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 3ldv_1_A DATA FIRST_RESID 0 DATA SEQUENCE AMNDPKVIVA LDYDNLADAL AFVDKIDPST CRLKVGKEMF TLFGPDFVRE DATA SEQUENCE LHKRGFSVFL DLKFHDIPNT CSKAVKAAAE LGVWMVNVHA SGGERMMAAS DATA SEQUENCE REILEPYGKE RPLLIGVTVL TSMESADLQG IGILSAPQDH VLRLATLTKN DATA SEQUENCE AGLDGVVCSA QEASLLKQHL GREFKLVTPG IRPAGSEQGD QRRIMTPAQA DATA SEQUENCE IASGSDYLVI GRPITQAAHP EVVLEEINSS L 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 0 A HA 0.000 nan 4.320 nan 0.000 0.244 0 A C 0.000 177.588 177.584 0.007 0.000 1.274 0 A CA 0.000 52.043 52.037 0.010 0.000 0.836 0 A CB 0.000 19.003 19.000 0.005 0.000 0.831 1 M N -1.171 118.436 119.600 0.012 0.000 2.197 1 M HA 0.548 5.028 4.480 0.000 0.000 0.305 1 M C 0.299 176.600 176.300 0.002 0.000 1.162 1 M CA -0.302 55.000 55.300 0.004 0.000 1.099 1 M CB 0.050 32.654 32.600 0.007 0.000 1.430 1 M HN 0.242 nan 8.290 nan 0.000 0.481 2 N N 0.932 119.625 118.700 -0.013 0.000 2.454 2 N HA 0.055 4.795 4.740 0.000 0.000 0.260 2 N C -1.584 173.916 175.510 -0.017 0.000 1.218 2 N CA 0.428 53.466 53.050 -0.020 0.000 0.904 2 N CB 0.408 38.871 38.487 -0.039 0.000 1.065 2 N HN 0.766 nan 8.380 nan 0.000 0.462 3 D N 3.583 123.983 120.400 -0.000 0.000 2.468 3 D HA 0.345 4.985 4.640 0.000 0.000 0.272 3 D C -2.679 173.647 176.300 0.044 0.000 1.221 3 D CA -1.619 52.402 54.000 0.034 0.000 0.860 3 D CB 0.416 41.261 40.800 0.075 0.000 1.190 3 D HN 0.325 nan 8.370 nan 0.000 0.509 4 P HA 0.099 nan 4.420 nan 0.000 0.264 4 P C 0.417 177.794 177.300 0.128 0.000 1.193 4 P CA -0.023 63.096 63.100 0.031 0.000 0.763 4 P CB 0.898 32.591 31.700 -0.012 0.000 0.810 5 K N 1.002 121.468 120.400 0.110 0.000 2.361 5 K HA 0.101 4.421 4.320 0.000 0.000 0.196 5 K C 0.182 176.920 176.600 0.230 0.000 1.039 5 K CA 0.294 56.672 56.287 0.150 0.000 1.001 5 K CB 0.330 32.819 32.500 -0.017 0.000 0.795 5 K HN 0.253 nan 8.250 nan 0.000 0.495 6 V N 3.007 123.016 119.914 0.159 0.000 2.406 6 V HA 0.217 4.337 4.120 0.000 0.000 0.272 6 V C -0.028 176.161 176.094 0.159 0.000 1.043 6 V CA -0.397 61.995 62.300 0.153 0.000 0.915 6 V CB 1.015 32.908 31.823 0.116 0.000 0.988 6 V HN 0.104 nan 8.190 nan 0.000 0.466 7 I N 5.516 126.197 120.570 0.184 0.000 2.328 7 I HA 0.330 4.501 4.170 0.000 0.000 0.287 7 I C -0.241 175.975 176.117 0.164 0.000 1.012 7 I CA -0.626 60.784 61.300 0.184 0.000 1.195 7 I CB 1.651 39.810 38.000 0.265 0.000 1.350 7 I HN 0.281 nan 8.210 nan 0.000 0.464 8 V N 5.915 125.921 119.914 0.152 0.000 2.461 8 V HA 0.358 4.478 4.120 0.000 0.000 0.275 8 V C 0.793 176.942 176.094 0.091 0.000 1.047 8 V CA -0.582 61.798 62.300 0.133 0.000 0.955 8 V CB 1.234 33.184 31.823 0.211 0.000 0.988 8 V HN 0.832 nan 8.190 nan 0.000 0.471 9 A N 6.856 129.696 122.820 0.033 0.000 2.404 9 A HA 0.604 4.925 4.320 0.000 0.000 0.273 9 A C -0.253 177.306 177.584 -0.041 0.000 1.144 9 A CA -0.288 51.745 52.037 -0.007 0.000 0.806 9 A CB -0.134 18.844 19.000 -0.037 0.000 1.080 9 A HN 0.832 nan 8.150 nan 0.000 0.509 10 L N 3.457 124.701 121.223 0.035 0.000 2.264 10 L HA 0.346 4.686 4.340 0.000 0.000 0.287 10 L C -0.652 176.259 176.870 0.070 0.000 1.039 10 L CA -0.338 54.579 54.840 0.128 0.000 0.829 10 L CB 0.989 43.242 42.059 0.324 0.000 1.211 10 L HN 0.604 nan 8.230 nan 0.000 0.427 11 D N 2.983 123.300 120.400 -0.139 0.000 2.963 11 D HA 0.201 4.841 4.640 0.000 0.000 0.361 11 D C -0.648 175.518 176.300 -0.222 0.000 1.317 11 D CA -0.108 53.807 54.000 -0.142 0.000 0.832 11 D CB 0.431 41.128 40.800 -0.171 0.000 1.135 11 D HN 0.204 nan 8.370 nan 0.000 0.476 12 Y N 1.101 121.386 120.300 -0.024 0.000 2.310 12 Y HA 0.143 4.693 4.550 0.000 0.000 0.326 12 Y C 1.590 177.518 175.900 0.046 0.000 1.151 12 Y CA -0.768 57.321 58.100 -0.018 0.000 1.195 12 Y CB 1.203 39.634 38.460 -0.049 0.000 1.210 12 Y HN -0.079 nan 8.280 nan 0.000 0.483 13 D N -0.612 119.901 120.400 0.188 0.000 2.340 13 D HA 0.002 4.642 4.640 0.000 0.000 0.217 13 D C -0.926 175.539 176.300 0.275 0.000 1.081 13 D CA 0.006 54.101 54.000 0.158 0.000 0.842 13 D CB -0.352 40.478 40.800 0.050 0.000 0.934 13 D HN 0.488 nan 8.370 nan 0.000 0.511 14 N N 0.262 119.110 118.700 0.248 0.000 2.371 14 N HA 0.157 4.897 4.740 0.000 0.000 0.291 14 N C 0.267 175.644 175.510 -0.223 0.000 1.053 14 N CA -0.833 52.277 53.050 0.100 0.000 0.870 14 N CB 1.769 40.284 38.487 0.047 0.000 1.503 14 N HN -0.138 nan 8.380 nan 0.000 0.485 15 L N 1.840 122.695 121.223 -0.614 0.000 2.046 15 L HA 0.073 4.413 4.340 0.000 0.000 0.208 15 L C 2.104 178.696 176.870 -0.463 0.000 1.077 15 L CA 2.043 56.345 54.840 -0.896 0.000 0.747 15 L CB -0.889 40.518 42.059 -1.086 0.000 0.896 15 L HN 0.818 nan 8.230 nan 0.000 0.432 16 A N -0.951 121.691 122.820 -0.296 0.000 1.902 16 A HA -0.220 4.100 4.320 0.000 0.000 0.217 16 A C 1.988 179.449 177.584 -0.204 0.000 1.181 16 A CA 1.890 53.809 52.037 -0.196 0.000 0.623 16 A CB -0.757 18.169 19.000 -0.124 0.000 0.818 16 A HN 0.495 nan 8.150 nan 0.000 0.443 17 D N 0.048 120.316 120.400 -0.220 0.000 2.144 17 D HA -0.032 4.608 4.640 0.000 0.000 0.199 17 D C 2.236 178.170 176.300 -0.609 0.000 0.984 17 D CA 1.463 55.310 54.000 -0.255 0.000 0.834 17 D CB -0.425 40.326 40.800 -0.083 0.000 0.955 17 D HN 0.424 nan 8.370 nan 0.000 0.465 18 A N 0.631 122.976 122.820 -0.791 0.000 1.877 18 A HA -0.111 4.209 4.320 0.000 0.000 0.216 18 A C 2.368 179.766 177.584 -0.310 0.000 1.186 18 A CA 0.943 52.434 52.037 -0.910 0.000 0.620 18 A CB -0.784 17.899 19.000 -0.528 0.000 0.822 18 A HN 0.210 nan 8.150 nan 0.000 0.443 19 L N -0.860 120.249 121.223 -0.190 0.000 2.141 19 L HA -0.128 4.212 4.340 0.000 0.000 0.209 19 L C 3.038 179.856 176.870 -0.087 0.000 1.094 19 L CA 0.804 55.600 54.840 -0.074 0.000 0.763 19 L CB -0.525 41.502 42.059 -0.052 0.000 0.908 19 L HN 0.439 nan 8.230 nan 0.000 0.437 20 A N 0.137 122.891 122.820 -0.109 0.000 1.933 20 A HA -0.265 4.055 4.320 0.000 0.000 0.218 20 A C 2.164 179.720 177.584 -0.045 0.000 1.175 20 A CA 1.530 53.524 52.037 -0.071 0.000 0.628 20 A CB -0.741 18.221 19.000 -0.062 0.000 0.814 20 A HN 0.421 nan 8.150 nan 0.000 0.444 21 F N 0.806 120.652 119.950 -0.174 0.000 2.113 21 F HA -0.130 4.398 4.527 0.000 0.000 0.297 21 F C 2.133 177.889 175.800 -0.074 0.000 1.103 21 F CA 1.978 59.918 58.000 -0.100 0.000 1.248 21 F CB -0.427 38.526 39.000 -0.077 0.000 0.999 21 F HN 0.005 nan 8.300 nan 0.000 0.475 22 V N 0.739 120.494 119.914 -0.266 0.000 2.490 22 V HA -0.291 3.829 4.120 0.000 0.000 0.250 22 V C 1.895 177.847 176.094 -0.238 0.000 1.061 22 V CA 2.098 64.168 62.300 -0.382 0.000 1.064 22 V CB -0.857 30.801 31.823 -0.275 0.000 0.670 22 V HN 0.303 nan 8.190 nan 0.000 0.461 23 D N 0.182 120.491 120.400 -0.152 0.000 2.265 23 D HA -0.136 4.504 4.640 0.000 0.000 0.208 23 D C 2.100 178.340 176.300 -0.100 0.000 0.977 23 D CA 1.046 55.000 54.000 -0.077 0.000 0.871 23 D CB -0.125 40.639 40.800 -0.058 0.000 0.925 23 D HN 0.467 nan 8.370 nan 0.000 0.485 24 K N -0.135 120.141 120.400 -0.207 0.000 2.400 24 K HA 0.147 4.468 4.320 0.000 0.000 0.194 24 K C 1.039 177.541 176.600 -0.163 0.000 1.033 24 K CA 0.195 56.375 56.287 -0.178 0.000 1.021 24 K CB 0.593 32.963 32.500 -0.216 0.000 0.808 24 K HN 0.292 nan 8.250 nan 0.000 0.505 25 I N -2.505 117.957 120.570 -0.181 0.000 3.067 25 I HA 0.432 4.602 4.170 0.000 0.000 0.312 25 I C -1.250 174.931 176.117 0.107 0.000 1.073 25 I CA -1.261 60.002 61.300 -0.062 0.000 1.016 25 I CB 1.874 39.793 38.000 -0.135 0.000 1.227 25 I HN -0.289 nan 8.210 nan 0.000 0.456 26 D N 2.918 123.375 120.400 0.096 0.000 2.256 26 D HA 0.333 4.973 4.640 0.000 0.000 0.246 26 D C -1.992 174.242 176.300 -0.111 0.000 1.042 26 D CA -1.693 52.302 54.000 -0.009 0.000 0.841 26 D CB 2.123 42.896 40.800 -0.046 0.000 1.223 26 D HN 0.348 nan 8.370 nan 0.000 0.470 27 P HA -0.122 nan 4.420 nan 0.000 0.225 27 P C 1.045 178.155 177.300 -0.318 0.000 1.148 27 P CA 0.840 63.434 63.100 -0.844 0.000 0.779 27 P CB 0.245 31.223 31.700 -1.203 0.000 0.780 28 S N -0.962 114.612 115.700 -0.211 0.000 2.522 28 S HA -0.043 4.427 4.470 0.000 0.000 0.227 28 S C 1.625 176.184 174.600 -0.067 0.000 0.986 28 S CA 1.311 59.435 58.200 -0.126 0.000 0.929 28 S CB -1.514 61.626 63.200 -0.100 0.000 0.769 28 S HN 0.325 nan 8.310 nan 0.000 0.529 29 T N -1.634 112.900 114.554 -0.034 0.000 3.044 29 T HA 0.442 4.792 4.350 0.000 0.000 0.260 29 T C 0.570 175.299 174.700 0.048 0.000 1.019 29 T CA 0.115 62.221 62.100 0.011 0.000 0.921 29 T CB -0.654 68.230 68.868 0.025 0.000 1.053 29 T HN 0.838 nan 8.240 nan 0.000 0.533 30 C N 0.079 119.421 119.300 0.069 0.000 3.259 30 C HA 0.822 5.282 4.460 0.000 0.000 0.344 30 C C -1.335 173.719 174.990 0.107 0.000 1.401 30 C CA -1.537 57.542 59.018 0.101 0.000 1.219 30 C CB 1.219 29.052 27.740 0.155 0.000 1.521 30 C HN 0.510 nan 8.230 nan 0.000 0.455 31 R N 0.238 120.783 120.500 0.074 0.000 2.919 31 R HA 0.925 5.266 4.340 0.000 0.000 0.260 31 R C -1.367 175.005 176.300 0.119 0.000 1.067 31 R CA -0.726 55.395 56.100 0.036 0.000 1.003 31 R CB 1.404 31.562 30.300 -0.236 0.000 1.192 31 R HN 0.691 nan 8.270 nan 0.000 0.488 32 L N 0.736 122.033 121.223 0.123 0.000 2.381 32 L HA 0.544 4.884 4.340 0.000 0.000 0.268 32 L C -0.593 176.365 176.870 0.146 0.000 0.997 32 L CA -0.868 54.031 54.840 0.099 0.000 0.818 32 L CB 2.128 44.172 42.059 -0.024 0.000 1.310 32 L HN 0.421 nan 8.230 nan 0.000 0.416 33 K N 1.885 122.352 120.400 0.112 0.000 2.274 33 K HA 0.624 4.944 4.320 0.000 0.000 0.262 33 K C -1.497 175.101 176.600 -0.003 0.000 0.961 33 K CA -0.527 55.777 56.287 0.028 0.000 0.833 33 K CB 1.835 34.315 32.500 -0.034 0.000 1.102 33 K HN 0.366 nan 8.250 nan 0.000 0.436 34 V N 3.789 123.682 119.914 -0.035 0.000 2.357 34 V HA 0.463 4.583 4.120 0.000 0.000 0.284 34 V C 0.608 176.666 176.094 -0.060 0.000 1.018 34 V CA -0.614 61.725 62.300 0.064 0.000 0.841 34 V CB 1.208 33.137 31.823 0.176 0.000 0.991 34 V HN 0.981 nan 8.190 nan 0.000 0.437 35 G N 3.171 111.953 108.800 -0.030 0.000 2.795 35 G HA2 0.416 4.376 3.960 0.000 0.000 0.267 35 G HA3 0.416 4.376 3.960 0.000 0.000 0.267 35 G C 0.503 175.398 174.900 -0.007 0.000 1.362 35 G CA -0.575 44.465 45.100 -0.101 0.000 1.048 35 G HN 0.621 nan 8.290 nan 0.000 0.547 36 K N -0.659 119.716 120.400 -0.040 0.000 2.152 36 K HA -0.104 4.216 4.320 0.000 0.000 0.206 36 K C 2.169 178.792 176.600 0.039 0.000 1.048 36 K CA 1.624 57.919 56.287 0.013 0.000 0.933 36 K CB 0.052 32.545 32.500 -0.012 0.000 0.721 36 K HN 0.649 nan 8.250 nan 0.000 0.447 37 E N 0.941 121.144 120.200 0.005 0.000 2.015 37 E HA -0.163 4.187 4.350 0.000 0.000 0.191 37 E C 2.013 178.588 176.600 -0.041 0.000 0.991 37 E CA 1.143 57.527 56.400 -0.027 0.000 0.802 37 E CB 0.060 29.738 29.700 -0.037 0.000 0.759 37 E HN 0.199 nan 8.360 nan 0.000 0.447 38 M N -0.280 119.344 119.600 0.040 0.000 2.229 38 M HA -0.087 4.393 4.480 0.000 0.000 0.264 38 M C 2.111 178.472 176.300 0.102 0.000 1.063 38 M CA 0.955 56.306 55.300 0.084 0.000 1.114 38 M CB -0.199 32.534 32.600 0.223 0.000 1.387 38 M HN 0.185 nan 8.290 nan 0.000 0.420 39 F N 1.160 121.133 119.950 0.039 0.000 2.206 39 F HA -0.133 4.395 4.527 0.000 0.000 0.298 39 F C 2.324 178.114 175.800 -0.016 0.000 1.090 39 F CA 1.523 59.558 58.000 0.059 0.000 1.323 39 F CB -0.243 38.787 39.000 0.050 0.000 1.028 39 F HN 0.020 nan 8.300 nan 0.000 0.492 40 T N 1.017 115.599 114.554 0.046 0.000 2.867 40 T HA -0.124 4.226 4.350 0.000 0.000 0.268 40 T C 2.127 176.682 174.700 -0.242 0.000 1.057 40 T CA 1.461 63.529 62.100 -0.054 0.000 1.136 40 T CB -0.355 68.504 68.868 -0.015 0.000 0.874 40 T HN 0.208 nan 8.240 nan 0.000 0.466 41 L N -0.792 120.175 121.223 -0.427 0.000 2.095 41 L HA 0.100 4.440 4.340 0.000 0.000 0.204 41 L C 1.660 177.979 176.870 -0.917 0.000 1.080 41 L CA 1.270 55.605 54.840 -0.843 0.000 0.759 41 L CB -0.181 40.994 42.059 -1.473 0.000 0.914 41 L HN 0.253 nan 8.230 nan 0.000 0.439 42 F N -1.173 118.663 119.950 -0.190 0.000 2.784 42 F HA 0.440 4.967 4.527 0.000 0.000 0.323 42 F C 1.415 177.070 175.800 -0.242 0.000 1.085 42 F CA 0.028 57.909 58.000 -0.198 0.000 1.196 42 F CB -0.513 38.333 39.000 -0.256 0.000 1.053 42 F HN 0.061 nan 8.300 nan 0.000 0.578 43 G N 2.134 110.682 108.800 -0.419 0.000 2.697 43 G HA2 -0.243 3.717 3.960 0.000 0.000 0.240 43 G HA3 -0.243 3.717 3.960 0.000 0.000 0.240 43 G C -1.752 172.812 174.900 -0.560 0.000 1.346 43 G CA -0.225 44.360 45.100 -0.859 0.000 0.887 43 G HN 0.075 nan 8.290 nan 0.000 0.569 44 P HA 0.012 nan 4.420 nan 0.000 0.222 44 P C 1.000 178.345 177.300 0.075 0.000 1.147 44 P CA 1.674 64.837 63.100 0.104 0.000 0.790 44 P CB -0.020 31.797 31.700 0.195 0.000 0.780 45 D N -0.815 119.611 120.400 0.045 0.000 2.144 45 D HA -0.151 4.489 4.640 0.000 0.000 0.199 45 D C 1.642 178.004 176.300 0.103 0.000 0.984 45 D CA 0.817 54.857 54.000 0.067 0.000 0.834 45 D CB -0.900 39.936 40.800 0.060 0.000 0.955 45 D HN 0.111 nan 8.370 nan 0.000 0.465 46 F N 1.403 121.339 119.950 -0.024 0.000 2.102 46 F HA -0.175 4.352 4.527 0.000 0.000 0.298 46 F C 2.130 177.909 175.800 -0.036 0.000 1.105 46 F CA 0.839 58.822 58.000 -0.028 0.000 1.239 46 F CB -0.517 38.496 39.000 0.021 0.000 0.991 46 F HN -0.211 nan 8.300 nan 0.000 0.474 47 V N 1.156 120.977 119.914 -0.155 0.000 2.343 47 V HA -0.307 3.813 4.120 0.000 0.000 0.247 47 V C 2.555 178.373 176.094 -0.461 0.000 1.051 47 V CA 2.258 64.339 62.300 -0.365 0.000 1.036 47 V CB -0.730 31.019 31.823 -0.124 0.000 0.654 47 V HN 0.275 nan 8.190 nan 0.000 0.451 48 R N -0.131 120.256 120.500 -0.188 0.000 2.105 48 R HA -0.226 4.114 4.340 0.000 0.000 0.239 48 R C 2.341 178.609 176.300 -0.052 0.000 1.135 48 R CA 1.694 57.756 56.100 -0.064 0.000 0.967 48 R CB -0.283 30.041 30.300 0.040 0.000 0.861 48 R HN 0.526 nan 8.270 nan 0.000 0.442 49 E N 1.139 121.285 120.200 -0.091 0.000 2.106 49 E HA -0.115 4.235 4.350 0.000 0.000 0.192 49 E C 1.795 178.349 176.600 -0.077 0.000 0.984 49 E CA 1.080 57.447 56.400 -0.055 0.000 0.806 49 E CB -0.130 29.558 29.700 -0.020 0.000 0.750 49 E HN 0.264 nan 8.360 nan 0.000 0.458 50 L N -0.539 120.543 121.223 -0.234 0.000 2.056 50 L HA -0.153 4.187 4.340 0.000 0.000 0.207 50 L C 2.403 179.342 176.870 0.116 0.000 1.078 50 L CA 1.609 56.362 54.840 -0.145 0.000 0.749 50 L CB -0.631 41.203 42.059 -0.375 0.000 0.901 50 L HN 0.325 nan 8.230 nan 0.000 0.433 51 H N -0.245 118.840 119.070 0.025 0.000 2.353 51 H HA -0.201 4.355 4.556 0.000 0.000 0.300 51 H C 2.312 177.664 175.328 0.040 0.000 1.090 51 H CA 1.265 57.342 56.048 0.049 0.000 1.327 51 H CB 0.139 29.926 29.762 0.041 0.000 1.383 51 H HN 0.219 nan 8.280 nan 0.000 0.508 52 K N 1.526 122.019 120.400 0.155 0.000 2.152 52 K HA -0.143 4.177 4.320 0.000 0.000 0.206 52 K C 1.831 178.474 176.600 0.072 0.000 1.048 52 K CA 1.203 57.544 56.287 0.090 0.000 0.933 52 K CB 0.071 32.608 32.500 0.062 0.000 0.721 52 K HN 0.216 nan 8.250 nan 0.000 0.447 53 R N -0.952 119.615 120.500 0.112 0.000 2.323 53 R HA 0.029 4.369 4.340 0.000 0.000 0.198 53 R C 0.948 177.241 176.300 -0.012 0.000 0.988 53 R CA 0.596 56.767 56.100 0.119 0.000 1.041 53 R CB 0.243 30.713 30.300 0.283 0.000 0.926 53 R HN 0.542 nan 8.270 nan 0.000 0.476 54 G N -0.077 108.722 108.800 -0.002 0.000 2.141 54 G HA2 -0.270 3.690 3.960 0.000 0.000 0.231 54 G HA3 -0.270 3.690 3.960 0.000 0.000 0.231 54 G C -0.044 174.733 174.900 -0.205 0.000 0.984 54 G CA -0.493 44.529 45.100 -0.130 0.000 0.660 54 G HN 0.180 nan 8.290 nan 0.000 0.525 55 F N 2.227 122.184 119.950 0.011 0.000 2.375 55 F HA 0.570 5.097 4.527 0.000 0.000 0.333 55 F C 1.312 177.141 175.800 0.047 0.000 1.104 55 F CA 0.055 58.055 58.000 -0.001 0.000 1.149 55 F CB 1.476 40.472 39.000 -0.007 0.000 1.190 55 F HN 0.228 nan 8.300 nan 0.000 0.533 56 S N 1.511 117.292 115.700 0.136 0.000 2.562 56 S HA 0.740 5.210 4.470 0.000 0.000 0.275 56 S C -0.788 173.928 174.600 0.193 0.000 1.281 56 S CA -0.790 57.456 58.200 0.076 0.000 1.045 56 S CB 1.426 64.444 63.200 -0.304 0.000 0.962 56 S HN 0.372 nan 8.310 nan 0.000 0.503 57 V N 3.485 123.612 119.914 0.356 0.000 2.540 57 V HA 0.459 4.579 4.120 0.000 0.000 0.302 57 V C -0.922 175.471 176.094 0.499 0.000 1.035 57 V CA -0.811 61.697 62.300 0.347 0.000 0.873 57 V CB 1.466 33.431 31.823 0.238 0.000 0.992 57 V HN 0.903 nan 8.190 nan 0.000 0.428 58 F N 6.658 126.764 119.950 0.261 0.000 2.371 58 F HA 0.583 5.110 4.527 0.000 0.000 0.363 58 F C -0.560 175.260 175.800 0.035 0.000 1.122 58 F CA -1.783 56.309 58.000 0.153 0.000 1.129 58 F CB 1.114 40.210 39.000 0.160 0.000 1.173 58 F HN 0.386 nan 8.300 nan 0.000 0.489 59 L N 6.893 128.204 121.223 0.147 0.000 2.312 59 L HA 0.275 4.616 4.340 0.000 0.000 0.287 59 L C -0.425 176.221 176.870 -0.373 0.000 1.091 59 L CA 0.103 54.856 54.840 -0.145 0.000 0.846 59 L CB -0.051 41.943 42.059 -0.108 0.000 1.219 59 L HN 0.594 nan 8.230 nan 0.000 0.439 60 D N 4.555 124.571 120.400 -0.639 0.000 2.639 60 D HA 0.154 4.794 4.640 0.000 0.000 0.233 60 D C 0.556 176.570 176.300 -0.477 0.000 1.161 60 D CA 0.128 53.690 54.000 -0.730 0.000 1.003 60 D CB 0.074 40.285 40.800 -0.981 0.000 1.034 60 D HN 0.629 nan 8.370 nan 0.000 0.514 61 L N 1.443 122.326 121.223 -0.568 0.000 2.664 61 L HA 0.209 4.549 4.340 0.000 0.000 0.233 61 L C 0.758 177.311 176.870 -0.527 0.000 1.113 61 L CA -0.329 54.141 54.840 -0.617 0.000 0.896 61 L CB -0.130 41.354 42.059 -0.959 0.000 1.163 61 L HN 0.188 nan 8.230 nan 0.000 0.497 62 K N 1.128 121.261 120.400 -0.444 0.000 3.490 62 K HA -0.206 4.114 4.320 0.000 0.000 0.273 62 K C -0.644 175.971 176.600 0.026 0.000 0.916 62 K CA 0.247 56.398 56.287 -0.227 0.000 0.718 62 K CB -1.769 30.623 32.500 -0.180 0.000 1.477 62 K HN 0.013 nan 8.250 nan 0.000 0.452 63 F N 1.165 121.152 119.950 0.062 0.000 2.602 63 F HA 0.044 4.571 4.527 0.000 0.000 0.367 63 F C 1.332 177.263 175.800 0.218 0.000 1.126 63 F CA 0.449 58.511 58.000 0.103 0.000 1.321 63 F CB 0.279 39.302 39.000 0.039 0.000 1.094 63 F HN 0.229 nan 8.300 nan 0.000 0.594 64 H N 2.276 121.518 119.070 0.288 0.000 3.059 64 H HA 0.231 4.787 4.556 0.000 0.000 0.302 64 H C -1.506 173.881 175.328 0.097 0.000 1.264 64 H CA -0.517 55.637 56.048 0.176 0.000 1.615 64 H CB 0.464 30.305 29.762 0.132 0.000 1.795 64 H HN 0.705 nan 8.280 nan 0.000 0.556 65 D N 2.887 123.422 120.400 0.224 0.000 2.768 65 D HA 0.148 4.789 4.640 0.000 0.000 0.327 65 D C 0.133 176.480 176.300 0.078 0.000 1.302 65 D CA -0.492 53.552 54.000 0.073 0.000 0.897 65 D CB 2.108 42.928 40.800 0.034 0.000 1.420 65 D HN 0.542 nan 8.370 nan 0.000 0.494 66 I N -1.272 119.316 120.570 0.031 0.000 2.892 66 I HA 0.184 4.354 4.170 0.000 0.000 0.287 66 I C -1.660 174.474 176.117 0.028 0.000 1.205 66 I CA -1.113 60.204 61.300 0.029 0.000 1.409 66 I CB 0.219 38.225 38.000 0.010 0.000 1.367 66 I HN 0.134 nan 8.210 nan 0.000 0.597 67 P HA -0.196 nan 4.420 nan 0.000 0.216 67 P C 1.292 178.596 177.300 0.007 0.000 1.153 67 P CA 1.625 64.739 63.100 0.024 0.000 0.858 67 P CB -0.166 31.548 31.700 0.023 0.000 0.789 68 N N -1.202 117.499 118.700 0.001 0.000 2.084 68 N HA -0.126 4.615 4.740 0.000 0.000 0.190 68 N C 1.408 176.903 175.510 -0.026 0.000 1.030 68 N CA 1.893 54.938 53.050 -0.008 0.000 0.849 68 N CB -0.273 38.211 38.487 -0.006 0.000 1.012 68 N HN 0.067 nan 8.380 nan 0.000 0.423 69 T N 0.183 114.718 114.554 -0.032 0.000 2.777 69 T HA -0.112 4.238 4.350 0.000 0.000 0.266 69 T C 2.118 176.751 174.700 -0.110 0.000 1.040 69 T CA 0.954 63.018 62.100 -0.061 0.000 1.141 69 T CB -0.616 68.225 68.868 -0.045 0.000 0.868 69 T HN 0.432 nan 8.240 nan 0.000 0.444 70 C N 2.200 121.457 119.300 -0.072 0.000 2.432 70 C HA -0.106 4.354 4.460 0.000 0.000 0.277 70 C C 3.255 178.172 174.990 -0.123 0.000 1.249 70 C CA 1.524 60.486 59.018 -0.092 0.000 1.725 70 C CB -1.364 26.394 27.740 0.031 0.000 2.028 70 C HN 0.718 nan 8.230 nan 0.000 0.477 71 S N 0.415 116.079 115.700 -0.060 0.000 2.382 71 S HA -0.190 4.281 4.470 0.000 0.000 0.228 71 S C 1.816 176.372 174.600 -0.073 0.000 1.027 71 S CA 1.645 59.819 58.200 -0.044 0.000 0.991 71 S CB -0.609 62.586 63.200 -0.009 0.000 0.823 71 S HN 0.770 nan 8.310 nan 0.000 0.469 72 K N 1.455 121.801 120.400 -0.090 0.000 2.148 72 K HA 0.185 4.505 4.320 0.000 0.000 0.204 72 K C 2.487 178.988 176.600 -0.165 0.000 1.050 72 K CA 0.961 57.195 56.287 -0.089 0.000 0.942 72 K CB -0.438 32.022 32.500 -0.065 0.000 0.724 72 K HN 0.509 nan 8.250 nan 0.000 0.446 73 A N 0.890 123.516 122.820 -0.324 0.000 1.898 73 A HA -0.093 4.227 4.320 0.000 0.000 0.216 73 A C 2.311 179.626 177.584 -0.448 0.000 1.181 73 A CA 1.152 52.828 52.037 -0.603 0.000 0.620 73 A CB -0.503 17.691 19.000 -1.342 0.000 0.819 73 A HN 0.053 nan 8.150 nan 0.000 0.442 74 V N 0.297 120.046 119.914 -0.275 0.000 2.427 74 V HA -0.252 3.869 4.120 0.000 0.000 0.248 74 V C 2.523 178.572 176.094 -0.075 0.000 1.051 74 V CA 2.317 64.598 62.300 -0.033 0.000 1.048 74 V CB -0.610 31.224 31.823 0.018 0.000 0.666 74 V HN 0.689 nan 8.190 nan 0.000 0.456 75 K N 0.377 120.726 120.400 -0.085 0.000 2.063 75 K HA -0.195 4.125 4.320 0.000 0.000 0.208 75 K C 2.180 178.729 176.600 -0.084 0.000 1.048 75 K CA 1.617 57.859 56.287 -0.076 0.000 0.928 75 K CB -0.334 32.183 32.500 0.030 0.000 0.713 75 K HN 0.426 nan 8.250 nan 0.000 0.442 76 A N 0.990 123.779 122.820 -0.052 0.000 1.933 76 A HA -0.114 4.206 4.320 0.000 0.000 0.218 76 A C 2.307 179.897 177.584 0.010 0.000 1.175 76 A CA 1.852 53.886 52.037 -0.004 0.000 0.628 76 A CB -0.765 18.236 19.000 0.002 0.000 0.814 76 A HN 0.498 nan 8.150 nan 0.000 0.444 77 A N -0.169 122.655 122.820 0.006 0.000 1.933 77 A HA 0.151 4.471 4.320 0.000 0.000 0.218 77 A C 2.474 180.027 177.584 -0.051 0.000 1.175 77 A CA 2.048 54.101 52.037 0.028 0.000 0.628 77 A CB -0.916 18.134 19.000 0.083 0.000 0.814 77 A HN 1.049 nan 8.150 nan 0.000 0.444 78 A N -0.579 122.112 122.820 -0.215 0.000 1.930 78 A HA -0.104 4.216 4.320 0.000 0.000 0.217 78 A C 1.908 179.321 177.584 -0.286 0.000 1.175 78 A CA 1.490 53.253 52.037 -0.456 0.000 0.627 78 A CB -0.373 17.915 19.000 -1.186 0.000 0.815 78 A HN 0.454 nan 8.150 nan 0.000 0.443 79 E N -0.530 119.595 120.200 -0.124 0.000 2.153 79 E HA -0.163 4.187 4.350 0.000 0.000 0.194 79 E C 1.751 178.408 176.600 0.096 0.000 0.988 79 E CA 0.921 57.365 56.400 0.075 0.000 0.811 79 E CB -0.294 29.469 29.700 0.105 0.000 0.746 79 E HN 0.507 nan 8.360 nan 0.000 0.466 80 L N -0.032 121.248 121.223 0.095 0.000 2.395 80 L HA 0.087 4.427 4.340 0.000 0.000 0.218 80 L C 1.171 178.172 176.870 0.218 0.000 1.130 80 L CA 1.518 56.459 54.840 0.169 0.000 0.826 80 L CB -0.187 41.985 42.059 0.188 0.000 0.941 80 L HN 0.251 nan 8.230 nan 0.000 0.451 81 G N -0.277 108.591 108.800 0.113 0.000 2.160 81 G HA2 -0.216 3.744 3.960 0.000 0.000 0.244 81 G HA3 -0.216 3.744 3.960 0.000 0.000 0.244 81 G C 0.318 175.233 174.900 0.025 0.000 1.022 81 G CA 0.346 45.467 45.100 0.035 0.000 0.741 81 G HN 0.760 nan 8.290 nan 0.000 0.508 82 V N -2.995 117.015 119.914 0.160 0.000 2.924 82 V HA 0.609 4.729 4.120 0.000 0.000 0.305 82 V C 1.454 177.646 176.094 0.164 0.000 1.073 82 V CA 0.346 62.788 62.300 0.238 0.000 1.098 82 V CB 1.175 33.130 31.823 0.221 0.000 1.000 82 V HN 0.617 nan 8.190 nan 0.000 0.484 83 W N 4.126 125.451 121.300 0.041 0.000 2.436 83 W HA 0.254 4.914 4.660 0.000 0.000 0.284 83 W C 0.623 177.111 176.519 -0.052 0.000 1.225 83 W CA 0.892 58.225 57.345 -0.019 0.000 1.271 83 W CB 0.246 29.693 29.460 -0.022 0.000 1.114 83 W HN 0.711 nan 8.180 nan 0.000 0.559 84 M N 0.868 120.338 119.600 -0.217 0.000 2.413 84 M HA 0.447 4.927 4.480 0.000 0.000 0.287 84 M C -2.198 174.068 176.300 -0.056 0.000 1.186 84 M CA -0.777 54.236 55.300 -0.478 0.000 0.927 84 M CB 1.887 33.854 32.600 -1.055 0.000 1.715 84 M HN -0.336 nan 8.290 nan 0.000 0.478 85 V N 4.229 124.086 119.914 -0.096 0.000 2.971 85 V HA 0.710 4.830 4.120 0.000 0.000 0.309 85 V C -1.792 174.298 176.094 -0.006 0.000 1.130 85 V CA -0.474 61.839 62.300 0.022 0.000 0.964 85 V CB 2.536 34.361 31.823 0.003 0.000 1.029 85 V HN 1.065 nan 8.190 nan 0.000 0.427 86 N N 4.059 122.764 118.700 0.008 0.000 2.328 86 N HA 0.797 5.537 4.740 0.000 0.000 0.299 86 N C -0.830 174.627 175.510 -0.089 0.000 1.179 86 N CA -0.349 52.681 53.050 -0.033 0.000 0.793 86 N CB 1.998 40.513 38.487 0.048 0.000 1.366 86 N HN 1.029 nan 8.380 nan 0.000 0.493 87 V N -3.627 116.251 119.914 -0.060 0.000 3.114 87 V HA 0.521 4.641 4.120 0.000 0.000 0.308 87 V C -0.635 175.404 176.094 -0.091 0.000 1.168 87 V CA -0.938 61.363 62.300 0.002 0.000 1.015 87 V CB 1.671 33.547 31.823 0.089 0.000 1.050 87 V HN 0.764 nan 8.190 nan 0.000 0.433 88 H N 2.192 121.223 119.070 -0.066 0.000 2.819 88 H HA 0.417 4.973 4.556 0.000 0.000 0.303 88 H C 1.286 176.499 175.328 -0.191 0.000 1.058 88 H CA 0.712 56.646 56.048 -0.189 0.000 1.471 88 H CB 2.044 31.531 29.762 -0.458 0.000 1.480 88 H HN 1.031 nan 8.280 nan 0.000 0.517 89 A N 3.328 126.127 122.820 -0.036 0.000 2.019 89 A HA -0.184 4.136 4.320 0.000 0.000 0.219 89 A C 2.267 179.822 177.584 -0.048 0.000 1.164 89 A CA 1.561 53.578 52.037 -0.033 0.000 0.644 89 A CB -0.384 18.595 19.000 -0.034 0.000 0.805 89 A HN 0.713 nan 8.150 nan 0.000 0.449 90 S N -0.656 114.998 115.700 -0.078 0.000 2.547 90 S HA 0.081 4.551 4.470 0.000 0.000 0.235 90 S C 1.688 176.235 174.600 -0.089 0.000 0.980 90 S CA 0.833 58.988 58.200 -0.075 0.000 0.941 90 S CB -0.683 62.496 63.200 -0.036 0.000 0.763 90 S HN 0.628 nan 8.310 nan 0.000 0.532 91 G N 1.010 109.697 108.800 -0.188 0.000 2.534 91 G HA2 0.430 4.390 3.960 0.000 0.000 0.217 91 G HA3 0.430 4.390 3.960 0.000 0.000 0.217 91 G C 0.842 175.788 174.900 0.077 0.000 1.128 91 G CA 0.074 45.203 45.100 0.049 0.000 0.784 91 G HN 1.283 nan 8.290 nan 0.000 0.542 92 G N -0.629 108.191 108.800 0.033 0.000 2.663 92 G HA2 -0.168 3.792 3.960 0.000 0.000 0.686 92 G HA3 -0.168 3.792 3.960 0.000 0.000 0.686 92 G C 0.304 175.221 174.900 0.028 0.000 1.288 92 G CA 0.307 45.428 45.100 0.035 0.000 0.836 92 G HN 0.238 nan 8.290 nan 0.000 0.584 93 E N -0.208 120.006 120.200 0.022 0.000 2.077 93 E HA -0.186 4.164 4.350 0.000 0.000 0.193 93 E C 2.469 179.083 176.600 0.023 0.000 0.989 93 E CA 1.654 58.065 56.400 0.019 0.000 0.800 93 E CB -0.033 29.675 29.700 0.012 0.000 0.746 93 E HN 0.477 nan 8.360 nan 0.000 0.452 94 R N 0.642 121.157 120.500 0.025 0.000 2.081 94 R HA -0.111 4.229 4.340 0.000 0.000 0.235 94 R C 2.323 178.641 176.300 0.030 0.000 1.131 94 R CA 1.880 57.995 56.100 0.025 0.000 0.960 94 R CB -0.521 29.794 30.300 0.024 0.000 0.856 94 R HN 0.304 nan 8.270 nan 0.000 0.436 95 M N -0.601 119.022 119.600 0.040 0.000 2.086 95 M HA -0.204 4.276 4.480 0.000 0.000 0.261 95 M C 1.916 178.242 176.300 0.044 0.000 1.067 95 M CA 1.933 57.262 55.300 0.048 0.000 1.116 95 M CB -0.050 32.594 32.600 0.073 0.000 1.348 95 M HN 0.285 nan 8.290 nan 0.000 0.407 96 M N -0.398 119.225 119.600 0.040 0.000 2.132 96 M HA -0.139 4.342 4.480 0.000 0.000 0.263 96 M C 2.323 178.641 176.300 0.031 0.000 1.065 96 M CA 1.715 57.036 55.300 0.035 0.000 1.122 96 M CB -0.602 32.016 32.600 0.031 0.000 1.365 96 M HN 0.467 nan 8.290 nan 0.000 0.411 97 A N 0.400 123.237 122.820 0.028 0.000 1.933 97 A HA -0.034 4.286 4.320 0.000 0.000 0.218 97 A C 2.354 179.953 177.584 0.025 0.000 1.175 97 A CA 1.834 53.886 52.037 0.025 0.000 0.628 97 A CB -0.858 18.155 19.000 0.021 0.000 0.814 97 A HN 0.498 nan 8.150 nan 0.000 0.444 98 A N -0.521 122.314 122.820 0.025 0.000 1.933 98 A HA -0.051 4.270 4.320 0.000 0.000 0.218 98 A C 2.408 180.006 177.584 0.024 0.000 1.175 98 A CA 2.003 54.053 52.037 0.023 0.000 0.628 98 A CB -0.735 18.277 19.000 0.020 0.000 0.814 98 A HN 0.452 nan 8.150 nan 0.000 0.444 99 S N -0.855 114.860 115.700 0.025 0.000 2.383 99 S HA -0.130 4.340 4.470 0.000 0.000 0.227 99 S C 2.057 176.672 174.600 0.024 0.000 1.026 99 S CA 1.228 59.442 58.200 0.024 0.000 0.981 99 S CB -0.298 62.923 63.200 0.035 0.000 0.818 99 S HN 0.713 nan 8.310 nan 0.000 0.472 100 R N 1.400 121.914 120.500 0.024 0.000 2.075 100 R HA -0.079 4.262 4.340 0.000 0.000 0.232 100 R C 1.843 178.164 176.300 0.034 0.000 1.126 100 R CA 1.292 57.406 56.100 0.024 0.000 0.963 100 R CB -0.163 30.151 30.300 0.024 0.000 0.858 100 R HN 0.194 nan 8.270 nan 0.000 0.435 101 E N 0.898 121.118 120.200 0.034 0.000 2.085 101 E HA -0.223 4.127 4.350 0.000 0.000 0.194 101 E C 1.979 178.612 176.600 0.054 0.000 0.994 101 E CA 1.180 57.602 56.400 0.037 0.000 0.801 101 E CB -0.333 29.385 29.700 0.029 0.000 0.743 101 E HN 0.463 nan 8.360 nan 0.000 0.453 102 I N 0.622 121.227 120.570 0.058 0.000 2.614 102 I HA -0.196 3.974 4.170 0.000 0.000 0.258 102 I C 1.838 178.055 176.117 0.167 0.000 1.189 102 I CA 0.544 61.898 61.300 0.090 0.000 1.462 102 I CB 0.139 38.179 38.000 0.067 0.000 1.092 102 I HN 0.033 nan 8.210 nan 0.000 0.442 103 L N -0.167 121.138 121.223 0.135 0.000 2.509 103 L HA -0.052 4.288 4.340 0.000 0.000 0.222 103 L C 2.155 179.162 176.870 0.229 0.000 1.123 103 L CA 0.143 55.103 54.840 0.200 0.000 0.856 103 L CB -0.343 41.752 42.059 0.059 0.000 0.985 103 L HN 0.172 nan 8.230 nan 0.000 0.456 104 E N 1.501 121.780 120.200 0.131 0.000 2.085 104 E HA -0.183 4.167 4.350 0.000 0.000 0.194 104 E C -0.693 175.945 176.600 0.063 0.000 0.994 104 E CA 1.540 57.989 56.400 0.082 0.000 0.801 104 E CB -0.852 28.875 29.700 0.046 0.000 0.743 104 E HN 0.258 nan 8.360 nan 0.000 0.453 105 P HA -0.099 nan 4.420 nan 0.000 0.228 105 P C 0.216 177.393 177.300 -0.204 0.000 1.151 105 P CA 0.955 63.985 63.100 -0.117 0.000 0.770 105 P CB -0.131 31.438 31.700 -0.218 0.000 0.786 106 Y N -0.660 119.644 120.300 0.007 0.000 2.529 106 Y HA 0.208 4.758 4.550 0.000 0.000 0.290 106 Y C 1.934 177.838 175.900 0.007 0.000 1.177 106 Y CA 0.689 58.794 58.100 0.008 0.000 1.305 106 Y CB -0.752 37.714 38.460 0.010 0.000 1.047 106 Y HN -0.004 nan 8.280 nan 0.000 0.522 107 G N 1.242 110.101 108.800 0.098 0.000 2.601 107 G HA2 -0.417 3.543 3.960 0.000 0.000 0.261 107 G HA3 -0.417 3.543 3.960 0.000 0.000 0.261 107 G C 1.049 175.990 174.900 0.067 0.000 1.289 107 G CA 0.283 45.420 45.100 0.061 0.000 0.920 107 G HN 0.476 nan 8.290 nan 0.000 0.571 108 K N 0.001 120.431 120.400 0.049 0.000 2.280 108 K HA -0.019 4.301 4.320 0.000 0.000 0.202 108 K C 1.601 178.233 176.600 0.054 0.000 1.047 108 K CA 2.255 58.569 56.287 0.045 0.000 0.942 108 K CB -0.052 32.470 32.500 0.038 0.000 0.739 108 K HN 0.471 nan 8.250 nan 0.000 0.457 109 E N 1.555 121.794 120.200 0.065 0.000 2.489 109 E HA -0.000 4.350 4.350 0.000 0.000 0.193 109 E C -0.088 176.552 176.600 0.068 0.000 1.057 109 E CA -0.116 56.325 56.400 0.069 0.000 0.866 109 E CB 0.087 29.828 29.700 0.067 0.000 0.916 109 E HN 0.403 nan 8.360 nan 0.000 0.500 110 R N 0.896 121.439 120.500 0.072 0.000 2.784 110 R HA 0.177 4.517 4.340 0.000 0.000 0.266 110 R C -2.251 174.025 176.300 -0.040 0.000 1.044 110 R CA -1.387 54.738 56.100 0.042 0.000 1.151 110 R CB -0.640 29.703 30.300 0.072 0.000 1.037 110 R HN -0.229 nan 8.270 nan 0.000 0.478 111 P HA 0.003 nan 4.420 nan 0.000 0.269 111 P C -0.460 176.714 177.300 -0.211 0.000 1.209 111 P CA -0.094 62.914 63.100 -0.153 0.000 0.776 111 P CB 0.432 32.052 31.700 -0.134 0.000 0.876 112 L N 2.549 123.547 121.223 -0.374 0.000 2.455 112 L HA 0.103 4.443 4.340 0.000 0.000 0.272 112 L C 0.487 177.158 176.870 -0.331 0.000 1.174 112 L CA -0.221 54.379 54.840 -0.400 0.000 0.869 112 L CB -0.038 41.626 42.059 -0.658 0.000 1.130 112 L HN 0.276 nan 8.230 nan 0.000 0.474 113 L N 5.766 126.850 121.223 -0.233 0.000 2.298 113 L HA 0.529 4.870 4.340 0.000 0.000 0.284 113 L C -0.553 176.203 176.870 -0.189 0.000 1.013 113 L CA 0.020 54.761 54.840 -0.165 0.000 0.824 113 L CB 0.857 42.865 42.059 -0.084 0.000 1.221 113 L HN 0.293 nan 8.230 nan 0.000 0.418 114 I N 4.083 124.531 120.570 -0.202 0.000 2.509 114 I HA 0.521 4.691 4.170 0.000 0.000 0.293 114 I C 0.653 176.686 176.117 -0.140 0.000 1.020 114 I CA -0.498 60.664 61.300 -0.229 0.000 1.088 114 I CB 1.599 39.397 38.000 -0.336 0.000 1.267 114 I HN 0.665 nan 8.210 nan 0.000 0.430 115 G N 4.541 113.271 108.800 -0.117 0.000 2.400 115 G HA2 0.535 4.495 3.960 0.000 0.000 0.301 115 G HA3 0.535 4.495 3.960 0.000 0.000 0.301 115 G C -0.727 174.115 174.900 -0.096 0.000 1.154 115 G CA -0.283 44.772 45.100 -0.076 0.000 0.852 115 G HN 0.322 nan 8.290 nan 0.000 0.511 116 V N 1.592 121.422 119.914 -0.141 0.000 2.427 116 V HA 0.397 4.517 4.120 0.000 0.000 0.286 116 V C 1.201 177.240 176.094 -0.093 0.000 1.034 116 V CA 0.112 62.311 62.300 -0.168 0.000 0.893 116 V CB 1.129 32.715 31.823 -0.396 0.000 0.982 116 V HN 1.081 nan 8.190 nan 0.000 0.452 117 T N 2.640 117.167 114.554 -0.044 0.000 3.538 117 T HA 0.239 4.589 4.350 0.000 0.000 0.204 117 T C 0.381 175.092 174.700 0.019 0.000 0.870 117 T CA 0.138 62.218 62.100 -0.032 0.000 1.727 117 T CB 0.176 69.019 68.868 -0.043 0.000 1.685 117 T HN 0.283 nan 8.240 nan 0.000 0.454 118 V N 3.017 122.952 119.914 0.035 0.000 2.417 118 V HA 0.442 4.562 4.120 0.000 0.000 0.291 118 V C 0.050 176.189 176.094 0.075 0.000 1.024 118 V CA -1.024 61.329 62.300 0.090 0.000 0.861 118 V CB 1.161 33.051 31.823 0.112 0.000 0.985 118 V HN 0.494 nan 8.190 nan 0.000 0.436 119 L N 3.848 125.129 121.223 0.098 0.000 2.506 119 L HA 0.043 4.383 4.340 0.000 0.000 0.281 119 L C 2.068 178.971 176.870 0.055 0.000 1.228 119 L CA 0.519 55.405 54.840 0.076 0.000 0.850 119 L CB 0.602 42.719 42.059 0.097 0.000 1.110 119 L HN 0.938 nan 8.230 nan 0.000 0.496 120 T N -3.360 111.218 114.554 0.040 0.000 2.929 120 T HA -0.149 4.202 4.350 0.000 0.000 0.271 120 T C 1.655 176.373 174.700 0.030 0.000 1.085 120 T CA 1.049 63.168 62.100 0.033 0.000 1.125 120 T CB -0.278 68.606 68.868 0.026 0.000 0.874 120 T HN 0.753 nan 8.240 nan 0.000 0.494 121 S N 0.939 116.658 115.700 0.031 0.000 2.489 121 S HA 0.212 4.682 4.470 0.000 0.000 0.228 121 S C 0.960 175.576 174.600 0.027 0.000 0.995 121 S CA -0.136 58.079 58.200 0.025 0.000 0.934 121 S CB -0.568 62.646 63.200 0.023 0.000 0.771 121 S HN 0.393 nan 8.310 nan 0.000 0.522 122 M N 2.562 122.184 119.600 0.036 0.000 2.144 122 M HA 0.497 4.977 4.480 0.000 0.000 0.356 122 M C -0.072 176.249 176.300 0.034 0.000 1.217 122 M CA 0.275 55.597 55.300 0.037 0.000 1.087 122 M CB 0.828 33.459 32.600 0.051 0.000 1.609 122 M HN 0.192 nan 8.290 nan 0.000 0.467 123 E N 0.895 121.109 120.200 0.024 0.000 2.370 123 E HA 0.363 4.714 4.350 0.000 0.000 0.259 123 E C 0.878 177.486 176.600 0.014 0.000 0.947 123 E CA -0.153 56.260 56.400 0.021 0.000 0.809 123 E CB 1.269 30.979 29.700 0.016 0.000 1.300 123 E HN 0.719 nan 8.360 nan 0.000 0.419 124 S N 0.458 116.164 115.700 0.010 0.000 2.406 124 S HA -0.342 4.128 4.470 0.000 0.000 0.242 124 S C 1.895 176.491 174.600 -0.005 0.000 1.079 124 S CA 2.173 60.373 58.200 0.000 0.000 1.133 124 S CB -0.707 62.493 63.200 0.001 0.000 1.005 124 S HN 0.589 nan 8.310 nan 0.000 0.443 125 A N 2.324 125.143 122.820 -0.002 0.000 1.902 125 A HA -0.136 4.184 4.320 0.000 0.000 0.217 125 A C 2.063 179.644 177.584 -0.005 0.000 1.181 125 A CA 1.697 53.731 52.037 -0.004 0.000 0.623 125 A CB -0.901 18.098 19.000 -0.001 0.000 0.818 125 A HN 0.663 nan 8.150 nan 0.000 0.443 126 D N -0.028 120.372 120.400 -0.000 0.000 2.144 126 D HA -0.089 4.551 4.640 0.000 0.000 0.200 126 D C 1.991 178.289 176.300 -0.004 0.000 0.978 126 D CA 1.052 55.053 54.000 0.002 0.000 0.833 126 D CB -0.223 40.584 40.800 0.011 0.000 0.961 126 D HN 0.449 nan 8.370 nan 0.000 0.470 127 L N 0.720 121.937 121.223 -0.010 0.000 2.056 127 L HA -0.175 4.165 4.340 0.000 0.000 0.207 127 L C 2.603 179.444 176.870 -0.049 0.000 1.078 127 L CA 1.012 55.832 54.840 -0.033 0.000 0.749 127 L CB -0.353 41.676 42.059 -0.050 0.000 0.901 127 L HN -0.038 nan 8.230 nan 0.000 0.433 128 Q N -0.271 119.506 119.800 -0.037 0.000 2.124 128 Q HA -0.159 4.181 4.340 0.000 0.000 0.202 128 Q C 2.279 178.262 176.000 -0.028 0.000 0.977 128 Q CA 1.409 57.191 55.803 -0.036 0.000 0.850 128 Q CB -0.407 28.316 28.738 -0.025 0.000 0.901 128 Q HN 0.611 nan 8.270 nan 0.000 0.429 129 G N 1.714 110.502 108.800 -0.020 0.000 2.432 129 G HA2 -0.195 3.766 3.960 0.000 0.000 0.219 129 G HA3 -0.195 3.766 3.960 0.000 0.000 0.219 129 G C 1.366 176.257 174.900 -0.015 0.000 1.135 129 G CA 0.849 45.940 45.100 -0.015 0.000 0.767 129 G HN 0.528 nan 8.290 nan 0.000 0.550 130 I N -3.066 117.493 120.570 -0.019 0.000 3.891 130 I HA 0.557 4.727 4.170 0.000 0.000 0.331 130 I C 1.281 177.383 176.117 -0.026 0.000 1.406 130 I CA 0.227 61.518 61.300 -0.016 0.000 1.139 130 I CB 0.088 38.085 38.000 -0.005 0.000 1.056 130 I HN 0.146 nan 8.210 nan 0.000 0.399 131 G N 1.907 110.687 108.800 -0.035 0.000 2.143 131 G HA2 -0.182 3.778 3.960 0.000 0.000 0.249 131 G HA3 -0.182 3.778 3.960 0.000 0.000 0.249 131 G C -0.042 174.817 174.900 -0.069 0.000 0.981 131 G CA -0.100 44.975 45.100 -0.040 0.000 0.665 131 G HN 0.364 nan 8.290 nan 0.000 0.528 132 I N 1.280 121.785 120.570 -0.109 0.000 2.312 132 I HA 0.364 4.534 4.170 0.000 0.000 0.290 132 I C 1.436 177.467 176.117 -0.144 0.000 1.008 132 I CA -0.448 60.734 61.300 -0.197 0.000 1.226 132 I CB 1.095 38.861 38.000 -0.390 0.000 1.371 132 I HN 0.023 nan 8.210 nan 0.000 0.468 133 L N 4.266 125.422 121.223 -0.110 0.000 2.513 133 L HA 0.065 4.405 4.340 0.000 0.000 0.222 133 L C 1.315 178.152 176.870 -0.056 0.000 1.096 133 L CA 0.166 54.966 54.840 -0.067 0.000 0.857 133 L CB -0.058 41.976 42.059 -0.042 0.000 1.026 133 L HN 0.618 nan 8.230 nan 0.000 0.469 134 S N 0.679 116.337 115.700 -0.070 0.000 2.593 134 S HA 0.513 4.983 4.470 0.000 0.000 0.269 134 S C 0.386 174.978 174.600 -0.014 0.000 1.334 134 S CA -0.640 57.544 58.200 -0.027 0.000 1.015 134 S CB 1.422 64.625 63.200 0.005 0.000 0.912 134 S HN 0.143 nan 8.310 nan 0.000 0.541 135 A N 2.361 125.188 122.820 0.012 0.000 2.511 135 A HA 0.407 4.727 4.320 0.000 0.000 0.242 135 A C -1.163 176.451 177.584 0.050 0.000 1.069 135 A CA -1.279 50.770 52.037 0.021 0.000 0.763 135 A CB -0.689 18.324 19.000 0.021 0.000 1.001 135 A HN 0.710 nan 8.150 nan 0.000 0.498 136 P HA -0.209 nan 4.420 nan 0.000 0.216 136 P C 1.130 178.483 177.300 0.090 0.000 1.154 136 P CA 1.582 64.733 63.100 0.085 0.000 0.865 136 P CB 0.155 31.890 31.700 0.058 0.000 0.789 137 Q N -0.835 118.998 119.800 0.056 0.000 2.119 137 Q HA -0.141 4.200 4.340 0.000 0.000 0.201 137 Q C 1.816 177.835 176.000 0.031 0.000 0.972 137 Q CA 1.449 57.275 55.803 0.040 0.000 0.847 137 Q CB -0.815 27.941 28.738 0.030 0.000 0.903 137 Q HN 0.302 nan 8.270 nan 0.000 0.433 138 D N -0.938 119.487 120.400 0.042 0.000 2.144 138 D HA -0.140 4.500 4.640 0.000 0.000 0.200 138 D C 1.680 178.012 176.300 0.054 0.000 0.978 138 D CA 1.125 55.142 54.000 0.030 0.000 0.833 138 D CB -0.211 40.609 40.800 0.033 0.000 0.961 138 D HN 0.326 nan 8.370 nan 0.000 0.470 139 H N 0.561 119.624 119.070 -0.012 0.000 2.389 139 H HA -0.009 4.548 4.556 0.000 0.000 0.299 139 H C 1.948 177.273 175.328 -0.006 0.000 1.081 139 H CA 0.986 57.030 56.048 -0.007 0.000 1.345 139 H CB -0.200 29.563 29.762 0.001 0.000 1.393 139 H HN -0.128 nan 8.280 nan 0.000 0.520 140 V N 0.397 120.287 119.914 -0.041 0.000 2.287 140 V HA -0.230 3.890 4.120 0.000 0.000 0.248 140 V C 2.557 178.593 176.094 -0.096 0.000 1.053 140 V CA 1.712 63.962 62.300 -0.083 0.000 1.027 140 V CB -0.725 31.092 31.823 -0.009 0.000 0.646 140 V HN 0.378 nan 8.190 nan 0.000 0.447 141 L N 0.333 121.509 121.223 -0.077 0.000 2.046 141 L HA -0.147 4.193 4.340 0.000 0.000 0.208 141 L C 2.576 179.368 176.870 -0.131 0.000 1.077 141 L CA 2.147 56.921 54.840 -0.111 0.000 0.747 141 L CB -0.783 41.188 42.059 -0.147 0.000 0.896 141 L HN 0.259 nan 8.230 nan 0.000 0.432 142 R N -0.588 119.839 120.500 -0.122 0.000 2.080 142 R HA -0.180 4.160 4.340 0.000 0.000 0.236 142 R C 2.251 178.471 176.300 -0.133 0.000 1.137 142 R CA 2.165 58.197 56.100 -0.114 0.000 0.943 142 R CB -0.467 29.790 30.300 -0.071 0.000 0.846 142 R HN 0.459 nan 8.270 nan 0.000 0.431 143 L N 0.197 121.301 121.223 -0.200 0.000 2.093 143 L HA -0.071 4.269 4.340 0.000 0.000 0.208 143 L C 2.756 179.581 176.870 -0.075 0.000 1.085 143 L CA 1.121 55.865 54.840 -0.160 0.000 0.755 143 L CB -0.530 41.388 42.059 -0.234 0.000 0.904 143 L HN 0.364 nan 8.230 nan 0.000 0.435 144 A N -0.323 122.462 122.820 -0.059 0.000 1.930 144 A HA -0.164 4.156 4.320 0.000 0.000 0.217 144 A C 2.353 179.913 177.584 -0.040 0.000 1.175 144 A CA 2.152 54.200 52.037 0.018 0.000 0.627 144 A CB -0.773 18.254 19.000 0.046 0.000 0.815 144 A HN 0.365 nan 8.150 nan 0.000 0.443 145 T N 0.046 114.538 114.554 -0.103 0.000 2.821 145 T HA -0.096 4.255 4.350 0.000 0.000 0.267 145 T C 1.798 176.440 174.700 -0.097 0.000 1.046 145 T CA 1.360 63.377 62.100 -0.138 0.000 1.139 145 T CB -0.314 68.472 68.868 -0.137 0.000 0.871 145 T HN 0.258 nan 8.240 nan 0.000 0.454 146 L N 1.225 122.410 121.223 -0.064 0.000 2.042 146 L HA -0.110 4.230 4.340 0.000 0.000 0.210 146 L C 2.567 179.431 176.870 -0.010 0.000 1.076 146 L CA 1.802 56.620 54.840 -0.036 0.000 0.749 146 L CB -1.141 40.898 42.059 -0.032 0.000 0.893 146 L HN 0.210 nan 8.230 nan 0.000 0.432 147 T N -0.873 113.692 114.554 0.019 0.000 2.674 147 T HA -0.238 4.112 4.350 0.000 0.000 0.265 147 T C 1.869 176.640 174.700 0.118 0.000 1.039 147 T CA 1.698 63.852 62.100 0.090 0.000 1.150 147 T CB -0.233 68.737 68.868 0.171 0.000 0.864 147 T HN 0.166 nan 8.240 nan 0.000 0.427 148 K N 1.881 122.292 120.400 0.019 0.000 2.032 148 K HA -0.084 4.236 4.320 0.000 0.000 0.209 148 K C 1.918 178.482 176.600 -0.060 0.000 1.048 148 K CA 1.482 57.680 56.287 -0.148 0.000 0.927 148 K CB -0.486 31.680 32.500 -0.556 0.000 0.712 148 K HN 0.149 nan 8.250 nan 0.000 0.441 149 N N 0.112 118.775 118.700 -0.062 0.000 2.396 149 N HA -0.045 4.695 4.740 0.000 0.000 0.180 149 N C 1.068 176.574 175.510 -0.006 0.000 1.028 149 N CA 1.119 54.147 53.050 -0.037 0.000 0.893 149 N CB -0.093 38.369 38.487 -0.041 0.000 0.967 149 N HN 0.363 nan 8.380 nan 0.000 0.440 150 A N -0.121 122.706 122.820 0.012 0.000 2.238 150 A HA 0.392 4.712 4.320 0.000 0.000 0.208 150 A C 1.461 179.066 177.584 0.035 0.000 1.177 150 A CA 0.724 52.775 52.037 0.023 0.000 0.804 150 A CB -0.303 18.714 19.000 0.027 0.000 0.823 150 A HN 0.276 nan 8.150 nan 0.000 0.482 151 G N -1.615 107.213 108.800 0.047 0.000 2.136 151 G HA2 -0.178 3.782 3.960 0.000 0.000 0.242 151 G HA3 -0.178 3.782 3.960 0.000 0.000 0.242 151 G C -0.026 174.923 174.900 0.081 0.000 0.989 151 G CA 0.255 45.390 45.100 0.058 0.000 0.682 151 G HN 0.326 nan 8.290 nan 0.000 0.522 152 L N 0.598 121.889 121.223 0.113 0.000 2.476 152 L HA 0.407 4.747 4.340 0.000 0.000 0.255 152 L C 1.535 178.468 176.870 0.105 0.000 1.218 152 L CA 0.404 55.294 54.840 0.083 0.000 0.819 152 L CB 0.402 42.494 42.059 0.054 0.000 1.119 152 L HN 0.092 nan 8.230 nan 0.000 0.485 153 D N -0.167 120.191 120.400 -0.070 0.000 2.333 153 D HA 0.206 4.846 4.640 0.000 0.000 0.208 153 D C 0.684 176.673 176.300 -0.518 0.000 0.984 153 D CA 0.985 54.884 54.000 -0.169 0.000 0.873 153 D CB 0.788 41.471 40.800 -0.195 0.000 0.935 153 D HN 0.625 nan 8.370 nan 0.000 0.521 154 G N -0.351 107.948 108.800 -0.835 0.000 2.323 154 G HA2 0.388 4.349 3.960 0.000 0.000 0.291 154 G HA3 0.388 4.349 3.960 0.000 0.000 0.291 154 G C -1.594 172.834 174.900 -0.787 0.000 1.278 154 G CA -0.169 44.036 45.100 -1.491 0.000 0.860 154 G HN 0.164 nan 8.290 nan 0.000 0.504 155 V N -2.889 116.709 119.914 -0.528 0.000 3.159 155 V HA 0.873 4.993 4.120 0.000 0.000 0.308 155 V C -0.169 175.839 176.094 -0.143 0.000 1.190 155 V CA -1.138 61.044 62.300 -0.197 0.000 1.037 155 V CB 1.392 33.214 31.823 -0.001 0.000 1.060 155 V HN 1.058 nan 8.190 nan 0.000 0.437 156 V N 1.984 121.846 119.914 -0.086 0.000 2.530 156 V HA 0.603 4.723 4.120 0.000 0.000 0.282 156 V C 0.471 176.562 176.094 -0.005 0.000 1.048 156 V CA 0.537 62.816 62.300 -0.034 0.000 0.997 156 V CB 0.563 32.386 31.823 0.000 0.000 0.987 156 V HN 1.474 nan 8.190 nan 0.000 0.477 157 C N 2.655 121.963 119.300 0.013 0.000 3.288 157 C HA 0.828 5.288 4.460 0.000 0.000 0.318 157 C C 0.127 175.136 174.990 0.032 0.000 1.356 157 C CA -0.532 58.502 59.018 0.026 0.000 1.359 157 C CB 1.180 28.943 27.740 0.037 0.000 1.688 157 C HN 0.930 nan 8.230 nan 0.000 0.467 158 S N 1.470 117.190 115.700 0.033 0.000 2.632 158 S HA 0.577 5.047 4.470 0.000 0.000 0.267 158 S C 1.185 175.804 174.600 0.032 0.000 1.276 158 S CA 0.199 58.418 58.200 0.032 0.000 0.998 158 S CB 1.160 64.378 63.200 0.030 0.000 0.953 158 S HN 2.256 nan 8.310 nan 0.000 0.547 159 A N 0.893 123.730 122.820 0.029 0.000 1.972 159 A HA -0.092 4.229 4.320 0.000 0.000 0.219 159 A C 2.160 179.760 177.584 0.026 0.000 1.169 159 A CA 1.649 53.701 52.037 0.026 0.000 0.635 159 A CB -1.092 17.922 19.000 0.023 0.000 0.810 159 A HN 0.866 nan 8.150 nan 0.000 0.446 160 Q N -0.023 119.793 119.800 0.027 0.000 2.167 160 Q HA -0.127 4.213 4.340 0.000 0.000 0.202 160 Q C 1.687 177.706 176.000 0.032 0.000 0.970 160 Q CA 1.753 57.572 55.803 0.027 0.000 0.855 160 Q CB -0.222 28.531 28.738 0.026 0.000 0.911 160 Q HN 0.807 nan 8.270 nan 0.000 0.438 161 E N 0.086 120.308 120.200 0.036 0.000 2.230 161 E HA 0.032 4.382 4.350 0.000 0.000 0.192 161 E C 1.883 178.514 176.600 0.052 0.000 0.987 161 E CA 0.458 56.884 56.400 0.044 0.000 0.841 161 E CB -0.061 29.664 29.700 0.042 0.000 0.783 161 E HN 0.373 nan 8.360 nan 0.000 0.481 162 A N 1.155 124.002 122.820 0.046 0.000 1.873 162 A HA -0.266 4.054 4.320 0.000 0.000 0.218 162 A C 2.343 179.958 177.584 0.052 0.000 1.193 162 A CA 2.056 54.123 52.037 0.049 0.000 0.629 162 A CB -0.715 18.304 19.000 0.033 0.000 0.826 162 A HN 0.150 nan 8.150 nan 0.000 0.447 163 S N -0.854 114.870 115.700 0.040 0.000 2.368 163 S HA -0.114 4.356 4.470 0.000 0.000 0.225 163 S C 1.853 176.478 174.600 0.042 0.000 1.030 163 S CA 1.400 59.619 58.200 0.033 0.000 0.999 163 S CB -0.384 62.828 63.200 0.020 0.000 0.844 163 S HN 0.459 nan 8.310 nan 0.000 0.459 164 L N 1.726 122.985 121.223 0.060 0.000 2.093 164 L HA 0.090 4.430 4.340 0.000 0.000 0.208 164 L C 1.905 178.867 176.870 0.153 0.000 1.085 164 L CA 1.452 56.351 54.840 0.098 0.000 0.755 164 L CB -0.568 41.564 42.059 0.122 0.000 0.904 164 L HN 0.274 nan 8.230 nan 0.000 0.435 165 L N -0.675 120.624 121.223 0.127 0.000 2.046 165 L HA -0.223 4.117 4.340 0.000 0.000 0.208 165 L C 2.591 179.535 176.870 0.124 0.000 1.077 165 L CA 1.318 56.239 54.840 0.136 0.000 0.747 165 L CB -0.683 41.461 42.059 0.142 0.000 0.896 165 L HN 0.256 nan 8.230 nan 0.000 0.432 166 K N -0.151 120.310 120.400 0.102 0.000 2.097 166 K HA -0.249 4.071 4.320 0.000 0.000 0.206 166 K C 2.020 178.639 176.600 0.031 0.000 1.049 166 K CA 1.350 57.685 56.287 0.080 0.000 0.933 166 K CB -0.221 32.314 32.500 0.059 0.000 0.717 166 K HN 0.398 nan 8.250 nan 0.000 0.442 167 Q N 0.397 120.199 119.800 0.003 0.000 2.050 167 Q HA -0.187 4.153 4.340 0.000 0.000 0.202 167 Q C 2.011 177.937 176.000 -0.123 0.000 0.980 167 Q CA 1.402 57.158 55.803 -0.077 0.000 0.840 167 Q CB 0.080 28.742 28.738 -0.126 0.000 0.898 167 Q HN 0.452 nan 8.270 nan 0.000 0.424 168 H N -0.643 118.406 119.070 -0.036 0.000 2.403 168 H HA 0.034 4.590 4.556 0.000 0.000 0.298 168 H C 1.728 176.991 175.328 -0.108 0.000 1.059 168 H CA 1.111 57.122 56.048 -0.062 0.000 1.363 168 H CB 0.422 30.145 29.762 -0.065 0.000 1.410 168 H HN 0.283 nan 8.280 nan 0.000 0.528 169 L N -0.571 120.644 121.223 -0.013 0.000 2.664 169 L HA 0.293 4.633 4.340 0.000 0.000 0.233 169 L C 0.508 177.286 176.870 -0.153 0.000 1.113 169 L CA 0.212 54.925 54.840 -0.213 0.000 0.896 169 L CB 0.859 42.605 42.059 -0.522 0.000 1.163 169 L HN 0.229 nan 8.230 nan 0.000 0.497 170 G N 0.425 109.208 108.800 -0.029 0.000 2.640 170 G HA2 -0.142 3.818 3.960 0.000 0.000 0.686 170 G HA3 -0.142 3.818 3.960 0.000 0.000 0.686 170 G C 0.034 174.980 174.900 0.077 0.000 1.229 170 G CA -0.741 44.370 45.100 0.019 0.000 0.796 170 G HN 0.079 nan 8.290 nan 0.000 0.654 171 R N 0.218 120.749 120.500 0.053 0.000 2.152 171 R HA -0.043 4.297 4.340 0.000 0.000 0.232 171 R C 1.761 178.104 176.300 0.071 0.000 1.117 171 R CA 1.489 57.621 56.100 0.052 0.000 0.981 171 R CB 0.053 30.370 30.300 0.027 0.000 0.870 171 R HN 0.542 nan 8.270 nan 0.000 0.451 172 E N 0.005 120.259 120.200 0.089 0.000 2.442 172 E HA -0.010 4.340 4.350 0.000 0.000 0.195 172 E C -0.214 176.469 176.600 0.138 0.000 1.030 172 E CA -0.005 56.450 56.400 0.091 0.000 0.869 172 E CB 0.046 29.791 29.700 0.076 0.000 0.857 172 E HN 0.087 nan 8.360 nan 0.000 0.505 173 F N 2.667 122.616 119.950 -0.002 0.000 2.541 173 F HA 0.024 4.551 4.527 0.000 0.000 0.378 173 F C 0.596 176.393 175.800 -0.005 0.000 1.068 173 F CA -0.169 57.827 58.000 -0.007 0.000 1.199 173 F CB 0.330 39.327 39.000 -0.004 0.000 1.091 173 F HN -0.367 nan 8.300 nan 0.000 0.555 174 K N 7.021 127.219 120.400 -0.335 0.000 2.322 174 K HA 0.354 4.674 4.320 0.000 0.000 0.283 174 K C -0.914 175.529 176.600 -0.262 0.000 1.042 174 K CA -0.156 55.997 56.287 -0.224 0.000 0.958 174 K CB 0.653 33.054 32.500 -0.165 0.000 0.984 174 K HN 0.571 nan 8.250 nan 0.000 0.473 175 L N 3.753 124.919 121.223 -0.095 0.000 2.319 175 L HA 0.373 4.713 4.340 0.000 0.000 0.281 175 L C -0.762 176.112 176.870 0.006 0.000 1.005 175 L CA -1.125 53.683 54.840 -0.054 0.000 0.828 175 L CB 1.552 43.609 42.059 -0.004 0.000 1.227 175 L HN 0.276 nan 8.230 nan 0.000 0.415 176 V N 2.216 122.126 119.914 -0.007 0.000 2.347 176 V HA 0.415 4.535 4.120 0.000 0.000 0.280 176 V C 0.105 176.232 176.094 0.055 0.000 1.021 176 V CA -0.251 62.079 62.300 0.050 0.000 0.847 176 V CB 1.693 33.472 31.823 -0.075 0.000 0.990 176 V HN 0.729 nan 8.190 nan 0.000 0.444 177 T N 8.279 122.884 114.554 0.086 0.000 2.786 177 T HA 0.506 4.856 4.350 0.000 0.000 0.283 177 T C -2.600 172.150 174.700 0.082 0.000 0.992 177 T CA -1.010 61.131 62.100 0.069 0.000 0.954 177 T CB 2.226 71.126 68.868 0.052 0.000 0.934 177 T HN 0.492 nan 8.240 nan 0.000 0.440 178 P HA 0.515 nan 4.420 nan 0.000 0.287 178 P C 0.708 178.036 177.300 0.048 0.000 1.296 178 P CA -0.230 62.910 63.100 0.067 0.000 0.811 178 P CB 0.940 32.676 31.700 0.059 0.000 1.211 179 G N -0.885 107.938 108.800 0.039 0.000 2.162 179 G HA2 -0.175 3.785 3.960 0.000 0.000 0.260 179 G HA3 -0.175 3.785 3.960 0.000 0.000 0.260 179 G C 0.051 174.968 174.900 0.028 0.000 0.976 179 G CA -0.219 44.898 45.100 0.028 0.000 0.655 179 G HN 0.434 nan 8.290 nan 0.000 0.533 180 I N 0.756 121.347 120.570 0.034 0.000 2.396 180 I HA 0.496 4.666 4.170 0.000 0.000 0.292 180 I C 0.892 177.028 176.117 0.031 0.000 0.999 180 I CA -0.601 60.718 61.300 0.032 0.000 1.310 180 I CB 1.184 39.206 38.000 0.036 0.000 1.404 180 I HN 0.119 nan 8.210 nan 0.000 0.496 181 R N 5.733 126.249 120.500 0.026 0.000 2.664 181 R HA 0.505 4.845 4.340 0.000 0.000 0.286 181 R C -2.453 173.864 176.300 0.028 0.000 0.967 181 R CA -1.740 54.376 56.100 0.025 0.000 0.933 181 R CB 1.155 31.466 30.300 0.019 0.000 1.146 181 R HN 0.306 nan 8.270 nan 0.000 0.468 182 P HA -0.067 nan 4.420 nan 0.000 0.264 182 P C -0.004 177.313 177.300 0.027 0.000 1.183 182 P CA 0.337 63.457 63.100 0.033 0.000 0.763 182 P CB 0.750 32.474 31.700 0.039 0.000 0.807 183 A N 3.947 126.782 122.820 0.025 0.000 1.972 183 A HA -0.084 4.237 4.320 0.000 0.000 0.219 183 A C 2.157 179.753 177.584 0.021 0.000 1.169 183 A CA 1.990 54.039 52.037 0.021 0.000 0.635 183 A CB -1.473 17.538 19.000 0.018 0.000 0.810 183 A HN 0.636 nan 8.150 nan 0.000 0.446 184 G N -0.990 107.824 108.800 0.024 0.000 2.813 184 G HA2 0.258 4.218 3.960 0.000 0.000 0.209 184 G HA3 0.258 4.218 3.960 0.000 0.000 0.209 184 G C 0.706 175.622 174.900 0.027 0.000 1.150 184 G CA 0.674 45.789 45.100 0.025 0.000 0.785 184 G HN 0.436 nan 8.290 nan 0.000 0.535 185 S N -0.089 115.627 115.700 0.027 0.000 2.681 185 S HA 0.319 4.789 4.470 0.000 0.000 0.270 185 S C 0.007 174.620 174.600 0.021 0.000 1.209 185 S CA -0.612 57.604 58.200 0.026 0.000 0.988 185 S CB 1.360 64.576 63.200 0.027 0.000 1.006 185 S HN 0.391 nan 8.310 nan 0.000 0.558 186 E N 0.895 121.106 120.200 0.019 0.000 2.384 186 E HA 0.075 4.426 4.350 0.000 0.000 0.266 186 E C -0.000 176.608 176.600 0.013 0.000 1.012 186 E CA 0.135 56.544 56.400 0.015 0.000 0.901 186 E CB 0.153 29.861 29.700 0.013 0.000 0.967 186 E HN 0.520 nan 8.360 nan 0.000 0.435 187 Q N 0.492 120.299 119.800 0.011 0.000 2.362 187 Q HA -0.248 4.092 4.340 0.000 0.000 0.220 187 Q C 1.049 177.057 176.000 0.012 0.000 0.713 187 Q CA 0.638 56.447 55.803 0.010 0.000 1.345 187 Q CB -1.582 27.161 28.738 0.008 0.000 1.570 187 Q HN 0.847 nan 8.270 nan 0.000 0.701 188 G N 0.953 109.761 108.800 0.014 0.000 2.712 188 G HA2 -0.116 3.844 3.960 0.000 0.000 0.212 188 G HA3 -0.116 3.844 3.960 0.000 0.000 0.212 188 G C 0.879 175.788 174.900 0.015 0.000 1.142 188 G CA 0.781 45.890 45.100 0.016 0.000 0.789 188 G HN 0.559 nan 8.290 nan 0.000 0.535 189 D N 0.014 120.422 120.400 0.013 0.000 2.348 189 D HA 0.026 4.667 4.640 0.000 0.000 0.211 189 D C 0.665 176.971 176.300 0.010 0.000 0.998 189 D CA -0.029 53.978 54.000 0.011 0.000 0.873 189 D CB -0.127 40.680 40.800 0.011 0.000 0.925 189 D HN 0.105 nan 8.370 nan 0.000 0.524 190 Q N 0.785 120.591 119.800 0.010 0.000 2.330 190 Q HA 0.197 4.538 4.340 0.000 0.000 0.279 190 Q C 1.071 177.077 176.000 0.010 0.000 1.024 190 Q CA 0.330 56.139 55.803 0.010 0.000 0.900 190 Q CB 0.903 29.646 28.738 0.009 0.000 1.221 190 Q HN 0.159 nan 8.270 nan 0.000 0.396 191 R N 1.770 122.276 120.500 0.009 0.000 2.210 191 R HA -0.012 4.328 4.340 0.000 0.000 0.203 191 R C 1.626 177.932 176.300 0.010 0.000 1.010 191 R CA 0.751 56.856 56.100 0.009 0.000 1.008 191 R CB 0.056 30.361 30.300 0.008 0.000 0.923 191 R HN 0.574 nan 8.270 nan 0.000 0.469 192 R N 0.819 121.325 120.500 0.010 0.000 2.189 192 R HA 0.018 4.358 4.340 0.000 0.000 0.223 192 R C 0.375 176.682 176.300 0.012 0.000 1.092 192 R CA 0.975 57.081 56.100 0.010 0.000 0.989 192 R CB -0.157 30.149 30.300 0.010 0.000 0.876 192 R HN 0.093 nan 8.270 nan 0.000 0.457 193 I N 1.712 122.290 120.570 0.012 0.000 2.474 193 I HA 0.260 4.431 4.170 0.000 0.000 0.294 193 I C 0.221 176.347 176.117 0.015 0.000 1.005 193 I CA -1.278 60.030 61.300 0.014 0.000 1.113 193 I CB 2.043 40.052 38.000 0.015 0.000 1.289 193 I HN -0.010 nan 8.210 nan 0.000 0.436 194 M N 4.080 123.690 119.600 0.016 0.000 2.252 194 M HA 0.101 4.581 4.480 0.000 0.000 0.333 194 M C 0.648 176.958 176.300 0.017 0.000 1.111 194 M CA 0.219 55.528 55.300 0.015 0.000 1.140 194 M CB 0.436 33.046 32.600 0.016 0.000 1.538 194 M HN 0.682 nan 8.290 nan 0.000 0.448 195 T N -0.160 114.403 114.554 0.015 0.000 2.816 195 T HA 0.243 4.593 4.350 0.000 0.000 0.282 195 T C -2.109 172.602 174.700 0.018 0.000 0.993 195 T CA -1.617 60.493 62.100 0.017 0.000 0.994 195 T CB 0.521 69.398 68.868 0.015 0.000 1.025 195 T HN 0.380 nan 8.240 nan 0.000 0.529 196 P HA -0.062 nan 4.420 nan 0.000 0.215 196 P C 1.688 178.995 177.300 0.013 0.000 1.153 196 P CA 1.623 64.736 63.100 0.021 0.000 0.853 196 P CB -0.355 31.361 31.700 0.026 0.000 0.788 197 A N -0.448 122.378 122.820 0.011 0.000 1.902 197 A HA -0.270 4.051 4.320 0.000 0.000 0.217 197 A C 2.242 179.828 177.584 0.004 0.000 1.181 197 A CA 1.688 53.729 52.037 0.006 0.000 0.623 197 A CB -1.327 17.676 19.000 0.006 0.000 0.818 197 A HN 0.205 nan 8.150 nan 0.000 0.443 198 Q N -0.773 119.031 119.800 0.007 0.000 2.119 198 Q HA -0.046 4.295 4.340 0.000 0.000 0.201 198 Q C 2.428 178.432 176.000 0.007 0.000 0.972 198 Q CA 1.250 57.057 55.803 0.007 0.000 0.847 198 Q CB -0.354 28.389 28.738 0.009 0.000 0.903 198 Q HN 0.689 nan 8.270 nan 0.000 0.433 199 A N 1.002 123.828 122.820 0.009 0.000 1.873 199 A HA -0.166 4.154 4.320 0.000 0.000 0.215 199 A C 1.979 179.563 177.584 0.001 0.000 1.186 199 A CA 1.083 53.126 52.037 0.010 0.000 0.616 199 A CB -0.445 18.565 19.000 0.017 0.000 0.823 199 A HN 0.237 nan 8.150 nan 0.000 0.442 200 I N 0.136 120.703 120.570 -0.006 0.000 2.226 200 I HA -0.227 3.944 4.170 0.000 0.000 0.245 200 I C 2.896 179.002 176.117 -0.018 0.000 1.100 200 I CA 1.434 62.721 61.300 -0.021 0.000 1.374 200 I CB -1.643 36.341 38.000 -0.026 0.000 1.057 200 I HN 0.361 nan 8.210 nan 0.000 0.413 201 A N 0.155 122.970 122.820 -0.009 0.000 1.972 201 A HA -0.141 4.179 4.320 0.000 0.000 0.219 201 A C 2.468 180.050 177.584 -0.004 0.000 1.169 201 A CA 1.788 53.821 52.037 -0.007 0.000 0.635 201 A CB -0.659 18.339 19.000 -0.003 0.000 0.810 201 A HN 0.418 nan 8.150 nan 0.000 0.446 202 S N -1.876 113.824 115.700 0.000 0.000 2.515 202 S HA 0.292 4.762 4.470 0.000 0.000 0.231 202 S C 1.446 176.050 174.600 0.007 0.000 0.987 202 S CA 1.075 59.278 58.200 0.006 0.000 0.936 202 S CB 0.101 63.307 63.200 0.011 0.000 0.766 202 S HN 1.468 nan 8.310 nan 0.000 0.528 203 G N 0.505 109.305 108.800 -0.001 0.000 2.296 203 G HA2 -0.179 3.781 3.960 0.000 0.000 0.188 203 G HA3 -0.179 3.781 3.960 0.000 0.000 0.188 203 G C 0.105 174.997 174.900 -0.014 0.000 1.000 203 G CA -0.199 44.900 45.100 -0.002 0.000 0.672 203 G HN 0.397 nan 8.290 nan 0.000 0.483 204 S N 1.397 117.089 115.700 -0.015 0.000 2.546 204 S HA 0.289 4.759 4.470 0.000 0.000 0.290 204 S C 0.797 175.345 174.600 -0.087 0.000 1.290 204 S CA 0.319 58.503 58.200 -0.026 0.000 1.069 204 S CB 1.106 64.303 63.200 -0.005 0.000 0.846 204 S HN 0.329 nan 8.310 nan 0.000 0.495 205 D N 0.763 121.080 120.400 -0.138 0.000 2.277 205 D HA 0.098 4.738 4.640 0.000 0.000 0.209 205 D C -0.378 175.493 176.300 -0.715 0.000 0.970 205 D CA 1.139 54.912 54.000 -0.378 0.000 0.874 205 D CB 0.300 40.891 40.800 -0.348 0.000 0.982 205 D HN 0.515 nan 8.370 nan 0.000 0.504 206 Y N -0.333 119.986 120.300 0.032 0.000 2.524 206 Y HA 0.468 5.018 4.550 0.000 0.000 0.347 206 Y C -0.392 175.540 175.900 0.053 0.000 1.005 206 Y CA -0.841 57.295 58.100 0.060 0.000 1.025 206 Y CB 1.904 40.424 38.460 0.101 0.000 1.275 206 Y HN -0.336 nan 8.280 nan 0.000 0.460 207 L N 3.194 124.548 121.223 0.219 0.000 2.343 207 L HA 0.584 4.925 4.340 0.000 0.000 0.278 207 L C -1.022 175.950 176.870 0.170 0.000 0.996 207 L CA -1.061 53.869 54.840 0.149 0.000 0.831 207 L CB 1.612 43.730 42.059 0.098 0.000 1.232 207 L HN 0.326 nan 8.230 nan 0.000 0.413 208 V N 5.232 125.241 119.914 0.160 0.000 2.408 208 V HA 0.391 4.511 4.120 0.000 0.000 0.267 208 V C 0.190 176.344 176.094 0.101 0.000 1.047 208 V CA 0.053 62.446 62.300 0.156 0.000 0.937 208 V CB 1.163 33.090 31.823 0.173 0.000 0.999 208 V HN 0.502 nan 8.190 nan 0.000 0.472 209 I N 3.634 124.258 120.570 0.089 0.000 2.582 209 I HA 0.618 4.788 4.170 0.000 0.000 0.292 209 I C 0.850 176.984 176.117 0.030 0.000 1.066 209 I CA -0.295 61.039 61.300 0.057 0.000 1.053 209 I CB 2.229 40.268 38.000 0.066 0.000 1.241 209 I HN 0.670 nan 8.210 nan 0.000 0.421 210 G N 3.972 112.768 108.800 -0.008 0.000 2.583 210 G HA2 0.173 4.133 3.960 0.000 0.000 0.214 210 G HA3 0.173 4.133 3.960 0.000 0.000 0.214 210 G C 1.089 175.934 174.900 -0.092 0.000 2.072 210 G CA -0.149 44.913 45.100 -0.064 0.000 0.745 210 G HN 0.516 nan 8.290 nan 0.000 0.762 211 R N 1.115 121.557 120.500 -0.097 0.000 2.105 211 R HA -0.077 4.263 4.340 0.000 0.000 0.239 211 R C -0.321 175.948 176.300 -0.052 0.000 1.135 211 R CA 1.699 57.739 56.100 -0.101 0.000 0.967 211 R CB -0.999 29.247 30.300 -0.089 0.000 0.861 211 R HN 0.292 nan 8.270 nan 0.000 0.442 212 P HA -0.137 nan 4.420 nan 0.000 0.219 212 P C 0.974 178.294 177.300 0.033 0.000 1.146 212 P CA 1.327 64.433 63.100 0.009 0.000 0.808 212 P CB 0.064 31.776 31.700 0.019 0.000 0.779 213 I N -1.547 119.043 120.570 0.034 0.000 2.729 213 I HA -0.085 4.085 4.170 0.000 0.000 0.256 213 I C 2.187 178.364 176.117 0.100 0.000 1.115 213 I CA 1.515 62.876 61.300 0.101 0.000 1.446 213 I CB -1.093 36.996 38.000 0.149 0.000 1.176 213 I HN -0.021 nan 8.210 nan 0.000 0.446 214 T N -1.641 112.844 114.554 -0.115 0.000 2.962 214 T HA -0.108 4.242 4.350 0.000 0.000 0.270 214 T C 1.638 176.286 174.700 -0.087 0.000 1.088 214 T CA 0.858 62.748 62.100 -0.351 0.000 1.127 214 T CB -0.128 68.385 68.868 -0.590 0.000 0.883 214 T HN 0.212 nan 8.240 nan 0.000 0.493 215 Q N 0.708 120.486 119.800 -0.038 0.000 2.360 215 Q HA 0.459 4.799 4.340 0.000 0.000 0.202 215 Q C 1.008 177.032 176.000 0.040 0.000 0.915 215 Q CA 0.137 55.939 55.803 -0.002 0.000 0.943 215 Q CB 0.190 28.913 28.738 -0.024 0.000 1.064 215 Q HN 0.735 nan 8.270 nan 0.000 0.511 216 A N 0.503 123.367 122.820 0.075 0.000 2.445 216 A HA 0.410 4.730 4.320 0.000 0.000 0.242 216 A C 1.291 178.906 177.584 0.052 0.000 1.075 216 A CA 0.625 52.711 52.037 0.081 0.000 0.777 216 A CB 0.471 19.541 19.000 0.116 0.000 1.013 216 A HN 0.281 nan 8.150 nan 0.000 0.493 217 A N 1.009 123.838 122.820 0.015 0.000 1.969 217 A HA 0.013 4.333 4.320 0.000 0.000 0.218 217 A C 0.918 178.254 177.584 -0.413 0.000 1.169 217 A CA 1.131 53.084 52.037 -0.140 0.000 0.635 217 A CB -0.294 18.672 19.000 -0.056 0.000 0.810 217 A HN 0.801 nan 8.150 nan 0.000 0.445 218 H N -1.222 117.886 119.070 0.063 0.000 2.448 218 H HA 0.185 4.742 4.556 0.000 0.000 0.237 218 H C -2.162 173.206 175.328 0.067 0.000 1.391 218 H CA -1.427 54.652 56.048 0.052 0.000 1.477 218 H CB 0.837 30.620 29.762 0.034 0.000 1.520 218 H HN 0.309 nan 8.280 nan 0.000 0.502 219 P HA -0.194 nan 4.420 nan 0.000 0.219 219 P C 1.486 178.861 177.300 0.124 0.000 1.146 219 P CA 1.066 64.270 63.100 0.172 0.000 0.808 219 P CB 0.657 32.522 31.700 0.275 0.000 0.779 220 E N 0.156 120.410 120.200 0.090 0.000 2.110 220 E HA -0.119 4.231 4.350 0.000 0.000 0.193 220 E C 1.811 178.456 176.600 0.074 0.000 0.988 220 E CA 1.080 57.520 56.400 0.067 0.000 0.804 220 E CB -0.228 29.503 29.700 0.051 0.000 0.745 220 E HN -0.004 nan 8.360 nan 0.000 0.458 221 V N 0.517 120.487 119.914 0.095 0.000 2.358 221 V HA -0.207 3.914 4.120 0.000 0.000 0.246 221 V C 2.444 178.579 176.094 0.068 0.000 1.047 221 V CA 1.269 63.609 62.300 0.067 0.000 1.035 221 V CB -0.162 31.697 31.823 0.060 0.000 0.658 221 V HN 0.194 nan 8.190 nan 0.000 0.452 222 V N -0.185 119.783 119.914 0.090 0.000 2.343 222 V HA -0.270 3.850 4.120 0.000 0.000 0.247 222 V C 2.336 178.475 176.094 0.076 0.000 1.051 222 V CA 1.965 64.314 62.300 0.083 0.000 1.036 222 V CB -0.560 31.322 31.823 0.099 0.000 0.654 222 V HN 0.425 nan 8.190 nan 0.000 0.451 223 L N 0.382 121.656 121.223 0.086 0.000 2.017 223 L HA -0.227 4.113 4.340 0.000 0.000 0.208 223 L C 2.820 179.724 176.870 0.056 0.000 1.073 223 L CA 2.255 57.142 54.840 0.079 0.000 0.745 223 L CB -0.685 41.427 42.059 0.088 0.000 0.894 223 L HN 0.572 nan 8.230 nan 0.000 0.432 224 E N -0.028 120.200 120.200 0.047 0.000 2.153 224 E HA -0.264 4.087 4.350 0.000 0.000 0.194 224 E C 1.755 178.373 176.600 0.029 0.000 0.988 224 E CA 1.343 57.762 56.400 0.032 0.000 0.811 224 E CB -0.294 29.419 29.700 0.023 0.000 0.746 224 E HN 0.554 nan 8.360 nan 0.000 0.466 225 E N 0.932 121.152 120.200 0.033 0.000 2.072 225 E HA -0.116 4.234 4.350 0.000 0.000 0.191 225 E C 2.199 178.817 176.600 0.029 0.000 0.985 225 E CA 1.177 57.594 56.400 0.028 0.000 0.801 225 E CB -0.120 29.599 29.700 0.031 0.000 0.750 225 E HN 0.335 nan 8.360 nan 0.000 0.452 226 I N 1.646 122.238 120.570 0.038 0.000 2.127 226 I HA -0.298 3.872 4.170 0.000 0.000 0.241 226 I C 2.053 178.189 176.117 0.031 0.000 1.075 226 I CA 0.843 62.165 61.300 0.037 0.000 1.334 226 I CB -0.344 37.686 38.000 0.050 0.000 1.040 226 I HN 0.104 nan 8.210 nan 0.000 0.405 227 N N 0.310 119.029 118.700 0.032 0.000 2.069 227 N HA -0.202 4.539 4.740 0.000 0.000 0.191 227 N C 2.018 177.537 175.510 0.015 0.000 1.031 227 N CA 1.744 54.808 53.050 0.024 0.000 0.852 227 N CB -0.533 37.968 38.487 0.024 0.000 1.018 227 N HN 0.223 nan 8.380 nan 0.000 0.423 228 S N 0.437 116.146 115.700 0.014 0.000 2.399 228 S HA -0.116 4.354 4.470 0.000 0.000 0.231 228 S C 2.033 176.638 174.600 0.008 0.000 1.022 228 S CA 1.756 59.962 58.200 0.009 0.000 0.983 228 S CB -0.293 62.912 63.200 0.009 0.000 0.803 228 S HN 0.545 nan 8.310 nan 0.000 0.480 229 S N 0.537 116.243 115.700 0.011 0.000 2.453 229 S HA 0.179 4.649 4.470 0.000 0.000 0.231 229 S C 0.906 175.510 174.600 0.006 0.000 1.005 229 S CA -0.006 58.200 58.200 0.010 0.000 0.949 229 S CB -0.547 62.661 63.200 0.013 0.000 0.774 229 S HN 0.469 nan 8.310 nan 0.000 0.510 230 L N 0.000 121.227 121.223 0.006 0.000 2.949 230 L HA 0.000 4.340 4.340 0.000 0.000 0.249 230 L CA 0.000 54.840 54.840 -0.000 0.000 0.813 230 L CB 0.000 42.059 42.059 -0.001 0.000 0.961 230 L HN 0.000 nan 8.230 nan 0.000 0.502