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 1xp4_1_A DATA FIRST_RESID 25 DATA SEQUENCE FTIAAKHAIA VEANTGKILY EKDATQPVEI ASITKLITVY LVYEALENGS DATA SEQUENCE ITLSTPVDIS DYPYQLTTNS EASNIPXEAR NYTVEELLEA TLVSSANSAA DATA SEQUENCE IALAEKIAGS EKDFVDXXRA KLLEWGIQDA TVVNTTGLNN ETLGDNIYPG DATA SEQUENCE SKKDEENKLS AYDVAIVARN LIKKYPQVLE ITKKPSSTFA GXTITSTNYX DATA SEQUENCE LEGXPAYRGG FDGLKTGTTD KAGESFVGTT VEKGXRVITV VLNADHQDNN DATA SEQUENCE PYARFTATSS LXDYISSTFT LRKIVQQGDA YQDSKAPVQD GKEDTVIAVA DATA SEQUENCE PEDIYLIERV GNQSSQSVQF TPDSKAIPAP LEAGTVVGHL TYEDKDLIGQ DATA SEQUENCE GYITTERPSF EXVADKKIE 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 25 F HA 0.000 nan 4.527 nan 0.000 0.279 25 F C 0.000 175.698 175.800 -0.170 0.000 0.967 25 F CA 0.000 57.880 58.000 -0.201 0.000 1.383 25 F CB 0.000 38.710 39.000 -0.484 0.000 1.145 26 T N 6.694 120.523 114.554 -1.208 0.000 2.912 26 T HA 0.567 4.924 4.350 0.012 0.000 0.299 26 T C -1.104 172.853 174.700 -1.239 0.000 1.052 26 T CA -0.525 61.001 62.100 -0.958 0.000 0.996 26 T CB 2.035 70.667 68.868 -0.393 0.000 1.070 26 T HN 0.737 nan 8.240 nan 0.000 0.465 27 I N 2.029 122.125 120.570 -0.791 0.000 2.440 27 I HA 0.600 4.777 4.170 0.012 0.000 0.294 27 I C 0.580 176.592 176.117 -0.176 0.000 0.995 27 I CA -0.743 60.316 61.300 -0.402 0.000 1.306 27 I CB 0.951 38.879 38.000 -0.119 0.000 1.407 27 I HN 0.795 nan 8.210 nan 0.000 0.501 28 A N 7.100 129.866 122.820 -0.091 0.000 3.074 28 A HA 0.675 5.002 4.320 0.012 0.000 0.251 28 A C 0.030 177.598 177.584 -0.028 0.000 1.695 28 A CA 0.271 52.274 52.037 -0.057 0.000 1.343 28 A CB -0.999 17.981 19.000 -0.033 0.000 1.078 28 A HN 0.806 nan 8.150 nan 0.000 0.644 29 A N -0.078 122.723 122.820 -0.031 0.000 2.594 29 A HA 0.626 4.953 4.320 0.012 0.000 0.295 29 A C 0.633 178.178 177.584 -0.066 0.000 1.071 29 A CA -0.608 51.422 52.037 -0.012 0.000 0.685 29 A CB 0.894 19.918 19.000 0.040 0.000 1.285 29 A HN 0.294 nan 8.150 nan 0.000 0.405 30 K N 0.305 120.638 120.400 -0.111 0.000 2.155 30 K HA 0.017 4.344 4.320 0.012 0.000 0.203 30 K C -0.230 175.990 176.600 -0.633 0.000 1.052 30 K CA 1.067 57.145 56.287 -0.348 0.000 0.948 30 K CB -0.081 32.209 32.500 -0.351 0.000 0.728 30 K HN 0.720 nan 8.250 nan 0.000 0.448 31 H N -1.354 117.742 119.070 0.043 0.000 2.894 31 H HA 0.588 5.151 4.556 0.011 0.000 0.367 31 H C -1.064 174.315 175.328 0.084 0.000 1.144 31 H CA -0.747 55.333 56.048 0.052 0.000 1.180 31 H CB 2.265 32.052 29.762 0.042 0.000 1.758 31 H HN 0.089 nan 8.280 nan 0.000 0.541 32 A N 2.281 125.232 122.820 0.218 0.000 2.597 32 A HA 0.647 4.974 4.320 0.012 0.000 0.292 32 A C -1.697 176.015 177.584 0.213 0.000 1.057 32 A CA -0.547 51.623 52.037 0.222 0.000 0.674 32 A CB 1.895 21.058 19.000 0.272 0.000 1.278 32 A HN 0.618 nan 8.150 nan 0.000 0.416 33 I N -0.151 120.545 120.570 0.210 0.000 2.842 33 I HA 0.703 4.880 4.170 0.012 0.000 0.297 33 I C -0.865 175.358 176.117 0.177 0.000 1.380 33 I CA -0.522 60.886 61.300 0.180 0.000 1.018 33 I CB 2.033 40.100 38.000 0.113 0.000 1.311 33 I HN 1.373 nan 8.210 nan 0.000 0.439 34 A N 6.573 129.506 122.820 0.188 0.000 2.393 34 A HA 0.846 5.173 4.320 0.012 0.000 0.306 34 A C -1.371 176.231 177.584 0.031 0.000 1.050 34 A CA -0.449 51.667 52.037 0.131 0.000 0.724 34 A CB 1.690 20.820 19.000 0.218 0.000 1.248 34 A HN 0.970 nan 8.150 nan 0.000 0.424 35 V N -0.725 119.167 119.914 -0.036 0.000 3.007 35 V HA 0.693 4.820 4.120 0.012 0.000 0.311 35 V C -0.317 175.709 176.094 -0.114 0.000 1.120 35 V CA -0.877 61.360 62.300 -0.105 0.000 0.980 35 V CB 1.896 33.641 31.823 -0.131 0.000 1.033 35 V HN 0.885 nan 8.190 nan 0.000 0.429 36 E N 2.084 122.198 120.200 -0.144 0.000 2.180 36 E HA 0.411 4.768 4.350 0.012 0.000 0.283 36 E C 1.201 177.747 176.600 -0.089 0.000 1.061 36 E CA 0.567 56.898 56.400 -0.114 0.000 0.861 36 E CB 1.586 31.217 29.700 -0.115 0.000 1.056 36 E HN 1.028 nan 8.360 nan 0.000 0.407 37 A N 5.679 128.448 122.820 -0.086 0.000 1.882 37 A HA -0.350 3.977 4.320 0.012 0.000 0.220 37 A C 1.967 179.514 177.584 -0.062 0.000 1.253 37 A CA 2.351 54.339 52.037 -0.083 0.000 0.664 37 A CB -0.745 18.206 19.000 -0.083 0.000 0.838 37 A HN 0.753 nan 8.150 nan 0.000 0.460 38 N N -0.766 117.914 118.700 -0.034 0.000 2.036 38 N HA -0.149 4.598 4.740 0.012 0.000 0.195 38 N C 1.803 177.320 175.510 0.011 0.000 1.037 38 N CA 2.888 55.934 53.050 -0.006 0.000 0.855 38 N CB -0.449 38.057 38.487 0.033 0.000 1.033 38 N HN 0.633 nan 8.380 nan 0.000 0.423 39 T N -4.490 110.092 114.554 0.048 0.000 3.065 39 T HA 0.281 4.638 4.350 0.012 0.000 0.252 39 T C 1.348 176.131 174.700 0.138 0.000 1.099 39 T CA 0.599 62.767 62.100 0.112 0.000 1.063 39 T CB -0.123 68.889 68.868 0.241 0.000 0.948 39 T HN 0.326 nan 8.240 nan 0.000 0.506 40 G N 1.855 110.664 108.800 0.014 0.000 2.153 40 G HA2 -0.314 3.653 3.960 0.012 0.000 0.252 40 G HA3 -0.314 3.653 3.960 0.012 0.000 0.252 40 G C -0.042 174.780 174.900 -0.129 0.000 0.994 40 G CA 0.423 45.499 45.100 -0.040 0.000 0.698 40 G HN 0.882 nan 8.290 nan 0.000 0.521 41 K N 0.382 120.609 120.400 -0.288 0.000 2.401 41 K HA 0.436 4.763 4.320 0.012 0.000 0.278 41 K C 0.676 176.987 176.600 -0.482 0.000 1.018 41 K CA -0.614 55.176 56.287 -0.828 0.000 0.981 41 K CB 0.141 32.190 32.500 -0.752 0.000 0.933 41 K HN 0.259 nan 8.250 nan 0.000 0.477 42 I N 6.583 126.884 120.570 -0.449 0.000 2.416 42 I HA -0.023 4.154 4.170 0.012 0.000 0.288 42 I C 0.956 176.949 176.117 -0.207 0.000 1.051 42 I CA -0.142 61.027 61.300 -0.218 0.000 1.375 42 I CB 0.793 38.735 38.000 -0.097 0.000 1.407 42 I HN 0.666 nan 8.210 nan 0.000 0.516 43 L N 6.568 127.713 121.223 -0.130 0.000 2.470 43 L HA 0.216 4.563 4.340 0.012 0.000 0.219 43 L C -0.195 176.883 176.870 0.347 0.000 1.071 43 L CA 0.121 54.896 54.840 -0.109 0.000 0.850 43 L CB 0.154 42.083 42.059 -0.217 0.000 1.040 43 L HN 0.527 nan 8.230 nan 0.000 0.475 44 Y N 0.852 121.264 120.300 0.186 0.000 2.558 44 Y HA 0.485 5.041 4.550 0.011 0.000 0.333 44 Y C -1.437 174.562 175.900 0.166 0.000 1.125 44 Y CA -1.098 57.163 58.100 0.267 0.000 1.039 44 Y CB 1.459 40.146 38.460 0.378 0.000 1.331 44 Y HN -0.036 nan 8.280 nan 0.000 0.456 45 E N 5.223 124.899 120.200 -0.874 0.000 2.390 45 E HA 0.388 4.745 4.350 0.012 0.000 0.280 45 E C -2.155 174.080 176.600 -0.609 0.000 0.992 45 E CA -0.874 55.240 56.400 -0.478 0.000 0.790 45 E CB 2.418 32.018 29.700 -0.167 0.000 1.248 45 E HN 0.688 nan 8.360 nan 0.000 0.447 46 K N 2.913 123.185 120.400 -0.213 0.000 2.690 46 K HA 0.203 4.530 4.320 0.012 0.000 0.264 46 K C -1.196 175.413 176.600 0.014 0.000 1.040 46 K CA -0.300 55.923 56.287 -0.108 0.000 0.946 46 K CB 0.499 32.987 32.500 -0.020 0.000 1.268 46 K HN 0.516 nan 8.250 nan 0.000 0.473 47 D N 3.233 123.646 120.400 0.023 0.000 2.735 47 D HA -0.197 4.450 4.640 0.012 0.000 0.235 47 D C 0.115 176.541 176.300 0.209 0.000 1.175 47 D CA 1.158 55.237 54.000 0.131 0.000 0.683 47 D CB -0.665 40.242 40.800 0.179 0.000 1.008 47 D HN 0.640 nan 8.370 nan 0.000 0.416 48 A N 0.140 123.016 122.820 0.094 0.000 2.275 48 A HA 0.179 4.506 4.320 0.012 0.000 0.212 48 A C 1.925 179.547 177.584 0.064 0.000 1.201 48 A CA 1.206 53.304 52.037 0.102 0.000 0.843 48 A CB 0.139 19.205 19.000 0.110 0.000 0.873 48 A HN 0.458 nan 8.150 nan 0.000 0.492 49 T N -3.325 111.229 114.554 -0.001 0.000 2.990 49 T HA 0.151 4.508 4.350 0.012 0.000 0.250 49 T C 0.817 175.483 174.700 -0.056 0.000 1.041 49 T CA -0.070 61.993 62.100 -0.060 0.000 1.010 49 T CB -0.239 68.551 68.868 -0.131 0.000 1.003 49 T HN 0.376 nan 8.240 nan 0.000 0.499 50 Q N 2.912 122.676 119.800 -0.059 0.000 2.296 50 Q HA 0.234 4.581 4.340 0.012 0.000 0.263 50 Q C -2.670 173.242 176.000 -0.146 0.000 1.026 50 Q CA -2.160 53.589 55.803 -0.089 0.000 0.912 50 Q CB 0.615 29.312 28.738 -0.068 0.000 1.198 50 Q HN 0.159 nan 8.270 nan 0.000 0.407 51 P HA -0.046 nan 4.420 nan 0.000 0.265 51 P C -1.165 176.065 177.300 -0.117 0.000 1.193 51 P CA 0.095 63.146 63.100 -0.082 0.000 0.765 51 P CB 0.760 32.434 31.700 -0.043 0.000 0.823 52 V N -0.473 119.370 119.914 -0.119 0.000 3.206 52 V HA 0.530 4.657 4.120 0.012 0.000 0.305 52 V C -0.583 175.484 176.094 -0.045 0.000 1.257 52 V CA -1.403 60.832 62.300 -0.107 0.000 1.057 52 V CB 1.747 33.444 31.823 -0.211 0.000 1.075 52 V HN 0.154 nan 8.190 nan 0.000 0.443 53 E N 1.534 121.726 120.200 -0.014 0.000 2.452 53 E HA 0.321 4.678 4.350 0.012 0.000 0.261 53 E C 0.577 177.189 176.600 0.020 0.000 0.987 53 E CA 0.955 57.360 56.400 0.009 0.000 0.926 53 E CB 0.521 30.233 29.700 0.020 0.000 0.934 53 E HN 0.806 nan 8.360 nan 0.000 0.452 54 I N -0.306 120.281 120.570 0.029 0.000 4.338 54 I HA 0.511 4.688 4.170 0.012 0.000 0.329 54 I C 0.863 177.010 176.117 0.050 0.000 1.378 54 I CA -0.253 61.071 61.300 0.040 0.000 1.170 54 I CB 0.064 38.086 38.000 0.038 0.000 1.206 54 I HN 0.496 nan 8.210 nan 0.000 0.432 55 A N 1.935 124.783 122.820 0.047 0.000 5.668 55 A HA -0.359 3.968 4.320 0.012 0.000 0.317 55 A C 1.640 179.258 177.584 0.057 0.000 1.826 55 A CA 1.741 53.808 52.037 0.050 0.000 0.735 55 A CB -2.044 16.987 19.000 0.051 0.000 1.336 55 A HN 0.478 nan 8.150 nan 0.000 0.396 56 S N -0.310 115.426 115.700 0.059 0.000 2.520 56 S HA -0.097 4.380 4.470 0.012 0.000 0.249 56 S C 1.524 176.169 174.600 0.074 0.000 0.983 56 S CA 1.423 59.660 58.200 0.062 0.000 0.958 56 S CB -0.709 62.526 63.200 0.059 0.000 0.750 56 S HN 0.484 nan 8.310 nan 0.000 0.527 57 I N 1.204 121.819 120.570 0.075 0.000 2.700 57 I HA -0.155 4.022 4.170 0.012 0.000 0.261 57 I C 2.206 178.370 176.117 0.079 0.000 1.219 57 I CA 0.830 62.173 61.300 0.073 0.000 1.463 57 I CB -0.658 37.377 38.000 0.058 0.000 1.092 57 I HN 0.253 nan 8.210 nan 0.000 0.452 58 T N 0.849 115.451 114.554 0.080 0.000 2.737 58 T HA -0.215 4.142 4.350 0.012 0.000 0.269 58 T C 1.728 176.501 174.700 0.121 0.000 1.040 58 T CA 1.251 63.408 62.100 0.096 0.000 1.142 58 T CB -0.197 68.724 68.868 0.088 0.000 0.861 58 T HN 0.382 nan 8.240 nan 0.000 0.456 59 K N 0.761 121.225 120.400 0.107 0.000 2.520 59 K HA 0.011 4.338 4.320 0.012 0.000 0.197 59 K C 1.910 178.602 176.600 0.152 0.000 1.043 59 K CA 0.601 56.957 56.287 0.116 0.000 0.944 59 K CB -0.304 32.243 32.500 0.078 0.000 0.770 59 K HN 0.386 nan 8.250 nan 0.000 0.480 60 L N 0.292 121.608 121.223 0.155 0.000 2.095 60 L HA -0.116 4.231 4.340 0.012 0.000 0.204 60 L C 2.200 179.230 176.870 0.266 0.000 1.080 60 L CA 0.990 55.941 54.840 0.185 0.000 0.759 60 L CB -0.375 41.763 42.059 0.130 0.000 0.914 60 L HN 0.141 nan 8.230 nan 0.000 0.439 61 I N -0.482 120.240 120.570 0.253 0.000 2.226 61 I HA -0.261 3.916 4.170 0.012 0.000 0.245 61 I C 2.528 178.856 176.117 0.352 0.000 1.100 61 I CA 1.392 62.882 61.300 0.316 0.000 1.374 61 I CB -0.757 37.382 38.000 0.232 0.000 1.057 61 I HN 0.231 nan 8.210 nan 0.000 0.413 62 T N 0.769 115.524 114.554 0.334 0.000 2.652 62 T HA -0.165 4.192 4.350 0.012 0.000 0.267 62 T C 2.025 176.953 174.700 0.379 0.000 1.039 62 T CA 1.550 63.914 62.100 0.439 0.000 1.153 62 T CB -0.421 68.607 68.868 0.267 0.000 0.863 62 T HN 0.111 nan 8.240 nan 0.000 0.428 63 V N 0.321 120.399 119.914 0.273 0.000 2.594 63 V HA -0.159 3.968 4.120 0.012 0.000 0.253 63 V C 1.939 178.219 176.094 0.309 0.000 1.069 63 V CA 1.437 63.871 62.300 0.223 0.000 1.082 63 V CB -0.687 31.275 31.823 0.232 0.000 0.680 63 V HN 0.536 nan 8.190 nan 0.000 0.469 64 Y N 0.091 120.560 120.300 0.280 0.000 2.242 64 Y HA -0.136 4.421 4.550 0.011 0.000 0.291 64 Y C 2.141 178.163 175.900 0.205 0.000 1.137 64 Y CA 1.520 59.805 58.100 0.308 0.000 1.181 64 Y CB 0.003 38.738 38.460 0.458 0.000 0.989 64 Y HN 0.170 nan 8.280 nan 0.000 0.527 65 L N -1.333 120.088 121.223 0.330 0.000 2.217 65 L HA -0.161 4.186 4.340 0.012 0.000 0.211 65 L C 2.147 179.081 176.870 0.107 0.000 1.107 65 L CA 0.573 55.523 54.840 0.184 0.000 0.783 65 L CB -0.557 41.558 42.059 0.094 0.000 0.919 65 L HN 0.109 nan 8.230 nan 0.000 0.442 66 V N -1.252 118.715 119.914 0.087 0.000 2.358 66 V HA -0.280 3.847 4.120 0.012 0.000 0.246 66 V C 2.177 178.119 176.094 -0.255 0.000 1.047 66 V CA 1.657 63.913 62.300 -0.075 0.000 1.035 66 V CB -0.652 31.072 31.823 -0.165 0.000 0.658 66 V HN 0.283 nan 8.190 nan 0.000 0.452 67 Y N 0.541 120.623 120.300 -0.364 0.000 2.293 67 Y HA -0.156 4.401 4.550 0.011 0.000 0.291 67 Y C 2.602 178.135 175.900 -0.611 0.000 1.137 67 Y CA 1.674 59.368 58.100 -0.677 0.000 1.202 67 Y CB -0.203 37.395 38.460 -1.436 0.000 0.990 67 Y HN 0.312 nan 8.280 nan 0.000 0.537 68 E N -0.241 119.756 120.200 -0.337 0.000 2.204 68 E HA -0.157 4.200 4.350 0.012 0.000 0.194 68 E C 2.145 178.741 176.600 -0.006 0.000 0.989 68 E CA 0.822 57.177 56.400 -0.075 0.000 0.824 68 E CB -0.065 29.624 29.700 -0.018 0.000 0.756 68 E HN 0.424 nan 8.360 nan 0.000 0.477 69 A N 0.313 123.115 122.820 -0.030 0.000 1.975 69 A HA 0.026 4.353 4.320 0.012 0.000 0.215 69 A C 2.020 179.598 177.584 -0.010 0.000 1.170 69 A CA 0.266 52.303 52.037 0.000 0.000 0.656 69 A CB -0.226 18.783 19.000 0.015 0.000 0.821 69 A HN 0.238 nan 8.150 nan 0.000 0.449 70 L N -0.662 120.535 121.223 -0.044 0.000 2.027 70 L HA -0.173 4.174 4.340 0.012 0.000 0.206 70 L C 2.628 179.518 176.870 0.033 0.000 1.074 70 L CA 1.828 56.656 54.840 -0.021 0.000 0.745 70 L CB -0.397 41.632 42.059 -0.050 0.000 0.898 70 L HN 0.607 nan 8.230 nan 0.000 0.433 71 E N 0.385 120.624 120.200 0.065 0.000 2.051 71 E HA -0.246 4.111 4.350 0.012 0.000 0.192 71 E C 1.829 178.475 176.600 0.077 0.000 0.991 71 E CA 1.470 57.938 56.400 0.114 0.000 0.799 71 E CB 0.093 29.918 29.700 0.208 0.000 0.748 71 E HN 0.404 nan 8.360 nan 0.000 0.449 72 N N -0.471 118.266 118.700 0.061 0.000 2.381 72 N HA -0.069 4.678 4.740 0.012 0.000 0.182 72 N C 1.250 176.781 175.510 0.036 0.000 1.025 72 N CA 1.376 54.455 53.050 0.048 0.000 0.888 72 N CB 0.209 38.721 38.487 0.042 0.000 0.965 72 N HN 0.442 nan 8.380 nan 0.000 0.438 73 G N -0.868 107.951 108.800 0.031 0.000 2.194 73 G HA2 -0.316 3.651 3.960 0.012 0.000 0.236 73 G HA3 -0.316 3.651 3.960 0.012 0.000 0.236 73 G C 1.125 176.035 174.900 0.017 0.000 0.987 73 G CA 0.835 45.950 45.100 0.024 0.000 0.635 73 G HN 0.474 nan 8.290 nan 0.000 0.520 74 S N -0.146 115.565 115.700 0.018 0.000 2.442 74 S HA 0.309 4.786 4.470 0.012 0.000 0.236 74 S C 1.191 175.797 174.600 0.010 0.000 1.007 74 S CA 1.222 59.431 58.200 0.016 0.000 0.965 74 S CB -0.343 62.870 63.200 0.022 0.000 0.773 74 S HN 1.698 nan 8.310 nan 0.000 0.504 75 I N -1.714 118.858 120.570 0.004 0.000 3.074 75 I HA 0.780 4.957 4.170 0.012 0.000 0.310 75 I C -0.760 175.351 176.117 -0.010 0.000 1.153 75 I CA -1.059 60.237 61.300 -0.006 0.000 0.993 75 I CB 2.243 40.234 38.000 -0.015 0.000 1.237 75 I HN 0.073 nan 8.210 nan 0.000 0.443 76 T N -0.277 114.269 114.554 -0.014 0.000 2.883 76 T HA 0.499 4.856 4.350 0.012 0.000 0.296 76 T C 0.706 175.394 174.700 -0.020 0.000 1.117 76 T CA -0.906 61.187 62.100 -0.011 0.000 1.006 76 T CB 1.752 70.619 68.868 -0.003 0.000 1.191 76 T HN 0.685 nan 8.240 nan 0.000 0.508 77 L N 1.135 122.348 121.223 -0.016 0.000 2.127 77 L HA -0.063 4.284 4.340 0.012 0.000 0.211 77 L C 2.689 179.552 176.870 -0.011 0.000 1.089 77 L CA 1.782 56.612 54.840 -0.018 0.000 0.757 77 L CB -0.477 41.581 42.059 -0.001 0.000 0.899 77 L HN 0.937 nan 8.230 nan 0.000 0.434 78 S N -2.794 112.901 115.700 -0.008 0.000 2.556 78 S HA 0.043 4.520 4.470 0.012 0.000 0.216 78 S C 0.813 175.404 174.600 -0.015 0.000 0.970 78 S CA -0.461 57.733 58.200 -0.010 0.000 0.912 78 S CB -0.427 62.767 63.200 -0.010 0.000 0.790 78 S HN 0.186 nan 8.310 nan 0.000 0.504 79 T N 5.368 119.914 114.554 -0.014 0.000 2.829 79 T HA 0.232 4.589 4.350 0.012 0.000 0.293 79 T C -2.635 172.056 174.700 -0.015 0.000 0.970 79 T CA -0.478 61.613 62.100 -0.015 0.000 1.168 79 T CB 0.497 69.357 68.868 -0.013 0.000 0.911 79 T HN 0.235 nan 8.240 nan 0.000 0.535 80 P HA 0.259 nan 4.420 nan 0.000 0.271 80 P C -0.995 176.294 177.300 -0.017 0.000 1.220 80 P CA -0.284 62.797 63.100 -0.033 0.000 0.768 80 P CB 0.590 32.260 31.700 -0.051 0.000 0.848 81 V N 3.444 123.358 119.914 -0.000 0.000 2.444 81 V HA 0.215 4.342 4.120 0.012 0.000 0.294 81 V C 0.107 176.215 176.094 0.023 0.000 1.022 81 V CA -0.630 61.679 62.300 0.016 0.000 0.850 81 V CB 1.613 33.457 31.823 0.036 0.000 0.992 81 V HN 0.484 nan 8.190 nan 0.000 0.426 82 D N 3.914 124.317 120.400 0.005 0.000 2.382 82 D HA 0.304 4.951 4.640 0.012 0.000 0.240 82 D C -0.379 175.940 176.300 0.031 0.000 1.146 82 D CA 0.160 54.161 54.000 0.000 0.000 0.897 82 D CB 0.843 41.636 40.800 -0.011 0.000 1.197 82 D HN 0.480 nan 8.370 nan 0.000 0.432 83 I N 3.091 123.681 120.570 0.033 0.000 2.502 83 I HA 0.132 4.309 4.170 0.012 0.000 0.276 83 I C 0.341 176.487 176.117 0.048 0.000 1.057 83 I CA -0.648 60.690 61.300 0.064 0.000 1.163 83 I CB 0.911 38.994 38.000 0.139 0.000 1.288 83 I HN 0.414 nan 8.210 nan 0.000 0.479 84 S N 2.734 118.468 115.700 0.058 0.000 2.587 84 S HA 0.051 4.528 4.470 0.012 0.000 0.260 84 S C 0.954 175.644 174.600 0.150 0.000 1.353 84 S CA -0.427 57.822 58.200 0.082 0.000 0.995 84 S CB 0.900 64.157 63.200 0.095 0.000 0.912 84 S HN 0.521 nan 8.310 nan 0.000 0.568 85 D N 0.533 121.032 120.400 0.164 0.000 2.127 85 D HA -0.194 4.453 4.640 0.012 0.000 0.190 85 D C 1.582 178.027 176.300 0.241 0.000 1.000 85 D CA 2.148 56.281 54.000 0.222 0.000 0.839 85 D CB -0.790 40.109 40.800 0.165 0.000 0.955 85 D HN 0.762 nan 8.370 nan 0.000 0.446 86 Y N 2.073 122.421 120.300 0.080 0.000 2.053 86 Y HA -0.166 4.389 4.550 0.009 0.000 0.277 86 Y C -0.953 174.978 175.900 0.053 0.000 1.159 86 Y CA 1.736 59.867 58.100 0.052 0.000 1.125 86 Y CB -1.579 36.902 38.460 0.035 0.000 0.969 86 Y HN 0.045 nan 8.280 nan 0.000 0.492 87 P HA -0.137 nan 4.420 nan 0.000 0.220 87 P C 1.336 178.591 177.300 -0.075 0.000 1.152 87 P CA 1.709 64.598 63.100 -0.353 0.000 0.812 87 P CB -0.425 31.122 31.700 -0.254 0.000 0.792 88 Y N 1.007 121.269 120.300 -0.063 0.000 2.163 88 Y HA -0.176 4.382 4.550 0.014 0.000 0.288 88 Y C 2.204 178.103 175.900 -0.002 0.000 1.136 88 Y CA 1.661 59.754 58.100 -0.011 0.000 1.147 88 Y CB -0.913 37.562 38.460 0.025 0.000 0.987 88 Y HN -0.083 nan 8.280 nan 0.000 0.509 89 Q N -0.478 119.220 119.800 -0.170 0.000 2.119 89 Q HA -0.146 4.201 4.340 0.012 0.000 0.201 89 Q C 2.089 177.989 176.000 -0.166 0.000 0.972 89 Q CA 1.374 57.037 55.803 -0.234 0.000 0.847 89 Q CB -0.372 28.343 28.738 -0.039 0.000 0.903 89 Q HN 0.460 nan 8.270 nan 0.000 0.433 90 L N 0.731 121.896 121.223 -0.097 0.000 2.450 90 L HA -0.160 4.187 4.340 0.012 0.000 0.225 90 L C 1.958 178.765 176.870 -0.105 0.000 1.145 90 L CA 2.054 56.849 54.840 -0.076 0.000 0.801 90 L CB -0.493 41.503 42.059 -0.104 0.000 0.924 90 L HN 0.347 nan 8.230 nan 0.000 0.447 91 T N -6.714 107.746 114.554 -0.156 0.000 3.014 91 T HA -0.002 4.355 4.350 0.012 0.000 0.250 91 T C 1.647 176.264 174.700 -0.138 0.000 1.060 91 T CA 0.603 62.621 62.100 -0.137 0.000 1.040 91 T CB -0.505 68.288 68.868 -0.124 0.000 0.971 91 T HN 0.447 nan 8.240 nan 0.000 0.497 92 T N -0.373 114.071 114.554 -0.184 0.000 2.937 92 T HA 0.107 4.464 4.350 0.012 0.000 0.260 92 T C 0.992 175.642 174.700 -0.083 0.000 1.051 92 T CA 0.590 62.605 62.100 -0.141 0.000 1.141 92 T CB -0.269 68.492 68.868 -0.179 0.000 0.879 92 T HN 0.502 nan 8.240 nan 0.000 0.459 93 N N 0.406 119.061 118.700 -0.075 0.000 2.751 93 N HA 0.238 4.985 4.740 0.012 0.000 0.234 93 N C -1.932 173.559 175.510 -0.031 0.000 1.403 93 N CA -0.150 52.874 53.050 -0.043 0.000 0.747 93 N CB 1.128 39.596 38.487 -0.032 0.000 1.326 93 N HN 0.109 nan 8.380 nan 0.000 0.532 94 S N 1.404 117.085 115.700 -0.031 0.000 2.706 94 S HA 0.137 4.614 4.470 0.012 0.000 0.270 94 S C -0.821 173.767 174.600 -0.019 0.000 1.163 94 S CA -0.603 57.586 58.200 -0.018 0.000 1.042 94 S CB 1.448 64.637 63.200 -0.017 0.000 1.079 94 S HN 0.271 nan 8.310 nan 0.000 0.474 95 E N 2.344 122.538 120.200 -0.010 0.000 2.053 95 E HA 0.326 4.683 4.350 0.012 0.000 0.297 95 E C -0.117 176.480 176.600 -0.006 0.000 1.173 95 E CA -0.040 56.356 56.400 -0.008 0.000 1.219 95 E CB -0.130 29.569 29.700 -0.002 0.000 1.103 95 E HN 0.584 nan 8.360 nan 0.000 0.476 96 A N 1.348 124.159 122.820 -0.014 0.000 2.335 96 A HA 0.396 4.723 4.320 0.012 0.000 0.304 96 A C 0.179 177.746 177.584 -0.029 0.000 1.118 96 A CA -0.866 51.162 52.037 -0.016 0.000 0.757 96 A CB 0.834 19.823 19.000 -0.019 0.000 1.188 96 A HN 0.303 nan 8.150 nan 0.000 0.460 97 S N 3.567 119.253 115.700 -0.023 0.000 2.670 97 S HA 0.180 4.657 4.470 0.012 0.000 0.308 97 S C 0.120 174.680 174.600 -0.066 0.000 1.232 97 S CA -0.033 58.147 58.200 -0.034 0.000 1.126 97 S CB -0.306 62.881 63.200 -0.021 0.000 0.897 97 S HN 0.708 nan 8.310 nan 0.000 0.508 98 N N 1.184 119.836 118.700 -0.081 0.000 3.204 98 N HA 0.655 5.402 4.740 0.012 0.000 0.285 98 N C -1.013 174.417 175.510 -0.132 0.000 1.536 98 N CA -0.665 52.313 53.050 -0.121 0.000 0.832 98 N CB 1.863 40.285 38.487 -0.109 0.000 1.645 98 N HN 0.788 nan 8.380 nan 0.000 0.586 99 I N -1.987 118.478 120.570 -0.175 0.000 2.894 99 I HA 0.637 4.814 4.170 0.012 0.000 0.302 99 I C -2.460 173.597 176.117 -0.101 0.000 1.188 99 I CA -1.764 59.440 61.300 -0.160 0.000 1.014 99 I CB 1.506 39.333 38.000 -0.288 0.000 1.242 99 I HN 0.268 nan 8.210 nan 0.000 0.430 103 A N 1.007 123.919 122.820 0.154 0.000 2.218 103 A HA 0.130 4.457 4.320 0.012 0.000 0.209 103 A C 1.130 178.622 177.584 -0.154 0.000 1.168 103 A CA 0.673 52.665 52.037 -0.075 0.000 0.804 103 A CB -0.308 18.538 19.000 -0.257 0.000 0.834 103 A HN 0.173 nan 8.150 nan 0.000 0.482 104 R N -0.819 119.686 120.500 0.009 0.000 3.701 104 R HA -0.187 4.160 4.340 0.012 0.000 0.276 104 R C -0.367 175.897 176.300 -0.060 0.000 1.150 104 R CA 1.113 57.198 56.100 -0.025 0.000 0.763 104 R CB -1.687 28.470 30.300 -0.238 0.000 1.147 104 R HN 0.561 nan 8.270 nan 0.000 0.489 105 N N -0.098 118.463 118.700 -0.232 0.000 2.752 105 N HA 0.168 4.915 4.740 0.012 0.000 0.268 105 N C -1.706 173.474 175.510 -0.551 0.000 1.190 105 N CA -0.281 52.620 53.050 -0.249 0.000 0.897 105 N CB 0.856 39.204 38.487 -0.232 0.000 1.515 105 N HN 0.036 nan 8.380 nan 0.000 0.567 106 Y N -0.104 120.175 120.300 -0.035 0.000 2.634 106 Y HA 0.407 4.964 4.550 0.012 0.000 0.340 106 Y C 0.949 176.821 175.900 -0.046 0.000 1.058 106 Y CA -0.506 57.552 58.100 -0.071 0.000 1.081 106 Y CB 1.501 39.931 38.460 -0.050 0.000 1.295 106 Y HN 0.164 nan 8.280 nan 0.000 0.487 107 T N 0.814 115.425 114.554 0.095 0.000 2.918 107 T HA 0.087 4.444 4.350 0.012 0.000 0.302 107 T C 1.257 175.997 174.700 0.067 0.000 1.045 107 T CA -0.140 61.987 62.100 0.045 0.000 1.114 107 T CB 0.895 69.770 68.868 0.012 0.000 0.965 107 T HN 0.532 nan 8.240 nan 0.000 0.540 108 V N 2.680 122.608 119.914 0.023 0.000 2.287 108 V HA -0.175 3.952 4.120 0.012 0.000 0.248 108 V C 2.525 178.618 176.094 -0.003 0.000 1.053 108 V CA 2.235 64.533 62.300 -0.003 0.000 1.027 108 V CB -0.567 31.233 31.823 -0.039 0.000 0.646 108 V HN 0.964 nan 8.190 nan 0.000 0.447 109 E N -0.189 120.011 120.200 0.001 0.000 2.118 109 E HA -0.266 4.091 4.350 0.012 0.000 0.195 109 E C 2.150 178.789 176.600 0.065 0.000 0.992 109 E CA 1.649 58.056 56.400 0.011 0.000 0.804 109 E CB -0.075 29.635 29.700 0.017 0.000 0.741 109 E HN 0.726 nan 8.360 nan 0.000 0.458 110 E N 0.324 120.584 120.200 0.100 0.000 2.051 110 E HA -0.182 4.175 4.350 0.012 0.000 0.192 110 E C 2.330 179.145 176.600 0.359 0.000 0.991 110 E CA 1.113 57.637 56.400 0.208 0.000 0.799 110 E CB -0.085 29.660 29.700 0.075 0.000 0.748 110 E HN 0.356 nan 8.360 nan 0.000 0.449 111 L N 0.809 122.183 121.223 0.251 0.000 2.056 111 L HA -0.161 4.186 4.340 0.012 0.000 0.207 111 L C 2.601 179.485 176.870 0.024 0.000 1.078 111 L CA 0.644 55.565 54.840 0.136 0.000 0.749 111 L CB -0.345 41.759 42.059 0.076 0.000 0.901 111 L HN 0.178 nan 8.230 nan 0.000 0.433 112 L N -0.083 121.145 121.223 0.009 0.000 2.012 112 L HA -0.271 4.076 4.340 0.012 0.000 0.210 112 L C 2.612 179.487 176.870 0.008 0.000 1.073 112 L CA 1.514 56.335 54.840 -0.031 0.000 0.748 112 L CB -0.108 41.899 42.059 -0.087 0.000 0.891 112 L HN 0.312 nan 8.230 nan 0.000 0.431 113 E N -0.529 119.699 120.200 0.046 0.000 2.047 113 E HA -0.221 4.136 4.350 0.012 0.000 0.191 113 E C 2.105 178.708 176.600 0.005 0.000 0.987 113 E CA 1.295 57.728 56.400 0.056 0.000 0.799 113 E CB -0.070 29.692 29.700 0.103 0.000 0.752 113 E HN 0.510 nan 8.360 nan 0.000 0.449 114 A N -0.200 122.594 122.820 -0.045 0.000 1.933 114 A HA -0.186 4.141 4.320 0.012 0.000 0.218 114 A C 2.367 179.850 177.584 -0.169 0.000 1.175 114 A CA 2.020 53.913 52.037 -0.240 0.000 0.628 114 A CB -0.919 17.713 19.000 -0.612 0.000 0.814 114 A HN 0.309 nan 8.150 nan 0.000 0.444 115 T N 0.315 114.807 114.554 -0.103 0.000 2.668 115 T HA -0.055 4.302 4.350 0.012 0.000 0.262 115 T C 1.826 176.513 174.700 -0.021 0.000 1.045 115 T CA 1.543 63.604 62.100 -0.066 0.000 1.152 115 T CB -0.351 68.491 68.868 -0.044 0.000 0.864 115 T HN 0.361 nan 8.240 nan 0.000 0.419 116 L N 0.615 121.843 121.223 0.009 0.000 2.156 116 L HA -0.005 4.342 4.340 0.012 0.000 0.208 116 L C 2.536 179.425 176.870 0.031 0.000 1.095 116 L CA 0.660 55.526 54.840 0.043 0.000 0.770 116 L CB -0.378 41.727 42.059 0.077 0.000 0.914 116 L HN 0.150 nan 8.230 nan 0.000 0.439 117 V N -1.828 118.089 119.914 0.005 0.000 2.500 117 V HA -0.079 4.048 4.120 0.012 0.000 0.243 117 V C 1.909 177.980 176.094 -0.038 0.000 1.039 117 V CA 1.602 63.897 62.300 -0.009 0.000 1.053 117 V CB 0.285 32.103 31.823 -0.007 0.000 0.695 117 V HN 0.309 nan 8.190 nan 0.000 0.463 118 S N -1.385 114.277 115.700 -0.063 0.000 2.559 118 S HA 0.146 4.623 4.470 0.012 0.000 0.226 118 S C 1.018 175.577 174.600 -0.068 0.000 1.000 118 S CA 0.694 58.847 58.200 -0.078 0.000 0.948 118 S CB 0.607 63.733 63.200 -0.122 0.000 0.870 118 S HN 0.499 nan 8.310 nan 0.000 0.497 119 S N 1.158 116.827 115.700 -0.051 0.000 3.561 119 S HA -0.223 4.254 4.470 0.012 0.000 0.318 119 S C 0.366 174.926 174.600 -0.067 0.000 1.181 119 S CA 0.290 58.469 58.200 -0.034 0.000 0.916 119 S CB -1.785 61.414 63.200 -0.003 0.000 0.966 119 S HN 0.896 nan 8.310 nan 0.000 0.550 120 A N 1.322 124.070 122.820 -0.119 0.000 2.515 120 A HA 0.330 4.657 4.320 0.012 0.000 0.263 120 A C 1.236 178.743 177.584 -0.128 0.000 1.096 120 A CA 0.336 52.279 52.037 -0.157 0.000 0.769 120 A CB 0.097 18.936 19.000 -0.269 0.000 1.040 120 A HN 0.664 nan 8.150 nan 0.000 0.505 121 N N 2.007 120.643 118.700 -0.107 0.000 2.188 121 N HA -0.103 4.644 4.740 0.012 0.000 0.184 121 N C 1.639 177.067 175.510 -0.138 0.000 1.018 121 N CA 1.580 54.572 53.050 -0.097 0.000 0.858 121 N CB -0.064 38.379 38.487 -0.073 0.000 0.989 121 N HN 0.623 nan 8.380 nan 0.000 0.426 122 S N 0.819 116.426 115.700 -0.155 0.000 2.447 122 S HA 0.026 4.503 4.470 0.012 0.000 0.233 122 S C 2.038 176.555 174.600 -0.139 0.000 1.006 122 S CA 0.763 58.864 58.200 -0.165 0.000 0.957 122 S CB -0.033 63.090 63.200 -0.129 0.000 0.773 122 S HN 0.451 nan 8.310 nan 0.000 0.507 123 A N 1.691 124.421 122.820 -0.151 0.000 1.873 123 A HA 0.174 4.501 4.320 0.012 0.000 0.215 123 A C 2.354 179.868 177.584 -0.117 0.000 1.186 123 A CA 1.543 53.502 52.037 -0.130 0.000 0.616 123 A CB -1.132 17.763 19.000 -0.175 0.000 0.823 123 A HN 0.495 nan 8.150 nan 0.000 0.442 124 A N 0.245 122.992 122.820 -0.123 0.000 1.851 124 A HA -0.123 4.204 4.320 0.012 0.000 0.216 124 A C 2.137 179.609 177.584 -0.187 0.000 1.195 124 A CA 1.633 53.591 52.037 -0.132 0.000 0.622 124 A CB -0.769 18.180 19.000 -0.085 0.000 0.831 124 A HN 0.493 nan 8.150 nan 0.000 0.444 125 I N -0.161 120.307 120.570 -0.170 0.000 2.118 125 I HA -0.346 3.831 4.170 0.012 0.000 0.241 125 I C 3.033 179.049 176.117 -0.169 0.000 1.070 125 I CA 1.259 62.451 61.300 -0.180 0.000 1.327 125 I CB -0.588 37.249 38.000 -0.272 0.000 1.034 125 I HN 0.389 nan 8.210 nan 0.000 0.405 126 A N 1.186 123.924 122.820 -0.136 0.000 1.884 126 A HA -0.232 4.095 4.320 0.012 0.000 0.219 126 A C 2.326 179.849 177.584 -0.102 0.000 1.197 126 A CA 1.822 53.811 52.037 -0.080 0.000 0.637 126 A CB -1.099 17.886 19.000 -0.025 0.000 0.827 126 A HN 0.415 nan 8.150 nan 0.000 0.450 127 L N -0.976 120.162 121.223 -0.142 0.000 2.042 127 L HA -0.246 4.101 4.340 0.012 0.000 0.210 127 L C 3.120 179.818 176.870 -0.286 0.000 1.076 127 L CA 1.158 55.894 54.840 -0.172 0.000 0.749 127 L CB -0.567 41.383 42.059 -0.182 0.000 0.893 127 L HN 0.481 nan 8.230 nan 0.000 0.432 128 A N -0.172 122.349 122.820 -0.499 0.000 1.877 128 A HA -0.220 4.107 4.320 0.012 0.000 0.216 128 A C 2.170 179.620 177.584 -0.224 0.000 1.186 128 A CA 1.685 53.233 52.037 -0.816 0.000 0.620 128 A CB -0.448 18.011 19.000 -0.901 0.000 0.822 128 A HN 0.461 nan 8.150 nan 0.000 0.443 129 E N -0.683 119.453 120.200 -0.108 0.000 2.153 129 E HA -0.212 4.145 4.350 0.012 0.000 0.194 129 E C 2.035 178.643 176.600 0.013 0.000 0.988 129 E CA 1.331 57.733 56.400 0.003 0.000 0.811 129 E CB -0.097 29.616 29.700 0.022 0.000 0.746 129 E HN 0.496 nan 8.360 nan 0.000 0.466 130 K N 1.358 121.748 120.400 -0.017 0.000 2.097 130 K HA -0.079 4.248 4.320 0.012 0.000 0.205 130 K C 1.722 178.341 176.600 0.032 0.000 1.050 130 K CA 1.071 57.360 56.287 0.002 0.000 0.938 130 K CB -0.071 32.420 32.500 -0.015 0.000 0.718 130 K HN 0.093 nan 8.250 nan 0.000 0.442 131 I N -0.803 119.800 120.570 0.057 0.000 2.703 131 I HA -0.001 4.176 4.170 0.012 0.000 0.259 131 I C 1.524 177.747 176.117 0.176 0.000 1.151 131 I CA 0.922 62.304 61.300 0.137 0.000 1.470 131 I CB 0.085 38.237 38.000 0.253 0.000 1.112 131 I HN 0.168 nan 8.210 nan 0.000 0.437 132 A N -0.459 122.490 122.820 0.214 0.000 2.508 132 A HA 0.537 4.864 4.320 0.012 0.000 0.250 132 A C 1.530 179.187 177.584 0.122 0.000 1.208 132 A CA 0.536 52.685 52.037 0.187 0.000 0.960 132 A CB 0.270 19.440 19.000 0.283 0.000 1.099 132 A HN 0.452 nan 8.150 nan 0.000 0.542 133 G N -0.046 108.811 108.800 0.094 0.000 2.454 133 G HA2 -0.208 3.759 3.960 0.012 0.000 0.225 133 G HA3 -0.208 3.759 3.960 0.012 0.000 0.225 133 G C 0.523 175.465 174.900 0.070 0.000 1.138 133 G CA 0.754 45.894 45.100 0.066 0.000 0.667 133 G HN 2.052 nan 8.290 nan 0.000 0.512 134 S N -0.787 114.970 115.700 0.094 0.000 2.579 134 S HA 0.693 5.170 4.470 0.012 0.000 0.272 134 S C 0.387 175.075 174.600 0.147 0.000 1.141 134 S CA 0.583 58.841 58.200 0.097 0.000 0.843 134 S CB 2.264 65.498 63.200 0.057 0.000 1.122 134 S HN 0.501 nan 8.310 nan 0.000 0.468 135 E N 1.200 121.494 120.200 0.156 0.000 2.110 135 E HA -0.189 4.168 4.350 0.012 0.000 0.193 135 E C 1.786 178.535 176.600 0.249 0.000 0.988 135 E CA 1.348 57.873 56.400 0.210 0.000 0.804 135 E CB -0.116 29.726 29.700 0.236 0.000 0.745 135 E HN 0.680 nan 8.360 nan 0.000 0.458 136 K N 0.457 120.946 120.400 0.148 0.000 2.009 136 K HA -0.216 4.111 4.320 0.012 0.000 0.210 136 K C 1.638 178.353 176.600 0.191 0.000 1.049 136 K CA 1.992 58.345 56.287 0.111 0.000 0.929 136 K CB -0.106 32.303 32.500 -0.151 0.000 0.714 136 K HN 0.137 nan 8.250 nan 0.000 0.440 137 D N 0.061 120.543 120.400 0.136 0.000 2.117 137 D HA -0.179 4.468 4.640 0.012 0.000 0.197 137 D C 1.798 178.191 176.300 0.155 0.000 0.987 137 D CA 0.996 55.071 54.000 0.125 0.000 0.829 137 D CB -0.320 40.539 40.800 0.098 0.000 0.961 137 D HN 0.208 nan 8.370 nan 0.000 0.460 138 F N 1.630 121.627 119.950 0.078 0.000 2.126 138 F HA -0.225 4.308 4.527 0.010 0.000 0.299 138 F C 2.319 178.168 175.800 0.082 0.000 1.096 138 F CA 0.946 58.989 58.000 0.072 0.000 1.255 138 F CB -0.192 38.852 39.000 0.073 0.000 0.997 138 F HN -0.231 nan 8.300 nan 0.000 0.479 139 V N -0.124 119.947 119.914 0.261 0.000 2.343 139 V HA -0.259 3.868 4.120 0.012 0.000 0.247 139 V C 1.029 177.144 176.094 0.036 0.000 1.051 139 V CA 1.483 63.882 62.300 0.165 0.000 1.036 139 V CB -0.699 31.280 31.823 0.259 0.000 0.654 139 V HN 0.193 nan 8.190 nan 0.000 0.451 144 A N 1.738 124.462 122.820 -0.160 0.000 1.872 144 A HA -0.156 4.171 4.320 0.012 0.000 0.214 144 A C 1.953 179.382 177.584 -0.258 0.000 1.187 144 A CA 1.865 53.801 52.037 -0.167 0.000 0.614 144 A CB -0.260 18.654 19.000 -0.143 0.000 0.826 144 A HN 0.078 nan 8.150 nan 0.000 0.442 145 K N 0.349 120.530 120.400 -0.365 0.000 2.063 145 K HA -0.059 4.268 4.320 0.012 0.000 0.208 145 K C 1.729 177.837 176.600 -0.820 0.000 1.048 145 K CA 1.596 57.482 56.287 -0.668 0.000 0.928 145 K CB -0.699 31.353 32.500 -0.746 0.000 0.713 145 K HN 0.469 nan 8.250 nan 0.000 0.442 146 L N 0.144 121.095 121.223 -0.453 0.000 2.083 146 L HA -0.166 4.181 4.340 0.012 0.000 0.209 146 L C 2.342 179.162 176.870 -0.084 0.000 1.083 146 L CA 1.128 55.869 54.840 -0.165 0.000 0.752 146 L CB -0.428 41.613 42.059 -0.030 0.000 0.899 146 L HN 0.191 nan 8.230 nan 0.000 0.433 147 L N -0.611 120.537 121.223 -0.124 0.000 2.131 147 L HA -0.202 4.145 4.340 0.012 0.000 0.210 147 L C 2.500 179.334 176.870 -0.061 0.000 1.092 147 L CA 1.086 55.887 54.840 -0.065 0.000 0.759 147 L CB -0.414 41.603 42.059 -0.071 0.000 0.903 147 L HN 0.314 nan 8.230 nan 0.000 0.435 148 E N -0.446 119.659 120.200 -0.158 0.000 2.051 148 E HA -0.221 4.136 4.350 0.012 0.000 0.192 148 E C 1.818 178.441 176.600 0.039 0.000 0.991 148 E CA 1.107 57.431 56.400 -0.126 0.000 0.799 148 E CB -0.043 29.485 29.700 -0.288 0.000 0.748 148 E HN 0.486 nan 8.360 nan 0.000 0.449 149 W N -0.026 121.242 121.300 -0.052 0.000 2.961 149 W HA 0.124 4.790 4.660 0.010 0.000 0.240 149 W C 1.309 177.807 176.519 -0.035 0.000 1.305 149 W CA 1.148 58.456 57.345 -0.062 0.000 1.465 149 W CB -0.491 28.907 29.460 -0.103 0.000 1.135 149 W HN 0.273 nan 8.180 nan 0.000 0.688 150 G N 0.422 109.325 108.800 0.171 0.000 2.157 150 G HA2 -0.307 3.660 3.960 0.012 0.000 0.248 150 G HA3 -0.307 3.660 3.960 0.012 0.000 0.248 150 G C 0.048 175.020 174.900 0.121 0.000 0.979 150 G CA -0.262 44.909 45.100 0.118 0.000 0.650 150 G HN 0.212 nan 8.290 nan 0.000 0.529 151 I N 1.398 122.050 120.570 0.137 0.000 2.301 151 I HA 0.276 4.453 4.170 0.012 0.000 0.292 151 I C 1.235 177.391 176.117 0.066 0.000 1.046 151 I CA -0.192 61.181 61.300 0.120 0.000 1.282 151 I CB 1.144 39.233 38.000 0.148 0.000 1.409 151 I HN 0.381 nan 8.210 nan 0.000 0.484 152 Q N 4.022 123.851 119.800 0.047 0.000 2.135 152 Q HA 0.117 4.464 4.340 0.012 0.000 0.222 152 Q C -0.232 175.773 176.000 0.008 0.000 0.808 152 Q CA -0.266 55.548 55.803 0.018 0.000 1.049 152 Q CB 0.371 29.116 28.738 0.011 0.000 1.168 152 Q HN 0.709 nan 8.270 nan 0.000 0.483 153 D N -0.033 120.376 120.400 0.015 0.000 2.503 153 D HA 0.219 4.866 4.640 0.012 0.000 0.218 153 D C 0.213 176.513 176.300 0.000 0.000 1.183 153 D CA -0.349 53.653 54.000 0.002 0.000 0.827 153 D CB 0.290 41.090 40.800 -0.000 0.000 1.034 153 D HN 0.241 nan 8.370 nan 0.000 0.510 154 A N 0.084 122.908 122.820 0.006 0.000 2.332 154 A HA 0.584 4.911 4.320 0.012 0.000 0.258 154 A C 0.039 177.611 177.584 -0.020 0.000 1.087 154 A CA -0.109 51.929 52.037 0.002 0.000 0.802 154 A CB 0.533 19.543 19.000 0.016 0.000 1.042 154 A HN 0.092 nan 8.150 nan 0.000 0.489 155 T N 1.377 115.917 114.554 -0.023 0.000 2.930 155 T HA 0.493 4.850 4.350 0.012 0.000 0.313 155 T C -1.001 173.674 174.700 -0.042 0.000 1.019 155 T CA -0.204 61.871 62.100 -0.042 0.000 1.004 155 T CB 0.717 69.565 68.868 -0.034 0.000 0.987 155 T HN 0.462 nan 8.240 nan 0.000 0.456 156 V N 4.357 124.226 119.914 -0.074 0.000 2.444 156 V HA 0.370 4.497 4.120 0.012 0.000 0.294 156 V C 0.973 176.989 176.094 -0.130 0.000 1.022 156 V CA -0.617 61.645 62.300 -0.062 0.000 0.850 156 V CB 1.498 33.297 31.823 -0.039 0.000 0.992 156 V HN 0.795 nan 8.190 nan 0.000 0.426 157 V N 1.325 121.200 119.914 -0.065 0.000 3.572 157 V HA 0.427 4.554 4.120 0.012 0.000 0.260 157 V C 0.317 176.468 176.094 0.095 0.000 1.324 157 V CA 0.646 62.909 62.300 -0.062 0.000 1.068 157 V CB -0.056 31.761 31.823 -0.010 0.000 0.837 157 V HN 0.869 nan 8.190 nan 0.000 0.450 158 N N -0.554 118.208 118.700 0.105 0.000 2.732 158 N HA 0.406 5.153 4.740 0.012 0.000 0.259 158 N C 0.324 175.930 175.510 0.160 0.000 1.402 158 N CA 0.115 53.260 53.050 0.158 0.000 0.829 158 N CB 1.110 39.685 38.487 0.148 0.000 1.495 158 N HN 0.028 nan 8.380 nan 0.000 0.511 159 T N -4.857 109.803 114.554 0.176 0.000 3.107 159 T HA 0.053 4.410 4.350 0.012 0.000 0.249 159 T C 1.079 175.841 174.700 0.104 0.000 1.096 159 T CA 1.143 63.348 62.100 0.174 0.000 1.012 159 T CB -0.745 68.198 68.868 0.126 0.000 0.977 159 T HN 0.719 nan 8.240 nan 0.000 0.527 160 T N -2.264 112.340 114.554 0.083 0.000 3.045 160 T HA 0.517 4.874 4.350 0.012 0.000 0.239 160 T C 2.011 176.746 174.700 0.058 0.000 1.008 160 T CA 0.859 62.990 62.100 0.053 0.000 1.143 160 T CB -0.321 68.567 68.868 0.032 0.000 0.894 160 T HN 0.847 nan 8.240 nan 0.000 0.451 161 G N 1.149 109.988 108.800 0.065 0.000 2.211 161 G HA2 -0.105 3.862 3.960 0.012 0.000 0.201 161 G HA3 -0.105 3.862 3.960 0.012 0.000 0.201 161 G C -0.029 174.901 174.900 0.050 0.000 0.997 161 G CA -0.125 45.010 45.100 0.058 0.000 0.652 161 G HN 0.603 nan 8.290 nan 0.000 0.500 162 L N 0.837 122.091 121.223 0.051 0.000 2.468 162 L HA 0.326 4.673 4.340 0.012 0.000 0.253 162 L C 1.133 178.032 176.870 0.049 0.000 1.237 162 L CA -0.532 54.336 54.840 0.046 0.000 0.823 162 L CB 0.249 42.337 42.059 0.050 0.000 1.124 162 L HN 0.270 nan 8.230 nan 0.000 0.504 163 N N 0.364 119.090 118.700 0.042 0.000 2.509 163 N HA 0.046 4.793 4.740 0.012 0.000 0.287 163 N C 0.335 175.873 175.510 0.047 0.000 1.121 163 N CA -0.446 52.627 53.050 0.039 0.000 0.977 163 N CB 1.105 39.609 38.487 0.030 0.000 1.167 163 N HN 0.508 nan 8.380 nan 0.000 0.476 164 N N 1.982 120.710 118.700 0.046 0.000 2.205 164 N HA -0.143 4.604 4.740 0.012 0.000 0.186 164 N C 0.707 176.242 175.510 0.041 0.000 1.015 164 N CA 1.084 54.163 53.050 0.050 0.000 0.862 164 N CB -0.011 38.504 38.487 0.047 0.000 0.986 164 N HN 0.675 nan 8.380 nan 0.000 0.429 165 E N -0.433 119.786 120.200 0.032 0.000 2.331 165 E HA -0.099 4.258 4.350 0.012 0.000 0.199 165 E C 1.035 177.653 176.600 0.030 0.000 1.008 165 E CA 0.988 57.403 56.400 0.025 0.000 0.843 165 E CB -0.105 29.607 29.700 0.019 0.000 0.761 165 E HN 0.358 nan 8.360 nan 0.000 0.507 166 T N 0.748 115.325 114.554 0.039 0.000 3.054 166 T HA 0.074 4.431 4.350 0.012 0.000 0.259 166 T C 1.565 176.305 174.700 0.067 0.000 1.092 166 T CA 0.403 62.529 62.100 0.044 0.000 1.121 166 T CB 0.169 69.063 68.868 0.043 0.000 0.912 166 T HN 0.108 nan 8.240 nan 0.000 0.489 167 L N 0.541 121.809 121.223 0.076 0.000 2.607 167 L HA 0.315 4.662 4.340 0.012 0.000 0.228 167 L C 2.016 178.911 176.870 0.041 0.000 1.123 167 L CA -0.135 54.767 54.840 0.103 0.000 0.890 167 L CB -0.995 41.132 42.059 0.113 0.000 1.103 167 L HN 0.360 nan 8.230 nan 0.000 0.468 168 G N 2.380 111.197 108.800 0.029 0.000 2.690 168 G HA2 -0.470 3.497 3.960 0.012 0.000 0.334 168 G HA3 -0.470 3.497 3.960 0.012 0.000 0.334 168 G C 0.465 175.355 174.900 -0.017 0.000 1.250 168 G CA 1.096 46.200 45.100 0.007 0.000 0.994 168 G HN 0.531 nan 8.290 nan 0.000 0.549 169 D N 1.098 121.473 120.400 -0.041 0.000 2.323 169 D HA 0.068 4.715 4.640 0.012 0.000 0.209 169 D C 1.302 177.531 176.300 -0.118 0.000 0.973 169 D CA 0.646 54.608 54.000 -0.063 0.000 0.874 169 D CB -0.243 40.522 40.800 -0.058 0.000 0.930 169 D HN 0.368 nan 8.370 nan 0.000 0.521 170 N N 1.327 119.912 118.700 -0.192 0.000 2.906 170 N HA 0.102 4.849 4.740 0.012 0.000 0.282 170 N C 0.131 175.516 175.510 -0.207 0.000 1.293 170 N CA 0.097 52.927 53.050 -0.366 0.000 1.059 170 N CB 0.060 37.993 38.487 -0.923 0.000 1.388 170 N HN 0.525 nan 8.380 nan 0.000 0.533 171 I N -3.037 117.480 120.570 -0.088 0.000 2.707 171 I HA 0.379 4.556 4.170 0.012 0.000 0.309 171 I C 0.191 176.327 176.117 0.032 0.000 1.001 171 I CA -1.185 60.121 61.300 0.010 0.000 1.129 171 I CB 0.828 38.850 38.000 0.038 0.000 1.308 171 I HN -0.145 nan 8.210 nan 0.000 0.466 172 Y N 4.172 124.469 120.300 -0.006 0.000 2.712 172 Y HA 0.199 4.752 4.550 0.004 0.000 0.333 172 Y C -2.155 173.742 175.900 -0.005 0.000 1.225 172 Y CA -1.046 57.056 58.100 0.002 0.000 1.499 172 Y CB 0.324 38.795 38.460 0.018 0.000 1.288 172 Y HN 0.412 nan 8.280 nan 0.000 0.575 173 P HA 0.146 nan 4.420 nan 0.000 0.265 173 P C 0.345 177.728 177.300 0.137 0.000 1.222 173 P CA 1.776 64.824 63.100 -0.087 0.000 0.767 173 P CB 0.500 32.069 31.700 -0.219 0.000 0.801 174 G N 2.425 111.293 108.800 0.113 0.000 2.279 174 G HA2 -0.242 3.725 3.960 0.012 0.000 0.223 174 G HA3 -0.242 3.725 3.960 0.012 0.000 0.223 174 G C 0.446 175.415 174.900 0.116 0.000 1.015 174 G CA 0.144 45.317 45.100 0.121 0.000 0.621 174 G HN 0.729 nan 8.290 nan 0.000 0.506 175 S N 0.952 116.751 115.700 0.166 0.000 2.579 175 S HA 0.575 5.052 4.470 0.012 0.000 0.275 175 S C 0.332 174.971 174.600 0.065 0.000 1.345 175 S CA 0.336 58.598 58.200 0.103 0.000 1.031 175 S CB 1.365 64.644 63.200 0.131 0.000 0.892 175 S HN 0.605 nan 8.310 nan 0.000 0.529 176 K N 1.004 121.429 120.400 0.041 0.000 2.126 176 K HA 0.232 4.559 4.320 0.012 0.000 0.257 176 K C 0.990 177.608 176.600 0.030 0.000 1.007 176 K CA -0.710 55.595 56.287 0.030 0.000 0.928 176 K CB 0.572 33.084 32.500 0.020 0.000 1.013 176 K HN 0.591 nan 8.250 nan 0.000 0.473 177 K N 0.981 121.396 120.400 0.023 0.000 2.280 177 K HA -0.146 4.181 4.320 0.012 0.000 0.202 177 K C 0.321 176.935 176.600 0.022 0.000 1.047 177 K CA 1.633 57.933 56.287 0.022 0.000 0.942 177 K CB -0.017 32.492 32.500 0.015 0.000 0.739 177 K HN 0.600 nan 8.250 nan 0.000 0.457 178 D N -0.403 120.009 120.400 0.020 0.000 2.501 178 D HA 0.049 4.696 4.640 0.012 0.000 0.224 178 D C -0.208 176.104 176.300 0.020 0.000 1.202 178 D CA -0.293 53.718 54.000 0.019 0.000 0.829 178 D CB -0.037 40.772 40.800 0.014 0.000 1.023 178 D HN -0.058 nan 8.370 nan 0.000 0.499 179 E N 0.799 121.013 120.200 0.023 0.000 2.404 179 E HA 0.188 4.545 4.350 0.012 0.000 0.261 179 E C -0.093 176.521 176.600 0.023 0.000 1.074 179 E CA 0.415 56.827 56.400 0.019 0.000 0.917 179 E CB 1.056 30.768 29.700 0.019 0.000 0.965 179 E HN 0.312 nan 8.360 nan 0.000 0.433 180 E N 1.373 121.583 120.200 0.017 0.000 2.367 180 E HA 0.232 4.589 4.350 0.012 0.000 0.273 180 E C -0.939 175.670 176.600 0.015 0.000 0.903 180 E CA -0.927 55.486 56.400 0.022 0.000 0.764 180 E CB 1.477 31.190 29.700 0.022 0.000 1.252 180 E HN 0.337 nan 8.360 nan 0.000 0.446 181 N N 2.098 120.812 118.700 0.023 0.000 2.441 181 N HA 0.112 4.859 4.740 0.012 0.000 0.251 181 N C -0.682 174.835 175.510 0.012 0.000 1.242 181 N CA 0.480 53.540 53.050 0.017 0.000 0.898 181 N CB 0.541 39.048 38.487 0.034 0.000 1.100 181 N HN 0.247 nan 8.380 nan 0.000 0.443 182 K N 1.762 122.164 120.400 0.003 0.000 2.482 182 K HA 0.532 4.859 4.320 0.012 0.000 0.251 182 K C -1.041 175.559 176.600 -0.001 0.000 0.936 182 K CA -0.629 55.656 56.287 -0.004 0.000 0.791 182 K CB 2.034 34.525 32.500 -0.015 0.000 1.213 182 K HN 0.276 nan 8.250 nan 0.000 0.428 183 L N 0.790 122.012 121.223 -0.002 0.000 2.465 183 L HA 0.305 4.652 4.340 0.012 0.000 0.257 183 L C -0.072 176.794 176.870 -0.006 0.000 0.988 183 L CA -0.477 54.370 54.840 0.011 0.000 0.827 183 L CB 2.219 44.297 42.059 0.032 0.000 1.397 183 L HN 0.762 nan 8.230 nan 0.000 0.410 184 S N 0.602 116.310 115.700 0.013 0.000 2.632 184 S HA 0.599 5.076 4.470 0.012 0.000 0.267 184 S C 1.132 175.759 174.600 0.046 0.000 1.276 184 S CA 0.002 58.205 58.200 0.004 0.000 0.998 184 S CB 1.524 64.745 63.200 0.035 0.000 0.953 184 S HN 0.789 nan 8.310 nan 0.000 0.547 185 A N 0.885 123.737 122.820 0.053 0.000 1.940 185 A HA -0.049 4.278 4.320 0.012 0.000 0.219 185 A C 1.888 179.528 177.584 0.092 0.000 1.176 185 A CA 1.662 53.745 52.037 0.076 0.000 0.631 185 A CB -1.443 17.623 19.000 0.111 0.000 0.814 185 A HN 1.032 nan 8.150 nan 0.000 0.446 186 Y N 1.169 121.464 120.300 -0.009 0.000 2.097 186 Y HA -0.265 4.291 4.550 0.011 0.000 0.282 186 Y C 2.042 177.928 175.900 -0.023 0.000 1.152 186 Y CA 2.209 60.299 58.100 -0.016 0.000 1.136 186 Y CB -0.201 38.250 38.460 -0.015 0.000 0.975 186 Y HN 0.360 nan 8.280 nan 0.000 0.498 187 D N -0.426 120.078 120.400 0.174 0.000 2.104 187 D HA -0.200 4.447 4.640 0.012 0.000 0.194 187 D C 2.401 178.684 176.300 -0.028 0.000 0.994 187 D CA 1.906 55.950 54.000 0.074 0.000 0.830 187 D CB -0.534 40.330 40.800 0.106 0.000 0.959 187 D HN 0.332 nan 8.370 nan 0.000 0.452 188 V N 1.708 121.615 119.914 -0.013 0.000 2.332 188 V HA -0.267 3.860 4.120 0.012 0.000 0.248 188 V C 2.615 178.648 176.094 -0.102 0.000 1.055 188 V CA 1.821 64.099 62.300 -0.036 0.000 1.038 188 V CB -0.907 30.910 31.823 -0.011 0.000 0.651 188 V HN 0.183 nan 8.190 nan 0.000 0.450 189 A N 0.087 122.830 122.820 -0.128 0.000 1.892 189 A HA -0.236 4.091 4.320 0.012 0.000 0.218 189 A C 2.203 179.635 177.584 -0.253 0.000 1.188 189 A CA 2.273 54.203 52.037 -0.179 0.000 0.631 189 A CB -0.619 18.258 19.000 -0.205 0.000 0.822 189 A HN 0.506 nan 8.150 nan 0.000 0.447 190 I N -0.567 119.812 120.570 -0.319 0.000 2.127 190 I HA -0.266 3.911 4.170 0.012 0.000 0.241 190 I C 2.423 178.259 176.117 -0.468 0.000 1.075 190 I CA 1.520 62.593 61.300 -0.378 0.000 1.334 190 I CB -0.504 37.296 38.000 -0.333 0.000 1.040 190 I HN 0.186 nan 8.210 nan 0.000 0.405 191 V N 1.133 120.816 119.914 -0.386 0.000 2.231 191 V HA -0.372 3.755 4.120 0.012 0.000 0.248 191 V C 2.739 178.620 176.094 -0.354 0.000 1.054 191 V CA 2.257 64.287 62.300 -0.451 0.000 1.015 191 V CB -1.171 30.577 31.823 -0.125 0.000 0.638 191 V HN 0.546 nan 8.190 nan 0.000 0.444 192 A N -0.275 122.421 122.820 -0.206 0.000 1.883 192 A HA -0.305 4.022 4.320 0.012 0.000 0.217 192 A C 2.419 179.901 177.584 -0.171 0.000 1.186 192 A CA 2.359 54.312 52.037 -0.140 0.000 0.624 192 A CB -0.647 18.284 19.000 -0.114 0.000 0.822 192 A HN 0.505 nan 8.150 nan 0.000 0.444 193 R N -0.419 119.944 120.500 -0.228 0.000 2.070 193 R HA -0.171 4.176 4.340 0.012 0.000 0.233 193 R C 1.865 178.019 176.300 -0.244 0.000 1.137 193 R CA 1.798 57.768 56.100 -0.216 0.000 0.945 193 R CB -0.368 29.794 30.300 -0.231 0.000 0.845 193 R HN 0.548 nan 8.270 nan 0.000 0.430 194 N N 1.001 119.451 118.700 -0.417 0.000 2.149 194 N HA -0.194 4.553 4.740 0.012 0.000 0.188 194 N C 1.690 177.133 175.510 -0.111 0.000 1.019 194 N CA 1.024 53.806 53.050 -0.446 0.000 0.857 194 N CB -0.384 37.429 38.487 -1.123 0.000 0.997 194 N HN 0.189 nan 8.380 nan 0.000 0.426 195 L N 1.328 122.518 121.223 -0.055 0.000 1.988 195 L HA 0.013 4.360 4.340 0.012 0.000 0.207 195 L C 2.024 178.969 176.870 0.126 0.000 1.071 195 L CA 1.342 56.349 54.840 0.279 0.000 0.744 195 L CB -0.712 41.489 42.059 0.236 0.000 0.893 195 L HN 0.069 nan 8.230 nan 0.000 0.433 196 I N -0.609 119.966 120.570 0.008 0.000 2.208 196 I HA -0.325 3.852 4.170 0.012 0.000 0.245 196 I C 2.506 178.589 176.117 -0.056 0.000 1.097 196 I CA 1.477 62.759 61.300 -0.030 0.000 1.363 196 I CB -0.362 37.607 38.000 -0.053 0.000 1.051 196 I HN 0.295 nan 8.210 nan 0.000 0.413 197 K N 0.549 120.904 120.400 -0.074 0.000 2.097 197 K HA -0.207 4.120 4.320 0.012 0.000 0.205 197 K C 2.138 178.662 176.600 -0.127 0.000 1.050 197 K CA 1.188 57.421 56.287 -0.090 0.000 0.938 197 K CB 0.042 32.485 32.500 -0.095 0.000 0.718 197 K HN -0.036 nan 8.250 nan 0.000 0.442 198 K N -0.388 119.916 120.400 -0.160 0.000 2.211 198 K HA -0.024 4.303 4.320 0.012 0.000 0.201 198 K C -0.286 175.869 176.600 -0.743 0.000 1.052 198 K CA 1.008 57.051 56.287 -0.405 0.000 0.973 198 K CB 0.392 32.676 32.500 -0.359 0.000 0.766 198 K HN 0.009 nan 8.250 nan 0.000 0.466 199 Y N -0.188 120.038 120.300 -0.124 0.000 2.584 199 Y HA 0.330 4.887 4.550 0.012 0.000 0.358 199 Y C -2.198 173.538 175.900 -0.272 0.000 1.028 199 Y CA -2.620 55.305 58.100 -0.291 0.000 1.148 199 Y CB 1.490 39.587 38.460 -0.606 0.000 1.126 199 Y HN 0.061 nan 8.280 nan 0.000 0.658 200 P HA -0.190 nan 4.420 nan 0.000 0.221 200 P C 0.985 178.252 177.300 -0.054 0.000 1.145 200 P CA 1.552 64.616 63.100 -0.060 0.000 0.795 200 P CB 0.386 32.057 31.700 -0.049 0.000 0.775 201 Q N -0.681 119.078 119.800 -0.068 0.000 2.135 201 Q HA -0.136 4.211 4.340 0.012 0.000 0.204 201 Q C 2.140 178.132 176.000 -0.014 0.000 0.981 201 Q CA 1.124 56.912 55.803 -0.026 0.000 0.856 201 Q CB -1.652 27.097 28.738 0.017 0.000 0.902 201 Q HN 0.106 nan 8.270 nan 0.000 0.425 202 V N 0.648 120.479 119.914 -0.138 0.000 2.527 202 V HA -0.269 3.858 4.120 0.012 0.000 0.255 202 V C 1.732 177.865 176.094 0.064 0.000 1.081 202 V CA 1.586 63.890 62.300 0.008 0.000 1.092 202 V CB -0.283 31.509 31.823 -0.052 0.000 0.673 202 V HN 0.427 nan 8.190 nan 0.000 0.470 203 L N -0.498 120.739 121.223 0.025 0.000 2.201 203 L HA -0.082 4.265 4.340 0.012 0.000 0.212 203 L C 2.504 179.403 176.870 0.049 0.000 1.105 203 L CA 1.177 56.037 54.840 0.035 0.000 0.775 203 L CB -0.623 41.441 42.059 0.009 0.000 0.913 203 L HN 0.315 nan 8.230 nan 0.000 0.440 204 E N 0.063 120.295 120.200 0.053 0.000 2.409 204 E HA -0.088 4.269 4.350 0.012 0.000 0.198 204 E C 1.934 178.577 176.600 0.072 0.000 1.024 204 E CA 0.879 57.315 56.400 0.058 0.000 0.861 204 E CB 0.161 29.897 29.700 0.060 0.000 0.788 204 E HN 0.586 nan 8.360 nan 0.000 0.521 205 I N 0.058 120.681 120.570 0.089 0.000 2.962 205 I HA -0.144 4.033 4.170 0.012 0.000 0.246 205 I C 2.441 178.605 176.117 0.078 0.000 1.091 205 I CA 1.087 62.441 61.300 0.091 0.000 1.469 205 I CB -0.642 37.430 38.000 0.120 0.000 1.324 205 I HN 0.029 nan 8.210 nan 0.000 0.461 206 T N -0.295 114.312 114.554 0.088 0.000 2.760 206 T HA -0.308 4.049 4.350 0.012 0.000 0.269 206 T C 1.823 176.570 174.700 0.078 0.000 1.047 206 T CA 1.793 63.945 62.100 0.087 0.000 1.139 206 T CB -0.475 68.454 68.868 0.102 0.000 0.855 206 T HN 0.235 nan 8.240 nan 0.000 0.471 207 K N 1.511 121.954 120.400 0.072 0.000 2.032 207 K HA -0.086 4.241 4.320 0.012 0.000 0.209 207 K C 0.569 177.202 176.600 0.055 0.000 1.048 207 K CA 1.014 57.341 56.287 0.066 0.000 0.927 207 K CB -0.229 32.304 32.500 0.056 0.000 0.712 207 K HN 0.412 nan 8.250 nan 0.000 0.441 208 K N 1.860 122.289 120.400 0.049 0.000 2.466 208 K HA -0.038 4.289 4.320 0.012 0.000 0.278 208 K C -1.853 174.761 176.600 0.023 0.000 1.048 208 K CA -0.710 55.599 56.287 0.038 0.000 1.088 208 K CB 0.666 33.190 32.500 0.040 0.000 0.884 208 K HN 0.234 nan 8.250 nan 0.000 0.478 209 P HA -0.080 nan 4.420 nan 0.000 0.236 209 P C -0.476 176.823 177.300 -0.001 0.000 1.177 209 P CA 0.615 63.715 63.100 0.000 0.000 0.773 209 P CB 0.412 32.121 31.700 0.015 0.000 0.878 210 S N -2.682 113.026 115.700 0.013 0.000 2.558 210 S HA 0.576 5.053 4.470 0.012 0.000 0.277 210 S C -0.900 173.718 174.600 0.029 0.000 1.143 210 S CA -0.555 57.656 58.200 0.018 0.000 0.865 210 S CB 1.672 64.886 63.200 0.022 0.000 1.102 210 S HN 0.060 nan 8.310 nan 0.000 0.454 211 S N 0.396 116.118 115.700 0.038 0.000 2.819 211 S HA 0.883 5.360 4.470 0.012 0.000 0.299 211 S C -1.337 173.305 174.600 0.069 0.000 1.192 211 S CA -0.402 57.829 58.200 0.052 0.000 0.847 211 S CB 1.388 64.624 63.200 0.059 0.000 1.224 211 S HN 1.161 nan 8.310 nan 0.000 0.537 212 T N 1.920 116.525 114.554 0.085 0.000 2.829 212 T HA 0.604 4.961 4.350 0.012 0.000 0.280 212 T C -1.424 173.375 174.700 0.165 0.000 0.999 212 T CA -0.223 61.938 62.100 0.102 0.000 0.983 212 T CB 1.051 69.957 68.868 0.063 0.000 0.968 212 T HN 0.439 nan 8.240 nan 0.000 0.446 213 F N 3.151 123.104 119.950 0.005 0.000 2.443 213 F HA 0.529 5.064 4.527 0.014 0.000 0.369 213 F C 0.617 176.442 175.800 0.041 0.000 1.090 213 F CA -0.886 57.111 58.000 -0.005 0.000 1.129 213 F CB -0.068 38.893 39.000 -0.065 0.000 1.367 213 F HN 0.979 nan 8.300 nan 0.000 0.465 214 A N 3.649 126.298 122.820 -0.284 0.000 2.687 214 A HA 0.224 4.551 4.320 0.012 0.000 0.299 214 A C 1.080 178.639 177.584 -0.040 0.000 1.497 214 A CA 1.333 53.259 52.037 -0.185 0.000 0.751 214 A CB -2.047 16.835 19.000 -0.197 0.000 1.048 214 A HN 2.492 nan 8.150 nan 0.000 0.464 218 I N -0.425 120.176 120.570 0.051 0.000 2.525 218 I HA 0.866 5.043 4.170 0.012 0.000 0.301 218 I C -0.414 175.707 176.117 0.008 0.000 0.992 218 I CA -0.599 60.708 61.300 0.012 0.000 1.162 218 I CB 1.955 39.942 38.000 -0.023 0.000 1.332 218 I HN 0.422 nan 8.210 nan 0.000 0.458 219 T N 3.326 117.877 114.554 -0.005 0.000 2.855 219 T HA 0.268 4.625 4.350 0.012 0.000 0.281 219 T C -0.046 174.627 174.700 -0.045 0.000 1.007 219 T CA -0.382 61.715 62.100 -0.006 0.000 1.009 219 T CB 1.627 70.508 68.868 0.023 0.000 0.983 219 T HN 0.749 nan 8.240 nan 0.000 0.455 220 S N 0.766 116.422 115.700 -0.073 0.000 2.585 220 S HA 0.222 4.699 4.470 0.012 0.000 0.273 220 S C 1.474 175.906 174.600 -0.281 0.000 1.339 220 S CA -0.186 57.936 58.200 -0.131 0.000 1.028 220 S CB 0.436 63.564 63.200 -0.120 0.000 0.906 220 S HN 0.874 nan 8.310 nan 0.000 0.528 221 T N 0.672 115.062 114.554 -0.274 0.000 3.086 221 T HA 0.177 4.534 4.350 0.012 0.000 0.250 221 T C 0.491 174.852 174.700 -0.565 0.000 1.074 221 T CA -0.264 61.603 62.100 -0.388 0.000 0.988 221 T CB -0.316 68.489 68.868 -0.104 0.000 0.988 221 T HN 0.458 nan 8.240 nan 0.000 0.530 222 N N 1.403 119.815 118.700 -0.480 0.000 2.439 222 N HA 0.181 4.928 4.740 0.012 0.000 0.243 222 N C -1.153 173.848 175.510 -0.847 0.000 1.088 222 N CA -0.394 52.321 53.050 -0.559 0.000 0.940 222 N CB 0.009 38.387 38.487 -0.181 0.000 1.180 222 N HN 0.233 nan 8.380 nan 0.000 0.505 226 E N 1.712 122.075 120.200 0.271 0.000 2.558 226 E HA 0.326 4.683 4.350 0.012 0.000 0.255 226 E C 0.480 177.110 176.600 0.050 0.000 0.968 226 E CA 1.211 57.741 56.400 0.216 0.000 0.939 226 E CB 0.335 30.112 29.700 0.129 0.000 0.921 226 E HN 0.758 nan 8.360 nan 0.000 0.477 230 A N 0.077 122.646 122.820 -0.419 0.000 2.579 230 A HA 0.314 4.641 4.320 0.012 0.000 0.273 230 A C 0.040 177.505 177.584 -0.198 0.000 1.363 230 A CA -0.255 51.616 52.037 -0.277 0.000 0.953 230 A CB -1.253 17.551 19.000 -0.327 0.000 1.034 230 A HN 0.355 nan 8.150 nan 0.000 0.536 231 Y N 1.019 121.193 120.300 -0.210 0.000 2.903 231 Y HA 0.163 4.720 4.550 0.012 0.000 0.338 231 Y C 0.527 176.385 175.900 -0.069 0.000 1.265 231 Y CA 0.822 58.841 58.100 -0.134 0.000 1.532 231 Y CB 0.323 38.735 38.460 -0.080 0.000 1.293 231 Y HN 0.439 nan 8.280 nan 0.000 0.609 232 R N 4.793 124.795 120.500 -0.828 0.000 2.569 232 R HA 0.394 4.741 4.340 0.012 0.000 0.293 232 R C -0.909 175.007 176.300 -0.640 0.000 1.186 232 R CA -0.114 55.697 56.100 -0.482 0.000 0.956 232 R CB 0.479 30.716 30.300 -0.104 0.000 1.196 232 R HN 0.949 nan 8.270 nan 0.000 0.444 233 G N 1.660 110.083 108.800 -0.628 0.000 2.178 233 G HA2 0.318 4.285 3.960 0.012 0.000 0.244 233 G HA3 0.318 4.285 3.960 0.012 0.000 0.244 233 G C 0.923 175.751 174.900 -0.120 0.000 1.213 233 G CA 0.656 45.593 45.100 -0.273 0.000 0.912 233 G HN 1.434 nan 8.290 nan 0.000 0.474 234 G N 1.982 110.728 108.800 -0.090 0.000 2.339 234 G HA2 -0.223 3.744 3.960 0.012 0.000 0.209 234 G HA3 -0.223 3.744 3.960 0.012 0.000 0.209 234 G C 0.444 175.234 174.900 -0.184 0.000 1.015 234 G CA -0.122 44.904 45.100 -0.123 0.000 0.635 234 G HN 0.649 nan 8.290 nan 0.000 0.499 235 F N 2.533 122.415 119.950 -0.113 0.000 2.539 235 F HA 0.439 4.973 4.527 0.012 0.000 0.340 235 F C 1.338 177.124 175.800 -0.024 0.000 1.185 235 F CA 1.604 59.570 58.000 -0.056 0.000 1.333 235 F CB 0.890 39.844 39.000 -0.076 0.000 1.152 235 F HN 0.299 nan 8.300 nan 0.000 0.602 236 D N -0.614 119.872 120.400 0.143 0.000 2.817 236 D HA 0.256 4.903 4.640 0.012 0.000 0.316 236 D C -0.187 176.193 176.300 0.134 0.000 1.565 236 D CA 0.113 54.181 54.000 0.113 0.000 0.901 236 D CB -0.580 40.245 40.800 0.042 0.000 1.520 236 D HN 0.694 nan 8.370 nan 0.000 0.404 237 G N -0.601 108.339 108.800 0.233 0.000 2.550 237 G HA2 0.470 4.437 3.960 0.012 0.000 0.293 237 G HA3 0.470 4.437 3.960 0.012 0.000 0.293 237 G C -1.024 174.070 174.900 0.323 0.000 1.402 237 G CA -0.389 44.837 45.100 0.210 0.000 0.784 237 G HN 0.087 nan 8.290 nan 0.000 0.482 238 L N -1.892 119.407 121.223 0.127 0.000 2.753 238 L HA 0.696 5.043 4.340 0.012 0.000 0.238 238 L C -0.209 176.730 176.870 0.115 0.000 1.028 238 L CA 0.755 55.638 54.840 0.071 0.000 0.966 238 L CB 0.625 42.659 42.059 -0.042 0.000 1.681 238 L HN 0.552 nan 8.230 nan 0.000 0.511 239 K N -0.121 120.350 120.400 0.119 0.000 2.578 239 K HA 0.428 4.755 4.320 0.012 0.000 0.263 239 K C -0.768 176.013 176.600 0.301 0.000 0.973 239 K CA 0.280 56.679 56.287 0.186 0.000 0.909 239 K CB 0.757 33.318 32.500 0.102 0.000 1.326 239 K HN 0.182 nan 8.250 nan 0.000 0.440 240 T N -0.152 114.630 114.554 0.379 0.000 2.847 240 T HA 0.844 5.201 4.350 0.012 0.000 0.279 240 T C 0.389 175.204 174.700 0.190 0.000 0.984 240 T CA -0.367 61.956 62.100 0.372 0.000 0.988 240 T CB 1.538 70.575 68.868 0.283 0.000 1.040 240 T HN 0.673 nan 8.240 nan 0.000 0.528 241 G N 0.042 108.931 108.800 0.150 0.000 2.761 241 G HA2 0.542 4.509 3.960 0.012 0.000 0.296 241 G HA3 0.542 4.509 3.960 0.012 0.000 0.296 241 G C -1.200 173.745 174.900 0.075 0.000 1.416 241 G CA -0.778 44.380 45.100 0.097 0.000 1.105 241 G HN 0.843 nan 8.290 nan 0.000 0.565 242 T N 0.542 115.132 114.554 0.060 0.000 2.971 242 T HA 0.778 5.135 4.350 0.012 0.000 0.304 242 T C -0.662 174.062 174.700 0.040 0.000 1.038 242 T CA -0.600 61.529 62.100 0.048 0.000 1.007 242 T CB 2.123 71.020 68.868 0.047 0.000 1.055 242 T HN 0.798 nan 8.240 nan 0.000 0.451 243 T N 0.631 115.206 114.554 0.035 0.000 2.840 243 T HA 0.281 4.638 4.350 0.012 0.000 0.317 243 T C -0.003 174.710 174.700 0.021 0.000 1.401 243 T CA -0.588 61.528 62.100 0.028 0.000 1.028 243 T CB 1.621 70.507 68.868 0.031 0.000 1.317 243 T HN 0.432 nan 8.240 nan 0.000 0.495 244 D N 1.646 122.053 120.400 0.013 0.000 2.123 244 D HA -0.065 4.582 4.640 0.012 0.000 0.196 244 D C 1.588 177.894 176.300 0.011 0.000 0.992 244 D CA 1.449 55.451 54.000 0.004 0.000 0.833 244 D CB 0.303 41.102 40.800 -0.002 0.000 0.954 244 D HN 0.532 nan 8.370 nan 0.000 0.455 245 K N 0.265 120.675 120.400 0.017 0.000 2.243 245 K HA 0.121 4.448 4.320 0.012 0.000 0.201 245 K C 1.957 178.577 176.600 0.034 0.000 1.051 245 K CA 0.662 56.962 56.287 0.023 0.000 0.970 245 K CB 0.258 32.770 32.500 0.020 0.000 0.755 245 K HN -0.016 nan 8.250 nan 0.000 0.465 246 A N 1.246 124.088 122.820 0.036 0.000 2.030 246 A HA 0.270 4.597 4.320 0.012 0.000 0.215 246 A C 1.079 178.696 177.584 0.057 0.000 1.164 246 A CA 0.862 52.927 52.037 0.047 0.000 0.697 246 A CB -0.444 18.583 19.000 0.045 0.000 0.827 246 A HN 0.350 nan 8.150 nan 0.000 0.457 247 G N -0.466 108.362 108.800 0.046 0.000 2.750 247 G HA2 -0.205 3.762 3.960 0.012 0.000 0.228 247 G HA3 -0.205 3.762 3.960 0.012 0.000 0.228 247 G C -0.521 174.408 174.900 0.049 0.000 1.367 247 G CA -0.132 44.996 45.100 0.047 0.000 0.871 247 G HN 0.501 nan 8.290 nan 0.000 0.560 248 E N 0.727 120.955 120.200 0.046 0.000 2.029 248 E HA 0.458 4.815 4.350 0.012 0.000 0.276 248 E C -0.007 176.605 176.600 0.022 0.000 1.163 248 E CA 0.287 56.700 56.400 0.021 0.000 0.909 248 E CB 0.525 30.225 29.700 -0.000 0.000 1.046 248 E HN 0.496 nan 8.360 nan 0.000 0.406 249 S N 2.570 118.298 115.700 0.046 0.000 2.566 249 S HA 0.694 5.171 4.470 0.012 0.000 0.298 249 S C -1.113 173.593 174.600 0.176 0.000 1.083 249 S CA -0.745 57.510 58.200 0.091 0.000 0.978 249 S CB 1.185 64.439 63.200 0.089 0.000 1.073 249 S HN 0.433 nan 8.310 nan 0.000 0.491 250 F N 1.541 121.488 119.950 -0.006 0.000 2.622 250 F HA 0.508 5.041 4.527 0.010 0.000 0.318 250 F C -1.854 173.999 175.800 0.089 0.000 1.135 250 F CA -0.705 57.316 58.000 0.035 0.000 1.015 250 F CB 0.806 39.794 39.000 -0.020 0.000 1.275 250 F HN 0.336 nan 8.300 nan 0.000 0.457 251 V N 5.280 124.821 119.914 -0.621 0.000 2.370 251 V HA 0.806 4.933 4.120 0.012 0.000 0.279 251 V C 0.298 175.728 176.094 -1.106 0.000 1.029 251 V CA -0.150 61.806 62.300 -0.574 0.000 0.870 251 V CB 1.033 32.713 31.823 -0.238 0.000 0.984 251 V HN 1.017 nan 8.190 nan 0.000 0.451 252 G N 2.132 110.463 108.800 -0.782 0.000 2.542 252 G HA2 0.624 4.591 3.960 0.012 0.000 0.311 252 G HA3 0.624 4.591 3.960 0.012 0.000 0.311 252 G C -0.860 174.063 174.900 0.038 0.000 1.298 252 G CA -0.493 44.419 45.100 -0.314 0.000 0.973 252 G HN 0.603 nan 8.290 nan 0.000 0.487 253 T N -0.729 113.857 114.554 0.055 0.000 2.887 253 T HA 0.788 5.145 4.350 0.012 0.000 0.288 253 T C -0.638 173.826 174.700 -0.394 0.000 1.021 253 T CA -0.349 61.676 62.100 -0.126 0.000 1.000 253 T CB 2.041 70.855 68.868 -0.090 0.000 1.034 253 T HN 0.809 nan 8.240 nan 0.000 0.467 254 T N 1.802 116.067 114.554 -0.482 0.000 2.786 254 T HA 0.553 4.910 4.350 0.012 0.000 0.316 254 T C -1.855 172.631 174.700 -0.357 0.000 1.503 254 T CA -0.438 61.275 62.100 -0.645 0.000 1.019 254 T CB 1.334 69.424 68.868 -1.297 0.000 1.415 254 T HN 0.456 nan 8.240 nan 0.000 0.496 255 V N 3.269 123.013 119.914 -0.283 0.000 2.304 255 V HA 0.536 4.663 4.120 0.012 0.000 0.278 255 V C -0.110 175.886 176.094 -0.163 0.000 1.018 255 V CA -0.515 61.674 62.300 -0.184 0.000 0.814 255 V CB 1.017 32.759 31.823 -0.135 0.000 1.021 255 V HN 0.828 nan 8.190 nan 0.000 0.440 256 E N 3.448 123.560 120.200 -0.146 0.000 2.176 256 E HA 0.491 4.848 4.350 0.012 0.000 0.267 256 E C -0.394 176.155 176.600 -0.085 0.000 0.893 256 E CA -0.738 55.598 56.400 -0.106 0.000 0.761 256 E CB 1.020 30.663 29.700 -0.094 0.000 1.133 256 E HN 0.553 nan 8.360 nan 0.000 0.409 257 K N 2.207 122.564 120.400 -0.071 0.000 3.096 257 K HA -0.249 4.078 4.320 0.012 0.000 0.266 257 K C 0.146 176.687 176.600 -0.097 0.000 1.043 257 K CA 0.465 56.712 56.287 -0.067 0.000 0.758 257 K CB -1.761 30.710 32.500 -0.050 0.000 1.260 257 K HN 1.044 nan 8.250 nan 0.000 0.481 261 V N 5.977 125.810 119.914 -0.135 0.000 2.604 261 V HA 0.566 4.693 4.120 0.012 0.000 0.305 261 V C 0.045 176.076 176.094 -0.105 0.000 1.043 261 V CA -0.682 61.554 62.300 -0.108 0.000 0.888 261 V CB 1.964 33.735 31.823 -0.085 0.000 0.995 261 V HN 0.623 nan 8.190 nan 0.000 0.429 262 I N 3.185 123.707 120.570 -0.079 0.000 2.354 262 I HA 0.430 4.607 4.170 0.012 0.000 0.292 262 I C 0.071 176.170 176.117 -0.030 0.000 0.989 262 I CA -0.051 61.206 61.300 -0.072 0.000 1.188 262 I CB 1.920 39.865 38.000 -0.092 0.000 1.342 262 I HN 0.524 nan 8.210 nan 0.000 0.457 263 T N 5.818 120.364 114.554 -0.013 0.000 2.807 263 T HA 0.515 4.872 4.350 0.012 0.000 0.279 263 T C -0.507 174.182 174.700 -0.018 0.000 0.993 263 T CA -0.389 61.734 62.100 0.039 0.000 0.970 263 T CB 1.796 70.747 68.868 0.138 0.000 0.950 263 T HN 0.208 nan 8.240 nan 0.000 0.441 264 V N 4.301 124.237 119.914 0.037 0.000 2.380 264 V HA 0.426 4.553 4.120 0.012 0.000 0.286 264 V C -0.453 175.698 176.094 0.095 0.000 1.015 264 V CA -0.751 61.564 62.300 0.025 0.000 0.834 264 V CB 1.711 33.548 31.823 0.022 0.000 1.009 264 V HN 0.659 nan 8.190 nan 0.000 0.428 265 V N 7.385 127.359 119.914 0.100 0.000 2.313 265 V HA 0.447 4.574 4.120 0.012 0.000 0.278 265 V C -0.157 176.010 176.094 0.121 0.000 1.017 265 V CA -0.210 62.171 62.300 0.135 0.000 0.823 265 V CB 1.393 33.311 31.823 0.157 0.000 1.010 265 V HN 0.795 nan 8.190 nan 0.000 0.443 266 L N 3.181 124.485 121.223 0.135 0.000 2.913 266 L HA 0.613 4.960 4.340 0.012 0.000 0.283 266 L C -0.065 176.904 176.870 0.165 0.000 1.336 266 L CA 0.017 54.935 54.840 0.129 0.000 0.815 266 L CB -0.079 42.046 42.059 0.109 0.000 1.188 266 L HN 0.574 nan 8.230 nan 0.000 0.551 267 N N 0.983 119.756 118.700 0.122 0.000 3.354 267 N HA 0.466 5.213 4.740 0.012 0.000 0.196 267 N C -0.620 174.919 175.510 0.049 0.000 1.486 267 N CA -0.142 52.963 53.050 0.091 0.000 0.768 267 N CB 0.820 39.379 38.487 0.120 0.000 1.625 267 N HN 0.435 nan 8.380 nan 0.000 0.636 268 A N 1.666 124.510 122.820 0.040 0.000 2.425 268 A HA 0.248 4.575 4.320 0.012 0.000 0.249 268 A C -0.126 177.470 177.584 0.021 0.000 1.084 268 A CA 0.029 52.077 52.037 0.019 0.000 0.781 268 A CB 0.279 19.276 19.000 -0.006 0.000 1.019 268 A HN 0.566 nan 8.150 nan 0.000 0.490 269 D N 0.773 121.176 120.400 0.006 0.000 2.414 269 D HA 0.187 4.834 4.640 0.012 0.000 0.242 269 D C 0.145 176.462 176.300 0.030 0.000 1.129 269 D CA 0.680 54.692 54.000 0.021 0.000 0.885 269 D CB 0.456 41.256 40.800 -0.002 0.000 1.198 269 D HN 0.687 nan 8.370 nan 0.000 0.437 270 H N 1.915 120.970 119.070 -0.024 0.000 2.742 270 H HA 0.106 4.670 4.556 0.014 0.000 0.302 270 H C -0.554 174.755 175.328 -0.030 0.000 1.069 270 H CA -0.133 55.898 56.048 -0.028 0.000 1.446 270 H CB 0.428 30.175 29.762 -0.024 0.000 1.462 270 H HN -0.012 nan 8.280 nan 0.000 0.499 271 Q N 4.175 123.650 119.800 -0.541 0.000 2.293 271 Q HA 0.075 4.422 4.340 0.012 0.000 0.261 271 Q C 0.202 175.873 176.000 -0.548 0.000 0.960 271 Q CA -0.431 55.141 55.803 -0.385 0.000 0.882 271 Q CB 1.862 30.472 28.738 -0.215 0.000 1.275 271 Q HN 0.899 nan 8.270 nan 0.000 0.445 272 D N 2.306 122.536 120.400 -0.283 0.000 2.149 272 D HA -0.166 4.481 4.640 0.012 0.000 0.201 272 D C 0.985 177.199 176.300 -0.144 0.000 0.972 272 D CA 1.413 55.320 54.000 -0.155 0.000 0.835 272 D CB 0.372 41.164 40.800 -0.015 0.000 0.966 272 D HN 0.584 nan 8.370 nan 0.000 0.476 273 N N -0.805 117.815 118.700 -0.133 0.000 2.322 273 N HA -0.019 4.728 4.740 0.012 0.000 0.194 273 N C -0.611 174.809 175.510 -0.151 0.000 1.126 273 N CA -0.067 52.914 53.050 -0.115 0.000 0.845 273 N CB 0.054 38.496 38.487 -0.075 0.000 0.976 273 N HN -0.049 nan 8.380 nan 0.000 0.475 274 N N -0.128 118.451 118.700 -0.201 0.000 2.640 274 N HA 0.363 5.110 4.740 0.012 0.000 0.262 274 N C -2.437 172.899 175.510 -0.290 0.000 1.174 274 N CA -1.766 51.153 53.050 -0.218 0.000 0.791 274 N CB 1.695 40.111 38.487 -0.118 0.000 1.279 274 N HN -0.175 nan 8.380 nan 0.000 0.535 275 P HA -0.003 nan 4.420 nan 0.000 0.226 275 P C -0.139 177.018 177.300 -0.239 0.000 1.153 275 P CA 1.009 63.878 63.100 -0.386 0.000 0.777 275 P CB 0.047 31.428 31.700 -0.531 0.000 0.794 276 Y N -1.540 118.756 120.300 -0.007 0.000 2.583 276 Y HA 0.463 5.020 4.550 0.011 0.000 0.294 276 Y C 2.002 177.880 175.900 -0.036 0.000 1.170 276 Y CA -1.038 57.106 58.100 0.073 0.000 1.265 276 Y CB -1.436 37.140 38.460 0.193 0.000 1.119 276 Y HN -0.095 nan 8.280 nan 0.000 0.522 277 A N 1.442 124.253 122.820 -0.014 0.000 1.917 277 A HA -0.297 4.031 4.320 0.012 0.000 0.219 277 A C 2.508 180.047 177.584 -0.075 0.000 1.182 277 A CA 2.222 54.230 52.037 -0.047 0.000 0.633 277 A CB -0.520 18.420 19.000 -0.101 0.000 0.819 277 A HN 0.617 nan 8.150 nan 0.000 0.448 278 R N -1.794 118.579 120.500 -0.212 0.000 2.105 278 R HA -0.131 4.216 4.340 0.012 0.000 0.239 278 R C 1.607 177.744 176.300 -0.272 0.000 1.135 278 R CA 1.990 57.919 56.100 -0.285 0.000 0.967 278 R CB -0.687 29.320 30.300 -0.488 0.000 0.861 278 R HN 0.423 nan 8.270 nan 0.000 0.442 279 F N 1.655 121.586 119.950 -0.030 0.000 2.270 279 F HA 0.109 4.643 4.527 0.013 0.000 0.295 279 F C 2.506 178.277 175.800 -0.049 0.000 1.087 279 F CA 1.108 59.030 58.000 -0.131 0.000 1.365 279 F CB -0.853 37.999 39.000 -0.247 0.000 1.056 279 F HN -0.061 nan 8.300 nan 0.000 0.506 280 T N 0.301 114.947 114.554 0.153 0.000 2.720 280 T HA -0.206 4.151 4.350 0.012 0.000 0.268 280 T C 2.339 177.097 174.700 0.096 0.000 1.037 280 T CA 1.496 63.661 62.100 0.109 0.000 1.144 280 T CB -0.699 68.222 68.868 0.088 0.000 0.864 280 T HN 0.273 nan 8.240 nan 0.000 0.444 281 A N 1.220 124.090 122.820 0.083 0.000 1.933 281 A HA -0.118 4.209 4.320 0.012 0.000 0.218 281 A C 2.565 180.236 177.584 0.145 0.000 1.175 281 A CA 2.026 54.124 52.037 0.102 0.000 0.628 281 A CB -1.178 17.864 19.000 0.070 0.000 0.814 281 A HN 0.475 nan 8.150 nan 0.000 0.444 282 T N -0.788 113.864 114.554 0.163 0.000 2.737 282 T HA -0.112 4.245 4.350 0.012 0.000 0.265 282 T C 2.271 177.079 174.700 0.180 0.000 1.038 282 T CA 1.632 63.862 62.100 0.217 0.000 1.144 282 T CB -0.343 68.717 68.868 0.319 0.000 0.866 282 T HN 0.501 nan 8.240 nan 0.000 0.434 283 S N 0.679 116.454 115.700 0.124 0.000 2.400 283 S HA -0.143 4.334 4.470 0.012 0.000 0.232 283 S C 2.332 176.981 174.600 0.082 0.000 1.025 283 S CA 1.686 59.946 58.200 0.100 0.000 0.993 283 S CB -0.549 62.685 63.200 0.056 0.000 0.808 283 S HN 0.450 nan 8.310 nan 0.000 0.478 284 S N 0.180 115.934 115.700 0.090 0.000 2.368 284 S HA 0.002 4.479 4.470 0.012 0.000 0.224 284 S C 0.916 175.481 174.600 -0.059 0.000 1.029 284 S CA 0.573 58.817 58.200 0.072 0.000 0.988 284 S CB -0.585 62.723 63.200 0.181 0.000 0.838 284 S HN 0.464 nan 8.310 nan 0.000 0.462 288 Y N 2.894 122.967 120.300 -0.380 0.000 2.109 288 Y HA -0.007 4.550 4.550 0.012 0.000 0.285 288 Y C 2.257 178.036 175.900 -0.201 0.000 1.131 288 Y CA 1.766 59.601 58.100 -0.442 0.000 1.121 288 Y CB -0.556 37.322 38.460 -0.970 0.000 0.987 288 Y HN -0.083 nan 8.280 nan 0.000 0.495 289 I N -0.413 120.017 120.570 -0.233 0.000 2.208 289 I HA -0.357 3.820 4.170 0.012 0.000 0.245 289 I C 2.351 178.425 176.117 -0.071 0.000 1.097 289 I CA 1.824 63.059 61.300 -0.108 0.000 1.363 289 I CB -0.542 37.502 38.000 0.073 0.000 1.051 289 I HN 0.174 nan 8.210 nan 0.000 0.413 290 S N 0.023 115.673 115.700 -0.083 0.000 2.428 290 S HA -0.095 4.382 4.470 0.012 0.000 0.230 290 S C 2.031 176.573 174.600 -0.098 0.000 1.014 290 S CA 1.328 59.492 58.200 -0.060 0.000 0.957 290 S CB -0.128 63.046 63.200 -0.044 0.000 0.784 290 S HN 0.616 nan 8.310 nan 0.000 0.499 291 S N 0.290 115.895 115.700 -0.159 0.000 2.503 291 S HA 0.070 4.547 4.470 0.012 0.000 0.217 291 S C 1.451 175.902 174.600 -0.248 0.000 0.999 291 S CA 0.460 58.565 58.200 -0.158 0.000 0.914 291 S CB -0.231 62.894 63.200 -0.125 0.000 0.782 291 S HN 0.358 nan 8.310 nan 0.000 0.520 292 T N 0.826 115.126 114.554 -0.423 0.000 3.039 292 T HA 0.420 4.777 4.350 0.012 0.000 0.250 292 T C -0.323 173.907 174.700 -0.783 0.000 1.052 292 T CA 0.340 62.023 62.100 -0.696 0.000 1.125 292 T CB -0.095 68.043 68.868 -1.216 0.000 0.908 292 T HN 0.368 nan 8.240 nan 0.000 0.473 293 F N 0.511 120.359 119.950 -0.171 0.000 2.577 293 F HA 0.687 5.221 4.527 0.012 0.000 0.318 293 F C 0.241 175.997 175.800 -0.074 0.000 1.065 293 F CA -1.028 56.914 58.000 -0.097 0.000 0.929 293 F CB 2.176 41.124 39.000 -0.086 0.000 1.237 293 F HN -0.249 nan 8.300 nan 0.000 0.468 294 T N 1.407 116.063 114.554 0.171 0.000 2.816 294 T HA 0.636 4.993 4.350 0.012 0.000 0.299 294 T C -1.899 172.848 174.700 0.078 0.000 1.230 294 T CA -0.649 61.499 62.100 0.080 0.000 1.007 294 T CB 1.086 69.978 68.868 0.041 0.000 1.289 294 T HN 0.525 nan 8.240 nan 0.000 0.508 295 L N 3.212 124.469 121.223 0.055 0.000 2.277 295 L HA 0.560 4.907 4.340 0.012 0.000 0.284 295 L C 0.445 177.426 176.870 0.185 0.000 1.028 295 L CA -0.730 54.167 54.840 0.094 0.000 0.835 295 L CB 1.021 43.085 42.059 0.007 0.000 1.215 295 L HN 0.502 nan 8.230 nan 0.000 0.425 296 R N 3.523 124.095 120.500 0.120 0.000 2.265 296 R HA 0.247 4.594 4.340 0.012 0.000 0.319 296 R C -0.249 176.031 176.300 -0.033 0.000 1.006 296 R CA -0.673 55.464 56.100 0.062 0.000 0.880 296 R CB 1.109 31.409 30.300 -0.001 0.000 1.077 296 R HN 0.397 nan 8.270 nan 0.000 0.454 297 K N 5.291 125.577 120.400 -0.189 0.000 2.349 297 K HA 0.082 4.409 4.320 0.012 0.000 0.288 297 K C 1.077 177.464 176.600 -0.355 0.000 1.058 297 K CA -0.109 55.785 56.287 -0.654 0.000 0.953 297 K CB 0.560 32.543 32.500 -0.861 0.000 0.997 297 K HN 0.719 nan 8.250 nan 0.000 0.477 298 I N 0.959 121.328 120.570 -0.336 0.000 3.172 298 I HA 0.147 4.324 4.170 0.012 0.000 0.278 298 I C -0.307 175.749 176.117 -0.102 0.000 1.174 298 I CA -0.326 60.877 61.300 -0.161 0.000 1.445 298 I CB 0.677 38.611 38.000 -0.109 0.000 1.175 298 I HN 0.086 nan 8.210 nan 0.000 0.447 299 V N 1.584 121.388 119.914 -0.184 0.000 2.709 299 V HA 0.401 4.528 4.120 0.012 0.000 0.308 299 V C -0.751 175.238 176.094 -0.176 0.000 1.062 299 V CA -0.482 61.751 62.300 -0.113 0.000 0.901 299 V CB 1.772 33.561 31.823 -0.056 0.000 1.003 299 V HN 0.245 nan 8.190 nan 0.000 0.425 300 Q N 1.824 121.551 119.800 -0.122 0.000 2.230 300 Q HA 0.384 4.731 4.340 0.012 0.000 0.253 300 Q C -0.086 175.870 176.000 -0.074 0.000 0.919 300 Q CA -0.288 55.449 55.803 -0.110 0.000 0.908 300 Q CB 1.456 30.143 28.738 -0.085 0.000 1.245 300 Q HN 0.760 nan 8.270 nan 0.000 0.437 301 Q N 1.578 121.343 119.800 -0.059 0.000 2.315 301 Q HA 0.129 4.476 4.340 0.012 0.000 0.289 301 Q C 0.428 176.411 176.000 -0.030 0.000 1.044 301 Q CA 1.297 57.078 55.803 -0.036 0.000 0.920 301 Q CB 0.037 28.763 28.738 -0.020 0.000 1.214 301 Q HN 0.921 nan 8.270 nan 0.000 0.392 302 G N 3.371 112.157 108.800 -0.024 0.000 2.268 302 G HA2 -0.221 3.746 3.960 0.012 0.000 0.240 302 G HA3 -0.221 3.746 3.960 0.012 0.000 0.240 302 G C -0.208 174.679 174.900 -0.022 0.000 1.010 302 G CA 0.239 45.327 45.100 -0.020 0.000 0.618 302 G HN 0.699 nan 8.290 nan 0.000 0.516 303 D N 0.495 120.879 120.400 -0.028 0.000 2.506 303 D HA 0.739 5.386 4.640 0.012 0.000 0.272 303 D C 0.552 176.843 176.300 -0.015 0.000 1.214 303 D CA 0.687 54.671 54.000 -0.027 0.000 1.067 303 D CB 1.135 41.911 40.800 -0.039 0.000 1.117 303 D HN 0.924 nan 8.370 nan 0.000 0.578 304 A N 0.042 122.854 122.820 -0.013 0.000 2.356 304 A HA 0.350 4.677 4.320 0.012 0.000 0.310 304 A C -1.576 176.023 177.584 0.024 0.000 1.075 304 A CA -0.620 51.422 52.037 0.009 0.000 0.746 304 A CB 0.715 19.713 19.000 -0.003 0.000 1.221 304 A HN 0.492 nan 8.150 nan 0.000 0.443 305 Y N 2.581 122.837 120.300 -0.073 0.000 2.714 305 Y HA 0.442 4.999 4.550 0.012 0.000 0.333 305 Y C 0.044 175.888 175.900 -0.094 0.000 1.220 305 Y CA 0.189 58.236 58.100 -0.089 0.000 1.513 305 Y CB -0.546 37.853 38.460 -0.102 0.000 1.435 305 Y HN 0.824 nan 8.280 nan 0.000 0.489 306 Q N 3.640 123.342 119.800 -0.163 0.000 2.134 306 Q HA -0.147 4.200 4.340 0.012 0.000 0.292 306 Q C -1.049 174.926 176.000 -0.042 0.000 0.967 306 Q CA 0.494 56.212 55.803 -0.140 0.000 0.605 306 Q CB -0.614 28.018 28.738 -0.176 0.000 0.756 306 Q HN 0.822 nan 8.270 nan 0.000 0.322 307 D N 1.167 121.536 120.400 -0.052 0.000 8.055 307 D HA -0.091 4.556 4.640 0.012 0.000 0.185 307 D C -0.002 176.297 176.300 -0.003 0.000 1.453 307 D CA 1.608 55.592 54.000 -0.026 0.000 0.911 307 D CB -0.442 40.342 40.800 -0.027 0.000 1.701 307 D HN 0.440 nan 8.370 nan 0.000 0.977 308 S N 1.074 116.779 115.700 0.008 0.000 2.566 308 S HA 0.514 4.991 4.470 0.012 0.000 0.324 308 S C -0.161 174.454 174.600 0.026 0.000 1.081 308 S CA -1.114 57.102 58.200 0.027 0.000 1.105 308 S CB 1.692 64.920 63.200 0.047 0.000 0.981 308 S HN 0.338 nan 8.310 nan 0.000 0.464 309 K N 1.690 122.108 120.400 0.030 0.000 2.281 309 K HA 0.876 5.203 4.320 0.012 0.000 0.242 309 K C -1.035 175.584 176.600 0.031 0.000 0.971 309 K CA -1.302 54.999 56.287 0.024 0.000 0.834 309 K CB 2.049 34.561 32.500 0.020 0.000 1.181 309 K HN 0.589 nan 8.250 nan 0.000 0.435 310 A N 2.066 124.901 122.820 0.025 0.000 2.335 310 A HA 0.502 4.829 4.320 0.012 0.000 0.304 310 A C -2.670 174.928 177.584 0.024 0.000 1.118 310 A CA -1.886 50.168 52.037 0.030 0.000 0.757 310 A CB 0.866 19.884 19.000 0.028 0.000 1.188 310 A HN 0.452 nan 8.150 nan 0.000 0.460 311 P HA 0.167 nan 4.420 nan 0.000 0.264 311 P C -0.661 176.649 177.300 0.017 0.000 1.173 311 P CA 0.487 63.599 63.100 0.021 0.000 0.761 311 P CB 0.501 32.214 31.700 0.023 0.000 0.794 312 V N 3.323 123.245 119.914 0.014 0.000 2.888 312 V HA 0.314 4.441 4.120 0.012 0.000 0.309 312 V C 0.011 176.112 176.094 0.010 0.000 1.114 312 V CA -0.456 61.851 62.300 0.012 0.000 0.940 312 V CB 2.075 33.904 31.823 0.010 0.000 1.021 312 V HN 0.563 nan 8.190 nan 0.000 0.426 313 Q N 1.576 121.382 119.800 0.010 0.000 2.462 313 Q HA 0.520 4.867 4.340 0.012 0.000 0.395 313 Q C -1.259 174.745 176.000 0.007 0.000 0.911 313 Q CA -0.534 55.275 55.803 0.009 0.000 1.112 313 Q CB 0.641 29.385 28.738 0.009 0.000 1.350 313 Q HN 0.716 nan 8.270 nan 0.000 0.407 314 D N 0.206 120.610 120.400 0.007 0.000 3.204 314 D HA 0.197 4.845 4.640 0.012 0.000 0.220 314 D C -0.116 176.187 176.300 0.005 0.000 1.451 314 D CA 0.374 54.378 54.000 0.006 0.000 1.183 314 D CB 0.671 41.474 40.800 0.005 0.000 1.348 314 D HN 0.535 nan 8.370 nan 0.000 0.664 315 G N 0.880 109.683 108.800 0.005 0.000 2.123 315 G HA2 -0.060 3.907 3.960 0.012 0.000 0.100 315 G HA3 -0.060 3.907 3.960 0.012 0.000 0.100 315 G C -0.454 174.448 174.900 0.004 0.000 1.023 315 G CA -0.534 44.568 45.100 0.004 0.000 1.101 315 G HN 0.097 nan 8.290 nan 0.000 0.331 316 K N 0.694 121.096 120.400 0.004 0.000 2.107 316 K HA 0.581 4.908 4.320 0.012 0.000 0.251 316 K C 0.494 177.097 176.600 0.005 0.000 1.012 316 K CA 0.245 56.534 56.287 0.004 0.000 0.920 316 K CB 1.312 33.814 32.500 0.004 0.000 1.033 316 K HN 0.443 nan 8.250 nan 0.000 0.478 317 E N -0.248 119.956 120.200 0.006 0.000 2.444 317 E HA -0.025 4.332 4.350 0.012 0.000 0.209 317 E C 0.431 177.037 176.600 0.009 0.000 0.806 317 E CA -0.001 56.404 56.400 0.007 0.000 1.240 317 E CB 0.393 30.097 29.700 0.007 0.000 1.238 317 E HN 0.487 nan 8.360 nan 0.000 0.591 318 D N 1.071 121.475 120.400 0.008 0.000 2.106 318 D HA -0.099 4.548 4.640 0.012 0.000 0.194 318 D C 1.093 177.400 176.300 0.011 0.000 0.988 318 D CA 1.747 55.753 54.000 0.009 0.000 0.845 318 D CB -0.409 40.395 40.800 0.007 0.000 0.990 318 D HN 0.229 nan 8.370 nan 0.000 0.448 319 T N -0.459 114.100 114.554 0.009 0.000 2.824 319 T HA 0.530 4.887 4.350 0.012 0.000 0.282 319 T C -0.538 174.166 174.700 0.008 0.000 0.993 319 T CA -0.912 61.194 62.100 0.009 0.000 0.967 319 T CB 1.613 70.485 68.868 0.007 0.000 0.960 319 T HN -0.118 nan 8.240 nan 0.000 0.441 320 V N 4.563 124.483 119.914 0.008 0.000 2.398 320 V HA 0.490 4.617 4.120 0.012 0.000 0.286 320 V C 0.509 176.606 176.094 0.005 0.000 1.026 320 V CA -1.234 61.069 62.300 0.005 0.000 0.868 320 V CB 0.987 32.812 31.823 0.004 0.000 0.982 320 V HN 0.842 nan 8.190 nan 0.000 0.443 321 I N 4.029 124.600 120.570 0.002 0.000 2.517 321 I HA 0.352 4.529 4.170 0.012 0.000 0.285 321 I C 0.781 176.897 176.117 -0.001 0.000 1.106 321 I CA 0.474 61.775 61.300 0.001 0.000 1.402 321 I CB 1.070 39.068 38.000 -0.003 0.000 1.399 321 I HN 0.835 nan 8.210 nan 0.000 0.535 322 A N 7.481 130.302 122.820 0.002 0.000 2.276 322 A HA 0.677 5.004 4.320 0.012 0.000 0.316 322 A C -0.371 177.213 177.584 -0.001 0.000 1.229 322 A CA -0.408 51.627 52.037 -0.003 0.000 0.851 322 A CB 1.127 20.127 19.000 -0.002 0.000 1.165 322 A HN 0.491 nan 8.150 nan 0.000 0.513 323 V N 1.305 121.214 119.914 -0.009 0.000 3.001 323 V HA 0.710 4.838 4.120 0.012 0.000 0.314 323 V C 0.555 176.640 176.094 -0.015 0.000 1.099 323 V CA -0.474 61.821 62.300 -0.009 0.000 0.989 323 V CB 2.056 33.873 31.823 -0.011 0.000 1.040 323 V HN 1.194 nan 8.190 nan 0.000 0.434 324 A N 4.454 127.264 122.820 -0.017 0.000 2.362 324 A HA 0.697 5.024 4.320 0.012 0.000 0.276 324 A C -2.212 175.360 177.584 -0.019 0.000 1.153 324 A CA -1.107 50.916 52.037 -0.023 0.000 0.813 324 A CB 0.334 19.310 19.000 -0.041 0.000 1.081 324 A HN 0.626 nan 8.150 nan 0.000 0.507 325 P HA 0.375 nan 4.420 nan 0.000 0.287 325 P C -0.688 176.612 177.300 0.001 0.000 1.835 325 P CA 0.157 63.253 63.100 -0.007 0.000 1.281 325 P CB 0.399 32.096 31.700 -0.005 0.000 1.750 326 E N -0.768 119.431 120.200 -0.001 0.000 2.422 326 E HA 0.248 4.605 4.350 0.012 0.000 0.280 326 E C -1.423 175.173 176.600 -0.006 0.000 1.091 326 E CA -0.804 55.602 56.400 0.010 0.000 0.849 326 E CB 0.665 30.382 29.700 0.028 0.000 1.353 326 E HN -0.114 nan 8.360 nan 0.000 0.449 327 D N 1.219 121.631 120.400 0.021 0.000 2.304 327 D HA 0.321 4.968 4.640 0.012 0.000 0.250 327 D C -0.528 175.740 176.300 -0.053 0.000 1.107 327 D CA 0.173 54.159 54.000 -0.023 0.000 0.885 327 D CB 0.659 41.511 40.800 0.087 0.000 1.192 327 D HN 0.234 nan 8.370 nan 0.000 0.436 328 I N 3.042 123.460 120.570 -0.253 0.000 2.336 328 I HA 0.233 4.410 4.170 0.012 0.000 0.292 328 I C -0.570 175.246 176.117 -0.500 0.000 0.991 328 I CA -0.669 60.399 61.300 -0.386 0.000 1.227 328 I CB 0.629 38.317 38.000 -0.520 0.000 1.366 328 I HN 0.199 nan 8.210 nan 0.000 0.466 329 Y N 5.864 125.940 120.300 -0.375 0.000 2.562 329 Y HA 0.720 5.277 4.550 0.012 0.000 0.343 329 Y C -0.256 175.471 175.900 -0.289 0.000 1.025 329 Y CA -0.814 57.130 58.100 -0.260 0.000 1.082 329 Y CB 1.872 40.245 38.460 -0.145 0.000 1.264 329 Y HN 0.274 nan 8.280 nan 0.000 0.478 330 L N 2.531 123.720 121.223 -0.055 0.000 2.393 330 L HA 0.557 4.904 4.340 0.012 0.000 0.260 330 L C -0.944 175.905 176.870 -0.035 0.000 1.002 330 L CA -0.986 53.782 54.840 -0.120 0.000 0.818 330 L CB 2.448 44.259 42.059 -0.414 0.000 1.369 330 L HN 0.466 nan 8.230 nan 0.000 0.412 331 I N 1.605 122.187 120.570 0.020 0.000 2.529 331 I HA 0.213 4.390 4.170 0.012 0.000 0.284 331 I C 0.026 176.208 176.117 0.109 0.000 1.082 331 I CA 0.226 61.565 61.300 0.065 0.000 1.406 331 I CB 0.963 38.980 38.000 0.029 0.000 1.405 331 I HN 0.630 nan 8.210 nan 0.000 0.548 332 E N 6.552 126.849 120.200 0.162 0.000 2.290 332 E HA 0.322 4.679 4.350 0.012 0.000 0.274 332 E C -0.799 175.952 176.600 0.251 0.000 0.889 332 E CA -0.879 55.632 56.400 0.185 0.000 0.760 332 E CB 1.719 31.469 29.700 0.083 0.000 1.206 332 E HN 0.486 nan 8.360 nan 0.000 0.419 333 R N 1.573 122.230 120.500 0.261 0.000 2.698 333 R HA 0.097 4.444 4.340 0.012 0.000 0.266 333 R C -0.075 176.223 176.300 -0.003 0.000 1.026 333 R CA 0.087 56.218 56.100 0.052 0.000 1.102 333 R CB 0.735 31.053 30.300 0.030 0.000 0.978 333 R HN 0.373 nan 8.270 nan 0.000 0.436 334 V N 1.595 121.458 119.914 -0.085 0.000 2.383 334 V HA 0.653 4.780 4.120 0.012 0.000 0.275 334 V C 0.698 176.765 176.094 -0.046 0.000 1.036 334 V CA 0.615 62.885 62.300 -0.051 0.000 0.889 334 V CB 0.898 32.679 31.823 -0.069 0.000 0.985 334 V HN 1.012 nan 8.190 nan 0.000 0.459 335 G N 3.980 112.770 108.800 -0.017 0.000 2.229 335 G HA2 -0.198 3.769 3.960 0.012 0.000 0.189 335 G HA3 -0.198 3.769 3.960 0.012 0.000 0.189 335 G C -0.003 174.899 174.900 0.004 0.000 1.000 335 G CA -0.092 45.001 45.100 -0.012 0.000 0.663 335 G HN 0.791 nan 8.290 nan 0.000 0.493 336 N N 1.707 120.417 118.700 0.015 0.000 2.472 336 N HA 0.369 5.116 4.740 0.012 0.000 0.277 336 N C 0.839 176.370 175.510 0.035 0.000 1.081 336 N CA -0.143 52.926 53.050 0.031 0.000 0.973 336 N CB 0.801 39.320 38.487 0.053 0.000 1.105 336 N HN 0.559 nan 8.380 nan 0.000 0.470 337 Q N 0.194 120.015 119.800 0.035 0.000 2.858 337 Q HA -0.043 4.304 4.340 0.012 0.000 0.253 337 Q C 0.253 176.277 176.000 0.040 0.000 1.191 337 Q CA 0.417 56.240 55.803 0.033 0.000 1.077 337 Q CB 0.210 28.969 28.738 0.035 0.000 1.356 337 Q HN 0.632 nan 8.270 nan 0.000 0.576 338 S N 0.157 115.880 115.700 0.037 0.000 2.572 338 S HA 0.210 4.687 4.470 0.012 0.000 0.279 338 S C 0.098 174.733 174.600 0.057 0.000 1.341 338 S CA -0.504 57.721 58.200 0.040 0.000 1.043 338 S CB 1.073 64.294 63.200 0.034 0.000 0.887 338 S HN 0.613 nan 8.310 nan 0.000 0.516 339 S N 1.863 117.597 115.700 0.058 0.000 2.719 339 S HA 0.383 4.860 4.470 0.012 0.000 0.285 339 S C -0.280 174.375 174.600 0.093 0.000 1.137 339 S CA -1.023 57.221 58.200 0.075 0.000 1.012 339 S CB -0.011 63.221 63.200 0.054 0.000 1.134 339 S HN 0.749 nan 8.310 nan 0.000 0.544 340 Q N 1.112 120.980 119.800 0.113 0.000 2.432 340 Q HA 0.310 4.657 4.340 0.012 0.000 0.264 340 Q C -0.059 176.054 176.000 0.188 0.000 1.035 340 Q CA 0.056 55.972 55.803 0.189 0.000 0.908 340 Q CB 0.327 29.188 28.738 0.204 0.000 1.280 340 Q HN 0.767 nan 8.270 nan 0.000 0.455 341 S N 0.098 115.945 115.700 0.245 0.000 2.790 341 S HA 0.267 4.744 4.470 0.012 0.000 0.202 341 S C -0.084 174.665 174.600 0.249 0.000 1.383 341 S CA -0.773 57.557 58.200 0.215 0.000 1.026 341 S CB 0.658 63.971 63.200 0.189 0.000 1.253 341 S HN 0.565 nan 8.310 nan 0.000 0.489 342 V N 2.290 122.315 119.914 0.185 0.000 3.319 342 V HA 0.329 4.456 4.120 0.012 0.000 0.317 342 V C 0.215 176.178 176.094 -0.219 0.000 1.411 342 V CA -0.271 62.090 62.300 0.100 0.000 1.112 342 V CB -0.466 31.387 31.823 0.049 0.000 1.031 342 V HN 0.777 nan 8.190 nan 0.000 0.448 343 Q N 1.649 121.410 119.800 -0.065 0.000 2.318 343 Q HA 0.280 4.627 4.340 0.012 0.000 0.270 343 Q C -1.201 174.532 176.000 -0.445 0.000 1.237 343 Q CA 0.921 56.587 55.803 -0.229 0.000 0.937 343 Q CB -0.181 28.543 28.738 -0.023 0.000 1.375 343 Q HN 0.541 nan 8.270 nan 0.000 0.452 344 F N 0.493 120.405 119.950 -0.064 0.000 2.925 344 F HA 0.108 4.642 4.527 0.012 0.000 0.347 344 F C -0.738 175.070 175.800 0.012 0.000 1.187 344 F CA -0.504 57.508 58.000 0.020 0.000 1.189 344 F CB 1.557 40.578 39.000 0.036 0.000 1.479 344 F HN 0.097 nan 8.300 nan 0.000 0.645 345 T N 6.860 121.292 114.554 -0.203 0.000 2.749 345 T HA 0.611 4.968 4.350 0.012 0.000 0.287 345 T C -2.542 172.333 174.700 0.291 0.000 0.970 345 T CA -1.419 60.732 62.100 0.085 0.000 0.980 345 T CB 0.959 69.851 68.868 0.041 0.000 0.924 345 T HN 0.214 nan 8.240 nan 0.000 0.456 346 P HA 0.509 nan 4.420 nan 0.000 0.285 346 P C -1.055 176.333 177.300 0.147 0.000 1.269 346 P CA -0.717 62.507 63.100 0.207 0.000 0.844 346 P CB 0.927 32.722 31.700 0.158 0.000 1.094 347 D N -0.583 119.885 120.400 0.113 0.000 2.466 347 D HA 0.388 5.035 4.640 0.012 0.000 0.262 347 D C -0.229 176.127 176.300 0.093 0.000 1.177 347 D CA -0.461 53.593 54.000 0.090 0.000 1.035 347 D CB -0.025 40.815 40.800 0.067 0.000 1.105 347 D HN 0.161 nan 8.370 nan 0.000 0.551 348 S N -0.526 115.225 115.700 0.085 0.000 2.442 348 S HA 0.368 4.845 4.470 0.012 0.000 0.297 348 S C -0.035 174.592 174.600 0.045 0.000 1.131 348 S CA -1.067 57.174 58.200 0.068 0.000 1.092 348 S CB 0.854 64.102 63.200 0.081 0.000 0.998 348 S HN 0.254 nan 8.310 nan 0.000 0.478 349 K N 1.574 121.994 120.400 0.034 0.000 2.274 349 K HA 0.339 4.666 4.320 0.012 0.000 0.255 349 K C 0.365 176.980 176.600 0.025 0.000 1.005 349 K CA -0.269 56.035 56.287 0.028 0.000 0.864 349 K CB 0.049 32.561 32.500 0.021 0.000 1.013 349 K HN 0.665 nan 8.250 nan 0.000 0.519 350 A N 1.915 124.748 122.820 0.022 0.000 2.537 350 A HA 0.129 4.456 4.320 0.012 0.000 0.260 350 A C 0.380 177.974 177.584 0.017 0.000 1.082 350 A CA -0.239 51.810 52.037 0.020 0.000 0.765 350 A CB -0.909 18.101 19.000 0.017 0.000 1.019 350 A HN 0.644 nan 8.150 nan 0.000 0.507 351 I N 1.625 122.205 120.570 0.017 0.000 2.947 351 I HA 0.764 4.941 4.170 0.012 0.000 0.314 351 I C -2.671 173.454 176.117 0.012 0.000 1.028 351 I CA -2.609 58.700 61.300 0.015 0.000 1.077 351 I CB 1.589 39.600 38.000 0.018 0.000 1.274 351 I HN 0.306 nan 8.210 nan 0.000 0.485 352 P HA 0.373 nan 4.420 nan 0.000 0.274 352 P C -0.998 176.307 177.300 0.009 0.000 1.256 352 P CA -0.311 62.794 63.100 0.009 0.000 0.795 352 P CB 0.731 32.436 31.700 0.008 0.000 1.038 353 A N 1.003 123.827 122.820 0.007 0.000 2.346 353 A HA 0.777 5.104 4.320 0.012 0.000 0.313 353 A C -2.419 175.168 177.584 0.006 0.000 1.140 353 A CA -1.709 50.332 52.037 0.006 0.000 0.826 353 A CB 0.016 19.020 19.000 0.006 0.000 1.332 353 A HN 0.465 nan 8.150 nan 0.000 0.457 354 P HA 0.381 nan 4.420 nan 0.000 0.275 354 P C -1.284 176.019 177.300 0.005 0.000 1.228 354 P CA -0.167 62.936 63.100 0.005 0.000 0.786 354 P CB 1.019 32.721 31.700 0.004 0.000 0.927 355 L N 2.788 124.013 121.223 0.005 0.000 2.298 355 L HA 0.334 4.681 4.340 0.012 0.000 0.284 355 L C 0.047 176.919 176.870 0.003 0.000 1.013 355 L CA -0.453 54.390 54.840 0.005 0.000 0.824 355 L CB 0.844 42.906 42.059 0.005 0.000 1.221 355 L HN 0.208 nan 8.230 nan 0.000 0.418 356 E N 3.351 123.553 120.200 0.003 0.000 2.366 356 E HA 0.350 4.707 4.350 0.012 0.000 0.266 356 E C -0.197 176.404 176.600 0.001 0.000 1.051 356 E CA -0.175 56.226 56.400 0.002 0.000 0.884 356 E CB 1.175 30.877 29.700 0.003 0.000 1.006 356 E HN 0.702 nan 8.360 nan 0.000 0.417 357 A N 1.268 124.088 122.820 -0.000 0.000 2.492 357 A HA 0.450 4.777 4.320 0.012 0.000 0.254 357 A C 1.216 178.799 177.584 -0.002 0.000 1.091 357 A CA 0.781 52.817 52.037 -0.002 0.000 0.768 357 A CB -0.303 18.696 19.000 -0.002 0.000 1.028 357 A HN 0.722 nan 8.150 nan 0.000 0.498 358 G N 1.666 110.463 108.800 -0.005 0.000 2.352 358 G HA2 -0.144 3.823 3.960 0.012 0.000 0.204 358 G HA3 -0.144 3.823 3.960 0.012 0.000 0.204 358 G C 0.680 175.575 174.900 -0.007 0.000 1.004 358 G CA 0.526 45.623 45.100 -0.006 0.000 0.648 358 G HN 1.986 nan 8.290 nan 0.000 0.491 359 T N 0.399 114.950 114.554 -0.005 0.000 2.940 359 T HA 0.478 4.835 4.350 0.012 0.000 0.309 359 T C 0.720 175.411 174.700 -0.015 0.000 1.056 359 T CA 0.121 62.218 62.100 -0.005 0.000 1.137 359 T CB 1.756 70.625 68.868 0.001 0.000 0.976 359 T HN 1.011 nan 8.240 nan 0.000 0.547 360 V N 3.938 123.840 119.914 -0.018 0.000 2.599 360 V HA 0.108 4.235 4.120 0.012 0.000 0.300 360 V C 1.121 177.192 176.094 -0.038 0.000 1.034 360 V CA -0.091 62.179 62.300 -0.050 0.000 1.115 360 V CB 0.833 32.630 31.823 -0.043 0.000 0.934 360 V HN 0.937 nan 8.190 nan 0.000 0.485 361 V N 2.976 122.853 119.914 -0.062 0.000 3.451 361 V HA 0.593 4.720 4.120 0.012 0.000 0.288 361 V C 0.753 176.837 176.094 -0.016 0.000 1.502 361 V CA 0.746 63.032 62.300 -0.023 0.000 1.026 361 V CB 0.155 31.971 31.823 -0.012 0.000 0.840 361 V HN 1.071 nan 8.190 nan 0.000 0.437 362 G N -1.028 107.718 108.800 -0.089 0.000 2.430 362 G HA2 0.595 4.562 3.960 0.012 0.000 0.300 362 G HA3 0.595 4.562 3.960 0.012 0.000 0.300 362 G C -2.156 172.601 174.900 -0.238 0.000 1.330 362 G CA -0.558 44.526 45.100 -0.026 0.000 0.813 362 G HN 0.206 nan 8.290 nan 0.000 0.487 363 H N -1.256 117.839 119.070 0.041 0.000 2.894 363 H HA 0.592 5.155 4.556 0.012 0.000 0.367 363 H C -0.727 174.631 175.328 0.050 0.000 1.144 363 H CA -0.525 55.547 56.048 0.040 0.000 1.180 363 H CB 2.363 32.132 29.762 0.012 0.000 1.758 363 H HN 0.381 nan 8.280 nan 0.000 0.541 364 L N 3.148 124.470 121.223 0.166 0.000 2.262 364 L HA 0.360 4.707 4.340 0.012 0.000 0.288 364 L C -0.196 176.786 176.870 0.187 0.000 1.035 364 L CA -0.514 54.390 54.840 0.106 0.000 0.820 364 L CB 0.639 42.728 42.059 0.051 0.000 1.204 364 L HN 0.764 nan 8.230 nan 0.000 0.424 365 T N 0.201 114.833 114.554 0.130 0.000 2.824 365 T HA 0.271 4.628 4.350 0.012 0.000 0.280 365 T C -0.594 174.223 174.700 0.196 0.000 0.995 365 T CA -0.594 61.575 62.100 0.115 0.000 1.009 365 T CB 1.427 70.334 68.868 0.064 0.000 0.955 365 T HN 0.280 nan 8.240 nan 0.000 0.452 366 Y N 2.574 122.915 120.300 0.070 0.000 2.425 366 Y HA 0.320 4.877 4.550 0.012 0.000 0.347 366 Y C 0.077 176.009 175.900 0.054 0.000 0.976 366 Y CA -1.802 56.355 58.100 0.096 0.000 1.190 366 Y CB 0.302 38.874 38.460 0.187 0.000 1.136 366 Y HN 0.788 nan 8.280 nan 0.000 0.517 367 E N 4.884 125.140 120.200 0.094 0.000 1.852 367 E HA 0.002 4.359 4.350 0.012 0.000 0.276 367 E C -0.715 175.710 176.600 -0.291 0.000 1.163 367 E CA -0.248 56.103 56.400 -0.082 0.000 1.117 367 E CB -0.060 29.680 29.700 0.067 0.000 1.124 367 E HN 0.508 nan 8.360 nan 0.000 0.458 368 D N 2.192 122.155 120.400 -0.729 0.000 2.450 368 D HA -0.047 4.600 4.640 0.012 0.000 0.247 368 D C 0.195 176.378 176.300 -0.196 0.000 1.162 368 D CA 0.489 54.049 54.000 -0.733 0.000 0.879 368 D CB 0.702 41.134 40.800 -0.613 0.000 1.163 368 D HN 0.219 nan 8.370 nan 0.000 0.472 369 K N 2.198 122.566 120.400 -0.052 0.000 2.438 369 K HA 0.075 4.402 4.320 0.012 0.000 0.205 369 K C -0.111 176.528 176.600 0.064 0.000 1.033 369 K CA -0.271 56.029 56.287 0.022 0.000 1.089 369 K CB 0.984 33.513 32.500 0.048 0.000 0.857 369 K HN 0.163 nan 8.250 nan 0.000 0.522 370 D N 1.788 122.240 120.400 0.086 0.000 3.068 370 D HA 0.134 4.781 4.640 0.012 0.000 0.327 370 D C -0.590 175.778 176.300 0.112 0.000 1.361 370 D CA -0.284 53.791 54.000 0.125 0.000 0.877 370 D CB 0.096 41.010 40.800 0.190 0.000 1.088 370 D HN 0.086 nan 8.370 nan 0.000 0.489 371 L N 1.426 122.701 121.223 0.087 0.000 2.410 371 L HA 0.299 4.646 4.340 0.012 0.000 0.273 371 L C 0.602 177.510 176.870 0.064 0.000 1.144 371 L CA 0.020 54.904 54.840 0.074 0.000 0.863 371 L CB 0.779 42.889 42.059 0.086 0.000 1.140 371 L HN -0.006 nan 8.230 nan 0.000 0.463 372 I N 2.988 123.581 120.570 0.037 0.000 2.336 372 I HA 0.452 4.629 4.170 0.012 0.000 0.292 372 I C 1.108 177.238 176.117 0.021 0.000 0.991 372 I CA -0.045 61.286 61.300 0.052 0.000 1.227 372 I CB 1.388 39.438 38.000 0.083 0.000 1.366 372 I HN 0.888 nan 8.210 nan 0.000 0.466 373 G N 5.404 114.214 108.800 0.016 0.000 2.565 373 G HA2 -0.317 3.650 3.960 0.012 0.000 0.295 373 G HA3 -0.317 3.650 3.960 0.012 0.000 0.295 373 G C 0.461 175.371 174.900 0.017 0.000 1.165 373 G CA 0.191 45.292 45.100 0.002 0.000 0.977 373 G HN 0.646 nan 8.290 nan 0.000 0.546 374 Q N 1.915 121.736 119.800 0.035 0.000 2.365 374 Q HA 0.348 4.695 4.340 0.012 0.000 0.203 374 Q C 2.031 178.096 176.000 0.109 0.000 0.929 374 Q CA 1.150 56.984 55.803 0.052 0.000 0.948 374 Q CB 0.492 29.251 28.738 0.034 0.000 1.043 374 Q HN 1.978 nan 8.270 nan 0.000 0.505 375 G N 0.988 109.836 108.800 0.081 0.000 4.655 375 G HA2 -0.328 3.639 3.960 0.012 0.000 0.220 375 G HA3 -0.328 3.639 3.960 0.012 0.000 0.220 375 G C -0.261 174.603 174.900 -0.060 0.000 1.403 375 G CA 0.220 45.371 45.100 0.085 0.000 0.931 375 G HN 0.334 nan 8.290 nan 0.000 0.654 376 Y N 0.168 120.487 120.300 0.031 0.000 2.545 376 Y HA 0.612 5.169 4.550 0.012 0.000 0.348 376 Y C 1.216 177.144 175.900 0.045 0.000 1.002 376 Y CA -0.549 57.556 58.100 0.008 0.000 1.039 376 Y CB 1.354 39.799 38.460 -0.026 0.000 1.271 376 Y HN 0.472 nan 8.280 nan 0.000 0.467 377 I N -1.321 119.280 120.570 0.052 0.000 3.749 377 I HA 0.265 4.442 4.170 0.012 0.000 0.314 377 I C 0.194 176.268 176.117 -0.072 0.000 1.267 377 I CA 0.421 61.616 61.300 -0.175 0.000 1.169 377 I CB -0.016 37.689 38.000 -0.492 0.000 1.009 377 I HN 0.434 nan 8.210 nan 0.000 0.444 378 T N -0.069 114.520 114.554 0.059 0.000 2.909 378 T HA 0.265 4.622 4.350 0.012 0.000 0.299 378 T C 0.998 175.716 174.700 0.030 0.000 1.073 378 T CA 0.101 62.214 62.100 0.022 0.000 0.999 378 T CB 1.750 70.610 68.868 -0.014 0.000 1.098 378 T HN 0.314 nan 8.240 nan 0.000 0.477 379 T N 0.772 115.326 114.554 -0.000 0.000 3.113 379 T HA 0.183 4.540 4.350 0.012 0.000 0.263 379 T C 0.335 174.979 174.700 -0.093 0.000 1.143 379 T CA 0.480 62.564 62.100 -0.027 0.000 1.090 379 T CB -0.237 68.620 68.868 -0.019 0.000 0.922 379 T HN 0.652 nan 8.240 nan 0.000 0.521 380 E N 1.281 121.412 120.200 -0.116 0.000 2.216 380 E HA 0.521 4.878 4.350 0.012 0.000 0.279 380 E C -0.678 175.738 176.600 -0.307 0.000 0.997 380 E CA -0.981 55.313 56.400 -0.177 0.000 0.817 380 E CB 0.989 30.603 29.700 -0.143 0.000 1.096 380 E HN 0.057 nan 8.360 nan 0.000 0.393 381 R N 2.558 122.837 120.500 -0.369 0.000 2.474 381 R HA 0.310 4.657 4.340 0.012 0.000 0.295 381 R C -2.312 173.778 176.300 -0.349 0.000 0.980 381 R CA -2.532 53.239 56.100 -0.548 0.000 0.934 381 R CB 0.110 30.112 30.300 -0.497 0.000 1.101 381 R HN 0.395 nan 8.270 nan 0.000 0.469 382 P HA -0.021 nan 4.420 nan 0.000 0.258 382 P C -0.949 176.072 177.300 -0.464 0.000 1.172 382 P CA 0.219 63.119 63.100 -0.335 0.000 0.762 382 P CB 0.503 32.151 31.700 -0.087 0.000 0.764 383 S N 3.012 118.324 115.700 -0.647 0.000 2.571 383 S HA 0.694 5.171 4.470 0.012 0.000 0.284 383 S C -0.978 173.296 174.600 -0.543 0.000 1.128 383 S CA -0.797 57.147 58.200 -0.427 0.000 0.970 383 S CB 0.687 63.777 63.200 -0.183 0.000 1.039 383 S HN 0.149 nan 8.310 nan 0.000 0.485 384 F N 1.517 121.530 119.950 0.105 0.000 2.458 384 F HA 0.519 5.053 4.527 0.012 0.000 0.336 384 F C 0.929 176.744 175.800 0.025 0.000 1.114 384 F CA -0.906 57.136 58.000 0.071 0.000 0.987 384 F CB 1.131 40.138 39.000 0.012 0.000 1.130 384 F HN 0.602 nan 8.300 nan 0.000 0.458 388 A N 1.656 124.465 122.820 -0.018 0.000 2.362 388 A HA 0.593 4.920 4.320 0.012 0.000 0.276 388 A C 0.298 177.877 177.584 -0.008 0.000 1.153 388 A CA 0.378 52.409 52.037 -0.010 0.000 0.813 388 A CB 0.104 19.100 19.000 -0.006 0.000 1.081 388 A HN 0.965 nan 8.150 nan 0.000 0.507 389 D N 2.006 122.402 120.400 -0.007 0.000 2.895 389 D HA 0.247 4.894 4.640 0.012 0.000 0.258 389 D C -0.106 176.192 176.300 -0.004 0.000 1.311 389 D CA -0.142 53.854 54.000 -0.006 0.000 0.843 389 D CB -0.140 40.655 40.800 -0.008 0.000 1.055 389 D HN 0.535 nan 8.370 nan 0.000 0.486 390 K N -0.473 119.926 120.400 -0.003 0.000 2.703 390 K HA 0.183 4.510 4.320 0.012 0.000 0.285 390 K C -1.843 174.757 176.600 -0.001 0.000 1.014 390 K CA -0.848 55.438 56.287 -0.002 0.000 0.858 390 K CB 1.826 34.325 32.500 -0.002 0.000 1.467 390 K HN -0.027 nan 8.250 nan 0.000 0.383 391 K N 3.237 123.637 120.400 0.000 0.000 2.118 391 K HA 0.471 4.798 4.320 0.012 0.000 0.254 391 K C -0.678 175.923 176.600 0.002 0.000 0.961 391 K CA -0.765 55.523 56.287 0.001 0.000 0.876 391 K CB 0.795 33.296 32.500 0.001 0.000 1.077 391 K HN 0.409 nan 8.250 nan 0.000 0.440 392 I N 2.609 123.181 120.570 0.003 0.000 2.646 392 I HA 0.303 4.480 4.170 0.012 0.000 0.299 392 I C 0.256 176.375 176.117 0.003 0.000 1.036 392 I CA -0.284 61.018 61.300 0.003 0.000 1.074 392 I CB 1.151 39.153 38.000 0.004 0.000 1.258 392 I HN 1.066 nan 8.210 nan 0.000 0.430 393 E N 0.000 120.202 120.200 0.003 0.000 2.725 393 E HA 0.000 4.357 4.350 0.012 0.000 0.291 393 E CA 0.000 56.402 56.400 0.003 0.000 0.976 393 E CB 0.000 29.702 29.700 0.004 0.000 0.812 393 E HN 0.000 nan 8.360 nan 0.000 0.440