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 2cc2_1_A DATA FIRST_RESID 8 DATA SEQUENCE RPIIAFMSDL GTTDDSVAQC KGLMYSICPD VTVVDVCHSM TPWDVEEGAR DATA SEQUENCE YIVDLPRFFP EGTVFATTTY PATGTTTRSV AVRIKQAAKG GAXGQWAGSG DATA SEQUENCE AGFERAEGSY IYIAPNNGLL TTVLEEHGYL EAYEVTSPKV IPEQPEPTFY DATA SEQUENCE SREMVAIPSA HLAAGFPLSE VGRPLEDHEI VRFNRPAVEQ DGEALVGVVS DATA SEQUENCE AIDHPFGNVW TNIHRTDLEK AGIGYGARLR LTLDGVLPFE APLTPTFADA DATA SEQUENCE GEIGNIAIYL NSRGYLSIAR NAASLAYPYH LKEGMSARVE A VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 R HA 0.000 nan 4.340 nan 0.000 0.208 8 R C 0.000 176.299 176.300 -0.002 0.000 0.893 8 R CA 0.000 56.102 56.100 0.003 0.000 0.921 8 R CB 0.000 30.305 30.300 0.009 0.000 0.687 9 P HA 0.429 nan 4.420 nan 0.000 0.278 9 P C -0.505 176.775 177.300 -0.034 0.000 1.238 9 P CA -0.427 62.652 63.100 -0.035 0.000 0.794 9 P CB 1.038 32.707 31.700 -0.051 0.000 0.955 10 I N 2.314 122.853 120.570 -0.053 0.000 2.498 10 I HA 0.389 4.558 4.170 -0.001 0.000 0.290 10 I C -0.253 175.768 176.117 -0.160 0.000 1.032 10 I CA -0.780 60.488 61.300 -0.053 0.000 1.073 10 I CB 1.726 39.753 38.000 0.044 0.000 1.251 10 I HN 0.156 nan 8.210 nan 0.000 0.426 11 I N 5.461 125.930 120.570 -0.168 0.000 2.362 11 I HA 0.531 4.701 4.170 -0.001 0.000 0.289 11 I C 0.100 176.119 176.117 -0.163 0.000 0.994 11 I CA -0.451 60.715 61.300 -0.224 0.000 1.158 11 I CB 1.769 39.631 38.000 -0.231 0.000 1.315 11 I HN 0.569 nan 8.210 nan 0.000 0.451 12 A N 6.885 129.546 122.820 -0.265 0.000 2.260 12 A HA 0.647 4.967 4.320 -0.001 0.000 0.314 12 A C -1.096 176.573 177.584 0.141 0.000 1.257 12 A CA -0.259 51.716 52.037 -0.103 0.000 0.871 12 A CB 0.512 19.280 19.000 -0.386 0.000 1.166 12 A HN 0.518 nan 8.150 nan 0.000 0.522 13 F N 4.399 124.366 119.950 0.028 0.000 2.427 13 F HA 0.627 5.153 4.527 -0.002 0.000 0.348 13 F C -0.610 175.210 175.800 0.034 0.000 1.125 13 F CA -1.725 56.323 58.000 0.081 0.000 0.989 13 F CB 1.772 40.859 39.000 0.144 0.000 1.165 13 F HN 0.480 nan 8.300 nan 0.000 0.442 14 M N 6.748 126.422 119.600 0.125 0.000 2.142 14 M HA 0.438 4.918 4.480 -0.001 0.000 0.299 14 M C -1.253 175.004 176.300 -0.071 0.000 0.960 14 M CA 0.029 55.255 55.300 -0.124 0.000 0.920 14 M CB 1.287 33.917 32.600 0.051 0.000 1.541 14 M HN 0.741 nan 8.290 nan 0.000 0.429 15 S N 2.810 118.406 115.700 -0.174 0.000 2.806 15 S HA 0.678 5.147 4.470 -0.001 0.000 0.306 15 S C -0.288 174.336 174.600 0.040 0.000 1.167 15 S CA -0.461 57.749 58.200 0.017 0.000 0.847 15 S CB 1.783 64.980 63.200 -0.004 0.000 1.216 15 S HN 0.663 nan 8.310 nan 0.000 0.532 16 D N -0.092 120.346 120.400 0.062 0.000 2.424 16 D HA 0.181 4.821 4.640 -0.001 0.000 0.220 16 D C 1.150 177.440 176.300 -0.016 0.000 1.150 16 D CA -0.241 53.755 54.000 -0.006 0.000 0.831 16 D CB -0.554 40.202 40.800 -0.074 0.000 0.981 16 D HN 0.465 nan 8.370 nan 0.000 0.500 17 L N 0.146 121.385 121.223 0.027 0.000 2.465 17 L HA 0.209 4.548 4.340 -0.001 0.000 0.224 17 L C 1.471 178.316 176.870 -0.042 0.000 1.145 17 L CA 0.496 55.335 54.840 -0.002 0.000 0.834 17 L CB -0.833 41.249 42.059 0.039 0.000 0.944 17 L HN 0.300 nan 8.230 nan 0.000 0.451 18 G N 0.665 109.450 108.800 -0.025 0.000 2.804 18 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.230 18 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.230 18 G C 0.336 175.207 174.900 -0.049 0.000 1.386 18 G CA 0.003 45.084 45.100 -0.032 0.000 0.875 18 G HN 0.300 nan 8.290 nan 0.000 0.557 19 T N -4.123 110.405 114.554 -0.042 0.000 3.339 19 T HA 0.475 4.824 4.350 -0.001 0.000 0.292 19 T C 1.472 176.149 174.700 -0.038 0.000 1.012 19 T CA 1.085 63.158 62.100 -0.046 0.000 0.937 19 T CB 0.127 68.983 68.868 -0.021 0.000 1.164 19 T HN 1.596 nan 8.240 nan 0.000 0.509 20 T N -1.257 113.272 114.554 -0.040 0.000 3.044 20 T HA 0.223 4.572 4.350 -0.001 0.000 0.250 20 T C 0.431 175.115 174.700 -0.027 0.000 1.081 20 T CA 0.346 62.425 62.100 -0.035 0.000 1.040 20 T CB -0.039 68.805 68.868 -0.039 0.000 0.962 20 T HN 0.618 nan 8.240 nan 0.000 0.506 21 D N 0.759 121.144 120.400 -0.025 0.000 2.837 21 D HA 0.156 4.795 4.640 -0.001 0.000 0.294 21 D C -0.309 175.991 176.300 0.001 0.000 1.158 21 D CA -0.516 53.477 54.000 -0.012 0.000 1.073 21 D CB 0.196 40.987 40.800 -0.015 0.000 1.419 21 D HN 0.048 nan 8.370 nan 0.000 0.584 22 D N -0.779 119.634 120.400 0.021 0.000 2.319 22 D HA 0.040 4.680 4.640 -0.001 0.000 0.230 22 D C 0.797 177.151 176.300 0.091 0.000 1.094 22 D CA -0.062 53.965 54.000 0.046 0.000 0.856 22 D CB 0.083 40.913 40.800 0.050 0.000 0.915 22 D HN 0.157 nan 8.370 nan 0.000 0.517 23 S N 0.132 115.888 115.700 0.092 0.000 2.356 23 S HA -0.112 4.357 4.470 -0.001 0.000 0.223 23 S C 2.182 176.945 174.600 0.271 0.000 1.032 23 S CA 0.808 59.139 58.200 0.218 0.000 1.005 23 S CB -0.181 63.080 63.200 0.102 0.000 0.867 23 S HN 0.207 nan 8.310 nan 0.000 0.449 24 V N 1.991 121.969 119.914 0.106 0.000 2.343 24 V HA -0.202 3.917 4.120 -0.001 0.000 0.247 24 V C 2.599 178.784 176.094 0.152 0.000 1.051 24 V CA 1.693 64.040 62.300 0.078 0.000 1.036 24 V CB -1.166 30.476 31.823 -0.302 0.000 0.654 24 V HN 0.541 nan 8.190 nan 0.000 0.451 25 A N -1.030 121.849 122.820 0.099 0.000 1.933 25 A HA -0.276 4.043 4.320 -0.001 0.000 0.218 25 A C 2.172 179.817 177.584 0.101 0.000 1.175 25 A CA 1.810 53.908 52.037 0.102 0.000 0.628 25 A CB -0.443 18.600 19.000 0.072 0.000 0.814 25 A HN 0.624 nan 8.150 nan 0.000 0.444 26 Q N -0.869 118.996 119.800 0.108 0.000 2.061 26 Q HA -0.218 4.121 4.340 -0.001 0.000 0.204 26 Q C 2.360 178.365 176.000 0.008 0.000 0.984 26 Q CA 1.862 57.708 55.803 0.072 0.000 0.846 26 Q CB -0.494 28.317 28.738 0.120 0.000 0.902 26 Q HN 0.781 nan 8.270 nan 0.000 0.421 27 C N 0.691 120.003 119.300 0.019 0.000 2.432 27 C HA -0.130 4.329 4.460 -0.001 0.000 0.277 27 C C 2.449 177.378 174.990 -0.102 0.000 1.249 27 C CA 0.740 59.712 59.018 -0.077 0.000 1.725 27 C CB -0.713 27.038 27.740 0.017 0.000 2.028 27 C HN 0.470 nan 8.230 nan 0.000 0.477 28 K N 0.596 121.002 120.400 0.011 0.000 2.097 28 K HA -0.076 4.243 4.320 -0.001 0.000 0.206 28 K C 2.242 178.915 176.600 0.122 0.000 1.049 28 K CA 1.567 57.872 56.287 0.031 0.000 0.933 28 K CB -0.518 32.098 32.500 0.193 0.000 0.717 28 K HN 0.608 nan 8.250 nan 0.000 0.442 29 G N 1.509 110.380 108.800 0.118 0.000 2.446 29 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.217 29 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.217 29 G C 1.461 176.391 174.900 0.051 0.000 1.168 29 G CA 0.710 45.878 45.100 0.113 0.000 0.771 29 G HN 0.113 nan 8.290 nan 0.000 0.551 30 L N -0.329 120.876 121.223 -0.030 0.000 2.083 30 L HA -0.034 4.306 4.340 -0.001 0.000 0.209 30 L C 3.092 179.877 176.870 -0.142 0.000 1.083 30 L CA 0.854 55.641 54.840 -0.088 0.000 0.752 30 L CB -0.314 41.670 42.059 -0.125 0.000 0.899 30 L HN 0.253 nan 8.230 nan 0.000 0.433 31 M N -1.562 117.919 119.600 -0.198 0.000 2.086 31 M HA -0.230 4.249 4.480 -0.001 0.000 0.261 31 M C 2.251 178.380 176.300 -0.284 0.000 1.067 31 M CA 2.008 57.121 55.300 -0.312 0.000 1.116 31 M CB -0.442 31.890 32.600 -0.448 0.000 1.348 31 M HN 0.097 nan 8.290 nan 0.000 0.407 32 Y N -0.331 119.913 120.300 -0.093 0.000 2.352 32 Y HA -0.104 4.446 4.550 -0.000 0.000 0.292 32 Y C 2.730 178.586 175.900 -0.073 0.000 1.136 32 Y CA 1.057 59.115 58.100 -0.070 0.000 1.227 32 Y CB -0.705 37.729 38.460 -0.043 0.000 0.991 32 Y HN 0.207 nan 8.280 nan 0.000 0.545 33 S N 0.132 115.864 115.700 0.053 0.000 2.356 33 S HA -0.156 4.313 4.470 -0.001 0.000 0.223 33 S C 2.037 176.604 174.600 -0.055 0.000 1.032 33 S CA 1.496 59.695 58.200 -0.002 0.000 1.005 33 S CB -0.431 62.756 63.200 -0.022 0.000 0.867 33 S HN 0.371 nan 8.310 nan 0.000 0.449 34 I N -0.237 120.253 120.570 -0.133 0.000 2.286 34 I HA -0.038 4.131 4.170 -0.001 0.000 0.245 34 I C 1.035 177.045 176.117 -0.178 0.000 1.104 34 I CA 0.590 61.753 61.300 -0.228 0.000 1.397 34 I CB 0.088 37.812 38.000 -0.461 0.000 1.072 34 I HN 0.282 nan 8.210 nan 0.000 0.417 35 C N 2.301 121.512 119.300 -0.148 0.000 2.621 35 C HA 0.376 4.836 4.460 -0.001 0.000 0.272 35 C C -1.173 173.800 174.990 -0.030 0.000 1.119 35 C CA -1.803 57.154 59.018 -0.101 0.000 1.593 35 C CB -0.479 27.177 27.740 -0.139 0.000 1.749 35 C HN 0.118 nan 8.230 nan 0.000 0.420 36 P HA -0.132 nan 4.420 nan 0.000 0.217 36 P C 0.786 178.135 177.300 0.081 0.000 1.148 36 P CA 1.704 64.837 63.100 0.054 0.000 0.834 36 P CB 0.180 31.894 31.700 0.025 0.000 0.783 37 D N -1.660 118.767 120.400 0.045 0.000 2.340 37 D HA 0.023 4.662 4.640 -0.001 0.000 0.220 37 D C 0.678 177.015 176.300 0.061 0.000 1.039 37 D CA 0.046 54.075 54.000 0.049 0.000 0.866 37 D CB -0.280 40.532 40.800 0.020 0.000 0.913 37 D HN 0.025 nan 8.370 nan 0.000 0.523 38 V N 0.735 120.677 119.914 0.046 0.000 2.963 38 V HA 0.084 4.203 4.120 -0.001 0.000 0.306 38 V C 0.185 176.318 176.094 0.065 0.000 1.077 38 V CA 0.493 62.780 62.300 -0.021 0.000 1.124 38 V CB 1.376 33.091 31.823 -0.181 0.000 0.987 38 V HN 0.031 nan 8.190 nan 0.000 0.487 39 T N 5.189 119.759 114.554 0.027 0.000 2.792 39 T HA 0.483 4.832 4.350 -0.001 0.000 0.280 39 T C -0.664 174.042 174.700 0.011 0.000 0.990 39 T CA -0.278 61.879 62.100 0.096 0.000 0.960 39 T CB 1.356 70.289 68.868 0.109 0.000 0.939 39 T HN 0.496 nan 8.240 nan 0.000 0.439 40 V N 4.509 124.436 119.914 0.021 0.000 2.350 40 V HA 0.395 4.514 4.120 -0.001 0.000 0.276 40 V C 0.010 176.191 176.094 0.146 0.000 1.028 40 V CA -0.713 61.589 62.300 0.004 0.000 0.860 40 V CB 1.329 33.100 31.823 -0.087 0.000 0.990 40 V HN 0.687 nan 8.190 nan 0.000 0.453 41 V N 3.995 124.007 119.914 0.164 0.000 2.398 41 V HA 0.347 4.466 4.120 -0.001 0.000 0.286 41 V C -0.067 176.169 176.094 0.237 0.000 1.026 41 V CA -0.835 61.600 62.300 0.225 0.000 0.868 41 V CB 1.594 33.612 31.823 0.325 0.000 0.982 41 V HN 0.765 nan 8.190 nan 0.000 0.443 42 D N 3.528 124.063 120.400 0.224 0.000 2.371 42 D HA 0.167 4.806 4.640 -0.001 0.000 0.256 42 D C 0.861 177.199 176.300 0.062 0.000 1.193 42 D CA 0.094 54.194 54.000 0.167 0.000 0.881 42 D CB 2.224 43.139 40.800 0.191 0.000 1.143 42 D HN 0.249 nan 8.370 nan 0.000 0.473 43 V N 2.118 122.011 119.914 -0.036 0.000 2.251 43 V HA -0.040 4.079 4.120 -0.001 0.000 0.237 43 V C 0.962 176.938 176.094 -0.196 0.000 1.040 43 V CA 1.059 63.338 62.300 -0.036 0.000 1.005 43 V CB -0.127 31.700 31.823 0.008 0.000 0.645 43 V HN 0.901 nan 8.190 nan 0.000 0.458 44 C N -1.754 117.295 119.300 -0.419 0.000 3.302 44 C HA 0.512 4.971 4.460 -0.001 0.000 0.347 44 C C -0.121 174.440 174.990 -0.714 0.000 1.218 44 C CA -0.766 57.953 59.018 -0.500 0.000 1.234 44 C CB 0.616 28.101 27.740 -0.424 0.000 1.551 44 C HN 0.558 nan 8.230 nan 0.000 0.501 45 H N 0.221 119.185 119.070 -0.176 0.000 2.662 45 H HA 0.270 4.825 4.556 -0.001 0.000 0.268 45 H C 0.994 176.241 175.328 -0.136 0.000 1.152 45 H CA 0.185 56.130 56.048 -0.172 0.000 1.072 45 H CB 0.819 30.470 29.762 -0.186 0.000 1.660 45 H HN 0.723 nan 8.280 nan 0.000 0.584 46 S N 1.083 116.726 115.700 -0.096 0.000 2.540 46 S HA 0.075 4.544 4.470 -0.001 0.000 0.218 46 S C 1.120 175.686 174.600 -0.057 0.000 0.977 46 S CA -0.337 57.806 58.200 -0.094 0.000 0.918 46 S CB 0.102 63.216 63.200 -0.143 0.000 0.806 46 S HN 0.430 nan 8.310 nan 0.000 0.496 47 M N 1.066 120.666 119.600 0.001 0.000 2.250 47 M HA 0.198 4.678 4.480 -0.001 0.000 0.325 47 M C -0.160 176.125 176.300 -0.024 0.000 1.084 47 M CA 0.313 55.684 55.300 0.117 0.000 1.161 47 M CB -0.481 32.248 32.600 0.216 0.000 1.481 47 M HN -0.193 nan 8.290 nan 0.000 0.449 48 T N 3.595 118.132 114.554 -0.030 0.000 2.792 48 T HA 0.170 4.519 4.350 -0.001 0.000 0.286 48 T C -2.262 172.297 174.700 -0.235 0.000 0.970 48 T CA -0.435 61.587 62.100 -0.128 0.000 1.187 48 T CB -0.621 68.198 68.868 -0.081 0.000 0.915 48 T HN 0.512 nan 8.240 nan 0.000 0.529 49 P HA -0.110 nan 4.420 nan 0.000 0.261 49 P C 0.319 177.181 177.300 -0.731 0.000 1.173 49 P CA 0.379 62.934 63.100 -0.909 0.000 0.760 49 P CB 0.086 30.776 31.700 -1.684 0.000 0.783 50 W N 0.160 121.478 121.300 0.031 0.000 1.828 50 W HA -0.167 4.492 4.660 -0.001 0.000 0.253 50 W C 0.004 176.519 176.519 -0.006 0.000 1.019 50 W CA 0.251 57.608 57.345 0.021 0.000 0.447 50 W CB -2.232 27.240 29.460 0.019 0.000 2.033 50 W HN 0.350 nan 8.180 nan 0.000 1.268 51 D N 2.122 122.565 120.400 0.071 0.000 2.494 51 D HA 0.345 4.984 4.640 -0.001 0.000 0.217 51 D C 1.418 177.689 176.300 -0.048 0.000 1.153 51 D CA 0.668 54.666 54.000 -0.003 0.000 0.954 51 D CB 0.580 41.352 40.800 -0.047 0.000 1.034 51 D HN -0.009 nan 8.370 nan 0.000 0.518 52 V N 1.547 121.436 119.914 -0.042 0.000 2.626 52 V HA -0.158 3.962 4.120 -0.001 0.000 0.252 52 V C 1.629 177.625 176.094 -0.163 0.000 1.067 52 V CA 1.199 63.481 62.300 -0.030 0.000 1.081 52 V CB -0.504 31.358 31.823 0.066 0.000 0.686 52 V HN 0.170 nan 8.190 nan 0.000 0.468 53 E N 0.930 120.875 120.200 -0.426 0.000 2.106 53 E HA -0.141 4.208 4.350 -0.001 0.000 0.192 53 E C 2.219 178.625 176.600 -0.324 0.000 0.984 53 E CA 1.510 57.525 56.400 -0.642 0.000 0.806 53 E CB -0.283 28.973 29.700 -0.740 0.000 0.750 53 E HN 0.858 nan 8.360 nan 0.000 0.458 54 E N 0.117 120.151 120.200 -0.277 0.000 2.046 54 E HA -0.125 4.225 4.350 -0.001 0.000 0.190 54 E C 2.184 178.498 176.600 -0.476 0.000 0.982 54 E CA 1.089 57.275 56.400 -0.357 0.000 0.800 54 E CB -0.292 29.258 29.700 -0.250 0.000 0.756 54 E HN 0.288 nan 8.360 nan 0.000 0.449 55 G N 0.932 109.611 108.800 -0.201 0.000 2.469 55 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.219 55 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.219 55 G C 1.661 176.547 174.900 -0.022 0.000 1.150 55 G CA 1.156 46.234 45.100 -0.037 0.000 0.763 55 G HN 0.432 nan 8.290 nan 0.000 0.561 56 A N 0.936 123.750 122.820 -0.010 0.000 1.908 56 A HA -0.064 4.256 4.320 -0.001 0.000 0.218 56 A C 2.444 180.045 177.584 0.028 0.000 1.181 56 A CA 1.705 53.789 52.037 0.077 0.000 0.627 56 A CB -0.424 18.729 19.000 0.255 0.000 0.818 56 A HN 0.392 nan 8.150 nan 0.000 0.445 57 R N -1.714 118.729 120.500 -0.095 0.000 2.127 57 R HA -0.148 4.191 4.340 -0.001 0.000 0.238 57 R C 1.581 177.911 176.300 0.049 0.000 1.134 57 R CA 1.533 57.590 56.100 -0.072 0.000 0.975 57 R CB -0.441 29.750 30.300 -0.182 0.000 0.865 57 R HN 0.657 nan 8.270 nan 0.000 0.447 58 Y N 0.349 120.706 120.300 0.095 0.000 2.561 58 Y HA 0.011 4.561 4.550 -0.001 0.000 0.291 58 Y C 1.963 177.916 175.900 0.088 0.000 1.141 58 Y CA 0.151 58.303 58.100 0.086 0.000 1.303 58 Y CB -0.190 38.296 38.460 0.044 0.000 1.015 58 Y HN 0.166 nan 8.280 nan 0.000 0.547 59 I N -5.805 114.895 120.570 0.217 0.000 4.471 59 I HA 0.146 4.316 4.170 -0.001 0.000 0.326 59 I C 1.712 177.908 176.117 0.132 0.000 1.300 59 I CA 0.272 61.667 61.300 0.158 0.000 1.237 59 I CB -0.433 37.696 38.000 0.214 0.000 1.195 59 I HN -0.205 nan 8.210 nan 0.000 0.427 60 V N 2.470 122.468 119.914 0.141 0.000 2.469 60 V HA -0.205 3.914 4.120 -0.001 0.000 0.251 60 V C 1.417 177.678 176.094 0.279 0.000 1.064 60 V CA 2.498 64.895 62.300 0.162 0.000 1.066 60 V CB -0.497 31.393 31.823 0.111 0.000 0.667 60 V HN 0.491 nan 8.190 nan 0.000 0.461 61 D N -0.971 119.580 120.400 0.251 0.000 2.368 61 D HA 0.165 4.805 4.640 -0.001 0.000 0.218 61 D C 1.685 178.235 176.300 0.417 0.000 1.112 61 D CA 0.091 54.288 54.000 0.328 0.000 0.834 61 D CB 0.632 41.634 40.800 0.337 0.000 0.953 61 D HN 0.419 nan 8.370 nan 0.000 0.505 62 L N 0.601 121.964 121.223 0.232 0.000 2.162 62 L HA 0.019 4.359 4.340 -0.001 0.000 0.205 62 L C -0.555 176.519 176.870 0.340 0.000 1.086 62 L CA 0.666 55.690 54.840 0.306 0.000 0.778 62 L CB -1.280 40.725 42.059 -0.089 0.000 0.928 62 L HN -0.071 nan 8.230 nan 0.000 0.446 63 P HA -0.240 nan 4.420 nan 0.000 0.215 63 P C 1.252 178.473 177.300 -0.132 0.000 1.163 63 P CA 1.588 64.448 63.100 -0.400 0.000 0.894 63 P CB -0.173 31.154 31.700 -0.622 0.000 0.791 64 R N -1.419 119.088 120.500 0.013 0.000 2.241 64 R HA -0.056 4.283 4.340 -0.001 0.000 0.224 64 R C 1.526 177.804 176.300 -0.035 0.000 1.101 64 R CA 1.372 57.512 56.100 0.066 0.000 0.995 64 R CB -1.327 28.979 30.300 0.010 0.000 0.870 64 R HN 0.173 nan 8.270 nan 0.000 0.463 65 F N -0.026 120.095 119.950 0.286 0.000 2.664 65 F HA 0.276 4.803 4.527 -0.001 0.000 0.296 65 F C 0.497 176.338 175.800 0.070 0.000 1.125 65 F CA 0.035 58.131 58.000 0.160 0.000 1.444 65 F CB 0.111 39.153 39.000 0.070 0.000 1.114 65 F HN -0.164 nan 8.300 nan 0.000 0.576 66 F N 0.130 120.319 119.950 0.398 0.000 2.470 66 F HA 0.457 4.983 4.527 -0.002 0.000 0.329 66 F C -2.060 173.971 175.800 0.385 0.000 1.072 66 F CA -2.979 55.243 58.000 0.370 0.000 0.989 66 F CB 0.557 39.779 39.000 0.369 0.000 1.193 66 F HN -0.385 nan 8.300 nan 0.000 0.481 67 P HA 0.014 nan 4.420 nan 0.000 0.267 67 P C -0.922 176.515 177.300 0.229 0.000 1.200 67 P CA -0.076 63.175 63.100 0.252 0.000 0.772 67 P CB 0.365 32.148 31.700 0.139 0.000 0.855 68 E N 1.093 121.311 120.200 0.029 0.000 2.442 68 E HA 0.215 4.564 4.350 -0.001 0.000 0.262 68 E C 1.226 177.684 176.600 -0.236 0.000 1.004 68 E CA 0.919 57.146 56.400 -0.288 0.000 0.928 68 E CB -0.230 29.339 29.700 -0.218 0.000 0.937 68 E HN 0.787 nan 8.360 nan 0.000 0.446 69 G N 2.727 111.310 108.800 -0.361 0.000 2.194 69 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.236 69 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.236 69 G C 0.474 175.279 174.900 -0.158 0.000 0.987 69 G CA 0.127 45.108 45.100 -0.198 0.000 0.635 69 G HN 0.532 nan 8.290 nan 0.000 0.520 70 T N 1.326 115.798 114.554 -0.136 0.000 2.928 70 T HA 0.419 4.769 4.350 -0.001 0.000 0.305 70 T C 0.611 175.076 174.700 -0.392 0.000 1.035 70 T CA 0.395 62.357 62.100 -0.230 0.000 1.145 70 T CB 1.878 70.616 68.868 -0.217 0.000 0.963 70 T HN 0.521 nan 8.240 nan 0.000 0.545 71 V N 4.556 124.200 119.914 -0.451 0.000 2.427 71 V HA 0.411 4.530 4.120 -0.001 0.000 0.286 71 V C -0.414 175.278 176.094 -0.670 0.000 1.034 71 V CA -0.740 61.313 62.300 -0.412 0.000 0.893 71 V CB 0.807 32.507 31.823 -0.205 0.000 0.982 71 V HN 0.701 nan 8.190 nan 0.000 0.452 72 F N 3.079 122.843 119.950 -0.310 0.000 2.361 72 F HA 0.638 5.164 4.527 -0.001 0.000 0.364 72 F C 0.658 176.381 175.800 -0.128 0.000 1.120 72 F CA -0.576 57.209 58.000 -0.358 0.000 1.102 72 F CB 1.220 39.724 39.000 -0.827 0.000 1.183 72 F HN 0.519 nan 8.300 nan 0.000 0.476 73 A N 2.802 125.692 122.820 0.116 0.000 2.294 73 A HA 0.590 4.909 4.320 -0.001 0.000 0.316 73 A C 0.037 177.838 177.584 0.362 0.000 1.359 73 A CA -0.408 51.738 52.037 0.181 0.000 0.956 73 A CB -0.340 18.669 19.000 0.015 0.000 1.155 73 A HN 0.693 nan 8.150 nan 0.000 0.544 74 T N -0.448 114.297 114.554 0.319 0.000 2.840 74 T HA 0.689 5.038 4.350 -0.001 0.000 0.287 74 T C -0.554 174.302 174.700 0.260 0.000 0.991 74 T CA -0.524 61.757 62.100 0.301 0.000 0.964 74 T CB 1.526 70.573 68.868 0.299 0.000 0.954 74 T HN 0.680 nan 8.240 nan 0.000 0.438 75 T N 1.856 116.565 114.554 0.259 0.000 3.237 75 T HA 0.565 4.914 4.350 -0.001 0.000 0.319 75 T C -1.284 173.547 174.700 0.217 0.000 1.037 75 T CA -0.367 61.880 62.100 0.246 0.000 1.048 75 T CB 1.736 70.835 68.868 0.386 0.000 1.081 75 T HN 0.938 nan 8.240 nan 0.000 0.455 76 T N 4.323 118.977 114.554 0.167 0.000 2.841 76 T HA 0.579 4.928 4.350 -0.001 0.000 0.285 76 T C -1.424 173.419 174.700 0.238 0.000 0.991 76 T CA -0.372 61.852 62.100 0.207 0.000 0.966 76 T CB 0.857 69.814 68.868 0.148 0.000 0.962 76 T HN 0.675 nan 8.240 nan 0.000 0.438 77 Y N 6.757 127.222 120.300 0.275 0.000 2.495 77 Y HA 0.303 4.852 4.550 -0.001 0.000 0.362 77 Y C -1.557 174.464 175.900 0.202 0.000 0.956 77 Y CA -2.241 56.005 58.100 0.243 0.000 1.127 77 Y CB 1.473 40.096 38.460 0.272 0.000 1.173 77 Y HN 0.589 nan 8.280 nan 0.000 0.639 78 P HA -0.154 nan 4.420 nan 0.000 0.222 78 P C 0.866 178.203 177.300 0.062 0.000 1.147 78 P CA 1.109 64.278 63.100 0.116 0.000 0.790 78 P CB 0.294 31.985 31.700 -0.015 0.000 0.780 79 A N -0.321 122.613 122.820 0.190 0.000 2.476 79 A HA 0.159 4.478 4.320 -0.001 0.000 0.263 79 A C 0.906 178.526 177.584 0.059 0.000 1.342 79 A CA -0.069 52.047 52.037 0.131 0.000 0.926 79 A CB -1.313 17.790 19.000 0.170 0.000 1.019 79 A HN 0.148 nan 8.150 nan 0.000 0.515 80 T N -0.547 113.978 114.554 -0.048 0.000 2.940 80 T HA 0.373 4.723 4.350 -0.001 0.000 0.309 80 T C 1.447 175.663 174.700 -0.806 0.000 1.056 80 T CA 1.462 63.214 62.100 -0.579 0.000 1.137 80 T CB 0.141 68.824 68.868 -0.309 0.000 0.976 80 T HN 1.720 nan 8.240 nan 0.000 0.547 81 G N 3.156 110.894 108.800 -1.769 0.000 2.148 81 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.254 81 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.254 81 G C 0.337 175.020 174.900 -0.361 0.000 0.981 81 G CA 0.870 45.432 45.100 -0.896 0.000 0.670 81 G HN 1.317 nan 8.290 nan 0.000 0.528 82 T N -3.628 110.755 114.554 -0.285 0.000 2.892 82 T HA 0.627 4.976 4.350 -0.001 0.000 0.280 82 T C 1.779 176.544 174.700 0.109 0.000 1.004 82 T CA 0.943 63.023 62.100 -0.033 0.000 0.950 82 T CB 1.024 69.888 68.868 -0.007 0.000 1.309 82 T HN 0.799 nan 8.240 nan 0.000 0.592 83 T N -2.369 112.246 114.554 0.100 0.000 3.085 83 T HA 0.084 4.433 4.350 -0.001 0.000 0.263 83 T C 1.174 175.963 174.700 0.148 0.000 1.127 83 T CA 0.635 62.805 62.100 0.118 0.000 1.103 83 T CB -0.782 68.132 68.868 0.076 0.000 0.921 83 T HN 0.758 nan 8.240 nan 0.000 0.510 84 T N 2.450 117.109 114.554 0.175 0.000 2.934 84 T HA 0.182 4.531 4.350 -0.001 0.000 0.321 84 T C -0.141 174.713 174.700 0.256 0.000 1.080 84 T CA -0.053 62.172 62.100 0.208 0.000 1.132 84 T CB 0.068 69.088 68.868 0.252 0.000 1.039 84 T HN 0.241 nan 8.240 nan 0.000 0.543 85 R N 2.802 123.423 120.500 0.202 0.000 2.795 85 R HA 0.453 4.793 4.340 -0.001 0.000 0.275 85 R C -0.125 176.286 176.300 0.185 0.000 0.981 85 R CA -0.735 55.472 56.100 0.179 0.000 0.917 85 R CB 1.817 32.175 30.300 0.096 0.000 1.202 85 R HN 0.665 nan 8.270 nan 0.000 0.469 86 S N 0.189 116.007 115.700 0.197 0.000 2.589 86 S HA 0.180 4.649 4.470 -0.001 0.000 0.265 86 S C -0.160 174.499 174.600 0.098 0.000 1.342 86 S CA -0.530 57.770 58.200 0.167 0.000 1.005 86 S CB 1.025 64.341 63.200 0.193 0.000 0.909 86 S HN 0.361 nan 8.310 nan 0.000 0.555 87 V N 1.188 121.144 119.914 0.070 0.000 2.513 87 V HA 0.793 4.912 4.120 -0.001 0.000 0.299 87 V C -0.444 175.697 176.094 0.080 0.000 1.035 87 V CA -0.622 61.707 62.300 0.050 0.000 0.889 87 V CB 1.086 32.901 31.823 -0.014 0.000 0.988 87 V HN 0.956 nan 8.190 nan 0.000 0.440 88 A N 6.500 129.387 122.820 0.112 0.000 2.318 88 A HA 0.836 5.155 4.320 -0.001 0.000 0.317 88 A C -0.685 176.999 177.584 0.167 0.000 1.159 88 A CA -0.240 51.888 52.037 0.152 0.000 0.799 88 A CB 1.491 20.590 19.000 0.166 0.000 1.194 88 A HN 1.861 nan 8.150 nan 0.000 0.479 89 V N 0.343 120.353 119.914 0.159 0.000 2.656 89 V HA 0.711 4.830 4.120 -0.001 0.000 0.307 89 V C -0.252 175.985 176.094 0.239 0.000 1.051 89 V CA -1.008 61.371 62.300 0.133 0.000 0.893 89 V CB 1.607 33.403 31.823 -0.045 0.000 0.999 89 V HN 0.936 nan 8.190 nan 0.000 0.426 90 R N 4.249 124.903 120.500 0.257 0.000 2.221 90 R HA 0.609 4.948 4.340 -0.001 0.000 0.327 90 R C 0.118 176.597 176.300 0.298 0.000 1.033 90 R CA -0.592 55.670 56.100 0.270 0.000 0.887 90 R CB 0.946 31.384 30.300 0.230 0.000 1.057 90 R HN 0.968 nan 8.270 nan 0.000 0.455 91 I N 0.952 121.722 120.570 0.333 0.000 3.004 91 I HA 0.164 4.333 4.170 -0.001 0.000 0.287 91 I C 0.941 177.224 176.117 0.276 0.000 1.144 91 I CA -0.470 61.023 61.300 0.323 0.000 1.353 91 I CB 1.014 39.208 38.000 0.322 0.000 1.417 91 I HN 0.627 nan 8.210 nan 0.000 0.602 92 K N 0.941 121.489 120.400 0.246 0.000 2.054 92 K HA 0.120 4.439 4.320 -0.001 0.000 0.207 92 K C 0.717 177.452 176.600 0.224 0.000 1.031 92 K CA 0.431 56.831 56.287 0.188 0.000 0.952 92 K CB 0.175 32.745 32.500 0.116 0.000 0.775 92 K HN 0.644 nan 8.250 nan 0.000 0.447 93 Q N -0.200 119.750 119.800 0.249 0.000 2.282 93 Q HA 0.292 4.631 4.340 -0.001 0.000 0.260 93 Q C 0.087 176.322 176.000 0.391 0.000 0.964 93 Q CA 0.008 55.983 55.803 0.287 0.000 0.880 93 Q CB 1.951 30.810 28.738 0.202 0.000 1.286 93 Q HN 0.467 nan 8.270 nan 0.000 0.445 94 A N 2.820 125.913 122.820 0.455 0.000 1.968 94 A HA 0.319 4.638 4.320 -0.001 0.000 0.217 94 A C 0.560 178.362 177.584 0.364 0.000 1.169 94 A CA 1.096 53.401 52.037 0.448 0.000 0.638 94 A CB -0.285 19.115 19.000 0.667 0.000 0.812 94 A HN 1.152 nan 8.150 nan 0.000 0.446 95 A N -1.184 121.742 122.820 0.176 0.000 2.434 95 A HA -0.077 4.242 4.320 -0.001 0.000 0.686 95 A C -0.107 177.182 177.584 -0.491 0.000 0.138 95 A CA 0.627 52.572 52.037 -0.153 0.000 0.027 95 A CB -1.420 17.570 19.000 -0.016 0.000 3.972 95 A HN 0.570 nan 8.150 nan 0.000 0.548 96 K N 0.860 120.824 120.400 -0.727 0.000 2.319 96 K HA 0.522 4.842 4.320 -0.001 0.000 0.265 96 K C 1.011 177.427 176.600 -0.307 0.000 1.000 96 K CA 0.610 56.506 56.287 -0.652 0.000 0.943 96 K CB 0.798 32.913 32.500 -0.643 0.000 0.950 96 K HN 1.367 nan 8.250 nan 0.000 0.485 97 G N -0.699 107.972 108.800 -0.214 0.000 2.947 97 G HA2 0.640 4.599 3.960 -0.001 0.000 0.293 97 G HA3 0.640 4.599 3.960 -0.001 0.000 0.293 97 G C -0.352 174.518 174.900 -0.050 0.000 1.243 97 G CA -0.287 44.760 45.100 -0.088 0.000 0.802 97 G HN 0.848 nan 8.290 nan 0.000 0.560 98 G N -1.337 107.470 108.800 0.012 0.000 2.725 98 G HA2 0.392 4.351 3.960 -0.001 0.000 0.220 98 G HA3 0.392 4.351 3.960 -0.001 0.000 0.220 98 G C 0.515 175.375 174.900 -0.067 0.000 1.357 98 G CA 0.441 45.545 45.100 0.007 0.000 0.866 98 G HN 2.143 nan 8.290 nan 0.000 0.548 102 Q N 0.822 120.510 119.800 -0.186 0.000 2.482 102 Q HA 0.576 4.916 4.340 -0.001 0.000 0.286 102 Q C -1.322 174.536 176.000 -0.237 0.000 1.007 102 Q CA -1.319 54.379 55.803 -0.174 0.000 0.801 102 Q CB 1.811 30.510 28.738 -0.066 0.000 1.455 102 Q HN 0.474 nan 8.270 nan 0.000 0.398 103 W N 0.755 122.009 121.300 -0.076 0.000 2.202 103 W HA 0.566 5.225 4.660 -0.001 0.000 0.332 103 W C 0.300 176.700 176.519 -0.199 0.000 1.263 103 W CA -0.310 56.964 57.345 -0.119 0.000 1.223 103 W CB 1.125 30.547 29.460 -0.065 0.000 1.128 103 W HN 0.728 nan 8.180 nan 0.000 0.573 104 A N 2.498 125.320 122.820 0.003 0.000 2.316 104 A HA 0.841 5.160 4.320 -0.001 0.000 0.284 104 A C 0.362 177.651 177.584 -0.492 0.000 1.115 104 A CA 0.476 52.394 52.037 -0.197 0.000 0.812 104 A CB 0.347 19.124 19.000 -0.371 0.000 1.064 104 A HN 1.232 nan 8.150 nan 0.000 0.489 105 G N 0.042 108.548 108.800 -0.490 0.000 2.354 105 G HA2 0.435 4.394 3.960 -0.001 0.000 0.582 105 G HA3 0.435 4.394 3.960 -0.001 0.000 0.582 105 G C -0.149 174.488 174.900 -0.440 0.000 1.316 105 G CA -0.253 44.296 45.100 -0.917 0.000 0.995 105 G HN 1.937 nan 8.290 nan 0.000 0.573 106 S N -0.035 115.538 115.700 -0.213 0.000 2.572 106 S HA 0.567 5.036 4.470 -0.001 0.000 0.267 106 S C 1.801 176.416 174.600 0.025 0.000 1.361 106 S CA 1.153 59.362 58.200 0.014 0.000 1.009 106 S CB 0.851 64.144 63.200 0.156 0.000 0.888 106 S HN 2.842 nan 8.310 nan 0.000 0.553 107 G N 1.416 110.245 108.800 0.049 0.000 2.583 107 G HA2 -0.125 3.834 3.960 -0.001 0.000 0.292 107 G HA3 -0.125 3.834 3.960 -0.001 0.000 0.292 107 G C 0.740 175.659 174.900 0.032 0.000 1.203 107 G CA 0.582 45.714 45.100 0.054 0.000 0.987 107 G HN 1.981 nan 8.290 nan 0.000 0.554 108 A N 0.770 123.621 122.820 0.052 0.000 2.337 108 A HA 0.661 4.981 4.320 -0.001 0.000 0.227 108 A C 1.836 179.459 177.584 0.065 0.000 1.259 108 A CA 1.580 53.652 52.037 0.058 0.000 0.870 108 A CB -0.980 18.066 19.000 0.076 0.000 0.927 108 A HN 2.872 nan 8.150 nan 0.000 0.497 109 G N -1.140 107.648 108.800 -0.020 0.000 2.712 109 G HA2 0.025 3.984 3.960 -0.001 0.000 0.683 109 G HA3 0.025 3.984 3.960 -0.001 0.000 0.683 109 G C -0.703 174.179 174.900 -0.031 0.000 1.320 109 G CA -0.644 44.365 45.100 -0.153 0.000 0.847 109 G HN 0.479 nan 8.290 nan 0.000 0.553 110 F N 0.858 120.810 119.950 0.004 0.000 2.385 110 F HA 0.552 5.078 4.527 -0.001 0.000 0.360 110 F C 0.744 176.247 175.800 -0.495 0.000 1.122 110 F CA -1.418 56.492 58.000 -0.150 0.000 1.090 110 F CB 1.648 40.603 39.000 -0.074 0.000 1.150 110 F HN 0.660 nan 8.300 nan 0.000 0.472 111 E N 4.274 124.147 120.200 -0.544 0.000 2.290 111 E HA 0.231 4.580 4.350 -0.001 0.000 0.277 111 E C -0.437 175.628 176.600 -0.892 0.000 1.035 111 E CA -0.671 54.946 56.400 -1.304 0.000 0.873 111 E CB 0.568 29.842 29.700 -0.710 0.000 1.029 111 E HN 0.382 nan 8.360 nan 0.000 0.419 112 R N 2.682 122.445 120.500 -1.228 0.000 2.294 112 R HA 0.399 4.738 4.340 -0.001 0.000 0.319 112 R C -0.377 175.863 176.300 -0.100 0.000 0.984 112 R CA -0.643 55.245 56.100 -0.353 0.000 0.861 112 R CB 1.465 31.802 30.300 0.061 0.000 1.104 112 R HN 0.561 nan 8.270 nan 0.000 0.451 113 A N 2.740 125.539 122.820 -0.035 0.000 2.425 113 A HA 0.125 4.444 4.320 -0.001 0.000 0.242 113 A C 0.142 177.788 177.584 0.102 0.000 1.077 113 A CA -0.271 51.781 52.037 0.024 0.000 0.781 113 A CB 0.165 19.156 19.000 -0.015 0.000 1.020 113 A HN 0.697 nan 8.150 nan 0.000 0.494 114 E N -0.027 120.245 120.200 0.120 0.000 2.415 114 E HA 0.350 4.699 4.350 -0.001 0.000 0.262 114 E C 1.094 177.761 176.600 0.112 0.000 1.038 114 E CA 1.169 57.657 56.400 0.147 0.000 0.921 114 E CB 0.271 30.047 29.700 0.127 0.000 0.950 114 E HN 1.320 nan 8.360 nan 0.000 0.438 115 G N 2.287 111.177 108.800 0.151 0.000 2.246 115 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.273 115 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.273 115 G C 0.440 175.374 174.900 0.057 0.000 1.055 115 G CA 0.504 45.680 45.100 0.127 0.000 0.851 115 G HN 0.425 nan 8.290 nan 0.000 0.500 116 S N -1.201 114.496 115.700 -0.004 0.000 2.578 116 S HA 0.441 4.910 4.470 -0.001 0.000 0.231 116 S C -0.081 174.149 174.600 -0.617 0.000 0.994 116 S CA 0.001 58.014 58.200 -0.312 0.000 0.956 116 S CB 0.409 63.342 63.200 -0.444 0.000 0.870 116 S HN 0.536 nan 8.310 nan 0.000 0.494 117 Y N 0.211 120.597 120.300 0.144 0.000 2.492 117 Y HA 0.611 5.160 4.550 -0.001 0.000 0.346 117 Y C -0.459 175.552 175.900 0.185 0.000 0.997 117 Y CA -1.107 57.084 58.100 0.151 0.000 1.025 117 Y CB 1.098 39.737 38.460 0.298 0.000 1.263 117 Y HN -0.059 nan 8.280 nan 0.000 0.454 118 I N 2.870 123.589 120.570 0.248 0.000 2.433 118 I HA 0.360 4.529 4.170 -0.001 0.000 0.292 118 I C -1.223 175.036 176.117 0.237 0.000 1.001 118 I CA -0.802 60.646 61.300 0.245 0.000 1.119 118 I CB 1.436 39.520 38.000 0.140 0.000 1.289 118 I HN 0.536 nan 8.210 nan 0.000 0.438 119 Y N 6.208 126.645 120.300 0.229 0.000 2.360 119 Y HA 0.588 5.137 4.550 -0.001 0.000 0.337 119 Y C -0.110 175.871 175.900 0.136 0.000 1.039 119 Y CA -0.631 57.595 58.100 0.211 0.000 1.109 119 Y CB 1.915 40.468 38.460 0.155 0.000 1.201 119 Y HN 0.389 nan 8.280 nan 0.000 0.458 120 I N 3.112 123.836 120.570 0.257 0.000 2.436 120 I HA 0.851 5.021 4.170 -0.001 0.000 0.289 120 I C -1.213 175.016 176.117 0.188 0.000 1.010 120 I CA -0.272 61.138 61.300 0.183 0.000 1.098 120 I CB 0.724 38.797 38.000 0.121 0.000 1.266 120 I HN 0.722 nan 8.210 nan 0.000 0.434 121 A N 8.061 130.969 122.820 0.145 0.000 2.602 121 A HA 0.849 5.168 4.320 -0.001 0.000 0.290 121 A C -2.971 174.617 177.584 0.007 0.000 1.114 121 A CA -1.348 50.751 52.037 0.104 0.000 0.683 121 A CB 1.558 20.620 19.000 0.103 0.000 1.281 121 A HN 0.448 nan 8.150 nan 0.000 0.416 122 P HA 0.029 nan 4.420 nan 0.000 0.268 122 P C -0.631 176.573 177.300 -0.159 0.000 1.208 122 P CA 0.057 62.894 63.100 -0.437 0.000 0.777 122 P CB 0.388 31.549 31.700 -0.898 0.000 0.875 123 N N 2.526 121.177 118.700 -0.080 0.000 3.245 123 N HA -0.008 4.731 4.740 -0.001 0.000 0.296 123 N C 0.145 175.642 175.510 -0.022 0.000 1.254 123 N CA -0.195 52.837 53.050 -0.030 0.000 1.190 123 N CB -1.249 37.242 38.487 0.007 0.000 1.460 123 N HN 0.287 nan 8.380 nan 0.000 0.538 124 N N -0.055 118.624 118.700 -0.035 0.000 2.241 124 N HA 0.204 4.943 4.740 -0.001 0.000 0.238 124 N C 0.905 176.448 175.510 0.055 0.000 1.244 124 N CA 0.109 53.162 53.050 0.006 0.000 0.880 124 N CB 0.196 38.677 38.487 -0.011 0.000 1.179 124 N HN 0.191 nan 8.380 nan 0.000 0.513 125 G N 0.371 109.193 108.800 0.037 0.000 2.195 125 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.246 125 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.246 125 G C 0.691 175.668 174.900 0.128 0.000 0.984 125 G CA 0.325 45.466 45.100 0.068 0.000 0.633 125 G HN 0.312 nan 8.290 nan 0.000 0.525 126 L N 0.657 121.947 121.223 0.111 0.000 2.089 126 L HA 0.090 4.429 4.340 -0.001 0.000 0.213 126 L C 2.389 179.306 176.870 0.078 0.000 1.079 126 L CA 2.472 57.393 54.840 0.135 0.000 0.758 126 L CB -0.248 41.859 42.059 0.079 0.000 0.891 126 L HN 0.459 nan 8.230 nan 0.000 0.433 127 L N -1.499 119.706 121.223 -0.030 0.000 2.627 127 L HA 0.011 4.350 4.340 -0.001 0.000 0.232 127 L C 1.869 178.619 176.870 -0.200 0.000 1.150 127 L CA 0.053 54.814 54.840 -0.130 0.000 0.917 127 L CB -0.902 41.060 42.059 -0.162 0.000 1.104 127 L HN 0.178 nan 8.230 nan 0.000 0.445 128 T N -0.313 114.070 114.554 -0.284 0.000 2.665 128 T HA -0.217 4.132 4.350 -0.001 0.000 0.268 128 T C 2.058 176.547 174.700 -0.351 0.000 1.035 128 T CA 2.364 64.180 62.100 -0.473 0.000 1.151 128 T CB -0.233 67.950 68.868 -1.141 0.000 0.862 128 T HN 0.582 nan 8.240 nan 0.000 0.438 129 T N 0.237 114.629 114.554 -0.270 0.000 2.942 129 T HA 0.039 4.388 4.350 -0.001 0.000 0.265 129 T C 2.058 176.690 174.700 -0.113 0.000 1.062 129 T CA 0.551 62.565 62.100 -0.144 0.000 1.139 129 T CB -0.769 68.088 68.868 -0.017 0.000 0.883 129 T HN 0.179 nan 8.240 nan 0.000 0.468 130 V N 2.030 121.869 119.914 -0.124 0.000 2.287 130 V HA -0.132 3.987 4.120 -0.001 0.000 0.248 130 V C 2.746 178.823 176.094 -0.029 0.000 1.053 130 V CA 1.817 64.056 62.300 -0.102 0.000 1.027 130 V CB -0.744 30.768 31.823 -0.519 0.000 0.646 130 V HN 0.481 nan 8.190 nan 0.000 0.447 131 L N -0.737 120.433 121.223 -0.089 0.000 2.109 131 L HA -0.138 4.202 4.340 -0.001 0.000 0.207 131 L C 2.509 179.382 176.870 0.005 0.000 1.086 131 L CA 1.444 56.292 54.840 0.013 0.000 0.760 131 L CB -0.629 41.431 42.059 0.002 0.000 0.910 131 L HN 0.362 nan 8.230 nan 0.000 0.437 132 E N 0.072 120.227 120.200 -0.076 0.000 2.072 132 E HA -0.209 4.141 4.350 -0.001 0.000 0.191 132 E C 2.071 178.595 176.600 -0.126 0.000 0.985 132 E CA 1.074 57.418 56.400 -0.094 0.000 0.801 132 E CB 0.108 29.736 29.700 -0.121 0.000 0.750 132 E HN 0.484 nan 8.360 nan 0.000 0.452 133 E N -0.667 119.413 120.200 -0.200 0.000 2.122 133 E HA -0.073 4.276 4.350 -0.001 0.000 0.190 133 E C 1.760 178.116 176.600 -0.406 0.000 0.977 133 E CA 0.557 56.743 56.400 -0.357 0.000 0.820 133 E CB 0.257 29.642 29.700 -0.525 0.000 0.770 133 E HN 0.364 nan 8.360 nan 0.000 0.462 134 H N -0.891 118.171 119.070 -0.013 0.000 2.639 134 H HA 0.216 4.771 4.556 -0.001 0.000 0.267 134 H C 1.133 176.496 175.328 0.059 0.000 0.958 134 H CA 0.769 56.837 56.048 0.034 0.000 1.221 134 H CB 0.971 30.770 29.762 0.063 0.000 1.446 134 H HN 0.175 nan 8.280 nan 0.000 0.512 135 G N 1.221 110.106 108.800 0.142 0.000 2.855 135 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.352 135 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.352 135 G C -0.809 174.232 174.900 0.234 0.000 1.415 135 G CA -0.065 45.105 45.100 0.116 0.000 0.871 135 G HN 0.568 nan 8.290 nan 0.000 0.543 136 Y N -2.980 117.351 120.300 0.051 0.000 2.597 136 Y HA 0.766 5.316 4.550 -0.001 0.000 0.340 136 Y C 0.592 176.523 175.900 0.050 0.000 1.097 136 Y CA -1.295 56.843 58.100 0.063 0.000 1.037 136 Y CB 0.941 39.425 38.460 0.041 0.000 1.305 136 Y HN 0.467 nan 8.280 nan 0.000 0.463 137 L N 0.824 122.167 121.223 0.201 0.000 2.470 137 L HA 0.310 4.649 4.340 -0.001 0.000 0.219 137 L C -0.323 176.626 176.870 0.132 0.000 1.071 137 L CA 0.553 55.450 54.840 0.094 0.000 0.850 137 L CB 0.275 42.403 42.059 0.115 0.000 1.040 137 L HN 0.875 nan 8.230 nan 0.000 0.475 138 E N -0.611 119.762 120.200 0.287 0.000 2.388 138 E HA 0.657 5.006 4.350 -0.001 0.000 0.282 138 E C -1.492 175.143 176.600 0.058 0.000 1.026 138 E CA -0.880 55.603 56.400 0.139 0.000 0.820 138 E CB 1.823 31.599 29.700 0.127 0.000 1.226 138 E HN -0.082 nan 8.360 nan 0.000 0.432 139 A N 1.896 124.538 122.820 -0.297 0.000 2.455 139 A HA 0.741 5.060 4.320 -0.001 0.000 0.300 139 A C -1.983 175.269 177.584 -0.553 0.000 1.040 139 A CA -0.637 51.213 52.037 -0.313 0.000 0.697 139 A CB 1.001 19.796 19.000 -0.343 0.000 1.265 139 A HN 0.522 nan 8.150 nan 0.000 0.407 140 Y N 0.054 120.362 120.300 0.014 0.000 2.492 140 Y HA 0.473 5.023 4.550 -0.001 0.000 0.346 140 Y C 0.202 176.112 175.900 0.017 0.000 0.997 140 Y CA -0.629 57.487 58.100 0.026 0.000 1.025 140 Y CB 1.911 40.400 38.460 0.050 0.000 1.263 140 Y HN 0.771 nan 8.280 nan 0.000 0.454 141 E N 1.693 121.994 120.200 0.168 0.000 2.316 141 E HA 0.330 4.679 4.350 -0.001 0.000 0.275 141 E C -1.177 175.490 176.600 0.111 0.000 1.029 141 E CA -0.333 56.131 56.400 0.108 0.000 0.871 141 E CB 0.901 30.648 29.700 0.078 0.000 1.022 141 E HN 0.461 nan 8.360 nan 0.000 0.418 142 V N 5.452 125.414 119.914 0.081 0.000 2.339 142 V HA 0.087 4.206 4.120 -0.001 0.000 0.261 142 V C 1.025 177.122 176.094 0.006 0.000 1.058 142 V CA 0.404 62.729 62.300 0.041 0.000 0.897 142 V CB 0.486 32.330 31.823 0.034 0.000 1.052 142 V HN 0.917 nan 8.190 nan 0.000 0.480 143 T N -0.582 113.968 114.554 -0.007 0.000 2.992 143 T HA 0.109 4.458 4.350 -0.001 0.000 0.255 143 T C 0.940 175.612 174.700 -0.046 0.000 0.938 143 T CA 0.379 62.468 62.100 -0.018 0.000 0.895 143 T CB 0.324 69.200 68.868 0.014 0.000 1.221 143 T HN 0.463 nan 8.240 nan 0.000 0.512 144 S N 4.063 119.728 115.700 -0.058 0.000 2.525 144 S HA 0.229 4.698 4.470 -0.001 0.000 0.285 144 S C -1.274 173.236 174.600 -0.150 0.000 1.283 144 S CA -1.145 57.007 58.200 -0.079 0.000 1.072 144 S CB 0.906 64.076 63.200 -0.051 0.000 0.867 144 S HN 0.212 nan 8.310 nan 0.000 0.492 145 P HA -0.004 nan 4.420 nan 0.000 0.239 145 P C 0.303 177.491 177.300 -0.186 0.000 1.184 145 P CA 0.663 63.685 63.100 -0.130 0.000 0.760 145 P CB 0.052 31.706 31.700 -0.076 0.000 0.884 146 K N -0.042 120.214 120.400 -0.240 0.000 2.296 146 K HA 0.002 4.321 4.320 -0.001 0.000 0.200 146 K C 1.798 177.917 176.600 -0.803 0.000 1.048 146 K CA 1.183 57.254 56.287 -0.359 0.000 0.966 146 K CB -0.061 32.336 32.500 -0.171 0.000 0.754 146 K HN 0.164 nan 8.250 nan 0.000 0.466 147 V N -1.828 117.626 119.914 -0.766 0.000 3.562 147 V HA 0.296 4.415 4.120 -0.001 0.000 0.270 147 V C 0.476 176.351 176.094 -0.366 0.000 1.418 147 V CA -0.489 61.296 62.300 -0.859 0.000 1.033 147 V CB -0.287 31.047 31.823 -0.814 0.000 0.820 147 V HN 0.155 nan 8.190 nan 0.000 0.441 148 I N -2.398 118.008 120.570 -0.274 0.000 2.957 148 I HA 0.815 4.984 4.170 -0.001 0.000 0.310 148 I C -2.938 173.089 176.117 -0.151 0.000 1.063 148 I CA -2.851 58.339 61.300 -0.183 0.000 1.033 148 I CB 1.641 39.532 38.000 -0.181 0.000 1.230 148 I HN -0.180 nan 8.210 nan 0.000 0.447 149 P HA 0.181 nan 4.420 nan 0.000 0.271 149 P C -0.195 177.054 177.300 -0.085 0.000 1.218 149 P CA -0.038 63.004 63.100 -0.097 0.000 0.780 149 P CB 0.713 32.359 31.700 -0.090 0.000 0.901 150 E N 0.666 120.830 120.200 -0.060 0.000 2.204 150 E HA -0.147 4.202 4.350 -0.001 0.000 0.194 150 E C 0.211 176.794 176.600 -0.028 0.000 0.989 150 E CA 1.068 57.443 56.400 -0.043 0.000 0.824 150 E CB 0.111 29.793 29.700 -0.031 0.000 0.756 150 E HN 0.526 nan 8.360 nan 0.000 0.477 151 Q N 1.076 120.862 119.800 -0.022 0.000 2.932 151 Q HA 0.247 4.586 4.340 -0.001 0.000 0.248 151 Q C -2.480 173.521 176.000 0.002 0.000 0.982 151 Q CA -1.595 54.208 55.803 -0.001 0.000 0.730 151 Q CB 1.590 30.332 28.738 0.007 0.000 1.249 151 Q HN 0.070 nan 8.270 nan 0.000 0.476 152 P HA 0.067 nan 4.420 nan 0.000 0.275 152 P C -0.230 177.137 177.300 0.112 0.000 1.228 152 P CA -0.387 62.712 63.100 -0.002 0.000 0.786 152 P CB 0.940 32.556 31.700 -0.139 0.000 0.927 153 E N 3.901 124.174 120.200 0.122 0.000 2.493 153 E HA -0.016 4.333 4.350 -0.001 0.000 0.255 153 E C -1.574 175.175 176.600 0.250 0.000 0.999 153 E CA -1.133 55.371 56.400 0.173 0.000 0.934 153 E CB -0.003 29.821 29.700 0.207 0.000 0.940 153 E HN 0.270 nan 8.360 nan 0.000 0.473 154 P HA -0.162 nan 4.420 nan 0.000 0.216 154 P C 0.660 177.913 177.300 -0.079 0.000 1.153 154 P CA 1.748 64.865 63.100 0.027 0.000 0.858 154 P CB 0.123 31.821 31.700 -0.004 0.000 0.789 155 T N -6.362 108.209 114.554 0.028 0.000 3.105 155 T HA 0.180 4.530 4.350 -0.001 0.000 0.253 155 T C 0.238 175.002 174.700 0.106 0.000 1.047 155 T CA -0.126 61.976 62.100 0.002 0.000 0.944 155 T CB -0.594 68.265 68.868 -0.014 0.000 1.016 155 T HN -0.152 nan 8.240 nan 0.000 0.544 156 F N 1.630 121.622 119.950 0.069 0.000 2.623 156 F HA 0.470 4.996 4.527 -0.002 0.000 0.361 156 F C -0.134 175.767 175.800 0.168 0.000 1.469 156 F CA -2.785 55.282 58.000 0.111 0.000 1.126 156 F CB 0.007 39.062 39.000 0.091 0.000 1.221 156 F HN 0.007 nan 8.300 nan 0.000 0.536 157 Y N -0.277 120.060 120.300 0.061 0.000 2.421 157 Y HA -0.106 4.443 4.550 -0.001 0.000 0.292 157 Y C 2.458 178.306 175.900 -0.086 0.000 1.136 157 Y CA 0.977 58.906 58.100 -0.285 0.000 1.255 157 Y CB -0.746 37.111 38.460 -1.005 0.000 0.991 157 Y HN 0.122 nan 8.280 nan 0.000 0.552 158 S N -0.474 115.476 115.700 0.417 0.000 2.399 158 S HA -0.195 4.274 4.470 -0.001 0.000 0.231 158 S C 2.158 176.911 174.600 0.255 0.000 1.022 158 S CA 1.302 59.805 58.200 0.506 0.000 0.983 158 S CB -0.069 63.495 63.200 0.607 0.000 0.803 158 S HN 0.451 nan 8.310 nan 0.000 0.480 159 R N 0.963 121.426 120.500 -0.061 0.000 2.057 159 R HA 0.010 4.349 4.340 -0.001 0.000 0.224 159 R C 1.935 178.081 176.300 -0.257 0.000 1.136 159 R CA 0.948 56.800 56.100 -0.413 0.000 0.968 159 R CB -0.072 29.487 30.300 -1.234 0.000 0.863 159 R HN 0.223 nan 8.270 nan 0.000 0.433 160 E N 0.247 120.311 120.200 -0.227 0.000 2.077 160 E HA -0.155 4.195 4.350 -0.001 0.000 0.193 160 E C 1.598 178.070 176.600 -0.213 0.000 0.989 160 E CA 1.138 57.405 56.400 -0.220 0.000 0.800 160 E CB 0.105 29.653 29.700 -0.253 0.000 0.746 160 E HN 0.373 nan 8.360 nan 0.000 0.452 161 M N -0.395 119.098 119.600 -0.178 0.000 2.306 161 M HA 0.144 4.624 4.480 -0.001 0.000 0.292 161 M C 1.409 177.757 176.300 0.081 0.000 1.018 161 M CA 0.069 55.304 55.300 -0.109 0.000 1.007 161 M CB 1.056 33.533 32.600 -0.204 0.000 1.510 161 M HN -0.105 nan 8.290 nan 0.000 0.537 162 V N -0.936 119.031 119.914 0.088 0.000 3.449 162 V HA 0.301 4.420 4.120 -0.001 0.000 0.208 162 V C 2.221 178.306 176.094 -0.016 0.000 1.269 162 V CA 1.024 63.395 62.300 0.117 0.000 1.301 162 V CB -0.728 31.252 31.823 0.262 0.000 1.306 162 V HN 0.263 nan 8.190 nan 0.000 0.531 163 A N 0.583 123.349 122.820 -0.089 0.000 1.859 163 A HA -0.206 4.114 4.320 -0.001 0.000 0.217 163 A C 2.109 179.551 177.584 -0.237 0.000 1.198 163 A CA 2.410 54.272 52.037 -0.290 0.000 0.629 163 A CB -0.720 18.067 19.000 -0.354 0.000 0.830 163 A HN 0.479 nan 8.150 nan 0.000 0.446 164 I N 0.235 120.698 120.570 -0.179 0.000 2.099 164 I HA -0.195 3.974 4.170 -0.001 0.000 0.239 164 I C -0.507 175.581 176.117 -0.047 0.000 1.066 164 I CA 1.869 63.090 61.300 -0.132 0.000 1.324 164 I CB -1.158 36.779 38.000 -0.105 0.000 1.037 164 I HN 0.264 nan 8.210 nan 0.000 0.401 165 P HA -0.127 nan 4.420 nan 0.000 0.220 165 P C 1.732 179.019 177.300 -0.022 0.000 1.148 165 P CA 1.703 64.796 63.100 -0.012 0.000 0.803 165 P CB -0.225 31.439 31.700 -0.059 0.000 0.782 166 S N -0.069 115.592 115.700 -0.066 0.000 2.399 166 S HA -0.107 4.362 4.470 -0.001 0.000 0.231 166 S C 2.070 176.596 174.600 -0.125 0.000 1.022 166 S CA 1.226 59.374 58.200 -0.086 0.000 0.983 166 S CB -1.304 61.822 63.200 -0.124 0.000 0.803 166 S HN 0.132 nan 8.310 nan 0.000 0.480 167 A N 1.261 123.973 122.820 -0.180 0.000 2.016 167 A HA 0.037 4.356 4.320 -0.001 0.000 0.217 167 A C 2.097 179.539 177.584 -0.235 0.000 1.162 167 A CA 0.932 52.824 52.037 -0.242 0.000 0.662 167 A CB -0.868 17.941 19.000 -0.318 0.000 0.812 167 A HN 0.682 nan 8.150 nan 0.000 0.450 168 H N 0.020 119.015 119.070 -0.125 0.000 2.357 168 H HA -0.016 4.540 4.556 -0.001 0.000 0.301 168 H C 2.008 177.336 175.328 0.000 0.000 1.082 168 H CA 1.644 57.636 56.048 -0.093 0.000 1.342 168 H CB -0.185 29.436 29.762 -0.236 0.000 1.389 168 H HN 0.413 nan 8.280 nan 0.000 0.511 169 L N 0.137 121.419 121.223 0.098 0.000 2.046 169 L HA -0.131 4.208 4.340 -0.001 0.000 0.208 169 L C 2.915 179.797 176.870 0.020 0.000 1.077 169 L CA 0.907 55.797 54.840 0.083 0.000 0.747 169 L CB -0.479 41.608 42.059 0.048 0.000 0.896 169 L HN 0.191 nan 8.230 nan 0.000 0.432 170 A N 0.082 122.877 122.820 -0.041 0.000 1.933 170 A HA -0.145 4.174 4.320 -0.001 0.000 0.218 170 A C 2.414 179.971 177.584 -0.045 0.000 1.175 170 A CA 1.708 53.703 52.037 -0.071 0.000 0.628 170 A CB -0.609 18.316 19.000 -0.125 0.000 0.814 170 A HN 0.401 nan 8.150 nan 0.000 0.444 171 A N -2.217 120.585 122.820 -0.031 0.000 2.167 171 A HA 0.399 4.718 4.320 -0.001 0.000 0.214 171 A C 1.730 179.336 177.584 0.037 0.000 1.151 171 A CA 1.393 53.425 52.037 -0.008 0.000 0.735 171 A CB -0.637 18.348 19.000 -0.026 0.000 0.802 171 A HN 1.848 nan 8.150 nan 0.000 0.467 172 G N -2.256 106.580 108.800 0.060 0.000 2.175 172 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.182 172 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.182 172 G C 0.025 174.969 174.900 0.074 0.000 1.003 172 G CA -0.139 44.989 45.100 0.047 0.000 0.666 172 G HN 0.576 nan 8.290 nan 0.000 0.506 173 F N 3.031 122.982 119.950 0.001 0.000 2.543 173 F HA 0.510 5.036 4.527 -0.001 0.000 0.375 173 F C -1.534 174.241 175.800 -0.041 0.000 1.075 173 F CA -1.564 56.430 58.000 -0.011 0.000 1.225 173 F CB 0.734 39.741 39.000 0.012 0.000 1.099 173 F HN -0.032 nan 8.300 nan 0.000 0.561 174 P HA -0.049 nan 4.420 nan 0.000 0.267 174 P C 0.544 177.749 177.300 -0.159 0.000 1.209 174 P CA 0.002 62.937 63.100 -0.275 0.000 0.763 174 P CB 0.791 32.262 31.700 -0.382 0.000 0.816 175 L N 4.497 125.672 121.223 -0.080 0.000 2.043 175 L HA -0.240 4.100 4.340 -0.001 0.000 0.212 175 L C 2.029 178.630 176.870 -0.449 0.000 1.075 175 L CA 2.537 57.320 54.840 -0.095 0.000 0.752 175 L CB -1.244 40.812 42.059 -0.004 0.000 0.891 175 L HN 0.400 nan 8.230 nan 0.000 0.432 176 S N -1.675 113.676 115.700 -0.582 0.000 2.469 176 S HA -0.169 4.300 4.470 -0.001 0.000 0.238 176 S C 1.599 175.901 174.600 -0.496 0.000 0.998 176 S CA 1.221 58.879 58.200 -0.903 0.000 0.957 176 S CB -0.677 62.300 63.200 -0.373 0.000 0.764 176 S HN 0.697 nan 8.310 nan 0.000 0.514 177 E N 0.890 120.923 120.200 -0.277 0.000 2.474 177 E HA 0.051 4.400 4.350 -0.001 0.000 0.194 177 E C 1.896 178.609 176.600 0.188 0.000 1.041 177 E CA 0.551 56.898 56.400 -0.090 0.000 0.874 177 E CB 0.174 29.675 29.700 -0.331 0.000 0.914 177 E HN 0.650 nan 8.360 nan 0.000 0.498 178 V N -2.125 117.877 119.914 0.147 0.000 2.809 178 V HA 0.180 4.299 4.120 -0.001 0.000 0.256 178 V C 0.857 176.986 176.094 0.059 0.000 1.080 178 V CA 1.038 63.407 62.300 0.114 0.000 1.102 178 V CB -0.280 31.574 31.823 0.053 0.000 0.705 178 V HN 0.172 nan 8.190 nan 0.000 0.475 179 G N 0.480 109.320 108.800 0.067 0.000 2.324 179 G HA2 0.325 4.284 3.960 -0.001 0.000 0.293 179 G HA3 0.325 4.284 3.960 -0.001 0.000 0.293 179 G C -0.599 174.403 174.900 0.170 0.000 1.297 179 G CA -0.736 44.421 45.100 0.096 0.000 0.853 179 G HN 0.804 nan 8.290 nan 0.000 0.535 180 R N -0.193 120.397 120.500 0.150 0.000 2.734 180 R HA 0.453 4.792 4.340 -0.001 0.000 0.266 180 R C -2.506 173.929 176.300 0.225 0.000 1.044 180 R CA -0.700 55.501 56.100 0.169 0.000 1.128 180 R CB -0.092 30.265 30.300 0.095 0.000 1.010 180 R HN 0.251 nan 8.270 nan 0.000 0.461 181 P HA 0.058 nan 4.420 nan 0.000 0.271 181 P C -0.760 176.499 177.300 -0.069 0.000 1.216 181 P CA -0.065 62.996 63.100 -0.065 0.000 0.776 181 P CB 0.572 32.217 31.700 -0.091 0.000 0.881 182 L N 2.540 123.683 121.223 -0.134 0.000 2.307 182 L HA 0.334 4.673 4.340 -0.001 0.000 0.282 182 L C 0.987 177.782 176.870 -0.124 0.000 1.051 182 L CA -0.574 54.197 54.840 -0.115 0.000 0.804 182 L CB 0.703 42.693 42.059 -0.115 0.000 1.197 182 L HN 0.315 nan 8.230 nan 0.000 0.431 183 E N 0.886 120.992 120.200 -0.156 0.000 2.373 183 E HA -0.037 4.313 4.350 -0.001 0.000 0.263 183 E C 0.131 176.624 176.600 -0.179 0.000 1.073 183 E CA -0.251 56.060 56.400 -0.148 0.000 0.894 183 E CB 1.241 30.844 29.700 -0.162 0.000 1.008 183 E HN 0.575 nan 8.360 nan 0.000 0.420 184 D N 1.084 121.472 120.400 -0.019 0.000 2.116 184 D HA -0.252 4.387 4.640 -0.001 0.000 0.193 184 D C 1.734 178.031 176.300 -0.005 0.000 0.998 184 D CA 1.576 55.616 54.000 0.066 0.000 0.836 184 D CB 0.070 40.949 40.800 0.132 0.000 0.951 184 D HN 0.649 nan 8.370 nan 0.000 0.449 185 H N -0.358 118.729 119.070 0.028 0.000 2.561 185 H HA 0.040 4.595 4.556 -0.001 0.000 0.278 185 H C 0.989 176.321 175.328 0.007 0.000 1.014 185 H CA 0.952 57.008 56.048 0.013 0.000 1.211 185 H CB -0.145 29.624 29.762 0.011 0.000 1.365 185 H HN 0.378 nan 8.280 nan 0.000 0.594 186 E N 0.924 120.882 120.200 -0.403 0.000 2.474 186 E HA 0.184 4.533 4.350 -0.001 0.000 0.194 186 E C 0.155 176.690 176.600 -0.110 0.000 1.041 186 E CA -0.131 56.130 56.400 -0.232 0.000 0.874 186 E CB 0.523 30.057 29.700 -0.276 0.000 0.914 186 E HN 0.494 nan 8.360 nan 0.000 0.498 187 I N 2.234 122.740 120.570 -0.106 0.000 2.312 187 I HA 0.075 4.244 4.170 -0.001 0.000 0.291 187 I C 0.099 176.181 176.117 -0.058 0.000 1.031 187 I CA -0.651 60.592 61.300 -0.095 0.000 1.293 187 I CB 1.181 39.089 38.000 -0.153 0.000 1.403 187 I HN -0.242 nan 8.210 nan 0.000 0.484 188 V N 7.334 127.224 119.914 -0.039 0.000 2.843 188 V HA 0.207 4.326 4.120 -0.001 0.000 0.305 188 V C 0.482 176.550 176.094 -0.044 0.000 1.065 188 V CA 0.032 62.322 62.300 -0.016 0.000 1.116 188 V CB 0.526 32.354 31.823 0.009 0.000 0.968 188 V HN 0.728 nan 8.190 nan 0.000 0.487 189 R N 2.385 122.861 120.500 -0.040 0.000 2.740 189 R HA 0.585 4.924 4.340 -0.001 0.000 0.273 189 R C -1.082 175.199 176.300 -0.033 0.000 0.998 189 R CA -0.665 55.364 56.100 -0.119 0.000 0.900 189 R CB 2.153 32.357 30.300 -0.159 0.000 1.223 189 R HN 0.654 nan 8.270 nan 0.000 0.466 190 F N -0.473 119.470 119.950 -0.011 0.000 2.377 190 F HA 0.503 5.029 4.527 -0.001 0.000 0.328 190 F C -0.096 175.699 175.800 -0.008 0.000 1.094 190 F CA -1.207 56.788 58.000 -0.008 0.000 1.093 190 F CB 0.587 39.582 39.000 -0.010 0.000 1.214 190 F HN 0.151 nan 8.300 nan 0.000 0.518 191 N N 2.465 121.345 118.700 0.300 0.000 2.411 191 N HA 0.164 4.903 4.740 -0.001 0.000 0.259 191 N C -0.524 175.152 175.510 0.278 0.000 1.103 191 N CA -0.188 52.977 53.050 0.192 0.000 0.954 191 N CB 0.786 39.340 38.487 0.112 0.000 1.085 191 N HN 0.579 nan 8.380 nan 0.000 0.485 192 R N 2.867 123.494 120.500 0.213 0.000 2.298 192 R HA 0.220 4.560 4.340 -0.001 0.000 0.310 192 R C -1.858 174.504 176.300 0.103 0.000 1.068 192 R CA -1.192 55.029 56.100 0.203 0.000 0.957 192 R CB 0.408 30.794 30.300 0.144 0.000 1.003 192 R HN 0.395 nan 8.270 nan 0.000 0.454 193 P HA 0.043 nan 4.420 nan 0.000 0.267 193 P C -1.135 176.190 177.300 0.043 0.000 1.205 193 P CA -0.140 62.987 63.100 0.046 0.000 0.765 193 P CB 1.038 32.754 31.700 0.027 0.000 0.828 194 A N 3.702 126.542 122.820 0.033 0.000 2.327 194 A HA 0.356 4.675 4.320 -0.001 0.000 0.283 194 A C 0.165 177.766 177.584 0.028 0.000 1.127 194 A CA -0.680 51.375 52.037 0.028 0.000 0.810 194 A CB 0.505 19.517 19.000 0.019 0.000 1.066 194 A HN 0.415 nan 8.150 nan 0.000 0.492 195 V N 3.676 123.609 119.914 0.032 0.000 2.521 195 V HA 0.107 4.226 4.120 -0.001 0.000 0.286 195 V C 0.285 176.390 176.094 0.018 0.000 1.034 195 V CA 0.023 62.342 62.300 0.031 0.000 1.045 195 V CB 0.507 32.354 31.823 0.040 0.000 0.974 195 V HN 0.864 nan 8.190 nan 0.000 0.480 196 E N 4.037 124.247 120.200 0.016 0.000 2.216 196 E HA 0.278 4.627 4.350 -0.001 0.000 0.279 196 E C -0.432 176.173 176.600 0.007 0.000 0.997 196 E CA -0.497 55.909 56.400 0.010 0.000 0.817 196 E CB 1.995 31.701 29.700 0.010 0.000 1.096 196 E HN 0.652 nan 8.360 nan 0.000 0.393 197 Q N 2.178 121.980 119.800 0.003 0.000 2.349 197 Q HA 0.101 4.441 4.340 -0.001 0.000 0.254 197 Q C -1.164 174.836 176.000 0.001 0.000 0.980 197 Q CA -0.283 55.520 55.803 0.000 0.000 0.924 197 Q CB 0.566 29.302 28.738 -0.004 0.000 1.209 197 Q HN 0.276 nan 8.270 nan 0.000 0.445 198 D N 4.006 124.407 120.400 0.002 0.000 2.458 198 D HA 0.404 5.044 4.640 -0.001 0.000 0.258 198 D C 0.581 176.882 176.300 0.001 0.000 1.134 198 D CA 0.789 54.790 54.000 0.002 0.000 0.915 198 D CB 0.169 40.972 40.800 0.004 0.000 1.028 198 D HN 0.791 nan 8.370 nan 0.000 0.508 199 G N 3.643 112.443 108.800 -0.001 0.000 2.559 199 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.282 199 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.282 199 G C 0.730 175.628 174.900 -0.004 0.000 1.177 199 G CA 0.171 45.269 45.100 -0.002 0.000 0.960 199 G HN 0.454 nan 8.290 nan 0.000 0.540 200 E N 1.497 121.695 120.200 -0.004 0.000 2.526 200 E HA 0.522 4.871 4.350 -0.001 0.000 0.208 200 E C 1.276 177.873 176.600 -0.005 0.000 0.997 200 E CA 0.696 57.093 56.400 -0.006 0.000 0.961 200 E CB 0.747 30.443 29.700 -0.006 0.000 1.030 200 E HN 0.908 nan 8.360 nan 0.000 0.483 201 A N 1.043 123.862 122.820 -0.002 0.000 2.322 201 A HA 0.539 4.858 4.320 -0.001 0.000 0.269 201 A C -0.096 177.488 177.584 0.001 0.000 1.094 201 A CA -0.276 51.761 52.037 0.001 0.000 0.807 201 A CB 0.353 19.356 19.000 0.005 0.000 1.047 201 A HN 0.140 nan 8.150 nan 0.000 0.487 202 L N 1.959 123.183 121.223 0.002 0.000 2.296 202 L HA 0.492 4.831 4.340 -0.001 0.000 0.286 202 L C -0.867 176.010 176.870 0.012 0.000 1.023 202 L CA -0.727 54.116 54.840 0.005 0.000 0.812 202 L CB 1.774 43.834 42.059 0.001 0.000 1.223 202 L HN 0.401 nan 8.230 nan 0.000 0.421 203 V N 2.764 122.687 119.914 0.015 0.000 2.357 203 V HA 0.748 4.867 4.120 -0.001 0.000 0.284 203 V C 0.445 176.553 176.094 0.024 0.000 1.018 203 V CA -0.176 62.135 62.300 0.019 0.000 0.841 203 V CB 1.060 32.893 31.823 0.016 0.000 0.991 203 V HN 0.969 nan 8.190 nan 0.000 0.437 204 G N 3.087 111.904 108.800 0.028 0.000 3.253 204 G HA2 0.739 4.698 3.960 -0.001 0.000 0.175 204 G HA3 0.739 4.698 3.960 -0.001 0.000 0.175 204 G C -1.086 173.831 174.900 0.028 0.000 1.098 204 G CA -0.301 44.818 45.100 0.032 0.000 0.790 204 G HN 0.746 nan 8.290 nan 0.000 0.648 205 V N -0.741 119.189 119.914 0.027 0.000 3.120 205 V HA 0.542 4.661 4.120 -0.001 0.000 0.303 205 V C -0.880 175.227 176.094 0.021 0.000 1.238 205 V CA -0.728 61.585 62.300 0.021 0.000 1.008 205 V CB 2.042 33.872 31.823 0.010 0.000 1.064 205 V HN 0.604 nan 8.190 nan 0.000 0.434 206 V N 5.295 125.224 119.914 0.024 0.000 2.450 206 V HA 0.154 4.273 4.120 -0.001 0.000 0.281 206 V C 1.608 177.706 176.094 0.008 0.000 1.019 206 V CA 1.141 63.457 62.300 0.026 0.000 1.062 206 V CB 0.642 32.482 31.823 0.028 0.000 0.979 206 V HN 1.142 nan 8.190 nan 0.000 0.477 207 S N 3.925 119.631 115.700 0.010 0.000 2.425 207 S HA 0.371 4.840 4.470 -0.001 0.000 0.225 207 S C 0.689 175.279 174.600 -0.017 0.000 1.024 207 S CA 0.447 58.634 58.200 -0.023 0.000 0.951 207 S CB 0.248 63.405 63.200 -0.073 0.000 0.796 207 S HN 1.318 nan 8.310 nan 0.000 0.498 208 A N 0.492 123.318 122.820 0.010 0.000 2.594 208 A HA 0.617 4.936 4.320 -0.001 0.000 0.296 208 A C -1.097 176.366 177.584 -0.201 0.000 1.061 208 A CA -0.840 51.145 52.037 -0.086 0.000 0.689 208 A CB 0.738 19.680 19.000 -0.096 0.000 1.280 208 A HN 0.232 nan 8.150 nan 0.000 0.406 209 I N 1.699 122.089 120.570 -0.301 0.000 2.365 209 I HA 0.234 4.403 4.170 -0.001 0.000 0.291 209 I C -0.188 175.437 176.117 -0.821 0.000 1.004 209 I CA -0.072 60.933 61.300 -0.492 0.000 1.311 209 I CB 1.321 39.068 38.000 -0.421 0.000 1.401 209 I HN 0.739 nan 8.210 nan 0.000 0.491 210 D N 6.249 126.172 120.400 -0.794 0.000 2.494 210 D HA 0.108 4.747 4.640 -0.001 0.000 0.217 210 D C 0.090 176.127 176.300 -0.438 0.000 1.153 210 D CA -0.194 53.340 54.000 -0.777 0.000 0.954 210 D CB 0.109 40.479 40.800 -0.716 0.000 1.034 210 D HN 0.253 nan 8.370 nan 0.000 0.518 211 H N 3.387 122.333 119.070 -0.207 0.000 2.732 211 H HA 0.170 4.725 4.556 -0.001 0.000 0.351 211 H C -1.423 173.664 175.328 -0.401 0.000 1.090 211 H CA -1.314 54.636 56.048 -0.163 0.000 1.431 211 H CB 0.839 30.539 29.762 -0.103 0.000 1.447 211 H HN 0.422 nan 8.280 nan 0.000 0.582 212 P HA 0.074 nan 4.420 nan 0.000 0.261 212 P C 0.458 177.642 177.300 -0.193 0.000 1.352 212 P CA 0.203 63.124 63.100 -0.299 0.000 0.891 212 P CB 0.023 31.493 31.700 -0.384 0.000 1.383 213 F N 0.232 120.218 119.950 0.060 0.000 2.473 213 F HA 0.332 4.858 4.527 -0.001 0.000 0.294 213 F C 1.929 177.591 175.800 -0.231 0.000 1.103 213 F CA 0.770 58.738 58.000 -0.053 0.000 1.442 213 F CB -1.111 37.809 39.000 -0.132 0.000 1.097 213 F HN 0.084 nan 8.300 nan 0.000 0.547 214 G N 0.821 109.402 108.800 -0.365 0.000 2.149 214 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.235 214 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.235 214 G C -0.115 174.553 174.900 -0.386 0.000 1.018 214 G CA -0.250 44.299 45.100 -0.919 0.000 0.728 214 G HN 0.279 nan 8.290 nan 0.000 0.508 215 N N -0.576 118.040 118.700 -0.140 0.000 2.503 215 N HA 0.427 5.166 4.740 -0.001 0.000 0.267 215 N C 0.167 175.656 175.510 -0.035 0.000 1.214 215 N CA -0.081 53.001 53.050 0.053 0.000 0.959 215 N CB 1.712 40.402 38.487 0.338 0.000 1.142 215 N HN 0.095 nan 8.380 nan 0.000 0.455 216 V N 2.131 122.097 119.914 0.087 0.000 2.370 216 V HA 0.255 4.375 4.120 -0.001 0.000 0.283 216 V C -0.699 175.542 176.094 0.246 0.000 1.023 216 V CA -0.727 61.603 62.300 0.051 0.000 0.857 216 V CB 0.558 32.375 31.823 -0.009 0.000 0.985 216 V HN 0.516 nan 8.190 nan 0.000 0.443 217 W N 3.393 124.652 121.300 -0.068 0.000 2.433 217 W HA 0.637 5.296 4.660 -0.001 0.000 0.315 217 W C 0.661 177.123 176.519 -0.095 0.000 1.087 217 W CA -0.957 56.337 57.345 -0.086 0.000 1.205 217 W CB 1.522 30.937 29.460 -0.075 0.000 1.288 217 W HN 0.648 nan 8.180 nan 0.000 0.504 218 T N -0.510 114.100 114.554 0.093 0.000 2.948 218 T HA 0.244 4.593 4.350 -0.001 0.000 0.285 218 T C 0.736 175.437 174.700 0.001 0.000 1.019 218 T CA -0.779 61.346 62.100 0.042 0.000 1.013 218 T CB 1.358 70.248 68.868 0.037 0.000 1.117 218 T HN 0.399 nan 8.240 nan 0.000 0.533 219 N N 0.506 119.213 118.700 0.011 0.000 2.370 219 N HA 0.068 4.808 4.740 -0.001 0.000 0.198 219 N C -0.164 175.510 175.510 0.274 0.000 1.156 219 N CA -0.273 52.795 53.050 0.030 0.000 0.839 219 N CB -0.492 37.995 38.487 -0.001 0.000 0.989 219 N HN 0.700 nan 8.380 nan 0.000 0.468 220 I N 1.562 122.275 120.570 0.240 0.000 2.301 220 I HA 0.092 4.261 4.170 -0.001 0.000 0.292 220 I C 0.334 176.550 176.117 0.164 0.000 1.046 220 I CA -0.587 60.814 61.300 0.168 0.000 1.282 220 I CB 0.127 38.162 38.000 0.059 0.000 1.409 220 I HN 0.087 nan 8.210 nan 0.000 0.484 221 H N 5.607 124.643 119.070 -0.056 0.000 2.508 221 H HA 0.255 4.810 4.556 -0.001 0.000 0.358 221 H C 1.315 176.468 175.328 -0.292 0.000 1.212 221 H CA -0.439 55.377 56.048 -0.387 0.000 1.356 221 H CB 0.999 30.457 29.762 -0.506 0.000 1.525 221 H HN 0.533 nan 8.280 nan 0.000 0.578 222 R N 0.025 120.010 120.500 -0.857 0.000 2.127 222 R HA -0.145 4.194 4.340 -0.001 0.000 0.238 222 R C 1.495 177.641 176.300 -0.257 0.000 1.134 222 R CA 1.851 57.639 56.100 -0.521 0.000 0.975 222 R CB -0.912 29.037 30.300 -0.586 0.000 0.865 222 R HN 0.692 nan 8.270 nan 0.000 0.447 223 T N -0.840 113.666 114.554 -0.081 0.000 2.777 223 T HA -0.114 4.235 4.350 -0.001 0.000 0.266 223 T C 1.403 176.078 174.700 -0.042 0.000 1.040 223 T CA 1.300 63.390 62.100 -0.017 0.000 1.141 223 T CB -0.315 68.581 68.868 0.047 0.000 0.868 223 T HN 0.170 nan 8.240 nan 0.000 0.444 224 D N 1.397 121.781 120.400 -0.026 0.000 2.178 224 D HA 0.004 4.643 4.640 -0.001 0.000 0.201 224 D C 2.146 178.412 176.300 -0.056 0.000 0.980 224 D CA 0.750 54.732 54.000 -0.030 0.000 0.842 224 D CB -0.204 40.594 40.800 -0.002 0.000 0.948 224 D HN 0.395 nan 8.370 nan 0.000 0.472 225 L N 0.867 122.034 121.223 -0.093 0.000 2.072 225 L HA -0.103 4.236 4.340 -0.001 0.000 0.205 225 L C 2.410 179.218 176.870 -0.103 0.000 1.079 225 L CA 1.009 55.784 54.840 -0.109 0.000 0.752 225 L CB -0.481 41.480 42.059 -0.162 0.000 0.906 225 L HN 0.111 nan 8.230 nan 0.000 0.436 226 E N 0.405 120.537 120.200 -0.113 0.000 2.478 226 E HA -0.226 4.123 4.350 -0.001 0.000 0.198 226 E C 1.925 178.484 176.600 -0.068 0.000 1.046 226 E CA 0.582 56.924 56.400 -0.096 0.000 0.870 226 E CB -0.056 29.581 29.700 -0.105 0.000 0.818 226 E HN 0.397 nan 8.360 nan 0.000 0.527 227 K N 0.838 121.202 120.400 -0.059 0.000 2.103 227 K HA 0.003 4.323 4.320 -0.001 0.000 0.204 227 K C 1.651 178.228 176.600 -0.039 0.000 1.052 227 K CA 1.105 57.366 56.287 -0.044 0.000 0.945 227 K CB 0.009 32.487 32.500 -0.037 0.000 0.722 227 K HN 0.184 nan 8.250 nan 0.000 0.443 228 A N -0.387 122.408 122.820 -0.041 0.000 2.423 228 A HA 0.311 4.630 4.320 -0.001 0.000 0.246 228 A C 0.948 178.510 177.584 -0.037 0.000 1.278 228 A CA 0.538 52.555 52.037 -0.034 0.000 0.903 228 A CB 0.159 19.141 19.000 -0.030 0.000 0.997 228 A HN 0.483 nan 8.150 nan 0.000 0.510 229 G N -0.593 108.180 108.800 -0.045 0.000 2.175 229 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.244 229 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.244 229 G C 0.082 174.949 174.900 -0.054 0.000 0.982 229 G CA 0.136 45.209 45.100 -0.045 0.000 0.641 229 G HN 0.457 nan 8.290 nan 0.000 0.527 230 I N 1.910 122.440 120.570 -0.068 0.000 2.379 230 I HA 0.545 4.715 4.170 -0.001 0.000 0.290 230 I C 1.136 177.179 176.117 -0.123 0.000 1.063 230 I CA 0.491 61.743 61.300 -0.079 0.000 1.351 230 I CB 1.059 39.013 38.000 -0.077 0.000 1.410 230 I HN 0.208 nan 8.210 nan 0.000 0.505 231 G N 4.580 113.314 108.800 -0.109 0.000 3.015 231 G HA2 0.460 4.420 3.960 -0.001 0.000 0.281 231 G HA3 0.460 4.420 3.960 -0.001 0.000 0.281 231 G C -1.355 173.487 174.900 -0.098 0.000 1.386 231 G CA -0.582 44.422 45.100 -0.160 0.000 0.959 231 G HN 0.232 nan 8.290 nan 0.000 0.522 232 Y N 0.381 120.652 120.300 -0.048 0.000 2.729 232 Y HA 0.344 4.893 4.550 -0.001 0.000 0.331 232 Y C 1.504 177.385 175.900 -0.031 0.000 1.208 232 Y CA 1.264 59.339 58.100 -0.042 0.000 1.521 232 Y CB 0.789 39.222 38.460 -0.044 0.000 1.233 232 Y HN 1.103 nan 8.280 nan 0.000 0.539 233 G N 1.540 110.435 108.800 0.158 0.000 2.192 233 G HA2 -0.061 3.898 3.960 -0.001 0.000 0.193 233 G HA3 -0.061 3.898 3.960 -0.001 0.000 0.193 233 G C -0.002 174.927 174.900 0.048 0.000 0.999 233 G CA -0.377 44.769 45.100 0.078 0.000 0.659 233 G HN 0.981 nan 8.290 nan 0.000 0.503 234 A N 0.670 123.515 122.820 0.043 0.000 2.276 234 A HA 0.773 5.093 4.320 -0.001 0.000 0.300 234 A C 0.676 178.274 177.584 0.024 0.000 1.235 234 A CA -0.316 51.733 52.037 0.020 0.000 0.867 234 A CB 0.252 19.252 19.000 -0.001 0.000 1.137 234 A HN 0.443 nan 8.150 nan 0.000 0.527 235 R N 1.441 121.953 120.500 0.021 0.000 2.484 235 R HA 0.343 4.682 4.340 -0.001 0.000 0.293 235 R C -0.675 175.638 176.300 0.022 0.000 1.023 235 R CA 0.698 56.813 56.100 0.024 0.000 1.037 235 R CB 0.029 30.342 30.300 0.020 0.000 0.951 235 R HN 0.658 nan 8.270 nan 0.000 0.418 236 L N 2.642 123.883 121.223 0.031 0.000 2.370 236 L HA 0.559 4.898 4.340 -0.001 0.000 0.266 236 L C -0.118 176.779 176.870 0.045 0.000 1.002 236 L CA -1.021 53.836 54.840 0.029 0.000 0.818 236 L CB 2.283 44.356 42.059 0.024 0.000 1.325 236 L HN 0.488 nan 8.230 nan 0.000 0.418 237 R N 2.310 122.834 120.500 0.040 0.000 2.343 237 R HA 0.591 4.930 4.340 -0.001 0.000 0.320 237 R C -1.640 174.699 176.300 0.065 0.000 0.956 237 R CA -0.692 55.440 56.100 0.053 0.000 0.836 237 R CB 1.406 31.725 30.300 0.032 0.000 1.151 237 R HN 0.409 nan 8.270 nan 0.000 0.450 238 L N 4.016 125.306 121.223 0.111 0.000 2.342 238 L HA 0.439 4.778 4.340 -0.001 0.000 0.276 238 L C -1.151 175.829 176.870 0.183 0.000 0.997 238 L CA 0.038 54.953 54.840 0.126 0.000 0.838 238 L CB 2.034 44.163 42.059 0.117 0.000 1.224 238 L HN 0.571 nan 8.230 nan 0.000 0.416 239 T N 6.343 120.966 114.554 0.115 0.000 2.795 239 T HA 0.624 4.974 4.350 -0.001 0.000 0.282 239 T C -0.201 174.570 174.700 0.118 0.000 0.980 239 T CA -0.247 61.912 62.100 0.098 0.000 1.012 239 T CB 0.722 69.612 68.868 0.037 0.000 0.936 239 T HN 0.431 nan 8.240 nan 0.000 0.457 240 L N 2.598 123.913 121.223 0.154 0.000 2.346 240 L HA 0.444 4.783 4.340 -0.001 0.000 0.274 240 L C 0.656 177.582 176.870 0.094 0.000 1.007 240 L CA -0.787 54.140 54.840 0.145 0.000 0.818 240 L CB 1.369 43.567 42.059 0.233 0.000 1.284 240 L HN 0.611 nan 8.230 nan 0.000 0.424 241 D N 1.937 122.381 120.400 0.074 0.000 3.039 241 D HA -0.212 4.428 4.640 -0.001 0.000 0.222 241 D C 1.179 177.499 176.300 0.034 0.000 1.179 241 D CA 1.656 55.688 54.000 0.054 0.000 0.880 241 D CB -0.573 40.266 40.800 0.063 0.000 1.115 241 D HN 1.082 nan 8.370 nan 0.000 0.416 242 G N -1.996 106.821 108.800 0.029 0.000 2.245 242 G HA2 -0.364 3.595 3.960 -0.001 0.000 0.264 242 G HA3 -0.364 3.595 3.960 -0.001 0.000 0.264 242 G C 1.088 175.987 174.900 -0.002 0.000 0.985 242 G CA 1.515 46.624 45.100 0.014 0.000 0.625 242 G HN 1.393 nan 8.290 nan 0.000 0.536 243 V N -3.033 116.875 119.914 -0.011 0.000 3.431 243 V HA 0.555 4.674 4.120 -0.001 0.000 0.255 243 V C 1.054 177.096 176.094 -0.088 0.000 1.403 243 V CA 0.318 62.594 62.300 -0.039 0.000 1.101 243 V CB 0.205 32.009 31.823 -0.031 0.000 0.891 243 V HN 0.258 nan 8.190 nan 0.000 0.446 244 L N 4.370 125.534 121.223 -0.098 0.000 2.315 244 L HA 0.518 4.857 4.340 -0.001 0.000 0.278 244 L C -2.595 174.096 176.870 -0.298 0.000 1.088 244 L CA -1.324 53.366 54.840 -0.250 0.000 0.899 244 L CB 1.045 42.982 42.059 -0.204 0.000 1.277 244 L HN 0.208 nan 8.230 nan 0.000 0.431 245 P HA 0.439 nan 4.420 nan 0.000 0.286 245 P C -1.011 176.020 177.300 -0.447 0.000 1.261 245 P CA -0.307 62.663 63.100 -0.217 0.000 0.821 245 P CB 1.062 32.696 31.700 -0.110 0.000 1.013 246 F N -0.070 119.873 119.950 -0.012 0.000 2.579 246 F HA 0.531 5.058 4.527 -0.001 0.000 0.324 246 F C 0.693 176.496 175.800 0.005 0.000 1.058 246 F CA -0.607 57.390 58.000 -0.004 0.000 0.944 246 F CB 2.164 41.169 39.000 0.008 0.000 1.245 246 F HN 0.179 nan 8.300 nan 0.000 0.477 247 E N 1.006 121.329 120.200 0.205 0.000 2.263 247 E HA 0.785 5.134 4.350 -0.001 0.000 0.268 247 E C -1.439 175.228 176.600 0.111 0.000 0.884 247 E CA -0.871 55.601 56.400 0.120 0.000 0.766 247 E CB 2.374 32.114 29.700 0.067 0.000 1.196 247 E HN 0.728 nan 8.360 nan 0.000 0.416 248 A N 3.471 126.344 122.820 0.088 0.000 2.599 248 A HA 0.576 4.896 4.320 -0.001 0.000 0.294 248 A C -2.882 174.737 177.584 0.058 0.000 1.055 248 A CA -1.268 50.812 52.037 0.073 0.000 0.683 248 A CB 1.297 20.346 19.000 0.082 0.000 1.278 248 A HN 0.357 nan 8.150 nan 0.000 0.412 249 P HA 0.333 nan 4.420 nan 0.000 0.272 249 P C -0.416 176.924 177.300 0.065 0.000 1.223 249 P CA -0.212 62.917 63.100 0.049 0.000 0.784 249 P CB 0.586 32.310 31.700 0.041 0.000 0.923 250 L N 2.923 124.192 121.223 0.077 0.000 2.418 250 L HA 0.277 4.616 4.340 -0.001 0.000 0.274 250 L C 0.299 177.294 176.870 0.208 0.000 1.135 250 L CA 0.924 55.841 54.840 0.127 0.000 0.870 250 L CB -0.392 41.719 42.059 0.086 0.000 1.154 250 L HN 0.552 nan 8.230 nan 0.000 0.462 251 T N 2.024 116.679 114.554 0.168 0.000 2.907 251 T HA 0.563 4.912 4.350 -0.001 0.000 0.292 251 T C -2.140 172.483 174.700 -0.128 0.000 1.043 251 T CA -1.790 60.304 62.100 -0.010 0.000 1.003 251 T CB 1.713 70.545 68.868 -0.060 0.000 1.084 251 T HN 0.326 nan 8.240 nan 0.000 0.483 252 P HA 0.062 nan 4.420 nan 0.000 0.216 252 P C 0.567 177.687 177.300 -0.299 0.000 1.150 252 P CA 1.087 63.851 63.100 -0.559 0.000 0.837 252 P CB 0.167 31.477 31.700 -0.650 0.000 0.786 253 T N -3.969 110.384 114.554 -0.336 0.000 2.787 253 T HA 0.375 4.724 4.350 -0.001 0.000 0.297 253 T C 0.156 174.564 174.700 -0.486 0.000 1.221 253 T CA -0.628 61.175 62.100 -0.494 0.000 1.006 253 T CB 0.175 68.868 68.868 -0.293 0.000 1.328 253 T HN -0.325 nan 8.240 nan 0.000 0.509 254 F N 1.221 120.996 119.950 -0.291 0.000 2.102 254 F HA 0.115 4.642 4.527 -0.001 0.000 0.298 254 F C 2.729 178.440 175.800 -0.148 0.000 1.105 254 F CA 1.213 59.057 58.000 -0.260 0.000 1.239 254 F CB -0.807 38.022 39.000 -0.285 0.000 0.991 254 F HN 0.627 nan 8.300 nan 0.000 0.474 255 A N -0.314 122.543 122.820 0.062 0.000 2.178 255 A HA -0.136 4.183 4.320 -0.001 0.000 0.218 255 A C 1.590 179.167 177.584 -0.011 0.000 1.157 255 A CA 1.497 53.546 52.037 0.020 0.000 0.689 255 A CB -0.750 18.254 19.000 0.007 0.000 0.787 255 A HN 0.283 nan 8.150 nan 0.000 0.465 256 D N 0.070 120.445 120.400 -0.041 0.000 2.371 256 D HA 0.072 4.711 4.640 -0.001 0.000 0.221 256 D C 1.851 178.141 176.300 -0.017 0.000 0.986 256 D CA 0.967 54.940 54.000 -0.045 0.000 0.899 256 D CB -0.057 40.693 40.800 -0.083 0.000 0.902 256 D HN 0.487 nan 8.370 nan 0.000 0.530 257 A N 0.163 122.984 122.820 0.002 0.000 2.119 257 A HA 0.351 4.670 4.320 -0.001 0.000 0.217 257 A C 1.646 179.243 177.584 0.023 0.000 1.153 257 A CA 1.481 53.532 52.037 0.023 0.000 0.692 257 A CB -0.069 18.957 19.000 0.043 0.000 0.799 257 A HN 0.328 nan 8.150 nan 0.000 0.458 258 G N -0.763 108.046 108.800 0.014 0.000 2.936 258 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.237 258 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.237 258 G C -0.292 174.618 174.900 0.016 0.000 1.403 258 G CA -0.046 45.062 45.100 0.013 0.000 1.011 258 G HN 0.387 nan 8.290 nan 0.000 0.568 259 E N 0.647 120.859 120.200 0.020 0.000 2.392 259 E HA 0.445 4.794 4.350 -0.001 0.000 0.256 259 E C 0.568 177.182 176.600 0.023 0.000 1.145 259 E CA -0.394 56.018 56.400 0.020 0.000 0.929 259 E CB 0.893 30.606 29.700 0.022 0.000 0.998 259 E HN 0.470 nan 8.360 nan 0.000 0.442 260 I N 0.858 121.439 120.570 0.018 0.000 2.618 260 I HA 0.023 4.192 4.170 -0.001 0.000 0.284 260 I C 1.457 177.591 176.117 0.027 0.000 1.146 260 I CA 1.283 62.593 61.300 0.016 0.000 1.425 260 I CB 0.191 38.195 38.000 0.007 0.000 1.383 260 I HN 0.820 nan 8.210 nan 0.000 0.562 261 G N 4.140 112.959 108.800 0.032 0.000 2.254 261 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.225 261 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.225 261 G C 0.293 175.236 174.900 0.071 0.000 1.003 261 G CA -0.484 44.647 45.100 0.052 0.000 0.622 261 G HN 0.551 nan 8.290 nan 0.000 0.507 262 N N 1.190 119.927 118.700 0.062 0.000 2.416 262 N HA 0.396 5.135 4.740 -0.001 0.000 0.246 262 N C 0.722 176.280 175.510 0.081 0.000 1.260 262 N CA -0.128 52.965 53.050 0.072 0.000 0.897 262 N CB 0.413 38.934 38.487 0.057 0.000 1.110 262 N HN 0.235 nan 8.380 nan 0.000 0.439 263 I N 0.977 121.603 120.570 0.094 0.000 2.496 263 I HA 0.237 4.406 4.170 -0.001 0.000 0.285 263 I C 0.461 176.628 176.117 0.083 0.000 1.080 263 I CA -0.466 60.888 61.300 0.090 0.000 1.404 263 I CB -0.145 37.928 38.000 0.121 0.000 1.403 263 I HN 0.416 nan 8.210 nan 0.000 0.539 264 A N 8.019 130.897 122.820 0.096 0.000 2.343 264 A HA 0.780 5.100 4.320 -0.001 0.000 0.316 264 A C -0.563 177.133 177.584 0.185 0.000 1.104 264 A CA -0.544 51.557 52.037 0.107 0.000 0.768 264 A CB 1.027 20.062 19.000 0.059 0.000 1.213 264 A HN 0.618 nan 8.150 nan 0.000 0.456 265 I N 3.341 124.004 120.570 0.155 0.000 2.362 265 I HA 0.527 4.697 4.170 -0.001 0.000 0.289 265 I C -0.482 175.742 176.117 0.177 0.000 0.994 265 I CA -0.523 60.861 61.300 0.140 0.000 1.158 265 I CB 1.008 39.042 38.000 0.057 0.000 1.315 265 I HN 0.828 nan 8.210 nan 0.000 0.451 266 Y N 4.558 124.830 120.300 -0.047 0.000 2.677 266 Y HA 0.750 5.299 4.550 -0.001 0.000 0.334 266 Y C -1.680 174.183 175.900 -0.062 0.000 1.154 266 Y CA -1.469 56.597 58.100 -0.057 0.000 1.070 266 Y CB 1.180 39.514 38.460 -0.210 0.000 1.294 266 Y HN 0.203 nan 8.280 nan 0.000 0.475 267 L N 3.511 124.730 121.223 -0.006 0.000 2.282 267 L HA 0.360 4.700 4.340 -0.001 0.000 0.288 267 L C -0.497 176.318 176.870 -0.091 0.000 1.033 267 L CA -0.893 53.841 54.840 -0.177 0.000 0.807 267 L CB 1.202 43.177 42.059 -0.140 0.000 1.209 267 L HN 0.826 nan 8.230 nan 0.000 0.423 268 N N 0.717 119.237 118.700 -0.300 0.000 2.317 268 N HA -0.028 4.711 4.740 -0.001 0.000 0.245 268 N C 0.912 176.348 175.510 -0.123 0.000 1.294 268 N CA -0.105 52.839 53.050 -0.176 0.000 0.924 268 N CB 0.490 38.596 38.487 -0.635 0.000 1.186 268 N HN 0.547 nan 8.380 nan 0.000 0.495 269 S N -1.126 114.548 115.700 -0.042 0.000 2.537 269 S HA -0.069 4.400 4.470 -0.001 0.000 0.240 269 S C 0.838 175.434 174.600 -0.006 0.000 0.981 269 S CA 0.215 58.425 58.200 0.017 0.000 0.948 269 S CB -0.319 62.945 63.200 0.106 0.000 0.759 269 S HN 0.574 nan 8.310 nan 0.000 0.531 270 R N 0.407 120.840 120.500 -0.112 0.000 2.362 270 R HA 0.368 4.707 4.340 -0.001 0.000 0.227 270 R C 1.595 177.889 176.300 -0.009 0.000 0.905 270 R CA 0.481 56.577 56.100 -0.007 0.000 1.067 270 R CB -0.720 29.567 30.300 -0.020 0.000 1.078 270 R HN 0.579 nan 8.270 nan 0.000 0.516 271 G N 0.600 109.289 108.800 -0.185 0.000 2.175 271 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.244 271 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.244 271 G C -0.329 174.136 174.900 -0.725 0.000 0.982 271 G CA -0.182 44.639 45.100 -0.465 0.000 0.641 271 G HN 0.317 nan 8.290 nan 0.000 0.527 272 Y N -0.333 119.719 120.300 -0.412 0.000 2.334 272 Y HA 0.611 5.160 4.550 -0.001 0.000 0.328 272 Y C 0.779 176.440 175.900 -0.397 0.000 1.130 272 Y CA -0.970 56.917 58.100 -0.354 0.000 1.163 272 Y CB 1.387 39.698 38.460 -0.248 0.000 1.207 272 Y HN 0.249 nan 8.280 nan 0.000 0.471 273 L N 3.075 124.202 121.223 -0.160 0.000 2.559 273 L HA 0.153 4.493 4.340 -0.001 0.000 0.274 273 L C -0.431 176.288 176.870 -0.252 0.000 1.205 273 L CA 1.042 55.755 54.840 -0.213 0.000 0.907 273 L CB -0.232 41.751 42.059 -0.126 0.000 1.153 273 L HN 0.614 nan 8.230 nan 0.000 0.490 274 S N 5.248 120.669 115.700 -0.465 0.000 2.627 274 S HA 0.719 5.188 4.470 -0.001 0.000 0.283 274 S C -0.999 173.370 174.600 -0.384 0.000 1.127 274 S CA -0.628 57.277 58.200 -0.492 0.000 0.863 274 S CB 1.774 64.467 63.200 -0.844 0.000 1.121 274 S HN 0.697 nan 8.310 nan 0.000 0.479 275 I N 0.743 121.270 120.570 -0.071 0.000 2.686 275 I HA 0.830 4.999 4.170 -0.001 0.000 0.295 275 I C -0.979 175.268 176.117 0.217 0.000 1.114 275 I CA -0.331 61.005 61.300 0.059 0.000 1.038 275 I CB 1.588 39.502 38.000 -0.144 0.000 1.238 275 I HN 0.903 nan 8.210 nan 0.000 0.420 276 A N 6.465 129.432 122.820 0.246 0.000 2.557 276 A HA 0.753 5.072 4.320 -0.001 0.000 0.292 276 A C -1.487 176.164 177.584 0.111 0.000 1.139 276 A CA -0.822 51.340 52.037 0.209 0.000 0.665 276 A CB 1.652 20.898 19.000 0.410 0.000 1.285 276 A HN 0.638 nan 8.150 nan 0.000 0.433 277 R N 0.645 121.190 120.500 0.076 0.000 2.604 277 R HA 0.355 4.694 4.340 -0.001 0.000 0.287 277 R C -0.783 175.542 176.300 0.041 0.000 0.970 277 R CA -0.978 55.161 56.100 0.066 0.000 0.946 277 R CB 1.170 31.506 30.300 0.061 0.000 1.127 277 R HN 0.722 nan 8.270 nan 0.000 0.473 278 N N 1.597 120.327 118.700 0.050 0.000 2.416 278 N HA -0.012 4.728 4.740 -0.001 0.000 0.271 278 N C 0.028 175.514 175.510 -0.040 0.000 1.245 278 N CA 0.766 53.830 53.050 0.024 0.000 0.940 278 N CB 0.353 38.866 38.487 0.043 0.000 1.175 278 N HN 0.765 nan 8.380 nan 0.000 0.483 279 A N 1.921 124.659 122.820 -0.136 0.000 2.704 279 A HA 0.061 4.380 4.320 -0.001 0.000 0.299 279 A C 0.186 177.734 177.584 -0.061 0.000 1.507 279 A CA 1.248 53.207 52.037 -0.129 0.000 0.776 279 A CB -1.941 17.008 19.000 -0.086 0.000 1.027 279 A HN 1.240 nan 8.150 nan 0.000 0.475 280 A N -0.959 121.830 122.820 -0.053 0.000 2.606 280 A HA 0.835 5.154 4.320 -0.001 0.000 0.293 280 A C 0.020 177.597 177.584 -0.012 0.000 1.082 280 A CA 0.483 52.514 52.037 -0.009 0.000 0.685 280 A CB 0.541 19.550 19.000 0.015 0.000 1.284 280 A HN 1.791 nan 8.150 nan 0.000 0.408 281 S N 0.001 115.704 115.700 0.005 0.000 2.523 281 S HA 0.381 4.850 4.470 -0.001 0.000 0.275 281 S C 0.657 175.227 174.600 -0.051 0.000 1.281 281 S CA -0.253 57.921 58.200 -0.043 0.000 1.050 281 S CB 0.532 63.748 63.200 0.028 0.000 0.937 281 S HN 1.303 nan 8.310 nan 0.000 0.492 282 L N 6.301 127.474 121.223 -0.083 0.000 2.269 282 L HA 0.443 4.783 4.340 -0.001 0.000 0.200 282 L C 2.346 179.225 176.870 0.015 0.000 1.069 282 L CA 1.846 56.699 54.840 0.022 0.000 0.804 282 L CB -1.152 40.905 42.059 -0.003 0.000 0.987 282 L HN 0.792 nan 8.230 nan 0.000 0.468 283 A N -0.872 121.841 122.820 -0.178 0.000 1.933 283 A HA -0.205 4.115 4.320 -0.001 0.000 0.218 283 A C 2.056 179.593 177.584 -0.078 0.000 1.175 283 A CA 1.866 53.810 52.037 -0.154 0.000 0.628 283 A CB -0.967 17.840 19.000 -0.322 0.000 0.814 283 A HN 0.560 nan 8.150 nan 0.000 0.444 284 Y N -0.061 120.188 120.300 -0.085 0.000 2.220 284 Y HA 0.003 4.553 4.550 -0.001 0.000 0.291 284 Y C -0.136 175.589 175.900 -0.293 0.000 1.129 284 Y CA 0.840 58.820 58.100 -0.199 0.000 1.161 284 Y CB -1.982 36.388 38.460 -0.150 0.000 0.997 284 Y HN 0.317 nan 8.280 nan 0.000 0.522 285 P HA -0.121 nan 4.420 nan 0.000 0.217 285 P C 0.608 177.764 177.300 -0.241 0.000 1.151 285 P CA 1.606 64.519 63.100 -0.311 0.000 0.828 285 P CB -0.162 31.153 31.700 -0.642 0.000 0.788 286 Y N -2.820 117.588 120.300 0.181 0.000 2.493 286 Y HA 0.192 4.741 4.550 -0.001 0.000 0.275 286 Y C 0.314 176.376 175.900 0.271 0.000 1.183 286 Y CA -0.553 57.676 58.100 0.216 0.000 1.258 286 Y CB -1.699 36.869 38.460 0.181 0.000 1.108 286 Y HN 0.046 nan 8.280 nan 0.000 0.521 287 H N -0.698 118.473 119.070 0.169 0.000 2.655 287 H HA -0.181 4.374 4.556 -0.001 0.000 0.313 287 H C -0.310 175.107 175.328 0.148 0.000 1.141 287 H CA 0.134 56.271 56.048 0.148 0.000 1.138 287 H CB -1.908 27.919 29.762 0.110 0.000 1.446 287 H HN 0.295 nan 8.280 nan 0.000 0.415 288 L N 0.265 121.612 121.223 0.208 0.000 2.439 288 L HA 0.273 4.612 4.340 -0.001 0.000 0.269 288 L C 0.779 177.712 176.870 0.105 0.000 1.179 288 L CA 0.306 55.238 54.840 0.155 0.000 0.828 288 L CB 0.686 42.829 42.059 0.140 0.000 1.106 288 L HN 0.148 nan 8.230 nan 0.000 0.467 289 K N 1.995 122.448 120.400 0.088 0.000 2.508 289 K HA 0.275 4.594 4.320 -0.001 0.000 0.260 289 K C -0.950 175.674 176.600 0.040 0.000 0.949 289 K CA -0.943 55.386 56.287 0.069 0.000 0.834 289 K CB 2.313 34.864 32.500 0.085 0.000 1.365 289 K HN 0.520 nan 8.250 nan 0.000 0.437 290 E N -0.193 120.021 120.200 0.023 0.000 2.565 290 E HA -0.064 4.285 4.350 -0.001 0.000 0.268 290 E C 0.781 177.389 176.600 0.013 0.000 1.000 290 E CA 1.937 58.340 56.400 0.006 0.000 0.964 290 E CB 0.140 29.839 29.700 -0.002 0.000 0.955 290 E HN 0.772 nan 8.360 nan 0.000 0.459 291 G N 3.142 111.945 108.800 0.005 0.000 2.253 291 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.251 291 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.251 291 G C 0.355 175.267 174.900 0.019 0.000 0.998 291 G CA 0.333 45.437 45.100 0.007 0.000 0.621 291 G HN 0.508 nan 8.290 nan 0.000 0.524 292 M N 2.276 121.894 119.600 0.030 0.000 2.245 292 M HA 0.378 4.857 4.480 -0.001 0.000 0.344 292 M C 1.486 177.808 176.300 0.037 0.000 1.170 292 M CA 0.525 55.849 55.300 0.040 0.000 1.135 292 M CB 0.849 33.483 32.600 0.056 0.000 1.574 292 M HN 0.621 nan 8.290 nan 0.000 0.452 293 S N 2.247 117.969 115.700 0.037 0.000 2.563 293 S HA 0.438 4.907 4.470 -0.001 0.000 0.284 293 S C -0.319 174.308 174.600 0.045 0.000 1.331 293 S CA -0.592 57.629 58.200 0.035 0.000 1.047 293 S CB 0.510 63.729 63.200 0.031 0.000 0.859 293 S HN 0.775 nan 8.310 nan 0.000 0.514 294 A N 3.246 126.091 122.820 0.041 0.000 2.375 294 A HA 0.712 5.032 4.320 -0.001 0.000 0.295 294 A C -0.234 177.374 177.584 0.040 0.000 1.066 294 A CA -0.905 51.161 52.037 0.048 0.000 0.722 294 A CB 1.205 20.231 19.000 0.044 0.000 1.206 294 A HN 0.970 nan 8.150 nan 0.000 0.435 295 R N 2.113 122.640 120.500 0.045 0.000 2.599 295 R HA 0.775 5.114 4.340 -0.001 0.000 0.295 295 R C -2.074 174.247 176.300 0.036 0.000 0.963 295 R CA -0.377 55.743 56.100 0.034 0.000 0.883 295 R CB 1.999 32.316 30.300 0.029 0.000 1.171 295 R HN 0.608 nan 8.270 nan 0.000 0.450 296 V N 3.756 123.684 119.914 0.023 0.000 2.925 296 V HA 0.559 4.678 4.120 -0.001 0.000 0.311 296 V C -1.598 174.502 176.094 0.009 0.000 1.104 296 V CA -0.301 62.011 62.300 0.019 0.000 0.954 296 V CB 2.258 34.086 31.823 0.009 0.000 1.022 296 V HN 1.025 nan 8.190 nan 0.000 0.427 297 E N 4.353 124.559 120.200 0.010 0.000 2.388 297 E HA 0.763 5.112 4.350 -0.001 0.000 0.280 297 E C -1.042 175.561 176.600 0.004 0.000 1.019 297 E CA -0.831 55.571 56.400 0.004 0.000 0.806 297 E CB 1.916 31.619 29.700 0.005 0.000 1.246 297 E HN 0.859 nan 8.360 nan 0.000 0.443 298 A N 0.000 122.819 122.820 -0.001 0.000 2.254 298 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 298 A CA 0.000 52.037 52.037 0.001 0.000 0.836 298 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 298 A HN 0.000 nan 8.150 nan 0.000 0.486