0.000 0.990 153 S CB 0.763 63.940 63.200 -0.039 0.000 0.967 153 S HN 0.681 nan 8.310 nan 0.000 0.556 154 E N -0.229 119.928 120.200 -0.072 0.000 2.338 154 E HA -0.105 4.248 4.350 0.005 0.000 0.197 154 E C 0.563 177.221 176.600 0.097 0.000 1.007 154 E CA 0.836 57.228 56.400 -0.013 0.000 0.849 154 E CB -0.154 29.527 29.700 -0.031 0.000 0.774 154 E HN 0.611 nan 8.360 nan 0.000 0.506 155 H N -1.084 118.003 119.070 0.029 0.000 2.517 155 H HA 0.225 4.784 4.556 0.005 0.000 0.282 155 H C 1.291 176.622 175.328 0.005 0.000 1.023 155 H CA 0.450 56.508 56.048 0.017 0.000 1.169 155 H CB 0.648 30.418 29.762 0.013 0.000 1.454 155 H HN 0.288 nan 8.280 nan 0.000 0.556 156 G N 0.809 109.678 108.800 0.114 0.000 2.175 156 G HA2 -0.277 3.686 3.960 0.005 0.000 0.244 156 G HA3 -0.277 3.686 3.960 0.005 0.000 0.244 156 G C 0.134 175.064 174.900 0.049 0.000 0.982 156 G CA 0.018 45.157 45.100 0.065 0.000 0.641 156 G HN 0.428 nan 8.290 nan 0.000 0.527 157 E N -0.231 120.002 120.200 0.054 0.000 2.398 157 E HA 0.465 4.818 4.350 0.005 0.000 0.263 157 E C 0.215 176.838 176.600 0.039 0.000 1.046 157 E CA -0.003 56.427 56.400 0.050 0.000 0.908 157 E CB 1.569 31.291 29.700 0.037 0.000 0.963 157 E HN 0.209 nan 8.360 nan 0.000 0.431 158 V N 3.277 123.232 119.914 0.068 0.000 2.409 158 V HA 0.374 4.497 4.120 0.005 0.000 0.291 158 V C -0.324 175.830 176.094 0.099 0.000 1.020 158 V CA -0.689 61.647 62.300 0.060 0.000 0.848 158 V CB 1.248 33.102 31.823 0.051 0.000 0.990 158 V HN 0.573 nan 8.190 nan 0.000 0.430 159 K N 4.033 124.469 120.400 0.060 0.000 2.435 159 K HA 0.708 5.031 4.320 0.005 0.000 0.251 159 K C -1.131 175.521 176.600 0.086 0.000 0.954 159 K CA -0.634 55.706 56.287 0.088 0.000 0.820 159 K CB 2.422 34.950 32.500 0.046 0.000 1.292 159 K HN 0.483 nan 8.250 nan 0.000 0.436 160 L N 1.869 123.185 121.223 0.155 0.000 2.397 160 L HA 0.622 4.965 4.340 0.005 0.000 0.271 160 L C 0.090 177.160 176.870 0.334 0.000 1.148 160 L CA -0.301 54.650 54.840 0.186 0.000 0.825 160 L CB 1.020 43.237 42.059 0.263 0.000 1.117 160 L HN 0.761 nan 8.230 nan 0.000 0.456 161 A N 1.493 124.475 122.820 0.270 0.000 2.524 161 A HA 0.513 4.836 4.320 0.005 0.000 0.286 161 A C -0.577 177.155 177.584 0.246 0.000 1.203 161 A CA -0.392 51.826 52.037 0.303 0.000 0.736 161 A CB 1.265 20.332 19.000 0.112 0.000 1.322 161 A HN 0.784 nan 8.150 nan 0.000 0.424 162 D N -1.216 119.299 120.400 0.191 0.000 3.133 162 D HA -0.149 4.494 4.640 0.005 0.000 0.239 162 D C -0.694 175.488 176.300 -0.196 0.000 1.136 162 D CA 0.625 54.645 54.000 0.033 0.000 0.898 162 D CB -1.009 39.770 40.800 -0.036 0.000 0.959 162 D HN 0.468 nan 8.370 nan 0.000 0.415 163 F N -0.066 119.770 119.950 -0.190 0.000 2.676 163 F HA 0.252 4.782 4.527 0.005 0.000 0.300 163 F C 2.371 178.055 175.800 -0.193 0.000 1.160 163 F CA 0.267 58.087 58.000 -0.299 0.000 1.401 163 F CB 0.372 39.260 39.000 -0.187 0.000 1.037 163 F HN 0.344 nan 8.300 nan 0.000 0.522 164 G N 0.231 108.987 108.800 -0.072 0.000 2.485 164 G HA2 -0.225 3.738 3.960 0.005 0.000 0.221 164 G HA3 -0.225 3.738 3.960 0.005 0.000 0.221 164 G C 1.336 176.212 174.900 -0.039 0.000 1.115 164 G CA 1.568 46.645 45.100 -0.038 0.000 0.751 164 G HN 0.380 nan 8.290 nan 0.000 0.567 165 V N -3.313 116.548 119.914 -0.089 0.000 3.159 165 V HA 0.768 4.891 4.120 0.005 0.000 0.333 165 V C 0.929 177.001 176.094 -0.037 0.000 1.424 165 V CA -0.497 61.778 62.300 -0.042 0.000 1.125 165 V CB -0.319 31.486 31.823 -0.030 0.000 1.075 165 V HN 0.399 nan 8.190 nan 0.000 0.482 166 A N 0.836 123.609 122.820 -0.077 0.000 2.520 166 A HA 0.624 4.947 4.320 0.005 0.000 0.235 166 A C 0.761 178.378 177.584 0.056 0.000 1.065 166 A CA 0.861 52.883 52.037 -0.026 0.000 0.764 166 A CB -0.119 18.923 19.000 0.071 0.000 1.002 166 A HN 1.098 nan 8.150 nan 0.000 0.502 167 G N 0.387 109.239 108.800 0.085 0.000 2.473 167 G HA2 0.572 4.535 3.960 0.005 0.000 0.321 167 G HA3 0.572 4.535 3.960 0.005 0.000 0.321 167 G C -0.910 174.033 174.900 0.071 0.000 1.200 167 G CA -0.508 44.638 45.100 0.076 0.000 0.963 167 G HN 0.698 nan 8.290 nan 0.000 0.483 168 Q N 0.784 120.607 119.800 0.038 0.000 2.333 168 Q HA 0.284 4.627 4.340 0.005 0.000 0.268 168 Q C -0.522 175.479 176.000 0.003 0.000 1.007 168 Q CA -0.482 55.339 55.803 0.029 0.000 0.810 168 Q CB 2.658 31.409 28.738 0.022 0.000 1.264 168 Q HN 0.398 nan 8.270 nan 0.000 0.452 169 L N 3.234 124.458 121.223 0.002 0.000 2.648 169 L HA 0.106 4.449 4.340 0.005 0.000 0.238 169 L C 1.191 178.052 176.870 -0.015 0.000 1.316 169 L CA -0.172 54.656 54.840 -0.020 0.000 1.241 169 L CB -0.229 41.818 42.059 -0.021 0.000 1.499 169 L HN 0.651 nan 8.230 nan 0.000 0.411 170 T N -4.157 110.389 114.554 -0.013 0.000 2.715 170 T HA 0.018 4.371 4.350 0.005 0.000 0.320 170 T C 1.212 175.904 174.700 -0.014 0.000 1.046 170 T CA -0.269 61.825 62.100 -0.010 0.000 0.983 170 T CB 0.708 69.572 68.868 -0.007 0.000 1.183 170 T HN 0.379 nan 8.240 nan 0.000 0.522 171 D N 0.891 121.285 120.400 -0.010 0.000 2.106 171 D HA -0.137 4.506 4.640 0.005 0.000 0.191 171 D C 1.999 178.291 176.300 -0.014 0.000 0.997 171 D CA 2.200 56.194 54.000 -0.010 0.000 0.834 171 D CB -1.217 39.580 40.800 -0.006 0.000 0.956 171 D HN 0.821 nan 8.370 nan 0.000 0.448 172 T N -1.716 112.829 114.554 -0.015 0.000 3.188 172 T HA 0.113 4.466 4.350 0.005 0.000 0.250 172 T C 0.506 175.191 174.700 -0.025 0.000 1.077 172 T CA -0.422 61.667 62.100 -0.018 0.000 0.967 172 T CB -0.254 68.606 68.868 -0.015 0.000 1.006 172 T HN 0.316 nan 8.240 nan 0.000 0.552 173 Q N 1.181 120.963 119.800 -0.030 0.000 3.550 173 Q HA 0.365 4.708 4.340 0.005 0.000 0.206 173 Q C 0.628 176.597 176.000 -0.052 0.000 0.891 173 Q CA -0.450 55.326 55.803 -0.045 0.000 0.737 173 Q CB 0.187 28.897 28.738 -0.046 0.000 1.417 173 Q HN 0.550 nan 8.270 nan 0.000 0.460 174 I N -2.253 118.286 120.570 -0.051 0.000 3.334 174 I HA 0.134 4.307 4.170 0.005 0.000 0.282 174 I C -0.351 175.722 176.117 -0.073 0.000 1.313 174 I CA 0.485 61.755 61.300 -0.050 0.000 1.396 174 I CB 0.122 38.099 38.000 -0.038 0.000 1.054 174 I HN 0.177 nan 8.210 nan 0.000 0.495 175 K N 1.316 121.651 120.400 -0.108 0.000 2.551 175 K HA 0.551 4.874 4.320 0.005 0.000 0.269 175 K C -0.936 175.504 176.600 -0.267 0.000 0.949 175 K CA -0.883 55.300 56.287 -0.175 0.000 0.849 175 K CB 2.341 34.749 32.500 -0.153 0.000 1.411 175 K HN -0.060 nan 8.250 nan 0.000 0.432 176 R N 1.088 121.284 120.500 -0.506 0.000 2.797 176 R HA 0.528 4.871 4.340 0.005 0.000 0.251 176 R C 0.062 175.871 176.300 -0.818 0.000 1.107 176 R CA -0.804 54.932 56.100 -0.606 0.000 1.084 176 R CB 0.541 30.469 30.300 -0.619 0.000 1.205 176 R HN 0.679 nan 8.270 nan 0.000 0.515 180 V N 4.514 124.567 119.914 0.232 0.000 3.114 180 V HA 1.016 5.139 4.120 0.005 0.000 0.308 180 V C -0.076 176.040 176.094 0.037 0.000 1.168 180 V CA 0.582 62.919 62.300 0.062 0.000 1.015 180 V CB 1.915 33.787 31.823 0.082 0.000 1.050 180 V HN 1.244 nan 8.190 nan 0.000 0.433 181 G N 2.898 111.694 108.800 -0.007 0.000 2.352 181 G HA2 0.068 4.031 3.960 0.005 0.000 0.324 181 G HA3 0.068 4.031 3.960 0.005 0.000 0.324 181 G C -0.539 174.364 174.900 0.006 0.000 1.249 181 G CA -0.166 44.941 45.100 0.012 0.000 1.053 181 G HN 1.044 nan 8.290 nan 0.000 0.492 182 T N 2.861 117.469 114.554 0.090 0.000 2.772 182 T HA 0.571 4.924 4.350 0.005 0.000 0.288 182 T C -1.280 173.545 174.700 0.208 0.000 0.994 182 T CA -0.550 61.643 62.100 0.156 0.000 0.951 182 T CB 2.063 71.104 68.868 0.289 0.000 0.933 182 T HN 0.332 nan 8.240 nan 0.000 0.447 183 P HA -0.214 nan 4.420 nan 0.000 0.221 183 P C 1.167 178.402 177.300 -0.108 0.000 1.160 183 P CA 1.573 64.591 63.100 -0.135 0.000 0.933 183 P CB -0.093 31.388 31.700 -0.364 0.000 0.793 184 F N -2.878 117.086 119.950 0.024 0.000 2.202 184 F HA -0.150 4.380 4.527 0.004 0.000 0.301 184 F C 2.119 177.785 175.800 -0.224 0.000 1.082 184 F CA 0.657 58.520 58.000 -0.229 0.000 1.313 184 F CB -0.651 37.931 39.000 -0.696 0.000 1.024 184 F HN 0.059 nan 8.300 nan 0.000 0.495 185 W N -0.543 120.892 121.300 0.226 0.000 3.220 185 W HA 0.272 4.934 4.660 0.004 0.000 0.328 185 W C 0.175 176.846 176.519 0.253 0.000 1.205 185 W CA -0.186 57.290 57.345 0.218 0.000 1.773 185 W CB -0.315 29.221 29.460 0.127 0.000 1.086 185 W HN -0.081 nan 8.180 nan 0.000 0.622 186 M N 0.681 120.476 119.600 0.325 0.000 2.217 186 M HA 0.327 4.810 4.480 0.005 0.000 0.354 186 M C 0.735 176.952 176.300 -0.138 0.000 1.225 186 M CA -0.073 55.304 55.300 0.129 0.000 1.137 186 M CB 0.944 33.581 32.600 0.062 0.000 1.576 186 M HN -0.239 nan 8.290 nan 0.000 0.461 187 A N 5.276 127.863 122.820 -0.388 0.000 2.425 187 A HA 0.312 4.635 4.320 0.005 0.000 0.242 187 A C -1.523 175.560 177.584 -0.835 0.000 1.077 187 A CA -1.252 50.155 52.037 -1.049 0.000 0.781 187 A CB -0.392 18.264 19.000 -0.574 0.000 1.020 187 A HN 0.672 nan 8.150 nan 0.000 0.494 188 P HA -0.235 nan 4.420 nan 0.000 0.215 188 P C 1.108 178.169 177.300 -0.399 0.000 1.157 188 P CA 1.736 64.480 63.100 -0.594 0.000 0.868 188 P CB -0.032 31.326 31.700 -0.571 0.000 0.788 189 E N 0.396 120.375 120.200 -0.368 0.000 2.265 189 E HA -0.095 4.258 4.350 0.005 0.000 0.196 189 E C 1.958 178.427 176.600 -0.218 0.000 0.996 189 E CA 1.000 57.265 56.400 -0.226 0.000 0.832 189 E CB -1.429 28.192 29.700 -0.131 0.000 0.756 189 E HN 0.108 nan 8.360 nan 0.000 0.491 190 V N 1.526 121.200 119.914 -0.400 0.000 2.323 190 V HA -0.188 3.935 4.120 0.005 0.000 0.244 190 V C 2.585 178.527 176.094 -0.253 0.000 1.041 190 V CA 1.361 63.392 62.300 -0.447 0.000 1.025 190 V CB -0.399 31.072 31.823 -0.587 0.000 0.656 190 V HN 0.161 nan 8.190 nan 0.000 0.451 191 I N 0.805 121.205 120.570 -0.283 0.000 2.118 191 I HA -0.268 3.905 4.170 0.005 0.000 0.241 191 I C 2.140 177.871 176.117 -0.645 0.000 1.070 191 I CA 1.926 62.966 61.300 -0.432 0.000 1.327 191 I CB -0.346 37.527 38.000 -0.212 0.000 1.034 191 I HN 0.378 nan 8.210 nan 0.000 0.405 192 K N 1.878 122.060 120.400 -0.364 0.000 2.627 192 K HA -0.003 4.320 4.320 0.005 0.000 0.212 192 K C 0.515 176.990 176.600 -0.209 0.000 1.041 192 K CA -0.084 56.033 56.287 -0.284 0.000 1.205 192 K CB -0.086 32.301 32.500 -0.188 0.000 0.936 192 K HN 0.292 nan 8.250 nan 0.000 0.489 193 Q N 1.494 121.168 119.800 -0.211 0.000 2.349 193 Q HA -0.194 4.149 4.340 0.005 0.000 0.340 193 Q C -1.081 174.912 176.000 -0.011 0.000 1.268 193 Q CA 0.364 56.136 55.803 -0.052 0.000 1.017 193 Q CB -1.057 27.641 28.738 -0.065 0.000 1.258 193 Q HN 0.548 nan 8.270 nan 0.000 0.438 194 S N -0.509 115.194 115.700 0.005 0.000 2.614 194 S HA 0.541 5.014 4.470 0.005 0.000 0.265 194 S C 0.085 174.710 174.600 0.042 0.000 1.303 194 S CA -0.140 58.057 58.200 -0.004 0.000 1.000 194 S CB 1.226 64.410 63.200 -0.027 0.000 0.935 194 S HN 0.563 nan 8.310 nan 0.000 0.551 195 A N 1.403 124.207 122.820 -0.026 0.000 2.477 195 A HA 0.514 4.837 4.320 0.005 0.000 0.246 195 A C -0.463 177.107 177.584 -0.023 0.000 1.078 195 A CA -0.036 51.941 52.037 -0.100 0.000 0.770 195 A CB -0.510 18.432 19.000 -0.097 0.000 1.011 195 A HN 0.759 nan 8.150 nan 0.000 0.494 196 Y N 0.189 120.456 120.300 -0.055 0.000 2.669 196 Y HA 0.811 5.364 4.550 0.005 0.000 0.335 196 Y C -0.442 175.429 175.900 -0.048 0.000 1.116 196 Y CA -1.134 56.931 58.100 -0.059 0.000 1.081 196 Y CB 1.154 39.574 38.460 -0.065 0.000 1.297 196 Y HN 0.655 nan 8.280 nan 0.000 0.484 197 D N -1.331 119.214 120.400 0.242 0.000 3.225 197 D HA 0.186 4.829 4.640 0.005 0.000 0.294 197 D C 0.917 177.259 176.300 0.070 0.000 1.306 197 D CA 0.085 54.144 54.000 0.099 0.000 1.019 197 D CB -0.049 40.750 40.800 -0.002 0.000 1.344 197 D HN 0.574 nan 8.370 nan 0.000 0.615 198 S N -0.717 114.912 115.700 -0.118 0.000 2.420 198 S HA -0.207 4.266 4.470 0.005 0.000 0.237 198 S C 1.445 175.901 174.600 -0.239 0.000 1.023 198 S CA 0.778 58.723 58.200 -0.426 0.000 0.991 198 S CB -0.549 62.081 63.200 -0.950 0.000 0.792 198 S HN 0.363 nan 8.310 nan 0.000 0.488 199 K N 1.870 122.224 120.400 -0.076 0.000 2.281 199 K HA 0.113 4.436 4.320 0.005 0.000 0.203 199 K C 2.355 178.998 176.600 0.072 0.000 1.046 199 K CA 1.146 57.443 56.287 0.017 0.000 0.938 199 K CB -1.063 31.457 32.500 0.033 0.000 0.737 199 K HN 0.573 nan 8.250 nan 0.000 0.458 200 A N 1.869 124.716 122.820 0.046 0.000 1.933 200 A HA -0.182 4.141 4.320 0.005 0.000 0.218 200 A C 1.723 179.380 177.584 0.121 0.000 1.175 200 A CA 1.750 53.790 52.037 0.004 0.000 0.628 200 A CB -0.280 18.615 19.000 -0.174 0.000 0.814 200 A HN 0.176 nan 8.150 nan 0.000 0.444 201 D N -0.089 120.401 120.400 0.150 0.000 2.219 201 D HA -0.093 4.550 4.640 0.005 0.000 0.205 201 D C 1.801 178.226 176.300 0.208 0.000 0.970 201 D CA 0.719 54.846 54.000 0.212 0.000 0.851 201 D CB -0.159 40.855 40.800 0.356 0.000 0.943 201 D HN 0.335 nan 8.370 nan 0.000 0.488 202 I N 0.330 121.022 120.570 0.202 0.000 2.252 202 I HA -0.198 3.975 4.170 0.005 0.000 0.245 202 I C 2.360 178.555 176.117 0.129 0.000 1.102 202 I CA 0.643 62.032 61.300 0.148 0.000 1.385 202 I CB -1.168 36.901 38.000 0.115 0.000 1.064 202 I HN 0.268 nan 8.210 nan 0.000 0.414 203 W N 2.251 123.555 121.300 0.006 0.000 2.355 203 W HA -0.203 4.460 4.660 0.004 0.000 0.309 203 W C 2.446 178.985 176.519 0.034 0.000 1.206 203 W CA 1.767 59.110 57.345 -0.003 0.000 1.284 203 W CB -0.454 28.995 29.460 -0.017 0.000 1.145 203 W HN 0.088 nan 8.180 nan 0.000 0.502 204 S N 1.435 117.351 115.700 0.360 0.000 2.399 204 S HA -0.232 4.241 4.470 0.005 0.000 0.231 204 S C 1.764 176.464 174.600 0.168 0.000 1.022 204 S CA 1.498 59.886 58.200 0.313 0.000 0.983 204 S CB -0.752 62.611 63.200 0.273 0.000 0.803 204 S HN 0.312 nan 8.310 nan 0.000 0.480 205 L N 1.971 123.249 121.223 0.093 0.000 2.083 205 L HA 0.040 4.383 4.340 0.005 0.000 0.209 205 L C 2.215 179.100 176.870 0.024 0.000 1.083 205 L CA 1.806 56.683 54.840 0.062 0.000 0.752 205 L CB -1.028 41.074 42.059 0.070 0.000 0.899 205 L HN 0.300 nan 8.230 nan 0.000 0.433 206 G N -0.219 108.520 108.800 -0.102 0.000 2.422 206 G HA2 -0.178 3.785 3.960 0.005 0.000 0.218 206 G HA3 -0.178 3.785 3.960 0.005 0.000 0.218 206 G C 1.472 176.237 174.900 -0.225 0.000 1.140 206 G CA 0.796 45.776 45.100 -0.199 0.000 0.775 206 G HN 0.346 nan 8.290 nan 0.000 0.545 207 I N 1.633 122.060 120.570 -0.238 0.000 2.315 207 I HA -0.090 4.083 4.170 0.005 0.000 0.248 207 I C 2.802 178.909 176.117 -0.017 0.000 1.117 207 I CA 1.279 62.458 61.300 -0.201 0.000 1.404 207 I CB -1.448 36.469 38.000 -0.138 0.000 1.071 207 I HN 0.090 nan 8.210 nan 0.000 0.419 208 T N 1.276 115.922 114.554 0.154 0.000 2.867 208 T HA -0.054 4.299 4.350 0.005 0.000 0.268 208 T C 2.052 176.774 174.700 0.036 0.000 1.057 208 T CA 1.286 63.495 62.100 0.183 0.000 1.136 208 T CB -0.162 68.781 68.868 0.126 0.000 0.874 208 T HN 0.429 nan 8.240 nan 0.000 0.466 209 A N 1.311 124.125 122.820 -0.010 0.000 1.873 209 A HA 0.024 4.347 4.320 0.005 0.000 0.215 209 A C 2.263 179.749 177.584 -0.165 0.000 1.186 209 A CA 1.032 53.025 52.037 -0.073 0.000 0.616 209 A CB -0.721 18.270 19.000 -0.015 0.000 0.823 209 A HN 0.497 nan 8.150 nan 0.000 0.442 210 I N -0.419 120.037 120.570 -0.190 0.000 2.208 210 I HA -0.287 3.886 4.170 0.005 0.000 0.245 210 I C 2.602 178.597 176.117 -0.203 0.000 1.097 210 I CA 1.894 63.039 61.300 -0.258 0.000 1.363 210 I CB -0.352 37.481 38.000 -0.278 0.000 1.051 210 I HN 0.584 nan 8.210 nan 0.000 0.413 211 E N 1.497 121.626 120.200 -0.118 0.000 2.085 211 E HA -0.234 4.119 4.350 0.005 0.000 0.194 211 E C 2.322 178.889 176.600 -0.056 0.000 0.994 211 E CA 1.292 57.663 56.400 -0.050 0.000 0.801 211 E CB -0.076 29.703 29.700 0.131 0.000 0.743 211 E HN 0.479 nan 8.360 nan 0.000 0.453 212 L N 0.126 121.313 121.223 -0.061 0.000 2.201 212 L HA -0.080 4.263 4.340 0.005 0.000 0.212 212 L C 2.503 179.323 176.870 -0.083 0.000 1.105 212 L CA 0.872 55.673 54.840 -0.066 0.000 0.775 212 L CB -0.244 41.779 42.059 -0.060 0.000 0.913 212 L HN 0.212 nan 8.230 nan 0.000 0.440 213 A N -0.259 122.469 122.820 -0.153 0.000 1.984 213 A HA 0.007 4.330 4.320 0.005 0.000 0.214 213 A C 2.263 179.797 177.584 -0.083 0.000 1.173 213 A CA 0.655 52.584 52.037 -0.180 0.000 0.673 213 A CB -0.035 18.627 19.000 -0.564 0.000 0.830 213 A HN 0.300 nan 8.150 nan 0.000 0.453 214 R N -2.499 117.930 120.500 -0.118 0.000 2.419 214 R HA 0.288 4.631 4.340 0.005 0.000 0.235 214 R C 1.270 177.534 176.300 -0.060 0.000 0.899 214 R CA 0.674 56.738 56.100 -0.059 0.000 1.048 214 R CB 0.626 30.863 30.300 -0.105 0.000 1.182 214 R HN 0.593 nan 8.270 nan 0.000 0.544 215 G N 0.512 109.269 108.800 -0.070 0.000 2.258 215 G HA2 -0.203 3.760 3.960 0.005 0.000 0.233 215 G HA3 -0.203 3.760 3.960 0.005 0.000 0.233 215 G C -0.037 174.826 174.900 -0.063 0.000 1.006 215 G CA -0.106 44.957 45.100 -0.062 0.000 0.620 215 G HN 0.234 nan 8.290 nan 0.000 0.511 216 E N 0.611 120.749 120.200 -0.103 0.000 2.408 216 E HA 0.479 4.832 4.350 0.005 0.000 0.275 216 E C -2.823 173.629 176.600 -0.246 0.000 0.935 216 E CA -1.538 54.771 56.400 -0.152 0.000 0.775 216 E CB 3.082 32.666 29.700 -0.195 0.000 1.277 216 E HN 0.203 nan 8.360 nan 0.000 0.455 217 P HA 0.333 nan 4.420 nan 0.000 0.278 217 P C -2.602 174.383 177.300 -0.525 0.000 1.266 217 P CA -1.683 61.092 63.100 -0.542 0.000 0.807 217 P CB -0.285 30.809 31.700 -1.009 0.000 1.094 218 P HA 0.022 nan 4.420 nan 0.000 0.269 218 P C -0.027 176.986 177.300 -0.477 0.000 1.215 218 P CA 0.796 63.583 63.100 -0.522 0.000 0.780 218 P CB -0.250 31.078 31.700 -0.619 0.000 0.898 219 H N -0.637 118.304 119.070 -0.216 0.000 3.237 219 H HA -0.149 4.410 4.556 0.005 0.000 0.231 219 H C 1.298 176.412 175.328 -0.356 0.000 1.148 219 H CA 1.149 57.111 56.048 -0.143 0.000 1.155 219 H CB -2.236 27.562 29.762 0.060 0.000 1.210 219 H HN 0.525 nan 8.280 nan 0.000 0.317 220 S N -0.120 115.235 115.700 -0.575 0.000 2.469 220 S HA -0.109 4.364 4.470 0.005 0.000 0.238 220 S C 1.507 175.865 174.600 -0.405 0.000 0.998 220 S CA 1.296 58.943 58.200 -0.921 0.000 0.957 220 S CB 0.261 63.052 63.200 -0.682 0.000 0.764 220 S HN 0.290 nan 8.310 nan 0.000 0.514 221 E N 0.707 120.805 120.200 -0.169 0.000 2.474 221 E HA 0.370 4.723 4.350 0.005 0.000 0.195 221 E C 0.258 176.886 176.600 0.046 0.000 1.039 221 E CA -0.063 56.310 56.400 -0.046 0.000 0.881 221 E CB -0.013 29.666 29.700 -0.035 0.000 0.970 221 E HN 0.587 nan 8.360 nan 0.000 0.486 222 L N 0.488 121.773 121.223 0.103 0.000 2.399 222 L HA 0.270 4.613 4.340 0.005 0.000 0.265 222 L C 0.599 177.599 176.870 0.217 0.000 1.089 222 L CA -0.929 54.004 54.840 0.155 0.000 0.802 222 L CB 0.646 42.780 42.059 0.124 0.000 1.180 222 L HN 0.023 nan 8.230 nan 0.000 0.454 223 H N 3.179 122.311 119.070 0.104 0.000 2.848 223 H HA 0.062 4.621 4.556 0.004 0.000 0.341 223 H C -1.690 173.642 175.328 0.007 0.000 1.060 223 H CA -0.904 55.190 56.048 0.077 0.000 1.444 223 H CB 1.115 30.905 29.762 0.047 0.000 1.446 223 H HN 0.254 nan 8.280 nan 0.000 0.583 224 P HA -0.284 nan 4.420 nan 0.000 0.216 224 P C 1.604 178.819 177.300 -0.141 0.000 1.154 224 P CA 1.655 64.477 63.100 -0.464 0.000 0.865 224 P CB 0.118 31.506 31.700 -0.520 0.000 0.789 225 M N -0.917 118.823 119.600 0.234 0.000 2.149 225 M HA -0.187 4.296 4.480 0.005 0.000 0.261 225 M C 2.154 178.545 176.300 0.151 0.000 1.064 225 M CA 1.890 57.324 55.300 0.223 0.000 1.102 225 M CB -0.514 32.237 32.600 0.251 0.000 1.369 225 M HN -0.055 nan 8.290 nan 0.000 0.408 226 K N -0.478 120.000 120.400 0.129 0.000 2.097 226 K HA -0.093 4.230 4.320 0.005 0.000 0.205 226 K C 1.757 178.034 176.600 -0.539 0.000 1.050 226 K CA 1.076 57.332 56.287 -0.052 0.000 0.938 226 K CB -0.086 32.418 32.500 0.006 0.000 0.718 226 K HN 0.187 nan 8.250 nan 0.000 0.442 227 V N 1.526 121.246 119.914 -0.323 0.000 2.407 227 V HA -0.240 3.883 4.120 0.005 0.000 0.248 227 V C 2.129 178.031 176.094 -0.320 0.000 1.055 227 V CA 1.285 63.358 62.300 -0.379 0.000 1.049 227 V CB -0.410 31.254 31.823 -0.265 0.000 0.662 227 V HN 0.228 nan 8.190 nan 0.000 0.455 228 L N 0.262 121.382 121.223 -0.172 0.000 2.081 228 L HA -0.205 4.138 4.340 0.005 0.000 0.212 228 L C 2.200 179.058 176.870 -0.020 0.000 1.080 228 L CA 2.400 57.227 54.840 -0.022 0.000 0.754 228 L CB -0.739 41.389 42.059 0.115 0.000 0.893 228 L HN 0.625 nan 8.230 nan 0.000 0.433 229 F N -3.633 116.300 119.950 -0.029 0.000 2.530 229 F HA 0.154 4.684 4.527 0.004 0.000 0.292 229 F C 1.828 177.594 175.800 -0.056 0.000 1.109 229 F CA 0.291 58.266 58.000 -0.042 0.000 1.450 229 F CB -0.972 38.009 39.000 -0.032 0.000 1.114 229 F HN -0.115 nan 8.300 nan 0.000 0.560 230 L N 0.676 121.422 121.223 -0.795 0.000 2.017 230 L HA -0.154 4.189 4.340 0.005 0.000 0.208 230 L C 2.546 179.311 176.870 -0.175 0.000 1.073 230 L CA 1.510 56.047 54.840 -0.506 0.000 0.745 230 L CB -0.739 40.863 42.059 -0.762 0.000 0.894 230 L HN 0.171 nan 8.230 nan 0.000 0.432 231 I N -0.164 120.317 120.570 -0.149 0.000 2.118 231 I HA -0.239 3.934 4.170 0.005 0.000 0.241 231 I C -0.328 175.750 176.117 -0.065 0.000 1.070 231 I CA 1.686 62.971 61.300 -0.025 0.000 1.327 231 I CB -1.459 36.520 38.000 -0.035 0.000 1.034 231 I HN 0.216 nan 8.210 nan 0.000 0.405 232 P HA -0.163 nan 4.420 nan 0.000 0.217 232 P C 1.523 178.805 177.300 -0.030 0.000 1.151 232 P CA 1.336 64.379 63.100 -0.094 0.000 0.828 232 P CB -0.048 31.600 31.700 -0.088 0.000 0.788 233 K N -0.574 119.837 120.400 0.018 0.000 2.001 233 K HA -0.062 4.261 4.320 0.005 0.000 0.208 233 K C 0.551 177.183 176.600 0.053 0.000 1.048 233 K CA 1.061 57.380 56.287 0.053 0.000 0.932 233 K CB -0.324 32.253 32.500 0.128 0.000 0.715 233 K HN 0.089 nan 8.250 nan 0.000 0.437 234 N N 1.711 120.447 118.700 0.060 0.000 2.424 234 N HA 0.012 4.755 4.740 0.005 0.000 0.257 234 N C -0.312 175.256 175.510 0.098 0.000 1.250 234 N CA -0.218 52.881 53.050 0.081 0.000 0.946 234 N CB 0.112 38.660 38.487 0.102 0.000 1.175 234 N HN 0.126 nan 8.380 nan 0.000 0.477 235 N N 1.505 120.259 118.700 0.091 0.000 2.441 235 N HA 0.106 4.849 4.740 0.005 0.000 0.251 235 N C -2.159 173.429 175.510 0.130 0.000 1.242 235 N CA -0.467 52.639 53.050 0.093 0.000 0.898 235 N CB -0.180 38.346 38.487 0.065 0.000 1.100 235 N HN 0.374 nan 8.380 nan 0.000 0.443 236 P HA 0.138 nan 4.420 nan 0.000 0.269 236 P C -2.463 174.853 177.300 0.027 0.000 1.215 236 P CA -0.711 62.504 63.100 0.190 0.000 0.780 236 P CB -0.418 31.385 31.700 0.171 0.000 0.898 237 P HA 0.147 nan 4.420 nan 0.000 0.272 237 P C -0.176 177.016 177.300 -0.179 0.000 1.230 237 P CA 0.211 63.221 63.100 -0.150 0.000 0.788 237 P CB 0.257 31.805 31.700 -0.253 0.000 0.949 238 T N -1.290 113.171 114.554 -0.154 0.000 2.916 238 T HA 0.527 4.880 4.350 0.005 0.000 0.292 238 T C -0.592 174.011 174.700 -0.162 0.000 1.064 238 T CA -0.981 61.031 62.100 -0.145 0.000 1.011 238 T CB 1.067 69.881 68.868 -0.090 0.000 1.152 238 T HN 0.205 nan 8.240 nan 0.000 0.510 239 L N 2.282 123.403 121.223 -0.170 0.000 2.265 239 L HA 0.518 4.861 4.340 0.005 0.000 0.288 239 L C 0.207 177.025 176.870 -0.086 0.000 1.058 239 L CA -0.152 54.568 54.840 -0.199 0.000 0.809 239 L CB 0.162 42.037 42.059 -0.307 0.000 1.179 239 L HN 0.929 nan 8.230 nan 0.000 0.429 240 E N 4.304 124.482 120.200 -0.037 0.000 2.235 240 E HA 0.881 5.234 4.350 0.005 0.000 0.265 240 E C -0.147 176.556 176.600 0.171 0.000 0.940 240 E CA -0.495 55.929 56.400 0.041 0.000 0.819 240 E CB 1.683 31.384 29.700 0.002 0.000 1.206 240 E HN 0.906 nan 8.360 nan 0.000 0.409 241 G N 1.551 110.430 108.800 0.132 0.000 2.422 241 G HA2 -0.192 3.771 3.960 0.005 0.000 0.607 241 G HA3 -0.192 3.771 3.960 0.005 0.000 0.607 241 G C -1.049 173.813 174.900 -0.063 0.000 1.270 241 G CA -0.461 44.683 45.100 0.074 0.000 0.992 241 G HN 0.685 nan 8.290 nan 0.000 0.499 242 N N 0.623 119.122 118.700 -0.336 0.000 2.739 242 N HA 0.504 5.247 4.740 0.005 0.000 0.266 242 N C -1.028 174.055 175.510 -0.713 0.000 1.168 242 N CA 0.073 52.891 53.050 -0.386 0.000 1.055 242 N CB -0.742 37.563 38.487 -0.304 0.000 1.393 242 N HN 0.491 nan 8.380 nan 0.000 0.514 243 Y N -0.274 119.999 120.300 -0.044 0.000 2.512 243 Y HA 0.317 4.869 4.550 0.005 0.000 0.348 243 Y C 0.748 176.627 175.900 -0.035 0.000 0.990 243 Y CA -1.156 56.913 58.100 -0.052 0.000 1.033 243 Y CB 1.304 39.705 38.460 -0.099 0.000 1.259 243 Y HN 0.284 nan 8.280 nan 0.000 0.461 244 S N 0.893 116.667 115.700 0.123 0.000 2.572 244 S HA 0.032 4.505 4.470 0.005 0.000 0.267 244 S C 1.102 175.754 174.600 0.087 0.000 1.361 244 S CA -0.342 57.917 58.200 0.098 0.000 1.009 244 S CB 0.966 64.252 63.200 0.143 0.000 0.888 244 S HN 0.890 nan 8.310 nan 0.000 0.553 245 K N 1.156 121.603 120.400 0.079 0.000 2.057 245 K HA 0.013 4.336 4.320 0.005 0.000 0.206 245 K C -0.934 175.725 176.600 0.098 0.000 1.050 245 K CA 1.038 57.367 56.287 0.071 0.000 0.935 245 K CB -1.176 31.360 32.500 0.061 0.000 0.715 245 K HN 0.493 nan 8.250 nan 0.000 0.439 246 P HA -0.181 nan 4.420 nan 0.000 0.216 246 P C 1.148 178.563 177.300 0.192 0.000 1.150 246 P CA 0.879 64.147 63.100 0.280 0.000 0.837 246 P CB 0.084 31.996 31.700 0.355 0.000 0.786 247 L N 0.106 121.271 121.223 -0.096 0.000 2.027 247 L HA -0.111 4.232 4.340 0.005 0.000 0.206 247 L C 1.947 178.628 176.870 -0.315 0.000 1.074 247 L CA 2.007 56.432 54.840 -0.691 0.000 0.745 247 L CB -1.164 40.389 42.059 -0.844 0.000 0.898 247 L HN -0.206 nan 8.230 nan 0.000 0.433 248 K N -0.382 119.933 120.400 -0.141 0.000 2.103 248 K HA -0.186 4.137 4.320 0.005 0.000 0.207 248 K C 1.966 178.533 176.600 -0.055 0.000 1.048 248 K CA 1.898 58.128 56.287 -0.095 0.000 0.930 248 K CB -0.162 32.321 32.500 -0.028 0.000 0.716 248 K HN 0.502 nan 8.250 nan 0.000 0.444 249 E N -0.151 120.061 120.200 0.020 0.000 2.152 249 E HA -0.158 4.195 4.350 0.005 0.000 0.192 249 E C 1.764 178.372 176.600 0.013 0.000 0.983 249 E CA 0.669 57.111 56.400 0.071 0.000 0.818 249 E CB -0.090 29.718 29.700 0.181 0.000 0.758 249 E HN 0.237 nan 8.360 nan 0.000 0.467 250 F N 1.278 121.063 119.950 -0.275 0.000 2.134 250 F HA -0.210 4.320 4.527 0.005 0.000 0.299 250 F C 2.067 177.662 175.800 -0.342 0.000 1.097 250 F CA 1.036 58.689 58.000 -0.578 0.000 1.264 250 F CB -0.190 38.435 39.000 -0.624 0.000 1.001 250 F HN -0.219 nan 8.300 nan 0.000 0.479 251 V N 0.523 120.386 119.914 -0.086 0.000 2.295 251 V HA -0.283 3.840 4.120 0.005 0.000 0.246 251 V C 2.458 178.408 176.094 -0.240 0.000 1.049 251 V CA 2.266 64.464 62.300 -0.171 0.000 1.024 251 V CB -0.680 31.031 31.823 -0.186 0.000 0.648 251 V HN 0.358 nan 8.190 nan 0.000 0.447 252 E N -0.055 120.041 120.200 -0.173 0.000 2.070 252 E HA -0.276 4.077 4.350 0.005 0.000 0.197 252 E C 2.333 178.849 176.600 -0.140 0.000 1.004 252 E CA 1.592 57.913 56.400 -0.132 0.000 0.805 252 E CB -0.229 29.431 29.700 -0.067 0.000 0.744 252 E HN 0.572 nan 8.360 nan 0.000 0.451 253 A N 0.538 123.253 122.820 -0.175 0.000 1.908 253 A HA -0.225 4.098 4.320 0.005 0.000 0.218 253 A C 2.528 180.001 177.584 -0.184 0.000 1.181 253 A CA 1.635 53.576 52.037 -0.161 0.000 0.627 253 A CB -0.886 18.000 19.000 -0.189 0.000 0.818 253 A HN 0.424 nan 8.150 nan 0.000 0.445 254 C N -0.923 118.189 119.300 -0.315 0.000 2.446 254 C HA 0.101 4.564 4.460 0.005 0.000 0.277 254 C C 1.459 176.332 174.990 -0.196 0.000 1.275 254 C CA 0.128 58.990 59.018 -0.259 0.000 1.727 254 C CB -1.282 26.250 27.740 -0.346 0.000 2.010 254 C HN 0.504 nan 8.230 nan 0.000 0.486 255 L N 2.495 123.527 121.223 -0.318 0.000 2.536 255 L HA 0.231 4.574 4.340 0.005 0.000 0.242 255 L C 0.057 176.893 176.870 -0.057 0.000 1.280 255 L CA 0.102 54.653 54.840 -0.483 0.000 1.221 255 L CB -0.959 40.648 42.059 -0.753 0.000 1.449 255 L HN 0.420 nan 8.230 nan 0.000 0.405 256 N N 1.453 120.265 118.700 0.186 0.000 2.399 256 N HA 0.151 4.894 4.740 0.005 0.000 0.295 256 N C 0.772 176.489 175.510 0.346 0.000 1.048 256 N CA -0.471 52.719 53.050 0.234 0.000 0.886 256 N CB 1.626 40.244 38.487 0.218 0.000 1.185 256 N HN 0.179 nan 8.380 nan 0.000 0.487 257 K N 0.945 121.501 120.400 0.260 0.000 2.209 257 K HA -0.149 4.174 4.320 0.005 0.000 0.204 257 K C 0.111 176.695 176.600 -0.026 0.000 1.048 257 K CA 0.977 57.338 56.287 0.124 0.000 0.940 257 K CB -0.070 32.465 32.500 0.058 0.000 0.729 257 K HN 0.563 nan 8.250 nan 0.000 0.451 258 E N 2.043 122.202 120.200 -0.070 0.000 2.105 258 E HA 0.054 4.407 4.350 0.005 0.000 0.285 258 E C -1.869 174.623 176.600 -0.181 0.000 1.055 258 E CA -2.508 53.711 56.400 -0.302 0.000 0.843 258 E CB 1.214 30.398 29.700 -0.860 0.000 1.067 258 E HN -0.133 nan 8.360 nan 0.000 0.398 259 P HA -0.143 nan 4.420 nan 0.000 0.218 259 P C 0.667 177.966 177.300 -0.001 0.000 1.148 259 P CA 1.005 64.084 63.100 -0.035 0.000 0.822 259 P CB 0.313 31.990 31.700 -0.038 0.000 0.784 260 S N -0.928 114.729 115.700 -0.073 0.000 2.474 260 S HA -0.024 4.449 4.470 0.005 0.000 0.235 260 S C 1.302 176.097 174.600 0.325 0.000 0.997 260 S CA 0.698 58.938 58.200 0.067 0.000 0.949 260 S CB -0.734 62.484 63.200 0.030 0.000 0.766 260 S HN 0.054 nan 8.310 nan 0.000 0.517 261 F N 1.903 121.869 119.950 0.027 0.000 2.811 261 F HA 0.257 4.787 4.527 0.005 0.000 0.301 261 F C 1.122 176.935 175.800 0.021 0.000 1.151 261 F CA -0.395 57.619 58.000 0.024 0.000 1.412 261 F CB -0.641 38.375 39.000 0.027 0.000 1.113 261 F HN -0.018 nan 8.300 nan 0.000 0.579 262 R N 1.889 122.515 120.500 0.210 0.000 2.357 262 R HA 0.251 4.594 4.340 0.005 0.000 0.296 262 R C -2.246 174.103 176.300 0.082 0.000 1.052 262 R CA -1.627 54.541 56.100 0.114 0.000 0.988 262 R CB 0.198 30.560 30.300 0.104 0.000 1.025 262 R HN -0.092 nan 8.270 nan 0.000 0.469 263 P HA 0.005 nan 4.420 nan 0.000 0.274 263 P C -0.275 177.056 177.300 0.052 0.000 1.246 263 P CA -0.340 62.784 63.100 0.040 0.000 0.795 263 P CB 0.645 32.355 31.700 0.017 0.000 1.006 264 T N -2.434 112.160 114.554 0.068 0.000 2.788 264 T HA 0.339 4.692 4.350 0.005 0.000 0.287 264 T C 1.547 176.307 174.700 0.100 0.000 1.007 264 T CA -0.009 62.151 62.100 0.100 0.000 1.005 264 T CB 0.167 69.094 68.868 0.097 0.000 1.012 264 T HN 0.420 nan 8.240 nan 0.000 0.530 265 A N 0.514 123.417 122.820 0.137 0.000 1.902 265 A HA -0.040 4.283 4.320 0.005 0.000 0.217 265 A C 2.362 179.991 177.584 0.076 0.000 1.181 265 A CA 1.792 53.885 52.037 0.094 0.000 0.623 265 A CB -0.948 18.084 19.000 0.054 0.000 0.818 265 A HN 0.975 nan 8.150 nan 0.000 0.443 266 K N -0.558 119.888 120.400 0.076 0.000 2.044 266 K HA -0.218 4.105 4.320 0.005 0.000 0.210 266 K C 1.900 178.541 176.600 0.068 0.000 1.049 266 K CA 1.742 58.067 56.287 0.063 0.000 0.927 266 K CB -0.104 32.433 32.500 0.063 0.000 0.713 266 K HN 0.395 nan 8.250 nan 0.000 0.443 267 E N 0.625 120.868 120.200 0.072 0.000 2.106 267 E HA -0.135 4.218 4.350 0.005 0.000 0.192 267 E C 2.086 178.752 176.600 0.111 0.000 0.984 267 E CA 0.793 57.238 56.400 0.076 0.000 0.806 267 E CB -0.095 29.643 29.700 0.063 0.000 0.750 267 E HN 0.369 nan 8.360 nan 0.000 0.458 268 L N 0.483 121.775 121.223 0.115 0.000 2.191 268 L HA -0.135 4.208 4.340 0.005 0.000 0.212 268 L C 2.429 179.460 176.870 0.269 0.000 1.103 268 L CA 0.493 55.444 54.840 0.185 0.000 0.769 268 L CB -0.320 41.792 42.059 0.089 0.000 0.908 268 L HN 0.094 nan 8.230 nan 0.000 0.438 269 L N -0.360 120.961 121.223 0.162 0.000 2.265 269 L HA -0.202 4.141 4.340 0.005 0.000 0.215 269 L C 1.888 178.826 176.870 0.113 0.000 1.117 269 L CA 1.267 56.178 54.840 0.118 0.000 0.782 269 L CB -0.236 41.855 42.059 0.054 0.000 0.914 269 L HN 0.245 nan 8.230 nan 0.000 0.441 270 K N -2.104 118.371 120.400 0.125 0.000 2.358 270 K HA 0.071 4.394 4.320 0.005 0.000 0.197 270 K C 0.490 177.157 176.600 0.112 0.000 1.025 270 K CA -0.236 56.105 56.287 0.089 0.000 1.104 270 K CB 0.127 32.660 32.500 0.056 0.000 0.855 270 K HN 0.153 nan 8.250 nan 0.000 0.531 271 H N 2.374 121.523 119.070 0.132 0.000 2.897 271 H HA -0.048 4.511 4.556 0.005 0.000 0.347 271 H C 1.012 176.430 175.328 0.149 0.000 1.068 271 H CA 0.984 57.140 56.048 0.181 0.000 1.426 271 H CB 1.125 31.106 29.762 0.365 0.000 1.410 271 H HN 0.126 nan 8.280 nan 0.000 0.597 272 K N 4.246 124.556 120.400 -0.149 0.000 2.211 272 K HA -0.189 4.134 4.320 0.005 0.000 0.204 272 K C 1.792 178.501 176.600 0.181 0.000 1.047 272 K CA 1.564 57.858 56.287 0.011 0.000 0.935 272 K CB -0.288 32.183 32.500 -0.049 0.000 0.728 272 K HN 0.424 nan 8.250 nan 0.000 0.452 273 F N 1.937 122.110 119.950 0.371 0.000 2.171 273 F HA -0.099 4.431 4.527 0.005 0.000 0.300 273 F C 1.738 177.566 175.800 0.048 0.000 1.090 273 F CA 1.074 59.188 58.000 0.190 0.000 1.293 273 F CB -0.010 39.068 39.000 0.129 0.000 1.013 273 F HN -0.049 nan 8.300 nan 0.000 0.486 274 I N 0.172 120.672 120.570 -0.118 0.000 2.233 274 I HA -0.241 3.932 4.170 0.005 0.000 0.243 274 I C 2.502 178.505 176.117 -0.190 0.000 1.093 274 I CA 1.092 62.238 61.300 -0.256 0.000 1.380 274 I CB -1.349 36.641 38.000 -0.017 0.000 1.067 274 I HN 0.222 nan 8.210 nan 0.000 0.413 275 L N 0.054 121.233 121.223 -0.072 0.000 2.083 275 L HA -0.174 4.169 4.340 0.005 0.000 0.209 275 L C 2.676 179.497 176.870 -0.082 0.000 1.083 275 L CA 1.279 56.086 54.840 -0.055 0.000 0.752 275 L CB -0.542 41.507 42.059 -0.017 0.000 0.899 275 L HN 0.229 nan 8.230 nan 0.000 0.433 276 R N -0.215 120.222 120.500 -0.106 0.000 2.161 276 R HA -0.024 4.319 4.340 0.005 0.000 0.213 276 R C 1.303 177.512 176.300 -0.152 0.000 1.055 276 R CA 1.086 57.127 56.100 -0.098 0.000 0.996 276 R CB 0.044 30.312 30.300 -0.053 0.000 0.901 276 R HN 0.473 nan 8.270 nan 0.000 0.456 277 N N -0.385 118.144 118.700 -0.285 0.000 2.317 277 N HA 0.116 4.859 4.740 0.005 0.000 0.199 277 N C -0.321 175.041 175.510 -0.247 0.000 1.145 277 N CA -0.018 52.854 53.050 -0.297 0.000 0.882 277 N CB 0.659 38.851 38.487 -0.492 0.000 1.113 277 N HN 0.015 nan 8.380 nan 0.000 0.486 278 A N 0.898 123.560 122.820 -0.263 0.000 2.462 278 A HA 0.438 4.761 4.320 0.005 0.000 0.243 278 A C 0.244 177.790 177.584 -0.063 0.000 1.076 278 A CA 0.520 52.458 52.037 -0.165 0.000 0.773 278 A CB 0.318 19.221 19.000 -0.161 0.000 1.010 278 A HN 0.123 nan 8.150 nan 0.000 0.493 279 K N 0.380 120.783 120.400 0.005 0.000 2.197 279 K HA 0.418 4.741 4.320 0.005 0.000 0.247 279 K C -0.314 176.351 176.600 0.110 0.000 1.077 279 K CA -0.864 55.486 56.287 0.106 0.000 0.882 279 K CB 1.072 33.709 32.500 0.228 0.000 1.396 279 K HN 0.657 nan 8.250 nan 0.000 0.482 280 K N 1.036 121.515 120.400 0.131 0.000 2.489 280 K HA -0.063 4.260 4.320 0.005 0.000 0.278 280 K C 0.540 177.094 176.600 -0.077 0.000 1.000 280 K CA 0.654 56.898 56.287 -0.073 0.000 1.012 280 K CB 0.456 32.745 32.500 -0.352 0.000 0.903 280 K HN 0.719 nan 8.250 nan 0.000 0.485 281 T N -0.870 113.651 114.554 -0.055 0.000 2.881 281 T HA -0.188 4.165 4.350 0.005 0.000 0.270 281 T C 1.831 176.502 174.700 -0.049 0.000 1.068 281 T CA 1.562 63.651 62.100 -0.019 0.000 1.131 281 T CB -0.247 68.629 68.868 0.012 0.000 0.871 281 T HN 0.633 nan 8.240 nan 0.000 0.479 282 S N 0.850 116.456 115.700 -0.156 0.000 2.442 282 S HA -0.115 4.358 4.470 0.005 0.000 0.236 282 S C 1.713 176.238 174.600 -0.125 0.000 1.007 282 S CA 0.397 58.499 58.200 -0.163 0.000 0.965 282 S CB -1.210 61.846 63.200 -0.239 0.000 0.773 282 S HN 0.715 nan 8.310 nan 0.000 0.504 283 Y N 1.455 121.758 120.300 0.005 0.000 2.574 283 Y HA 0.186 4.739 4.550 0.005 0.000 0.294 283 Y C 1.921 177.826 175.900 0.010 0.000 1.142 283 Y CA 0.208 58.310 58.100 0.003 0.000 1.314 283 Y CB -0.378 38.079 38.460 -0.005 0.000 0.991 283 Y HN 0.265 nan 8.280 nan 0.000 0.555 284 L N -0.157 121.139 121.223 0.122 0.000 2.552 284 L HA -0.115 4.228 4.340 0.005 0.000 0.227 284 L C 2.364 179.282 176.870 0.081 0.000 1.146 284 L CA 1.129 56.020 54.840 0.086 0.000 0.858 284 L CB -0.731 41.360 42.059 0.053 0.000 0.969 284 L HN 0.355 nan 8.230 nan 0.000 0.451 285 T N -3.511 111.095 114.554 0.086 0.000 2.929 285 T HA -0.204 4.149 4.350 0.005 0.000 0.271 285 T C 1.651 176.408 174.700 0.094 0.000 1.085 285 T CA 1.208 63.364 62.100 0.093 0.000 1.125 285 T CB -0.065 68.856 68.868 0.089 0.000 0.874 285 T HN 0.175 nan 8.240 nan 0.000 0.494 286 E N 0.942 121.200 120.200 0.095 0.000 2.107 286 E HA 0.018 4.371 4.350 0.005 0.000 0.191 286 E C 1.873 178.520 176.600 0.079 0.000 0.982 286 E CA 0.478 56.929 56.400 0.084 0.000 0.809 286 E CB -0.656 29.091 29.700 0.079 0.000 0.756 286 E HN 0.445 nan 8.360 nan 0.000 0.459 287 L N 0.160 121.426 121.223 0.072 0.000 2.093 287 L HA 0.031 4.374 4.340 0.005 0.000 0.208 287 L C 2.117 179.041 176.870 0.090 0.000 1.085 287 L CA 1.409 56.285 54.840 0.060 0.000 0.755 287 L CB -0.360 41.718 42.059 0.032 0.000 0.904 287 L HN 0.230 nan 8.230 nan 0.000 0.435 288 I N -0.573 120.055 120.570 0.096 0.000 2.252 288 I HA -0.264 3.909 4.170 0.005 0.000 0.245 288 I C 1.922 178.137 176.117 0.164 0.000 1.102 288 I CA 1.213 62.592 61.300 0.132 0.000 1.385 288 I CB -0.445 37.618 38.000 0.105 0.000 1.064 288 I HN 0.245 nan 8.210 nan 0.000 0.414 289 D N 0.425 120.900 120.400 0.124 0.000 2.144 289 D HA -0.189 4.454 4.640 0.005 0.000 0.199 289 D C 2.166 178.538 176.300 0.119 0.000 0.984 289 D CA 0.936 55.002 54.000 0.110 0.000 0.834 289 D CB -0.323 40.530 40.800 0.089 0.000 0.955 289 D HN 0.235 nan 8.370 nan 0.000 0.465 290 R N -0.493 120.082 120.500 0.126 0.000 2.083 290 R HA -0.209 4.134 4.340 0.005 0.000 0.237 290 R C 2.287 178.705 176.300 0.197 0.000 1.137 290 R CA 1.092 57.273 56.100 0.134 0.000 0.951 290 R CB -0.381 29.980 30.300 0.101 0.000 0.851 290 R HN 0.199 nan 8.270 nan 0.000 0.434 291 Y N 1.368 121.714 120.300 0.076 0.000 2.242 291 Y HA -0.153 4.399 4.550 0.004 0.000 0.291 291 Y C 2.119 178.136 175.900 0.194 0.000 1.137 291 Y CA 1.413 59.578 58.100 0.108 0.000 1.181 291 Y CB -0.039 38.441 38.460 0.033 0.000 0.989 291 Y HN -0.101 nan 8.280 nan 0.000 0.527 292 K N 0.533 120.956 120.400 0.038 0.000 2.057 292 K HA -0.151 4.172 4.320 0.005 0.000 0.207 292 K C 2.218 178.800 176.600 -0.030 0.000 1.049 292 K CA 1.420 57.684 56.287 -0.039 0.000 0.931 292 K CB -0.165 32.365 32.500 0.050 0.000 0.714 292 K HN 0.386 nan 8.250 nan 0.000 0.440 293 R N -1.011 119.515 120.500 0.044 0.000 2.062 293 R HA -0.168 4.175 4.340 0.005 0.000 0.231 293 R C 2.185 178.516 176.300 0.051 0.000 1.136 293 R CA 1.719 57.845 56.100 0.044 0.000 0.948 293 R CB -0.567 29.776 30.300 0.073 0.000 0.845 293 R HN 0.294 nan 8.270 nan 0.000 0.430 294 W N 2.461 123.706 121.300 -0.091 0.000 2.301 294 W HA -0.307 4.356 4.660 0.005 0.000 0.325 294 W C 2.208 178.635 176.519 -0.153 0.000 1.250 294 W CA 1.916 59.208 57.345 -0.089 0.000 1.261 294 W CB -0.260 29.178 29.460 -0.036 0.000 1.157 294 W HN -0.101 nan 8.180 nan 0.000 0.473 295 K N 0.809 121.198 120.400 -0.019 0.000 2.286 295 K HA -0.142 4.181 4.320 0.005 0.000 0.203 295 K C 1.508 177.956 176.600 -0.254 0.000 1.045 295 K CA 1.558 57.706 56.287 -0.232 0.000 0.935 295 K CB -0.770 31.518 32.500 -0.353 0.000 0.737 295 K HN 0.125 nan 8.250 nan 0.000 0.460 296 A N 0.515 123.221 122.820 -0.189 0.000 2.416 296 A HA 0.113 4.436 4.320 0.005 0.000 0.252 296 A C -0.399 177.077 177.584 -0.180 0.000 1.353 296 A CA 0.181 52.130 52.037 -0.146 0.000 0.996 296 A CB -0.327 18.623 19.000 -0.084 0.000 0.961 296 A HN 0.399 nan 8.150 nan 0.000 0.523 297 E N -0.308 119.719 120.200 -0.287 0.000 3.923 297 E HA 0.083 4.435 4.350 0.005 0.000 0.169 297 E C -0.896 175.481 176.600 -0.372 0.000 1.035 297 E CA -0.178 56.050 56.400 -0.287 0.000 1.513 297 E CB 0.332 29.863 29.700 -0.281 0.000 1.154 297 E HN 0.516 nan 8.360 nan 0.000 0.396 298 Q N 0.000 119.603 119.800 -0.328 0.000 2.315 298 Q HA 0.000 4.343 4.340 0.005 0.000 0.214 298 Q CA 0.000 55.620 55.803 -0.305 0.000 1.022 298 Q CB 0.000 28.488 28.738 -0.416 0.000 1.108 298 Q HN 0.000 nan 8.270 nan 0.000 0.481