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 3jsk_1_L DATA FIRST_RESID 35 DATA SEQUENCE GLSKPLLELM PTLGTDAFTF SPIRESTVSR AMTRRYFADL DAHAETDIVI DATA SEQUENCE VGAGSCGLSA AYVLSTLRPD LRITIVEAGV APGGGAWLGG QLFSAMVMRK DATA SEQUENCE PADVFLDEVG VPYEDEGDYV VVKHAALFTS TVLSKVLQRP NVKLFNATTV DATA SEQUENCE EDLITRKHXX XXXXXXXXXX XXXXXKVRIA GVVTNWTLVS MHHDDQSXMD DATA SEQUENCE PNTINAPVII STTGHDGPFG AFSVKRLVSM KQMERLNGMR GLDMQSAEDA DATA SEQUENCE IVNNTREIVP GLIVGGMELS EIDGANRMGP TFGAMALSGV KAAHEAIRVF DATA SEQUENCE DLRKAQND 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 35 G HA2 0.000 nan 3.960 nan 0.000 0.244 35 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 35 G C 0.000 174.896 174.900 -0.006 0.000 0.946 35 G CA 0.000 45.096 45.100 -0.006 0.000 0.502 36 L N 1.210 122.429 121.223 -0.006 0.000 2.439 36 L HA 0.510 4.850 4.340 -0.000 0.000 0.259 36 L C 1.454 178.322 176.870 -0.004 0.000 1.129 36 L CA -0.635 54.202 54.840 -0.005 0.000 0.803 36 L CB 1.488 43.543 42.059 -0.007 0.000 1.161 36 L HN 0.770 nan 8.230 nan 0.000 0.462 37 S N 0.238 115.937 115.700 -0.002 0.000 2.576 37 S HA 0.083 4.553 4.470 -0.000 0.000 0.272 37 S C 0.696 175.296 174.600 -0.000 0.000 1.352 37 S CA -0.464 57.736 58.200 0.000 0.000 1.021 37 S CB 0.895 64.097 63.200 0.003 0.000 0.887 37 S HN 0.601 nan 8.310 nan 0.000 0.542 38 K N 1.407 121.808 120.400 0.001 0.000 2.057 38 K HA 0.001 4.321 4.320 -0.000 0.000 0.206 38 K C -0.920 175.682 176.600 0.002 0.000 1.050 38 K CA 1.227 57.514 56.287 0.000 0.000 0.935 38 K CB -1.280 31.221 32.500 0.001 0.000 0.715 38 K HN 0.485 nan 8.250 nan 0.000 0.439 39 P HA -0.200 nan 4.420 nan 0.000 0.215 39 P C 1.340 178.645 177.300 0.009 0.000 1.157 39 P CA 0.941 64.047 63.100 0.010 0.000 0.874 39 P CB 0.094 31.802 31.700 0.014 0.000 0.790 40 L N -0.921 120.306 121.223 0.006 0.000 2.017 40 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 40 L C 2.195 179.060 176.870 -0.008 0.000 1.073 40 L CA 1.742 56.583 54.840 0.001 0.000 0.745 40 L CB -1.448 40.610 42.059 -0.001 0.000 0.894 40 L HN -0.122 nan 8.230 nan 0.000 0.432 41 L N -0.638 120.581 121.223 -0.007 0.000 2.079 41 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 41 L C 2.501 179.365 176.870 -0.009 0.000 1.081 41 L CA 1.559 56.393 54.840 -0.010 0.000 0.752 41 L CB -0.489 41.565 42.059 -0.008 0.000 0.896 41 L HN 0.392 nan 8.230 nan 0.000 0.433 42 E N -0.421 119.777 120.200 -0.003 0.000 2.152 42 E HA -0.225 4.125 4.350 -0.000 0.000 0.192 42 E C 2.017 178.617 176.600 0.001 0.000 0.983 42 E CA 0.750 57.150 56.400 -0.000 0.000 0.818 42 E CB 0.012 29.715 29.700 0.005 0.000 0.758 42 E HN 0.260 nan 8.360 nan 0.000 0.467 43 L N 0.441 121.665 121.223 0.001 0.000 2.072 43 L HA -0.104 4.236 4.340 -0.000 0.000 0.205 43 L C 2.011 178.860 176.870 -0.035 0.000 1.079 43 L CA 1.525 56.366 54.840 0.002 0.000 0.752 43 L CB -0.271 41.793 42.059 0.007 0.000 0.906 43 L HN 0.133 nan 8.230 nan 0.000 0.436 44 M N -0.141 119.430 119.600 -0.049 0.000 2.113 44 M HA -0.232 4.248 4.480 -0.000 0.000 0.255 44 M C -0.165 176.097 176.300 -0.064 0.000 1.073 44 M CA 2.661 57.919 55.300 -0.070 0.000 1.091 44 M CB -1.757 30.811 32.600 -0.052 0.000 1.309 44 M HN 0.182 nan 8.290 nan 0.000 0.407 45 P HA -0.113 nan 4.420 nan 0.000 0.221 45 P C 1.283 178.569 177.300 -0.024 0.000 1.145 45 P CA 1.275 64.359 63.100 -0.027 0.000 0.795 45 P CB -0.181 31.510 31.700 -0.015 0.000 0.775 46 T N -0.303 114.240 114.554 -0.018 0.000 2.737 46 T HA -0.026 4.324 4.350 -0.000 0.000 0.265 46 T C 0.779 175.473 174.700 -0.010 0.000 1.038 46 T CA 0.470 62.579 62.100 0.015 0.000 1.144 46 T CB -0.801 68.106 68.868 0.065 0.000 0.866 46 T HN 0.003 nan 8.240 nan 0.000 0.434 47 L N 1.070 122.216 121.223 -0.130 0.000 2.578 47 L HA 0.246 4.586 4.340 -0.000 0.000 0.279 47 L C 1.729 178.526 176.870 -0.121 0.000 1.227 47 L CA 0.514 55.202 54.840 -0.255 0.000 0.900 47 L CB -0.163 41.695 42.059 -0.335 0.000 1.144 47 L HN 0.520 nan 8.230 nan 0.000 0.496 48 G N 1.502 110.248 108.800 -0.090 0.000 2.213 48 G HA2 -0.258 3.703 3.960 -0.000 0.000 0.236 48 G HA3 -0.258 3.703 3.960 -0.000 0.000 0.236 48 G C 0.270 175.173 174.900 0.005 0.000 0.991 48 G CA 0.184 45.263 45.100 -0.035 0.000 0.629 48 G HN 0.851 nan 8.290 nan 0.000 0.517 49 T N -2.402 112.167 114.554 0.026 0.000 2.950 49 T HA 0.604 4.954 4.350 -0.000 0.000 0.288 49 T C 0.659 175.396 174.700 0.060 0.000 1.035 49 T CA 0.279 62.400 62.100 0.035 0.000 1.028 49 T CB 1.862 70.745 68.868 0.025 0.000 1.109 49 T HN -0.127 nan 8.240 nan 0.000 0.514 50 D N 0.673 121.095 120.400 0.036 0.000 2.351 50 D HA 0.001 4.641 4.640 -0.000 0.000 0.216 50 D C 2.059 178.369 176.300 0.016 0.000 0.968 50 D CA 1.015 55.030 54.000 0.025 0.000 0.899 50 D CB -0.374 40.432 40.800 0.010 0.000 0.907 50 D HN 0.748 nan 8.370 nan 0.000 0.514 51 A N 0.296 123.135 122.820 0.032 0.000 2.121 51 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 51 A C 0.854 178.456 177.584 0.030 0.000 1.154 51 A CA 0.191 52.242 52.037 0.023 0.000 0.679 51 A CB -0.351 18.668 19.000 0.031 0.000 0.795 51 A HN 0.183 nan 8.150 nan 0.000 0.458 52 F N -0.265 119.636 119.950 -0.082 0.000 2.399 52 F HA 0.589 5.116 4.527 -0.000 0.000 0.334 52 F C 0.021 175.735 175.800 -0.144 0.000 1.097 52 F CA 0.139 58.059 58.000 -0.133 0.000 1.076 52 F CB 1.651 40.551 39.000 -0.167 0.000 1.162 52 F HN -0.096 nan 8.300 nan 0.000 0.495 53 T N 5.794 119.438 114.554 -1.517 0.000 3.087 53 T HA 0.349 4.699 4.350 -0.000 0.000 0.351 53 T C -1.233 172.821 174.700 -1.078 0.000 1.520 53 T CA -0.542 60.938 62.100 -1.032 0.000 1.111 53 T CB 0.162 68.789 68.868 -0.402 0.000 1.353 53 T HN 0.433 nan 8.240 nan 0.000 0.481 54 F N 2.185 121.797 119.950 -0.565 0.000 2.380 54 F HA 0.511 5.038 4.527 0.000 0.000 0.325 54 F C 1.644 177.337 175.800 -0.177 0.000 1.136 54 F CA -0.210 57.621 58.000 -0.280 0.000 1.171 54 F CB 1.107 40.057 39.000 -0.084 0.000 1.230 54 F HN 0.462 nan 8.300 nan 0.000 0.554 55 S N 1.530 117.308 115.700 0.129 0.000 2.587 55 S HA 0.161 4.631 4.470 -0.000 0.000 0.260 55 S C -2.162 172.465 174.600 0.045 0.000 1.353 55 S CA -0.891 57.337 58.200 0.048 0.000 0.995 55 S CB 0.110 63.338 63.200 0.047 0.000 0.912 55 S HN 0.284 nan 8.310 nan 0.000 0.568 56 P HA 0.503 nan 4.420 nan 0.000 0.272 56 P C -0.936 176.368 177.300 0.007 0.000 1.223 56 P CA -0.243 62.864 63.100 0.011 0.000 0.784 56 P CB 0.436 32.137 31.700 0.002 0.000 0.923 57 I N 0.832 121.402 120.570 -0.000 0.000 3.004 57 I HA 0.562 4.732 4.170 -0.000 0.000 0.305 57 I C -1.458 174.653 176.117 -0.010 0.000 1.312 57 I CA -1.007 60.287 61.300 -0.009 0.000 0.992 57 I CB 2.322 40.307 38.000 -0.026 0.000 1.282 57 I HN 0.133 nan 8.210 nan 0.000 0.449 58 R N 3.297 123.790 120.500 -0.011 0.000 2.561 58 R HA 0.572 4.912 4.340 -0.000 0.000 0.297 58 R C 0.325 176.617 176.300 -0.013 0.000 0.969 58 R CA -0.218 55.876 56.100 -0.010 0.000 0.879 58 R CB 1.488 31.785 30.300 -0.006 0.000 1.178 58 R HN 0.642 nan 8.270 nan 0.000 0.445 59 E N 0.961 121.153 120.200 -0.015 0.000 2.086 59 E HA -0.248 4.102 4.350 -0.000 0.000 0.200 59 E C 1.338 177.930 176.600 -0.013 0.000 1.012 59 E CA 2.582 58.972 56.400 -0.017 0.000 0.812 59 E CB -0.101 29.589 29.700 -0.018 0.000 0.743 59 E HN 0.788 nan 8.360 nan 0.000 0.453 60 S N -0.398 115.296 115.700 -0.009 0.000 2.420 60 S HA -0.217 4.253 4.470 -0.000 0.000 0.237 60 S C 1.989 176.588 174.600 -0.001 0.000 1.023 60 S CA 1.617 59.813 58.200 -0.006 0.000 0.991 60 S CB -0.754 62.443 63.200 -0.005 0.000 0.792 60 S HN 0.198 nan 8.310 nan 0.000 0.488 61 T N 2.274 116.827 114.554 -0.002 0.000 2.701 61 T HA -0.004 4.346 4.350 -0.000 0.000 0.263 61 T C 1.936 176.639 174.700 0.004 0.000 1.040 61 T CA 1.455 63.556 62.100 0.002 0.000 1.147 61 T CB -0.559 68.308 68.868 -0.002 0.000 0.865 61 T HN 0.330 nan 8.240 nan 0.000 0.426 62 V N 1.320 121.232 119.914 -0.004 0.000 2.343 62 V HA -0.156 3.964 4.120 -0.000 0.000 0.247 62 V C 2.714 178.812 176.094 0.008 0.000 1.051 62 V CA 1.876 64.173 62.300 -0.004 0.000 1.036 62 V CB -0.897 30.914 31.823 -0.020 0.000 0.654 62 V HN 0.489 nan 8.190 nan 0.000 0.451 63 S N -0.219 115.484 115.700 0.005 0.000 2.359 63 S HA -0.249 4.221 4.470 -0.000 0.000 0.224 63 S C 2.212 176.834 174.600 0.036 0.000 1.035 63 S CA 1.892 60.100 58.200 0.014 0.000 1.018 63 S CB -0.228 62.974 63.200 0.003 0.000 0.876 63 S HN 0.563 nan 8.310 nan 0.000 0.448 64 R N 0.506 121.025 120.500 0.031 0.000 2.092 64 R HA 0.068 4.408 4.340 -0.000 0.000 0.231 64 R C 2.660 178.998 176.300 0.063 0.000 1.119 64 R CA 1.134 57.260 56.100 0.043 0.000 0.970 64 R CB -0.567 29.749 30.300 0.027 0.000 0.864 64 R HN 0.497 nan 8.270 nan 0.000 0.440 65 A N 1.117 123.967 122.820 0.049 0.000 1.883 65 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 65 A C 2.154 179.786 177.584 0.081 0.000 1.186 65 A CA 1.652 53.721 52.037 0.054 0.000 0.624 65 A CB -0.422 18.599 19.000 0.034 0.000 0.822 65 A HN 0.193 nan 8.150 nan 0.000 0.444 66 M N -0.496 119.154 119.600 0.083 0.000 2.098 66 M HA -0.102 4.378 4.480 -0.000 0.000 0.262 66 M C 2.515 178.936 176.300 0.201 0.000 1.072 66 M CA 1.989 57.356 55.300 0.112 0.000 1.133 66 M CB -1.079 31.560 32.600 0.065 0.000 1.344 66 M HN 0.650 nan 8.290 nan 0.000 0.414 67 T N -0.786 113.900 114.554 0.221 0.000 2.684 67 T HA -0.202 4.148 4.350 -0.000 0.000 0.267 67 T C 1.900 176.879 174.700 0.465 0.000 1.036 67 T CA 1.526 63.870 62.100 0.406 0.000 1.148 67 T CB -0.548 68.477 68.868 0.261 0.000 0.863 67 T HN 0.315 nan 8.240 nan 0.000 0.436 68 R N 1.017 121.673 120.500 0.259 0.000 2.097 68 R HA -0.062 4.278 4.340 -0.000 0.000 0.236 68 R C 2.981 179.422 176.300 0.235 0.000 1.135 68 R CA 1.754 57.982 56.100 0.214 0.000 0.934 68 R CB -0.185 30.191 30.300 0.126 0.000 0.846 68 R HN 0.443 nan 8.270 nan 0.000 0.431 69 R N -1.368 119.251 120.500 0.199 0.000 2.096 69 R HA -0.190 4.150 4.340 -0.000 0.000 0.235 69 R C 2.204 178.615 176.300 0.186 0.000 1.127 69 R CA 1.669 57.866 56.100 0.162 0.000 0.968 69 R CB -0.450 29.925 30.300 0.125 0.000 0.861 69 R HN 0.334 nan 8.270 nan 0.000 0.440 70 Y N 0.380 120.751 120.300 0.119 0.000 2.109 70 Y HA -0.167 4.383 4.550 -0.000 0.000 0.285 70 Y C 1.756 177.645 175.900 -0.020 0.000 1.131 70 Y CA 1.508 59.632 58.100 0.040 0.000 1.121 70 Y CB -0.323 38.128 38.460 -0.015 0.000 0.987 70 Y HN -0.126 nan 8.280 nan 0.000 0.495 71 F N -0.386 119.732 119.950 0.280 0.000 2.494 71 F HA -0.137 4.390 4.527 -0.000 0.000 0.298 71 F C 2.291 178.150 175.800 0.099 0.000 1.106 71 F CA 0.856 58.962 58.000 0.176 0.000 1.452 71 F CB -0.600 38.504 39.000 0.173 0.000 1.085 71 F HN 0.152 nan 8.300 nan 0.000 0.569 72 A N -0.401 122.530 122.820 0.184 0.000 1.935 72 A HA -0.083 4.237 4.320 -0.000 0.000 0.214 72 A C 2.005 179.646 177.584 0.094 0.000 1.178 72 A CA 1.301 53.414 52.037 0.128 0.000 0.640 72 A CB -0.418 18.649 19.000 0.111 0.000 0.825 72 A HN 0.180 nan 8.150 nan 0.000 0.447 73 D N -0.068 120.359 120.400 0.046 0.000 2.144 73 D HA -0.101 4.539 4.640 -0.000 0.000 0.200 73 D C 1.758 178.198 176.300 0.233 0.000 0.978 73 D CA 0.796 54.862 54.000 0.109 0.000 0.833 73 D CB -0.240 40.459 40.800 -0.168 0.000 0.961 73 D HN 0.234 nan 8.370 nan 0.000 0.470 74 L N 1.318 122.544 121.223 0.005 0.000 2.046 74 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 74 L C 1.931 178.815 176.870 0.023 0.000 1.077 74 L CA 1.625 56.413 54.840 -0.085 0.000 0.747 74 L CB -0.796 41.119 42.059 -0.241 0.000 0.896 74 L HN -0.067 nan 8.230 nan 0.000 0.432 75 D N -0.982 119.459 120.400 0.069 0.000 2.084 75 D HA -0.125 4.515 4.640 -0.000 0.000 0.196 75 D C 2.138 178.469 176.300 0.051 0.000 0.985 75 D CA 1.348 55.388 54.000 0.068 0.000 0.826 75 D CB 0.094 40.945 40.800 0.085 0.000 0.978 75 D HN 0.254 nan 8.370 nan 0.000 0.456 76 A N -0.528 122.327 122.820 0.060 0.000 1.972 76 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 76 A C 1.807 179.305 177.584 -0.142 0.000 1.169 76 A CA 1.315 53.329 52.037 -0.039 0.000 0.635 76 A CB -0.679 18.281 19.000 -0.066 0.000 0.810 76 A HN 0.470 nan 8.150 nan 0.000 0.446 77 H N -1.429 117.669 119.070 0.047 0.000 2.586 77 H HA 0.344 4.900 4.556 -0.000 0.000 0.273 77 H C 2.157 177.493 175.328 0.013 0.000 0.997 77 H CA 0.523 56.609 56.048 0.064 0.000 1.177 77 H CB 0.135 30.012 29.762 0.192 0.000 1.471 77 H HN 0.555 nan 8.280 nan 0.000 0.538 78 A N 1.200 124.059 122.820 0.064 0.000 1.978 78 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 78 A C 1.041 178.632 177.584 0.012 0.000 1.170 78 A CA 1.280 53.321 52.037 0.007 0.000 0.636 78 A CB 0.003 19.000 19.000 -0.004 0.000 0.810 78 A HN 0.230 nan 8.150 nan 0.000 0.448 79 E N -0.800 119.407 120.200 0.013 0.000 2.267 79 E HA 0.507 4.857 4.350 -0.000 0.000 0.248 79 E C -0.406 176.198 176.600 0.007 0.000 0.899 79 E CA -0.127 56.279 56.400 0.010 0.000 0.764 79 E CB 1.005 30.706 29.700 0.001 0.000 1.227 79 E HN 0.179 nan 8.360 nan 0.000 0.421 80 T N 1.860 116.437 114.554 0.039 0.000 2.807 80 T HA 0.326 4.676 4.350 -0.000 0.000 0.277 80 T C -0.025 174.728 174.700 0.088 0.000 1.006 80 T CA -0.467 61.660 62.100 0.045 0.000 1.006 80 T CB 0.970 69.906 68.868 0.114 0.000 1.274 80 T HN 0.347 nan 8.240 nan 0.000 0.569 81 D N 0.028 120.483 120.400 0.092 0.000 2.414 81 D HA 0.305 4.945 4.640 -0.000 0.000 0.237 81 D C 0.233 176.629 176.300 0.159 0.000 0.975 81 D CA 0.825 54.927 54.000 0.170 0.000 0.917 81 D CB 0.495 41.316 40.800 0.035 0.000 1.061 81 D HN 0.417 nan 8.370 nan 0.000 0.480 82 I N 1.354 121.957 120.570 0.055 0.000 2.499 82 I HA 0.225 4.395 4.170 -0.000 0.000 0.288 82 I C -0.925 175.232 176.117 0.067 0.000 1.048 82 I CA -0.742 60.589 61.300 0.051 0.000 1.062 82 I CB 3.090 41.069 38.000 -0.034 0.000 1.238 82 I HN -0.359 nan 8.210 nan 0.000 0.426 83 V N 7.187 127.147 119.914 0.076 0.000 2.370 83 V HA 0.453 4.573 4.120 -0.000 0.000 0.283 83 V C 0.023 176.154 176.094 0.062 0.000 1.023 83 V CA -0.401 61.943 62.300 0.074 0.000 0.857 83 V CB 1.941 33.806 31.823 0.070 0.000 0.985 83 V HN 0.469 nan 8.190 nan 0.000 0.443 84 I N 5.416 126.021 120.570 0.057 0.000 2.330 84 I HA 0.352 4.522 4.170 -0.000 0.000 0.289 84 I C -0.396 175.751 176.117 0.051 0.000 1.001 84 I CA -0.671 60.661 61.300 0.053 0.000 1.193 84 I CB 1.856 39.885 38.000 0.048 0.000 1.345 84 I HN 0.265 nan 8.210 nan 0.000 0.461 85 V N 5.911 125.856 119.914 0.052 0.000 2.334 85 V HA 0.660 4.780 4.120 -0.000 0.000 0.267 85 V C 0.542 176.663 176.094 0.046 0.000 1.040 85 V CA -0.301 62.023 62.300 0.040 0.000 0.866 85 V CB 0.504 32.353 31.823 0.044 0.000 1.019 85 V HN 1.059 nan 8.190 nan 0.000 0.468 86 G N 4.277 113.102 108.800 0.041 0.000 3.373 86 G HA2 0.236 4.196 3.960 -0.000 0.000 0.685 86 G HA3 0.236 4.196 3.960 -0.000 0.000 0.685 86 G C -0.172 174.758 174.900 0.051 0.000 1.166 86 G CA -0.375 44.752 45.100 0.046 0.000 1.063 86 G HN 1.365 nan 8.290 nan 0.000 0.481 87 A N 1.781 124.635 122.820 0.056 0.000 3.258 87 A HA 0.757 5.077 4.320 -0.000 0.000 0.275 87 A C 1.362 178.976 177.584 0.050 0.000 1.452 87 A CA 1.051 53.121 52.037 0.055 0.000 1.120 87 A CB -0.254 18.782 19.000 0.060 0.000 1.107 87 A HN 1.972 nan 8.150 nan 0.000 0.651 88 G N -0.465 108.366 108.800 0.051 0.000 2.531 88 G HA2 0.381 4.341 3.960 -0.000 0.000 0.281 88 G HA3 0.381 4.341 3.960 -0.000 0.000 0.281 88 G C 1.243 176.185 174.900 0.071 0.000 1.382 88 G CA 0.396 45.524 45.100 0.048 0.000 1.045 88 G HN 0.642 nan 8.290 nan 0.000 0.533 89 S N -1.409 114.358 115.700 0.111 0.000 2.374 89 S HA -0.260 4.210 4.470 -0.000 0.000 0.227 89 S C 2.349 177.045 174.600 0.159 0.000 1.037 89 S CA 1.599 59.925 58.200 0.210 0.000 1.024 89 S CB -1.076 62.265 63.200 0.234 0.000 0.861 89 S HN 0.618 nan 8.310 nan 0.000 0.456 90 C N 2.336 121.692 119.300 0.093 0.000 2.473 90 C HA 0.168 4.628 4.460 -0.000 0.000 0.279 90 C C 3.097 178.122 174.990 0.058 0.000 1.250 90 C CA 0.808 59.856 59.018 0.051 0.000 1.713 90 C CB -1.780 25.979 27.740 0.031 0.000 2.066 90 C HN 0.657 nan 8.230 nan 0.000 0.474 91 G N 0.629 109.465 108.800 0.061 0.000 2.491 91 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 91 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 91 G C 1.620 176.565 174.900 0.075 0.000 1.180 91 G CA 1.277 46.414 45.100 0.061 0.000 0.774 91 G HN 0.606 nan 8.290 nan 0.000 0.562 92 L N 0.459 121.730 121.223 0.081 0.000 2.046 92 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 92 L C 3.209 180.170 176.870 0.151 0.000 1.077 92 L CA 1.235 56.128 54.840 0.089 0.000 0.747 92 L CB -0.391 41.694 42.059 0.043 0.000 0.896 92 L HN 0.198 nan 8.230 nan 0.000 0.432 93 S N -0.322 115.477 115.700 0.164 0.000 2.382 93 S HA -0.158 4.311 4.470 -0.000 0.000 0.228 93 S C 2.133 176.854 174.600 0.202 0.000 1.027 93 S CA 1.184 59.510 58.200 0.211 0.000 0.991 93 S CB -0.175 62.992 63.200 -0.055 0.000 0.823 93 S HN 0.507 nan 8.310 nan 0.000 0.469 94 A N 1.565 124.454 122.820 0.116 0.000 1.855 94 A HA 0.172 4.492 4.320 -0.000 0.000 0.215 94 A C 2.379 180.035 177.584 0.120 0.000 1.191 94 A CA 1.601 53.700 52.037 0.102 0.000 0.613 94 A CB -1.205 17.834 19.000 0.064 0.000 0.829 94 A HN 0.507 nan 8.150 nan 0.000 0.442 95 A N -1.365 121.521 122.820 0.111 0.000 1.940 95 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 95 A C 2.139 179.784 177.584 0.101 0.000 1.176 95 A CA 1.846 53.933 52.037 0.083 0.000 0.631 95 A CB -0.859 18.182 19.000 0.069 0.000 0.814 95 A HN 0.789 nan 8.150 nan 0.000 0.446 96 Y N 0.450 120.790 120.300 0.067 0.000 2.089 96 Y HA -0.180 4.370 4.550 -0.000 0.000 0.282 96 Y C 2.385 178.334 175.900 0.081 0.000 1.139 96 Y CA 2.206 60.348 58.100 0.070 0.000 1.123 96 Y CB -0.467 38.060 38.460 0.112 0.000 0.980 96 Y HN 0.050 nan 8.280 nan 0.000 0.493 97 V N 0.417 120.516 119.914 0.309 0.000 2.332 97 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 97 V C 2.371 178.467 176.094 0.002 0.000 1.055 97 V CA 1.857 64.261 62.300 0.173 0.000 1.038 97 V CB -0.989 31.008 31.823 0.289 0.000 0.651 97 V HN 0.504 nan 8.190 nan 0.000 0.450 98 L N 1.133 122.367 121.223 0.017 0.000 1.994 98 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 98 L C 2.746 179.565 176.870 -0.085 0.000 1.071 98 L CA 2.603 57.426 54.840 -0.028 0.000 0.745 98 L CB -0.822 41.227 42.059 -0.017 0.000 0.892 98 L HN 0.513 nan 8.230 nan 0.000 0.431 99 S N -2.928 112.710 115.700 -0.104 0.000 2.447 99 S HA -0.150 4.320 4.470 -0.000 0.000 0.233 99 S C 1.759 176.259 174.600 -0.167 0.000 1.006 99 S CA 1.448 59.573 58.200 -0.125 0.000 0.957 99 S CB -0.874 62.258 63.200 -0.114 0.000 0.773 99 S HN 0.538 nan 8.310 nan 0.000 0.507 100 T N 2.102 116.511 114.554 -0.241 0.000 2.978 100 T HA 0.292 4.642 4.350 -0.000 0.000 0.262 100 T C 1.548 176.167 174.700 -0.135 0.000 1.063 100 T CA 0.829 62.778 62.100 -0.252 0.000 1.140 100 T CB -0.246 68.360 68.868 -0.437 0.000 0.886 100 T HN 0.319 nan 8.240 nan 0.000 0.470 101 L N 0.049 121.215 121.223 -0.096 0.000 2.446 101 L HA 0.186 4.526 4.340 -0.000 0.000 0.219 101 L C 0.678 177.515 176.870 -0.056 0.000 1.116 101 L CA 0.553 55.364 54.840 -0.048 0.000 0.844 101 L CB 0.210 42.265 42.059 -0.007 0.000 0.970 101 L HN -0.076 nan 8.230 nan 0.000 0.457 102 R N -0.606 119.844 120.500 -0.082 0.000 2.639 102 R HA 0.248 4.588 4.340 -0.000 0.000 0.273 102 R C -2.137 174.107 176.300 -0.095 0.000 1.732 102 R CA -1.727 54.317 56.100 -0.093 0.000 1.586 102 R CB 0.492 30.710 30.300 -0.136 0.000 1.263 102 R HN -0.123 nan 8.270 nan 0.000 0.615 103 P HA -0.152 nan 4.420 nan 0.000 0.220 103 P C 0.919 178.182 177.300 -0.061 0.000 1.148 103 P CA 1.092 64.152 63.100 -0.067 0.000 0.803 103 P CB 0.344 32.011 31.700 -0.054 0.000 0.782 104 D N -0.386 119.978 120.400 -0.060 0.000 2.178 104 D HA -0.113 4.527 4.640 -0.000 0.000 0.202 104 D C 0.677 176.936 176.300 -0.069 0.000 0.974 104 D CA 0.669 54.639 54.000 -0.050 0.000 0.841 104 D CB -0.763 40.018 40.800 -0.033 0.000 0.953 104 D HN 0.192 nan 8.370 nan 0.000 0.478 105 L N 0.850 122.003 121.223 -0.116 0.000 2.349 105 L HA 0.275 4.615 4.340 -0.000 0.000 0.275 105 L C 0.879 177.683 176.870 -0.110 0.000 1.115 105 L CA -0.710 54.031 54.840 -0.165 0.000 0.820 105 L CB 1.051 42.918 42.059 -0.321 0.000 1.135 105 L HN -0.108 nan 8.230 nan 0.000 0.445 106 R N 4.123 124.572 120.500 -0.084 0.000 2.202 106 R HA 0.494 4.834 4.340 -0.000 0.000 0.334 106 R C -0.995 175.307 176.300 0.004 0.000 1.036 106 R CA -0.351 55.723 56.100 -0.043 0.000 0.878 106 R CB 0.464 30.707 30.300 -0.096 0.000 1.067 106 R HN 0.583 nan 8.270 nan 0.000 0.457 107 I N 4.201 124.796 120.570 0.041 0.000 2.339 107 I HA 0.210 4.380 4.170 -0.000 0.000 0.290 107 I C -0.326 175.852 176.117 0.102 0.000 0.994 107 I CA -0.676 60.652 61.300 0.047 0.000 1.191 107 I CB 2.198 40.196 38.000 -0.003 0.000 1.343 107 I HN 0.589 nan 8.210 nan 0.000 0.458 108 T N 7.253 121.881 114.554 0.122 0.000 2.801 108 T HA 0.501 4.851 4.350 -0.000 0.000 0.306 108 T C 0.065 174.806 174.700 0.069 0.000 1.020 108 T CA -0.286 61.880 62.100 0.109 0.000 0.948 108 T CB 0.327 69.339 68.868 0.240 0.000 0.962 108 T HN 0.284 nan 8.240 nan 0.000 0.465 109 I N 3.641 124.220 120.570 0.014 0.000 2.301 109 I HA 0.264 4.434 4.170 -0.000 0.000 0.292 109 I C -0.150 176.015 176.117 0.080 0.000 1.046 109 I CA -0.741 60.580 61.300 0.035 0.000 1.282 109 I CB 0.995 39.000 38.000 0.008 0.000 1.409 109 I HN 0.261 nan 8.210 nan 0.000 0.484 110 V N 5.761 125.728 119.914 0.088 0.000 2.318 110 V HA 0.263 4.383 4.120 -0.000 0.000 0.271 110 V C 0.007 176.138 176.094 0.061 0.000 1.030 110 V CA -0.540 61.817 62.300 0.095 0.000 0.844 110 V CB 1.097 32.940 31.823 0.034 0.000 1.015 110 V HN 0.658 nan 8.190 nan 0.000 0.460 111 E N 4.259 124.510 120.200 0.085 0.000 2.171 111 E HA 0.703 5.053 4.350 -0.000 0.000 0.271 111 E C 0.694 177.341 176.600 0.079 0.000 0.916 111 E CA 0.017 56.462 56.400 0.075 0.000 0.774 111 E CB 1.964 31.716 29.700 0.087 0.000 1.128 111 E HN 0.533 nan 8.360 nan 0.000 0.403 112 A N 3.967 126.820 122.820 0.055 0.000 1.855 112 A HA 0.151 4.471 4.320 -0.000 0.000 0.215 112 A C 1.313 178.943 177.584 0.077 0.000 1.191 112 A CA 1.295 53.363 52.037 0.051 0.000 0.613 112 A CB -1.139 17.876 19.000 0.025 0.000 0.829 112 A HN 0.637 nan 8.150 nan 0.000 0.442 113 G N -1.718 107.131 108.800 0.082 0.000 2.572 113 G HA2 0.373 4.333 3.960 -0.000 0.000 0.261 113 G HA3 0.373 4.333 3.960 -0.000 0.000 0.261 113 G C 0.876 175.832 174.900 0.093 0.000 1.197 113 G CA 0.112 45.263 45.100 0.085 0.000 0.870 113 G HN 0.163 nan 8.290 nan 0.000 0.548 114 V N 1.427 121.386 119.914 0.074 0.000 2.295 114 V HA -0.026 4.094 4.120 -0.000 0.000 0.246 114 V C 2.051 178.191 176.094 0.077 0.000 1.049 114 V CA 2.083 64.421 62.300 0.065 0.000 1.024 114 V CB -0.901 30.938 31.823 0.028 0.000 0.648 114 V HN 0.843 nan 8.190 nan 0.000 0.447 115 A N 1.634 124.501 122.820 0.079 0.000 2.309 115 A HA 0.627 4.947 4.320 -0.000 0.000 0.298 115 A C -1.963 175.749 177.584 0.213 0.000 1.165 115 A CA -1.131 50.977 52.037 0.118 0.000 0.821 115 A CB 0.287 19.313 19.000 0.044 0.000 1.102 115 A HN 0.332 nan 8.150 nan 0.000 0.500 116 P HA 0.599 nan 4.420 nan 0.000 0.310 116 P C 0.578 178.088 177.300 0.351 0.000 1.309 116 P CA 0.623 63.867 63.100 0.240 0.000 0.769 116 P CB 1.090 32.884 31.700 0.157 0.000 1.327 117 G N -2.724 106.151 108.800 0.125 0.000 2.184 117 G HA2 0.002 3.962 3.960 -0.000 0.000 0.206 117 G HA3 0.002 3.962 3.960 -0.000 0.000 0.206 117 G C 0.715 175.553 174.900 -0.104 0.000 0.995 117 G CA 0.307 45.320 45.100 -0.145 0.000 0.651 117 G HN 0.888 nan 8.290 nan 0.000 0.511 118 G N -0.024 108.822 108.800 0.077 0.000 2.661 118 G HA2 0.118 4.078 3.960 -0.000 0.000 0.327 118 G HA3 0.118 4.078 3.960 -0.000 0.000 0.327 118 G C 1.393 176.369 174.900 0.126 0.000 1.320 118 G CA 1.755 46.909 45.100 0.091 0.000 0.997 118 G HN 1.935 nan 8.290 nan 0.000 0.543 119 G N -0.206 108.662 108.800 0.113 0.000 3.518 119 G HA2 0.592 4.552 3.960 -0.000 0.000 0.273 119 G HA3 0.592 4.552 3.960 -0.000 0.000 0.273 119 G C 0.701 175.746 174.900 0.241 0.000 1.199 119 G CA 1.108 46.307 45.100 0.166 0.000 0.899 119 G HN 1.672 nan 8.290 nan 0.000 0.533 120 A N -0.585 122.283 122.820 0.080 0.000 2.610 120 A HA 0.437 4.757 4.320 -0.000 0.000 0.286 120 A C 0.905 178.342 177.584 -0.246 0.000 1.306 120 A CA -0.622 51.367 52.037 -0.080 0.000 0.942 120 A CB -0.313 18.592 19.000 -0.158 0.000 1.112 120 A HN 0.531 nan 8.150 nan 0.000 0.527 121 W N -0.684 120.688 121.300 0.120 0.000 3.107 121 W HA 0.470 5.130 4.660 -0.000 0.000 0.293 121 W C 0.164 176.795 176.519 0.186 0.000 1.239 121 W CA -0.102 57.327 57.345 0.140 0.000 1.653 121 W CB 0.441 29.970 29.460 0.116 0.000 1.068 121 W HN 0.119 nan 8.180 nan 0.000 0.615 122 L N -1.475 119.936 121.223 0.314 0.000 2.341 122 L HA 0.723 5.063 4.340 -0.000 0.000 0.254 122 L C 0.858 177.848 176.870 0.200 0.000 1.040 122 L CA -0.893 54.074 54.840 0.211 0.000 0.837 122 L CB 1.173 43.346 42.059 0.191 0.000 1.425 122 L HN -0.192 nan 8.230 nan 0.000 0.414 123 G N -0.594 108.290 108.800 0.141 0.000 2.829 123 G HA2 0.528 4.488 3.960 -0.000 0.000 0.173 123 G HA3 0.528 4.488 3.960 -0.000 0.000 0.173 123 G C -0.209 174.783 174.900 0.153 0.000 1.476 123 G CA -0.037 45.189 45.100 0.210 0.000 1.072 123 G HN 0.731 nan 8.290 nan 0.000 0.577 124 G N -1.903 106.967 108.800 0.118 0.000 2.425 124 G HA2 0.435 4.395 3.960 -0.000 0.000 0.302 124 G HA3 0.435 4.395 3.960 -0.000 0.000 0.302 124 G C 0.233 175.038 174.900 -0.158 0.000 1.159 124 G CA 0.207 45.318 45.100 0.019 0.000 0.865 124 G HN 0.827 nan 8.290 nan 0.000 0.515 125 Q N 0.207 119.866 119.800 -0.236 0.000 2.434 125 Q HA -0.196 4.144 4.340 -0.000 0.000 0.299 125 Q C 0.615 176.151 176.000 -0.773 0.000 1.286 125 Q CA 0.670 56.193 55.803 -0.467 0.000 0.872 125 Q CB -1.200 27.226 28.738 -0.519 0.000 1.193 125 Q HN 0.804 nan 8.270 nan 0.000 0.466 126 L N -2.816 118.175 121.223 -0.387 0.000 4.496 126 L HA -0.288 4.052 4.340 -0.000 0.000 0.419 126 L C -0.055 176.728 176.870 -0.144 0.000 1.139 126 L CA 0.731 55.428 54.840 -0.238 0.000 0.975 126 L CB -1.761 40.179 42.059 -0.198 0.000 2.099 126 L HN 0.263 nan 8.230 nan 0.000 0.818 127 F N -0.733 119.231 119.950 0.023 0.000 2.364 127 F HA 0.402 4.929 4.527 0.000 0.000 0.316 127 F C 1.797 177.551 175.800 -0.076 0.000 1.133 127 F CA 0.033 58.027 58.000 -0.009 0.000 1.051 127 F CB 0.507 39.505 39.000 -0.004 0.000 1.342 127 F HN -0.227 nan 8.300 nan 0.000 0.507 128 S N -0.171 115.561 115.700 0.054 0.000 2.431 128 S HA 0.266 4.736 4.470 -0.000 0.000 0.210 128 S C 0.622 175.102 174.600 -0.199 0.000 1.013 128 S CA 0.234 58.224 58.200 -0.349 0.000 0.920 128 S CB -0.644 62.214 63.200 -0.569 0.000 0.882 128 S HN 0.710 nan 8.310 nan 0.000 0.567 129 A N 2.745 125.525 122.820 -0.067 0.000 2.591 129 A HA -0.056 4.264 4.320 -0.000 0.000 0.265 129 A C 0.071 177.681 177.584 0.042 0.000 0.946 129 A CA 0.753 52.796 52.037 0.010 0.000 0.928 129 A CB -0.763 18.265 19.000 0.047 0.000 0.816 129 A HN 0.582 nan 8.150 nan 0.000 0.466 130 M N 4.867 124.478 119.600 0.018 0.000 2.088 130 M HA 0.500 4.980 4.480 -0.000 0.000 0.346 130 M C -1.216 175.135 176.300 0.085 0.000 1.111 130 M CA -0.430 54.872 55.300 0.003 0.000 1.017 130 M CB 0.851 33.291 32.600 -0.266 0.000 1.568 130 M HN 0.376 nan 8.290 nan 0.000 0.445 131 V N 7.018 127.035 119.914 0.173 0.000 2.394 131 V HA 0.480 4.600 4.120 -0.000 0.000 0.282 131 V C -0.092 176.079 176.094 0.129 0.000 1.031 131 V CA -0.332 62.055 62.300 0.145 0.000 0.881 131 V CB 1.540 33.397 31.823 0.057 0.000 0.982 131 V HN 0.936 nan 8.190 nan 0.000 0.451 132 M N 4.915 124.576 119.600 0.102 0.000 2.259 132 M HA 0.536 5.016 4.480 -0.000 0.000 0.304 132 M C -0.427 175.911 176.300 0.063 0.000 1.019 132 M CA -0.554 54.772 55.300 0.043 0.000 0.922 132 M CB 2.565 35.148 32.600 -0.027 0.000 1.600 132 M HN 0.558 nan 8.290 nan 0.000 0.433 133 R N 1.950 122.475 120.500 0.042 0.000 2.410 133 R HA 0.381 4.721 4.340 -0.000 0.000 0.288 133 R C -0.344 175.965 176.300 0.015 0.000 1.051 133 R CA -0.569 55.568 56.100 0.061 0.000 1.021 133 R CB 1.085 31.401 30.300 0.027 0.000 1.032 133 R HN 0.509 nan 8.270 nan 0.000 0.481 134 K N 2.845 123.253 120.400 0.013 0.000 2.319 134 K HA 0.051 4.371 4.320 -0.000 0.000 0.265 134 K C -1.488 175.111 176.600 -0.003 0.000 1.000 134 K CA -1.023 55.255 56.287 -0.014 0.000 0.943 134 K CB 0.412 32.902 32.500 -0.018 0.000 0.950 134 K HN 0.443 nan 8.250 nan 0.000 0.485 135 P HA 0.073 nan 4.420 nan 0.000 0.249 135 P C 0.195 177.498 177.300 0.006 0.000 1.544 135 P CA 0.160 63.259 63.100 -0.001 0.000 0.932 135 P CB 0.184 31.889 31.700 0.009 0.000 1.524 136 A N 1.724 124.541 122.820 -0.005 0.000 2.070 136 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 136 A C 1.919 179.523 177.584 0.034 0.000 1.159 136 A CA 1.603 53.652 52.037 0.019 0.000 0.656 136 A CB -0.844 18.152 19.000 -0.007 0.000 0.800 136 A HN 0.332 nan 8.150 nan 0.000 0.453 137 D N 0.132 120.490 120.400 -0.069 0.000 2.263 137 D HA -0.111 4.529 4.640 -0.000 0.000 0.208 137 D C 1.631 177.946 176.300 0.025 0.000 0.971 137 D CA 1.324 55.220 54.000 -0.173 0.000 0.867 137 D CB -0.795 39.774 40.800 -0.385 0.000 0.929 137 D HN 0.263 nan 8.370 nan 0.000 0.492 138 V N 0.241 120.198 119.914 0.071 0.000 2.407 138 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 138 V C 2.231 178.413 176.094 0.147 0.000 1.055 138 V CA 1.380 63.743 62.300 0.105 0.000 1.049 138 V CB -0.812 31.069 31.823 0.096 0.000 0.662 138 V HN 0.077 nan 8.190 nan 0.000 0.455 139 F N 0.278 120.249 119.950 0.035 0.000 2.113 139 F HA -0.092 4.435 4.527 -0.000 0.000 0.297 139 F C 2.054 177.887 175.800 0.055 0.000 1.103 139 F CA 1.469 59.495 58.000 0.043 0.000 1.248 139 F CB -0.255 38.776 39.000 0.053 0.000 0.999 139 F HN 0.004 nan 8.300 nan 0.000 0.475 140 L N -0.002 121.313 121.223 0.154 0.000 2.127 140 L HA -0.254 4.086 4.340 -0.000 0.000 0.211 140 L C 1.970 178.875 176.870 0.059 0.000 1.089 140 L CA 1.347 56.268 54.840 0.136 0.000 0.757 140 L CB -0.745 41.479 42.059 0.275 0.000 0.899 140 L HN 0.137 nan 8.230 nan 0.000 0.434 141 D N -0.550 119.903 120.400 0.089 0.000 2.149 141 D HA -0.185 4.455 4.640 -0.000 0.000 0.201 141 D C 2.009 178.264 176.300 -0.074 0.000 0.972 141 D CA 0.963 54.992 54.000 0.048 0.000 0.835 141 D CB 0.030 40.884 40.800 0.090 0.000 0.966 141 D HN 0.271 nan 8.370 nan 0.000 0.476 142 E N 1.101 121.208 120.200 -0.156 0.000 2.058 142 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 142 E C 1.924 178.332 176.600 -0.319 0.000 0.997 142 E CA 1.513 57.787 56.400 -0.210 0.000 0.801 142 E CB -0.186 29.351 29.700 -0.272 0.000 0.746 142 E HN 0.218 nan 8.360 nan 0.000 0.450 143 V N -2.486 117.078 119.914 -0.583 0.000 3.573 143 V HA 0.344 4.464 4.120 -0.000 0.000 0.270 143 V C 1.273 177.184 176.094 -0.304 0.000 1.221 143 V CA 0.548 62.487 62.300 -0.600 0.000 1.163 143 V CB -0.787 30.501 31.823 -0.890 0.000 0.847 143 V HN 0.400 nan 8.190 nan 0.000 0.468 144 G N 0.301 108.985 108.800 -0.194 0.000 2.324 144 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.292 144 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.292 144 G C -0.255 174.591 174.900 -0.090 0.000 1.079 144 G CA 0.163 45.195 45.100 -0.114 0.000 1.026 144 G HN 0.983 nan 8.290 nan 0.000 0.506 145 V N 2.550 122.438 119.914 -0.043 0.000 2.350 145 V HA 0.478 4.598 4.120 -0.000 0.000 0.285 145 V C -0.990 175.137 176.094 0.055 0.000 1.014 145 V CA -1.403 60.911 62.300 0.025 0.000 0.831 145 V CB 1.833 33.724 31.823 0.113 0.000 1.000 145 V HN 0.405 nan 8.190 nan 0.000 0.433 146 P HA 0.253 nan 4.420 nan 0.000 0.271 146 P C -1.436 175.837 177.300 -0.045 0.000 1.233 146 P CA 0.269 63.271 63.100 -0.163 0.000 0.789 146 P CB 0.731 32.362 31.700 -0.114 0.000 0.951 147 Y N -3.438 116.870 120.300 0.013 0.000 2.713 147 Y HA 0.533 5.083 4.550 -0.000 0.000 0.335 147 Y C -1.133 174.765 175.900 -0.004 0.000 1.222 147 Y CA -1.353 56.756 58.100 0.014 0.000 1.061 147 Y CB 0.493 38.965 38.460 0.021 0.000 1.314 147 Y HN 0.280 nan 8.280 nan 0.000 0.453 148 E N 1.240 121.601 120.200 0.269 0.000 2.151 148 E HA 0.214 4.564 4.350 -0.000 0.000 0.275 148 E C -1.543 175.143 176.600 0.144 0.000 0.936 148 E CA -0.971 55.514 56.400 0.142 0.000 0.777 148 E CB 1.724 31.463 29.700 0.065 0.000 1.108 148 E HN 0.499 nan 8.360 nan 0.000 0.401 149 D N 2.887 123.351 120.400 0.106 0.000 2.313 149 D HA 0.036 4.676 4.640 -0.000 0.000 0.239 149 D C 0.015 176.215 176.300 -0.167 0.000 1.142 149 D CA -0.029 53.963 54.000 -0.013 0.000 0.847 149 D CB 0.907 41.744 40.800 0.062 0.000 1.082 149 D HN 0.366 nan 8.370 nan 0.000 0.480 150 E N 2.292 122.237 120.200 -0.426 0.000 2.501 150 E HA 0.234 4.584 4.350 -0.000 0.000 0.201 150 E C 1.093 177.459 176.600 -0.390 0.000 1.016 150 E CA 0.024 56.115 56.400 -0.514 0.000 0.920 150 E CB 1.204 30.277 29.700 -1.046 0.000 1.023 150 E HN 0.791 nan 8.360 nan 0.000 0.474 151 G N 1.962 110.594 108.800 -0.280 0.000 2.222 151 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 151 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 151 G C 0.325 175.181 174.900 -0.074 0.000 1.450 151 G CA -0.016 45.011 45.100 -0.122 0.000 1.361 151 G HN 0.153 nan 8.290 nan 0.000 0.474 152 D N 0.955 121.370 120.400 0.025 0.000 2.363 152 D HA 0.247 4.887 4.640 -0.000 0.000 0.220 152 D C 0.719 177.108 176.300 0.147 0.000 0.994 152 D CA 1.726 55.780 54.000 0.090 0.000 0.890 152 D CB 0.144 41.021 40.800 0.130 0.000 0.906 152 D HN 0.594 nan 8.370 nan 0.000 0.530 153 Y N -1.355 118.924 120.300 -0.034 0.000 2.655 153 Y HA 0.520 5.070 4.550 -0.000 0.000 0.336 153 Y C -0.775 175.087 175.900 -0.064 0.000 1.154 153 Y CA -1.690 56.378 58.100 -0.053 0.000 1.055 153 Y CB 0.898 39.337 38.460 -0.035 0.000 1.295 153 Y HN -0.236 nan 8.280 nan 0.000 0.465 154 V N -0.585 119.279 119.914 -0.084 0.000 3.074 154 V HA 0.956 5.076 4.120 -0.000 0.000 0.314 154 V C -1.468 174.659 176.094 0.055 0.000 1.117 154 V CA -1.219 60.973 62.300 -0.180 0.000 1.014 154 V CB 1.538 33.074 31.823 -0.478 0.000 1.057 154 V HN 0.852 nan 8.190 nan 0.000 0.438 155 V N 1.788 121.758 119.914 0.094 0.000 2.638 155 V HA 0.521 4.641 4.120 -0.000 0.000 0.306 155 V C -0.337 175.854 176.094 0.161 0.000 1.052 155 V CA -0.548 61.844 62.300 0.153 0.000 0.885 155 V CB 1.862 33.788 31.823 0.172 0.000 0.999 155 V HN 0.828 nan 8.190 nan 0.000 0.424 156 V N 4.503 124.493 119.914 0.126 0.000 2.383 156 V HA 0.267 4.387 4.120 -0.000 0.000 0.275 156 V C 1.495 177.654 176.094 0.109 0.000 1.036 156 V CA -0.367 62.013 62.300 0.133 0.000 0.889 156 V CB 1.121 33.004 31.823 0.100 0.000 0.985 156 V HN 0.940 nan 8.190 nan 0.000 0.459 157 K N 2.359 122.829 120.400 0.118 0.000 2.090 157 K HA -0.236 4.084 4.320 -0.000 0.000 0.218 157 K C 0.645 177.333 176.600 0.146 0.000 1.055 157 K CA 1.914 58.271 56.287 0.117 0.000 0.941 157 K CB -0.010 32.558 32.500 0.114 0.000 0.722 157 K HN 0.778 nan 8.250 nan 0.000 0.458 158 H N -2.796 116.316 119.070 0.070 0.000 2.954 158 H HA 0.274 4.830 4.556 -0.000 0.000 0.361 158 H C 0.072 175.431 175.328 0.052 0.000 1.122 158 H CA 0.231 56.325 56.048 0.077 0.000 1.217 158 H CB 2.159 31.979 29.762 0.096 0.000 1.776 158 H HN 0.126 nan 8.280 nan 0.000 0.533 159 A N 4.013 126.904 122.820 0.118 0.000 1.927 159 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 159 A C 2.281 179.970 177.584 0.174 0.000 1.185 159 A CA 2.285 54.324 52.037 0.003 0.000 0.639 159 A CB -0.887 18.029 19.000 -0.140 0.000 0.820 159 A HN 0.766 nan 8.150 nan 0.000 0.451 160 A N -0.891 122.236 122.820 0.512 0.000 2.024 160 A HA -0.043 4.277 4.320 -0.000 0.000 0.220 160 A C 2.067 179.755 177.584 0.172 0.000 1.164 160 A CA 1.715 53.958 52.037 0.343 0.000 0.643 160 A CB -0.512 18.681 19.000 0.323 0.000 0.806 160 A HN 0.716 nan 8.150 nan 0.000 0.451 161 L N -1.587 119.739 121.223 0.172 0.000 2.093 161 L HA -0.045 4.295 4.340 -0.000 0.000 0.208 161 L C 2.102 179.015 176.870 0.072 0.000 1.085 161 L CA 2.093 56.997 54.840 0.107 0.000 0.755 161 L CB -0.744 41.389 42.059 0.122 0.000 0.904 161 L HN 0.464 nan 8.230 nan 0.000 0.435 162 F N -0.132 119.781 119.950 -0.062 0.000 2.060 162 F HA -0.186 4.341 4.527 -0.000 0.000 0.295 162 F C 2.301 178.004 175.800 -0.161 0.000 1.120 162 F CA 2.220 60.154 58.000 -0.109 0.000 1.205 162 F CB -0.803 38.105 39.000 -0.153 0.000 0.986 162 F HN 0.021 nan 8.300 nan 0.000 0.470 163 T N 0.263 114.738 114.554 -0.132 0.000 2.759 163 T HA -0.228 4.122 4.350 -0.000 0.000 0.269 163 T C 2.223 176.711 174.700 -0.353 0.000 1.042 163 T CA 1.863 63.722 62.100 -0.401 0.000 1.140 163 T CB -0.736 67.650 68.868 -0.804 0.000 0.864 163 T HN 0.518 nan 8.240 nan 0.000 0.455 164 S N 1.297 116.889 115.700 -0.179 0.000 2.345 164 S HA -0.142 4.328 4.470 -0.000 0.000 0.220 164 S C 2.208 176.756 174.600 -0.087 0.000 1.031 164 S CA 1.575 59.769 58.200 -0.011 0.000 0.996 164 S CB -1.208 62.059 63.200 0.110 0.000 0.882 164 S HN 0.448 nan 8.310 nan 0.000 0.445 165 T N 2.672 117.141 114.554 -0.141 0.000 2.607 165 T HA -0.086 4.264 4.350 -0.000 0.000 0.267 165 T C 1.958 176.520 174.700 -0.230 0.000 1.049 165 T CA 1.727 63.726 62.100 -0.168 0.000 1.162 165 T CB -0.843 67.912 68.868 -0.188 0.000 0.863 165 T HN 0.268 nan 8.240 nan 0.000 0.424 166 V N 1.410 121.084 119.914 -0.401 0.000 2.255 166 V HA -0.134 3.986 4.120 -0.000 0.000 0.247 166 V C 2.471 178.459 176.094 -0.176 0.000 1.051 166 V CA 1.399 63.464 62.300 -0.391 0.000 1.018 166 V CB -0.766 30.673 31.823 -0.639 0.000 0.641 166 V HN 0.285 nan 8.190 nan 0.000 0.445 167 L N 0.149 121.273 121.223 -0.164 0.000 2.043 167 L HA -0.187 4.153 4.340 -0.000 0.000 0.212 167 L C 2.686 179.542 176.870 -0.023 0.000 1.075 167 L CA 2.420 57.223 54.840 -0.062 0.000 0.752 167 L CB -0.979 41.061 42.059 -0.032 0.000 0.891 167 L HN 0.383 nan 8.230 nan 0.000 0.432 168 S N -1.031 114.649 115.700 -0.033 0.000 2.348 168 S HA -0.216 4.254 4.470 -0.000 0.000 0.221 168 S C 2.031 176.629 174.600 -0.003 0.000 1.033 168 S CA 1.513 59.706 58.200 -0.013 0.000 1.010 168 S CB -0.149 63.039 63.200 -0.020 0.000 0.891 168 S HN 0.510 nan 8.310 nan 0.000 0.442 169 K N 0.354 120.754 120.400 -0.001 0.000 2.097 169 K HA -0.020 4.301 4.320 -0.000 0.000 0.206 169 K C 2.046 178.693 176.600 0.079 0.000 1.049 169 K CA 1.356 57.676 56.287 0.055 0.000 0.933 169 K CB -0.354 32.213 32.500 0.111 0.000 0.717 169 K HN 0.285 nan 8.250 nan 0.000 0.442 170 V N 1.846 121.813 119.914 0.087 0.000 2.427 170 V HA -0.183 3.937 4.120 -0.000 0.000 0.248 170 V C 2.151 178.252 176.094 0.011 0.000 1.051 170 V CA 1.395 63.735 62.300 0.066 0.000 1.048 170 V CB -0.363 31.506 31.823 0.077 0.000 0.666 170 V HN 0.265 nan 8.190 nan 0.000 0.456 171 L N -0.571 120.654 121.223 0.005 0.000 2.217 171 L HA -0.148 4.192 4.340 -0.000 0.000 0.211 171 L C 2.573 179.434 176.870 -0.016 0.000 1.107 171 L CA 1.171 56.004 54.840 -0.013 0.000 0.783 171 L CB -0.443 41.611 42.059 -0.008 0.000 0.919 171 L HN 0.385 nan 8.230 nan 0.000 0.442 172 Q N -0.349 119.447 119.800 -0.007 0.000 2.230 172 Q HA -0.048 4.292 4.340 -0.000 0.000 0.202 172 Q C 0.385 176.373 176.000 -0.019 0.000 0.963 172 Q CA 0.384 56.181 55.803 -0.010 0.000 0.866 172 Q CB 0.147 28.883 28.738 -0.004 0.000 0.931 172 Q HN 0.279 nan 8.270 nan 0.000 0.452 173 R N 1.769 122.253 120.500 -0.027 0.000 2.522 173 R HA -0.009 4.331 4.340 -0.000 0.000 0.284 173 R C -1.501 174.779 176.300 -0.033 0.000 1.032 173 R CA -1.059 55.017 56.100 -0.040 0.000 1.049 173 R CB -0.179 30.085 30.300 -0.060 0.000 0.956 173 R HN 0.147 nan 8.270 nan 0.000 0.422 174 P HA -0.119 nan 4.420 nan 0.000 0.221 174 P C 0.331 177.621 177.300 -0.017 0.000 1.150 174 P CA 1.087 64.174 63.100 -0.022 0.000 0.800 174 P CB 0.262 31.950 31.700 -0.021 0.000 0.787 175 N N -0.126 118.559 118.700 -0.024 0.000 2.322 175 N HA 0.041 4.781 4.740 -0.000 0.000 0.194 175 N C -0.083 175.431 175.510 0.008 0.000 1.126 175 N CA -0.038 53.003 53.050 -0.015 0.000 0.845 175 N CB -0.246 38.219 38.487 -0.038 0.000 0.976 175 N HN 0.009 nan 8.380 nan 0.000 0.475 176 V N 0.735 120.643 119.914 -0.009 0.000 2.459 176 V HA 0.352 4.472 4.120 -0.000 0.000 0.295 176 V C -0.195 175.853 176.094 -0.078 0.000 1.029 176 V CA -0.834 61.452 62.300 -0.023 0.000 0.874 176 V CB 1.635 33.435 31.823 -0.037 0.000 0.985 176 V HN 0.087 nan 8.190 nan 0.000 0.438 177 K N 4.309 124.611 120.400 -0.163 0.000 2.324 177 K HA 0.697 5.017 4.320 -0.000 0.000 0.253 177 K C -1.506 174.837 176.600 -0.429 0.000 0.932 177 K CA -0.643 55.387 56.287 -0.428 0.000 0.799 177 K CB 1.674 33.609 32.500 -0.942 0.000 1.154 177 K HN 0.481 nan 8.250 nan 0.000 0.425 178 L N 5.411 126.378 121.223 -0.427 0.000 2.324 178 L HA 0.531 4.871 4.340 -0.000 0.000 0.274 178 L C -1.748 174.958 176.870 -0.273 0.000 1.012 178 L CA -0.205 54.482 54.840 -0.255 0.000 0.859 178 L CB 0.202 42.199 42.059 -0.103 0.000 1.224 178 L HN 0.551 nan 8.230 nan 0.000 0.429 179 F N 5.281 125.200 119.950 -0.051 0.000 2.451 179 F HA 0.370 4.897 4.527 0.000 0.000 0.356 179 F C 0.748 176.584 175.800 0.061 0.000 1.178 179 F CA -0.686 57.318 58.000 0.006 0.000 1.210 179 F CB -0.247 38.708 39.000 -0.074 0.000 1.504 179 F HN 0.594 nan 8.300 nan 0.000 0.598 180 N N 1.190 120.034 118.700 0.239 0.000 2.445 180 N HA 0.440 5.180 4.740 -0.000 0.000 0.264 180 N C 0.738 176.391 175.510 0.238 0.000 1.227 180 N CA 0.185 53.349 53.050 0.189 0.000 0.963 180 N CB 1.135 39.704 38.487 0.135 0.000 1.188 180 N HN 0.562 nan 8.380 nan 0.000 0.491 181 A N -1.603 121.329 122.820 0.187 0.000 2.952 181 A HA -0.156 4.164 4.320 -0.000 0.000 0.252 181 A C -0.140 177.613 177.584 0.282 0.000 1.323 181 A CA 1.199 53.360 52.037 0.208 0.000 0.957 181 A CB -2.462 16.659 19.000 0.201 0.000 1.130 181 A HN 0.806 nan 8.150 nan 0.000 0.799 182 T N 1.129 115.799 114.554 0.193 0.000 2.812 182 T HA 0.600 4.950 4.350 -0.000 0.000 0.282 182 T C -0.106 174.599 174.700 0.008 0.000 0.990 182 T CA 0.299 62.451 62.100 0.087 0.000 0.960 182 T CB 1.654 70.527 68.868 0.008 0.000 0.948 182 T HN 0.396 nan 8.240 nan 0.000 0.438 183 T N 2.375 116.906 114.554 -0.040 0.000 2.824 183 T HA 0.430 4.780 4.350 -0.000 0.000 0.280 183 T C 0.153 174.738 174.700 -0.190 0.000 0.995 183 T CA -0.526 61.516 62.100 -0.096 0.000 1.009 183 T CB 1.318 70.146 68.868 -0.067 0.000 0.955 183 T HN 0.327 nan 8.240 nan 0.000 0.452 184 V N 4.082 123.810 119.914 -0.312 0.000 2.405 184 V HA 0.109 4.229 4.120 -0.000 0.000 0.264 184 V C 1.236 176.912 176.094 -0.697 0.000 1.048 184 V CA 0.248 62.272 62.300 -0.460 0.000 0.966 184 V CB 0.450 31.953 31.823 -0.532 0.000 1.015 184 V HN 0.922 nan 8.190 nan 0.000 0.477 185 E N 2.562 122.560 120.200 -0.337 0.000 2.190 185 E HA 0.057 4.407 4.350 -0.000 0.000 0.191 185 E C 0.258 176.929 176.600 0.119 0.000 0.978 185 E CA 0.415 56.737 56.400 -0.131 0.000 0.839 185 E CB 0.507 30.211 29.700 0.006 0.000 0.787 185 E HN 0.710 nan 8.360 nan 0.000 0.473 186 D N -1.023 119.466 120.400 0.148 0.000 2.759 186 D HA 0.364 5.004 4.640 -0.000 0.000 0.321 186 D C -1.514 174.970 176.300 0.306 0.000 1.267 186 D CA -0.567 53.657 54.000 0.373 0.000 0.933 186 D CB 1.506 42.404 40.800 0.164 0.000 1.431 186 D HN -0.151 nan 8.370 nan 0.000 0.504 187 L N 1.522 122.881 121.223 0.227 0.000 2.341 187 L HA 0.511 4.851 4.340 -0.000 0.000 0.278 187 L C 0.040 176.958 176.870 0.079 0.000 1.005 187 L CA -0.825 54.107 54.840 0.153 0.000 0.818 187 L CB 1.989 44.127 42.059 0.132 0.000 1.259 187 L HN 0.318 nan 8.230 nan 0.000 0.418 188 I N 2.758 123.362 120.570 0.057 0.000 2.452 188 I HA 0.118 4.288 4.170 -0.000 0.000 0.287 188 I C 0.639 176.775 176.117 0.031 0.000 1.079 188 I CA 0.192 61.512 61.300 0.034 0.000 1.387 188 I CB 1.071 39.084 38.000 0.022 0.000 1.404 188 I HN 0.674 nan 8.210 nan 0.000 0.522 189 T N 4.674 119.242 114.554 0.024 0.000 2.949 189 T HA 0.718 5.068 4.350 -0.000 0.000 0.287 189 T C -0.044 174.666 174.700 0.016 0.000 1.034 189 T CA -1.025 61.088 62.100 0.021 0.000 1.018 189 T CB 2.563 71.442 68.868 0.018 0.000 1.135 189 T HN 0.392 nan 8.240 nan 0.000 0.532 190 R N -0.260 120.251 120.500 0.018 0.000 2.846 190 R HA 0.522 4.862 4.340 -0.000 0.000 0.263 190 R C -1.077 175.240 176.300 0.028 0.000 1.080 190 R CA -0.932 55.178 56.100 0.018 0.000 0.961 190 R CB 1.560 31.867 30.300 0.013 0.000 1.231 190 R HN 0.686 nan 8.270 nan 0.000 0.465 191 K N 0.746 121.168 120.400 0.037 0.000 2.159 191 K HA 0.325 4.645 4.320 -0.000 0.000 0.266 191 K C -0.114 176.563 176.600 0.127 0.000 0.975 191 K CA -0.457 55.867 56.287 0.061 0.000 0.865 191 K CB 1.321 33.848 32.500 0.044 0.000 1.087 191 K HN 0.599 nan 8.250 nan 0.000 0.446 211 V N -0.826 119.123 119.914 0.059 0.000 3.141 211 V HA 0.778 4.898 4.120 -0.000 0.000 0.312 211 V C -1.273 174.843 176.094 0.038 0.000 1.157 211 V CA -1.023 61.306 62.300 0.049 0.000 1.041 211 V CB 1.893 33.732 31.823 0.027 0.000 1.071 211 V HN 0.895 nan 8.190 nan 0.000 0.441 212 R N 1.616 122.132 120.500 0.027 0.000 2.561 212 R HA 0.647 4.987 4.340 -0.000 0.000 0.297 212 R C -1.401 174.908 176.300 0.015 0.000 0.969 212 R CA -0.831 55.276 56.100 0.012 0.000 0.879 212 R CB 1.726 32.024 30.300 -0.004 0.000 1.178 212 R HN 0.776 nan 8.270 nan 0.000 0.445 213 I N 3.915 124.496 120.570 0.018 0.000 2.441 213 I HA 0.208 4.378 4.170 -0.000 0.000 0.287 213 I C 0.828 176.960 176.117 0.026 0.000 1.049 213 I CA 0.067 61.384 61.300 0.028 0.000 1.381 213 I CB 1.098 39.121 38.000 0.038 0.000 1.409 213 I HN 0.894 nan 8.210 nan 0.000 0.523 214 A N 4.364 127.200 122.820 0.027 0.000 2.508 214 A HA 0.694 5.014 4.320 -0.000 0.000 0.250 214 A C 0.706 178.308 177.584 0.029 0.000 1.208 214 A CA 0.405 52.455 52.037 0.023 0.000 0.960 214 A CB 0.317 19.324 19.000 0.012 0.000 1.099 214 A HN 0.912 nan 8.150 nan 0.000 0.542 215 G N -1.291 107.531 108.800 0.037 0.000 2.317 215 G HA2 0.518 4.479 3.960 -0.000 0.000 0.293 215 G HA3 0.518 4.479 3.960 -0.000 0.000 0.293 215 G C -1.194 173.729 174.900 0.039 0.000 1.287 215 G CA 0.201 45.322 45.100 0.035 0.000 0.850 215 G HN 1.340 nan 8.290 nan 0.000 0.515 216 V N -2.498 117.427 119.914 0.019 0.000 2.914 216 V HA 0.896 5.016 4.120 -0.000 0.000 0.314 216 V C -0.288 175.790 176.094 -0.026 0.000 1.084 216 V CA -1.133 61.173 62.300 0.010 0.000 0.963 216 V CB 1.612 33.426 31.823 -0.014 0.000 1.025 216 V HN 0.975 nan 8.190 nan 0.000 0.432 217 V N 3.213 123.112 119.914 -0.025 0.000 2.407 217 V HA 0.679 4.799 4.120 -0.000 0.000 0.278 217 V C 0.657 176.687 176.094 -0.106 0.000 1.037 217 V CA 0.513 62.785 62.300 -0.048 0.000 0.900 217 V CB 1.372 33.192 31.823 -0.005 0.000 0.983 217 V HN 1.270 nan 8.190 nan 0.000 0.459 218 T N 1.824 116.293 114.554 -0.140 0.000 2.930 218 T HA 0.718 5.068 4.350 -0.000 0.000 0.290 218 T C -0.649 173.928 174.700 -0.205 0.000 1.052 218 T CA -0.800 61.183 62.100 -0.196 0.000 1.017 218 T CB 2.451 71.156 68.868 -0.272 0.000 1.137 218 T HN 0.543 nan 8.240 nan 0.000 0.511 219 N N -0.867 117.697 118.700 -0.226 0.000 3.127 219 N HA 0.211 4.951 4.740 -0.000 0.000 0.239 219 N C -1.928 173.470 175.510 -0.188 0.000 1.407 219 N CA -0.812 52.104 53.050 -0.224 0.000 0.891 219 N CB 1.297 39.761 38.487 -0.039 0.000 1.447 219 N HN 0.840 nan 8.380 nan 0.000 0.507 220 W N 1.454 122.743 121.300 -0.017 0.000 2.308 220 W HA 0.120 4.780 4.660 -0.000 0.000 0.324 220 W C 1.790 178.293 176.519 -0.026 0.000 1.387 220 W CA -0.294 57.041 57.345 -0.016 0.000 1.250 220 W CB 0.333 29.786 29.460 -0.011 0.000 1.257 220 W HN 0.473 nan 8.180 nan 0.000 0.554 221 T N 2.807 117.502 114.554 0.234 0.000 2.620 221 T HA -0.304 4.046 4.350 -0.000 0.000 0.267 221 T C 1.824 176.579 174.700 0.092 0.000 1.044 221 T CA 1.542 63.711 62.100 0.114 0.000 1.161 221 T CB -0.366 68.562 68.868 0.100 0.000 0.862 221 T HN 0.407 nan 8.240 nan 0.000 0.438 222 L N 0.625 121.925 121.223 0.129 0.000 2.187 222 L HA -0.101 4.239 4.340 -0.000 0.000 0.213 222 L C 2.571 179.521 176.870 0.132 0.000 1.100 222 L CA 0.754 55.673 54.840 0.131 0.000 0.765 222 L CB -0.641 41.474 42.059 0.093 0.000 0.904 222 L HN 0.190 nan 8.230 nan 0.000 0.437 223 V N -1.305 118.667 119.914 0.096 0.000 2.407 223 V HA -0.191 3.929 4.120 -0.000 0.000 0.245 223 V C 2.454 178.350 176.094 -0.331 0.000 1.041 223 V CA 1.758 64.041 62.300 -0.027 0.000 1.040 223 V CB -0.082 31.783 31.823 0.070 0.000 0.671 223 V HN 0.372 nan 8.190 nan 0.000 0.455 224 S N -0.053 115.525 115.700 -0.202 0.000 2.399 224 S HA -0.115 4.355 4.470 -0.000 0.000 0.231 224 S C 1.749 176.234 174.600 -0.192 0.000 1.022 224 S CA 1.510 59.590 58.200 -0.200 0.000 0.983 224 S CB -0.311 62.883 63.200 -0.011 0.000 0.803 224 S HN 0.505 nan 8.310 nan 0.000 0.480 225 M N 0.633 120.111 119.600 -0.203 0.000 2.618 225 M HA 0.078 4.558 4.480 -0.000 0.000 0.240 225 M C 0.023 175.910 176.300 -0.688 0.000 1.123 225 M CA 0.762 55.849 55.300 -0.354 0.000 1.060 225 M CB 0.107 32.491 32.600 -0.359 0.000 1.535 225 M HN 0.234 nan 8.290 nan 0.000 0.507 226 H N -1.703 117.294 119.070 -0.122 0.000 2.924 226 H HA 0.199 4.755 4.556 -0.000 0.000 0.229 226 H C 0.273 175.563 175.328 -0.063 0.000 1.345 226 H CA -0.212 55.795 56.048 -0.068 0.000 1.044 226 H CB 0.052 29.782 29.762 -0.052 0.000 2.221 226 H HN 0.221 nan 8.280 nan 0.000 0.574 227 H N 0.653 119.769 119.070 0.076 0.000 2.566 227 H HA -0.016 4.540 4.556 -0.000 0.000 0.277 227 H C 0.423 175.789 175.328 0.063 0.000 1.046 227 H CA 0.623 56.711 56.048 0.067 0.000 1.172 227 H CB 0.428 30.215 29.762 0.042 0.000 1.319 227 H HN 0.590 nan 8.280 nan 0.000 0.621 228 D N -0.716 119.783 120.400 0.166 0.000 2.461 228 D HA -0.032 4.608 4.640 -0.000 0.000 0.266 228 D C 0.301 176.665 176.300 0.107 0.000 1.085 228 D CA 0.060 54.133 54.000 0.120 0.000 0.887 228 D CB -0.025 40.834 40.800 0.098 0.000 1.309 228 D HN 0.264 nan 8.370 nan 0.000 0.498 229 D N 1.242 121.721 120.400 0.133 0.000 2.400 229 D HA 0.104 4.744 4.640 -0.000 0.000 0.243 229 D C 0.433 176.766 176.300 0.054 0.000 1.184 229 D CA 0.656 54.712 54.000 0.094 0.000 0.853 229 D CB 0.284 41.151 40.800 0.111 0.000 0.944 229 D HN -0.007 nan 8.370 nan 0.000 0.501 230 Q N -1.313 118.528 119.800 0.069 0.000 2.975 230 Q HA 0.242 4.582 4.340 -0.000 0.000 0.324 230 Q C -0.625 175.418 176.000 0.071 0.000 0.830 230 Q CA -0.546 55.291 55.803 0.056 0.000 0.818 230 Q CB 0.558 29.328 28.738 0.054 0.000 1.440 230 Q HN 0.027 nan 8.270 nan 0.000 0.475 234 D N 4.717 125.173 120.400 0.092 0.000 2.419 234 D HA 0.284 4.924 4.640 -0.000 0.000 0.236 234 D C -1.861 174.467 176.300 0.047 0.000 1.165 234 D CA -0.132 53.900 54.000 0.053 0.000 0.882 234 D CB 0.685 41.502 40.800 0.028 0.000 1.201 234 D HN 0.259 nan 8.370 nan 0.000 0.443 235 P HA 0.215 nan 4.420 nan 0.000 0.297 235 P C -0.264 176.997 177.300 -0.064 0.000 1.307 235 P CA -0.596 62.488 63.100 -0.026 0.000 0.773 235 P CB 1.317 33.003 31.700 -0.022 0.000 1.265 236 N N -1.627 117.000 118.700 -0.121 0.000 2.815 236 N HA 0.511 5.251 4.740 -0.000 0.000 0.315 236 N C -0.899 174.537 175.510 -0.123 0.000 1.320 236 N CA -0.188 52.783 53.050 -0.132 0.000 0.846 236 N CB 1.558 39.920 38.487 -0.209 0.000 1.344 236 N HN 0.592 nan 8.380 nan 0.000 0.593 237 T N -2.064 112.419 114.554 -0.117 0.000 2.864 237 T HA 0.732 5.082 4.350 -0.000 0.000 0.299 237 T C -0.680 173.962 174.700 -0.096 0.000 1.166 237 T CA -0.670 61.375 62.100 -0.092 0.000 1.007 237 T CB 0.980 69.818 68.868 -0.050 0.000 1.219 237 T HN 0.320 nan 8.240 nan 0.000 0.506 238 I N 1.528 122.059 120.570 -0.065 0.000 2.610 238 I HA 0.351 4.521 4.170 -0.000 0.000 0.289 238 I C -1.160 174.954 176.117 -0.006 0.000 1.163 238 I CA -0.945 60.331 61.300 -0.040 0.000 1.044 238 I CB 2.262 40.236 38.000 -0.045 0.000 1.251 238 I HN 0.660 nan 8.210 nan 0.000 0.424 239 N N 4.425 123.129 118.700 0.007 0.000 2.479 239 N HA 0.810 5.550 4.740 -0.000 0.000 0.285 239 N C -0.803 174.729 175.510 0.037 0.000 1.075 239 N CA -0.356 52.704 53.050 0.017 0.000 0.967 239 N CB 1.932 40.426 38.487 0.011 0.000 1.137 239 N HN 0.721 nan 8.380 nan 0.000 0.472 240 A N 2.021 124.868 122.820 0.044 0.000 2.555 240 A HA 0.428 4.748 4.320 -0.000 0.000 0.297 240 A C -2.277 175.347 177.584 0.068 0.000 1.060 240 A CA -0.985 51.095 52.037 0.072 0.000 0.710 240 A CB 1.375 20.428 19.000 0.088 0.000 1.282 240 A HN 0.505 nan 8.150 nan 0.000 0.399 241 P HA 0.003 nan 4.420 nan 0.000 0.221 241 P C 0.500 177.843 177.300 0.072 0.000 1.150 241 P CA 1.293 64.412 63.100 0.032 0.000 0.800 241 P CB 0.324 31.987 31.700 -0.062 0.000 0.787 242 V N 0.034 120.039 119.914 0.151 0.000 2.577 242 V HA 0.522 4.642 4.120 -0.000 0.000 0.303 242 V C -1.454 174.707 176.094 0.112 0.000 1.042 242 V CA -1.129 61.257 62.300 0.142 0.000 0.872 242 V CB 1.767 33.725 31.823 0.224 0.000 0.998 242 V HN -0.301 nan 8.190 nan 0.000 0.423 243 I N 7.472 128.093 120.570 0.085 0.000 2.418 243 I HA 0.516 4.686 4.170 -0.000 0.000 0.287 243 I C -0.162 175.997 176.117 0.070 0.000 1.008 243 I CA -0.148 61.198 61.300 0.076 0.000 1.104 243 I CB 1.892 39.937 38.000 0.076 0.000 1.264 243 I HN 0.490 nan 8.210 nan 0.000 0.438 244 I N 4.712 125.321 120.570 0.066 0.000 2.307 244 I HA 0.261 4.431 4.170 -0.000 0.000 0.289 244 I C 0.168 176.326 176.117 0.067 0.000 1.021 244 I CA -0.270 61.066 61.300 0.061 0.000 1.224 244 I CB 1.208 39.240 38.000 0.053 0.000 1.376 244 I HN 0.491 nan 8.210 nan 0.000 0.470 245 S N 4.601 120.345 115.700 0.073 0.000 2.422 245 S HA 0.431 4.901 4.470 -0.000 0.000 0.298 245 S C 0.220 174.864 174.600 0.074 0.000 1.118 245 S CA -0.437 57.816 58.200 0.089 0.000 1.083 245 S CB 0.249 63.519 63.200 0.116 0.000 0.971 245 S HN 0.699 nan 8.310 nan 0.000 0.478 246 T N 0.976 115.571 114.554 0.069 0.000 3.658 246 T HA 0.208 4.558 4.350 -0.000 0.000 0.245 246 T C 0.541 175.273 174.700 0.054 0.000 1.292 246 T CA -0.480 61.653 62.100 0.056 0.000 1.598 246 T CB -0.259 68.637 68.868 0.048 0.000 0.861 246 T HN 0.556 nan 8.240 nan 0.000 0.663 247 T N -0.857 113.737 114.554 0.066 0.000 3.278 247 T HA 0.542 4.892 4.350 -0.000 0.000 0.251 247 T C 1.349 176.062 174.700 0.021 0.000 1.039 247 T CA 0.101 62.236 62.100 0.059 0.000 0.935 247 T CB -0.730 68.202 68.868 0.107 0.000 1.034 247 T HN 1.384 nan 8.240 nan 0.000 0.575 248 G N 2.394 111.197 108.800 0.005 0.000 2.749 248 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.242 248 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.242 248 G C -0.305 174.577 174.900 -0.030 0.000 1.364 248 G CA -0.183 44.885 45.100 -0.053 0.000 0.888 248 G HN 1.228 nan 8.290 nan 0.000 0.566 249 H N -0.145 118.935 119.070 0.017 0.000 2.544 249 H HA 0.669 5.225 4.556 -0.000 0.000 0.365 249 H C 0.622 175.962 175.328 0.021 0.000 1.268 249 H CA -0.244 55.811 56.048 0.011 0.000 1.400 249 H CB 0.397 30.156 29.762 -0.005 0.000 1.538 249 H HN 0.587 nan 8.280 nan 0.000 0.597 250 D N -0.418 120.144 120.400 0.270 0.000 2.563 250 D HA 0.311 4.951 4.640 -0.000 0.000 0.229 250 D C 0.588 177.010 176.300 0.204 0.000 1.159 250 D CA 2.301 56.408 54.000 0.179 0.000 0.869 250 D CB 0.295 41.163 40.800 0.112 0.000 1.203 250 D HN 0.987 nan 8.370 nan 0.000 0.478 251 G N 1.960 110.826 108.800 0.110 0.000 2.336 251 G HA2 0.124 4.084 3.960 -0.000 0.000 0.300 251 G HA3 0.124 4.084 3.960 -0.000 0.000 0.300 251 G C -2.224 172.713 174.900 0.062 0.000 1.375 251 G CA -0.503 44.649 45.100 0.086 0.000 0.885 251 G HN 0.283 nan 8.290 nan 0.000 0.599 252 P HA -0.014 nan 4.420 nan 0.000 0.218 252 P C 1.723 179.055 177.300 0.052 0.000 1.150 252 P CA 3.607 66.733 63.100 0.044 0.000 0.841 252 P CB -0.001 31.718 31.700 0.031 0.000 0.784 253 F N -1.003 118.977 119.950 0.049 0.000 2.480 253 F HA 0.493 5.020 4.527 -0.000 0.000 0.280 253 F C 1.766 177.614 175.800 0.080 0.000 1.002 253 F CA -0.003 58.031 58.000 0.056 0.000 1.325 253 F CB -1.094 37.926 39.000 0.034 0.000 1.134 253 F HN -0.031 nan 8.300 nan 0.000 0.646 254 G N -1.329 107.501 108.800 0.050 0.000 2.744 254 G HA2 0.456 4.416 3.960 -0.000 0.000 0.257 254 G HA3 0.456 4.416 3.960 -0.000 0.000 0.257 254 G C 1.134 176.093 174.900 0.099 0.000 1.244 254 G CA 0.429 45.560 45.100 0.051 0.000 0.916 254 G HN 2.148 nan 8.290 nan 0.000 0.564 255 A N -1.296 121.578 122.820 0.091 0.000 2.596 255 A HA -0.234 4.086 4.320 -0.000 0.000 0.300 255 A C 1.064 178.704 177.584 0.092 0.000 1.495 255 A CA 1.537 53.626 52.037 0.087 0.000 0.769 255 A CB -1.794 17.248 19.000 0.070 0.000 1.047 255 A HN 1.584 nan 8.150 nan 0.000 0.436 256 F N 0.763 120.724 119.950 0.018 0.000 2.084 256 F HA -0.106 4.421 4.527 -0.000 0.000 0.296 256 F C 2.270 178.080 175.800 0.017 0.000 1.111 256 F CA 2.535 60.546 58.000 0.018 0.000 1.224 256 F CB -0.408 38.603 39.000 0.018 0.000 0.991 256 F HN 0.318 nan 8.300 nan 0.000 0.471 257 S N 0.293 115.964 115.700 -0.048 0.000 2.353 257 S HA -0.192 4.278 4.470 -0.000 0.000 0.222 257 S C 2.163 176.649 174.600 -0.190 0.000 1.035 257 S CA 1.501 59.610 58.200 -0.151 0.000 1.025 257 S CB -0.773 62.481 63.200 0.090 0.000 0.902 257 S HN 0.278 nan 8.310 nan 0.000 0.440 258 V N 1.918 121.777 119.914 -0.092 0.000 2.282 258 V HA -0.254 3.866 4.120 -0.000 0.000 0.249 258 V C 2.264 178.289 176.094 -0.115 0.000 1.057 258 V CA 1.841 64.097 62.300 -0.073 0.000 1.032 258 V CB -0.590 31.218 31.823 -0.026 0.000 0.645 258 V HN 0.427 nan 8.190 nan 0.000 0.447 259 K N -0.477 119.830 120.400 -0.154 0.000 2.057 259 K HA -0.181 4.139 4.320 -0.000 0.000 0.206 259 K C 2.373 178.843 176.600 -0.218 0.000 1.050 259 K CA 1.220 57.413 56.287 -0.156 0.000 0.935 259 K CB -0.246 32.174 32.500 -0.133 0.000 0.715 259 K HN 0.134 nan 8.250 nan 0.000 0.439 260 R N 1.572 121.838 120.500 -0.390 0.000 2.091 260 R HA -0.054 4.286 4.340 -0.000 0.000 0.238 260 R C 1.854 178.037 176.300 -0.196 0.000 1.136 260 R CA 1.362 57.236 56.100 -0.378 0.000 0.959 260 R CB -0.741 29.173 30.300 -0.644 0.000 0.856 260 R HN 0.171 nan 8.270 nan 0.000 0.437 261 L N -0.498 120.629 121.223 -0.160 0.000 2.079 261 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 261 L C 2.193 179.021 176.870 -0.070 0.000 1.081 261 L CA 1.121 55.907 54.840 -0.089 0.000 0.752 261 L CB -0.389 41.631 42.059 -0.065 0.000 0.896 261 L HN 0.045 nan 8.230 nan 0.000 0.433 262 V N -0.642 119.226 119.914 -0.077 0.000 2.283 262 V HA -0.227 3.893 4.120 -0.000 0.000 0.243 262 V C 2.592 178.655 176.094 -0.052 0.000 1.039 262 V CA 1.884 64.151 62.300 -0.055 0.000 1.016 262 V CB -0.698 31.093 31.823 -0.052 0.000 0.650 262 V HN 0.614 nan 8.190 nan 0.000 0.449 263 S N -0.385 115.275 115.700 -0.066 0.000 2.447 263 S HA -0.102 4.368 4.470 -0.000 0.000 0.233 263 S C 1.777 176.351 174.600 -0.044 0.000 1.006 263 S CA 1.325 59.493 58.200 -0.053 0.000 0.957 263 S CB -0.504 62.660 63.200 -0.061 0.000 0.773 263 S HN 0.527 nan 8.310 nan 0.000 0.507 264 M N 0.512 120.082 119.600 -0.051 0.000 2.561 264 M HA 0.211 4.691 4.480 -0.000 0.000 0.238 264 M C -0.261 176.023 176.300 -0.027 0.000 1.131 264 M CA 0.242 55.520 55.300 -0.036 0.000 1.046 264 M CB -0.029 32.548 32.600 -0.038 0.000 1.532 264 M HN 0.047 nan 8.290 nan 0.000 0.497 265 K N 0.757 121.139 120.400 -0.029 0.000 3.200 265 K HA -0.145 4.175 4.320 -0.000 0.000 0.272 265 K C 0.212 176.801 176.600 -0.019 0.000 1.150 265 K CA 0.434 56.707 56.287 -0.022 0.000 0.801 265 K CB -1.954 30.535 32.500 -0.018 0.000 1.269 265 K HN 0.419 nan 8.250 nan 0.000 0.500 266 Q N -1.070 118.716 119.800 -0.023 0.000 2.431 266 Q HA 0.278 4.618 4.340 -0.000 0.000 0.244 266 Q C 0.749 176.739 176.000 -0.016 0.000 0.880 266 Q CA 0.528 56.321 55.803 -0.017 0.000 0.954 266 Q CB 0.559 29.287 28.738 -0.017 0.000 1.105 266 Q HN 0.279 nan 8.270 nan 0.000 0.558 267 M N 0.901 120.488 119.600 -0.023 0.000 2.472 267 M HA 0.218 4.698 4.480 -0.000 0.000 0.331 267 M C 0.969 177.258 176.300 -0.019 0.000 1.170 267 M CA -0.203 55.085 55.300 -0.021 0.000 1.009 267 M CB 1.601 34.185 32.600 -0.027 0.000 1.672 267 M HN -0.094 nan 8.290 nan 0.000 0.453 268 E N 2.005 122.196 120.200 -0.015 0.000 2.110 268 E HA -0.076 4.274 4.350 -0.000 0.000 0.193 268 E C 0.472 177.063 176.600 -0.016 0.000 0.988 268 E CA 1.009 57.400 56.400 -0.014 0.000 0.804 268 E CB 0.361 30.054 29.700 -0.011 0.000 0.745 268 E HN 0.715 nan 8.360 nan 0.000 0.458 269 R N -2.433 118.057 120.500 -0.017 0.000 3.084 269 R HA 0.214 4.554 4.340 -0.000 0.000 0.280 269 R C -1.650 174.639 176.300 -0.019 0.000 0.935 269 R CA -0.758 55.331 56.100 -0.018 0.000 0.815 269 R CB -0.111 30.180 30.300 -0.015 0.000 1.457 269 R HN -0.063 nan 8.270 nan 0.000 0.499 270 L N 2.122 123.335 121.223 -0.018 0.000 2.296 270 L HA 0.420 4.760 4.340 -0.000 0.000 0.286 270 L C 0.897 177.758 176.870 -0.014 0.000 1.023 270 L CA -0.503 54.327 54.840 -0.016 0.000 0.812 270 L CB 1.513 43.562 42.059 -0.016 0.000 1.223 270 L HN 0.646 nan 8.230 nan 0.000 0.421 271 N N 2.616 121.308 118.700 -0.014 0.000 2.166 271 N HA -0.015 4.725 4.740 -0.000 0.000 0.186 271 N C 0.616 176.116 175.510 -0.017 0.000 1.019 271 N CA 1.006 54.047 53.050 -0.014 0.000 0.856 271 N CB 0.014 38.493 38.487 -0.014 0.000 0.993 271 N HN 0.794 nan 8.380 nan 0.000 0.426 272 G N 1.051 109.841 108.800 -0.017 0.000 2.785 272 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.686 272 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.686 272 G C -0.352 174.529 174.900 -0.031 0.000 1.155 272 G CA -0.247 44.840 45.100 -0.022 0.000 0.760 272 G HN 0.248 nan 8.290 nan 0.000 0.624 273 M N 2.326 121.900 119.600 -0.044 0.000 2.238 273 M HA 0.323 4.803 4.480 -0.000 0.000 0.350 273 M C 0.991 177.245 176.300 -0.075 0.000 1.321 273 M CA -0.133 55.126 55.300 -0.068 0.000 1.097 273 M CB 0.252 32.778 32.600 -0.123 0.000 1.713 273 M HN 0.674 nan 8.290 nan 0.000 0.455 274 R N 3.260 123.721 120.500 -0.066 0.000 2.524 274 R HA 0.570 4.910 4.340 -0.000 0.000 0.236 274 R C 0.507 176.765 176.300 -0.070 0.000 1.240 274 R CA -0.175 55.889 56.100 -0.060 0.000 1.111 274 R CB -0.559 29.715 30.300 -0.045 0.000 1.436 274 R HN 0.918 nan 8.270 nan 0.000 0.573 275 G N 0.070 108.835 108.800 -0.057 0.000 2.744 275 G HA2 0.140 4.100 3.960 -0.000 0.000 0.257 275 G HA3 0.140 4.100 3.960 -0.000 0.000 0.257 275 G C -0.562 174.301 174.900 -0.062 0.000 1.244 275 G CA -0.514 44.551 45.100 -0.058 0.000 0.916 275 G HN 0.373 nan 8.290 nan 0.000 0.564 276 L N 0.275 121.462 121.223 -0.060 0.000 2.260 276 L HA 0.410 4.750 4.340 -0.000 0.000 0.289 276 L C -0.754 176.085 176.870 -0.053 0.000 1.057 276 L CA -0.413 54.390 54.840 -0.062 0.000 0.811 276 L CB 0.993 43.014 42.059 -0.063 0.000 1.184 276 L HN 0.443 nan 8.230 nan 0.000 0.429 277 D N 5.330 125.698 120.400 -0.054 0.000 2.586 277 D HA 0.137 4.777 4.640 -0.000 0.000 0.254 277 D C 0.907 177.176 176.300 -0.051 0.000 1.248 277 D CA -0.286 53.685 54.000 -0.047 0.000 0.843 277 D CB 0.748 41.524 40.800 -0.040 0.000 1.332 277 D HN 0.563 nan 8.370 nan 0.000 0.523 278 M N 0.516 120.081 119.600 -0.059 0.000 2.204 278 M HA -0.324 4.156 4.480 -0.000 0.000 0.255 278 M C 2.001 178.268 176.300 -0.054 0.000 1.073 278 M CA 2.134 57.394 55.300 -0.065 0.000 1.084 278 M CB -0.251 32.304 32.600 -0.075 0.000 1.289 278 M HN 0.380 nan 8.290 nan 0.000 0.419 279 Q N -0.195 119.578 119.800 -0.045 0.000 2.045 279 Q HA -0.207 4.133 4.340 -0.000 0.000 0.206 279 Q C 2.292 178.273 176.000 -0.032 0.000 0.991 279 Q CA 2.483 58.265 55.803 -0.036 0.000 0.851 279 Q CB -0.224 28.497 28.738 -0.029 0.000 0.911 279 Q HN 0.705 nan 8.270 nan 0.000 0.418 280 S N 0.011 115.692 115.700 -0.031 0.000 2.371 280 S HA -0.065 4.405 4.470 -0.000 0.000 0.224 280 S C 2.143 176.725 174.600 -0.031 0.000 1.029 280 S CA 0.802 58.985 58.200 -0.028 0.000 0.978 280 S CB -0.370 62.814 63.200 -0.026 0.000 0.833 280 S HN 0.397 nan 8.310 nan 0.000 0.466 281 A N 2.348 125.145 122.820 -0.038 0.000 1.859 281 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 281 A C 2.227 179.786 177.584 -0.042 0.000 1.198 281 A CA 1.786 53.797 52.037 -0.042 0.000 0.629 281 A CB -1.022 17.946 19.000 -0.053 0.000 0.830 281 A HN 0.681 nan 8.150 nan 0.000 0.446 282 E N -0.359 119.812 120.200 -0.048 0.000 2.085 282 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 282 E C 1.627 178.205 176.600 -0.036 0.000 0.994 282 E CA 1.408 57.780 56.400 -0.048 0.000 0.801 282 E CB -0.346 29.323 29.700 -0.052 0.000 0.743 282 E HN 0.575 nan 8.360 nan 0.000 0.453 283 D N 0.471 120.853 120.400 -0.029 0.000 2.144 283 D HA -0.110 4.530 4.640 -0.000 0.000 0.199 283 D C 1.852 178.141 176.300 -0.019 0.000 0.984 283 D CA 1.245 55.231 54.000 -0.022 0.000 0.834 283 D CB -0.308 40.481 40.800 -0.018 0.000 0.955 283 D HN 0.167 nan 8.370 nan 0.000 0.465 284 A N 0.931 123.739 122.820 -0.020 0.000 1.902 284 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 284 A C 2.118 179.693 177.584 -0.015 0.000 1.181 284 A CA 0.920 52.947 52.037 -0.017 0.000 0.623 284 A CB -0.459 18.529 19.000 -0.019 0.000 0.818 284 A HN 0.114 nan 8.150 nan 0.000 0.443 285 I N -0.255 120.303 120.570 -0.020 0.000 2.252 285 I HA -0.146 4.024 4.170 -0.000 0.000 0.245 285 I C 2.530 178.638 176.117 -0.015 0.000 1.102 285 I CA 1.055 62.345 61.300 -0.017 0.000 1.385 285 I CB -1.409 36.577 38.000 -0.024 0.000 1.064 285 I HN 0.136 nan 8.210 nan 0.000 0.414 286 V N 1.577 121.479 119.914 -0.020 0.000 2.244 286 V HA -0.230 3.890 4.120 -0.000 0.000 0.244 286 V C 2.184 178.273 176.094 -0.007 0.000 1.042 286 V CA 1.758 64.046 62.300 -0.019 0.000 1.006 286 V CB -0.814 30.993 31.823 -0.027 0.000 0.641 286 V HN 0.390 nan 8.190 nan 0.000 0.446 287 N N 0.942 119.639 118.700 -0.006 0.000 2.364 287 N HA -0.104 4.636 4.740 -0.000 0.000 0.183 287 N C 1.257 176.771 175.510 0.007 0.000 1.022 287 N CA 0.975 54.026 53.050 0.002 0.000 0.883 287 N CB -0.384 38.102 38.487 -0.001 0.000 0.965 287 N HN 0.513 nan 8.380 nan 0.000 0.438 288 N N -0.036 118.666 118.700 0.004 0.000 2.230 288 N HA 0.021 4.761 4.740 -0.000 0.000 0.202 288 N C -0.356 175.161 175.510 0.012 0.000 1.119 288 N CA 0.153 53.207 53.050 0.007 0.000 0.851 288 N CB 0.365 38.853 38.487 0.003 0.000 0.990 288 N HN 0.002 nan 8.380 nan 0.000 0.497 289 T N 2.845 117.407 114.554 0.014 0.000 2.784 289 T HA 0.258 4.608 4.350 -0.000 0.000 0.291 289 T C 0.543 175.260 174.700 0.027 0.000 0.942 289 T CA 0.119 62.230 62.100 0.019 0.000 1.161 289 T CB 0.303 69.182 68.868 0.018 0.000 0.885 289 T HN 0.369 nan 8.240 nan 0.000 0.534 290 R N 1.519 122.035 120.500 0.025 0.000 2.907 290 R HA 0.461 4.801 4.340 -0.000 0.000 0.266 290 R C -1.143 175.171 176.300 0.024 0.000 1.031 290 R CA -1.071 55.045 56.100 0.026 0.000 0.904 290 R CB 0.439 30.753 30.300 0.023 0.000 1.358 290 R HN 0.435 nan 8.270 nan 0.000 0.438 291 E N 0.892 121.104 120.200 0.021 0.000 2.166 291 E HA 0.098 4.448 4.350 -0.000 0.000 0.279 291 E C 0.302 176.910 176.600 0.015 0.000 1.095 291 E CA -0.346 56.066 56.400 0.019 0.000 0.888 291 E CB 0.416 30.125 29.700 0.015 0.000 1.041 291 E HN 0.491 nan 8.360 nan 0.000 0.414 292 I N 4.255 124.834 120.570 0.016 0.000 2.406 292 I HA -0.015 4.155 4.170 -0.000 0.000 0.249 292 I C 0.694 176.816 176.117 0.009 0.000 1.122 292 I CA 0.740 62.047 61.300 0.011 0.000 1.431 292 I CB -0.178 37.829 38.000 0.010 0.000 1.087 292 I HN 0.319 nan 8.210 nan 0.000 0.424 293 V N 0.231 120.151 119.914 0.010 0.000 3.087 293 V HA 0.294 4.414 4.120 -0.000 0.000 0.306 293 V C -2.501 173.597 176.094 0.007 0.000 1.187 293 V CA -1.570 60.735 62.300 0.009 0.000 0.999 293 V CB 2.331 34.160 31.823 0.009 0.000 1.049 293 V HN -0.091 nan 8.190 nan 0.000 0.431 294 P HA 0.140 nan 4.420 nan 0.000 0.255 294 P C 0.858 178.159 177.300 0.000 0.000 1.161 294 P CA 2.009 65.102 63.100 -0.012 0.000 0.768 294 P CB 0.110 31.791 31.700 -0.033 0.000 0.746 295 G N 2.007 110.811 108.800 0.007 0.000 2.199 295 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.254 295 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.254 295 G C -0.362 174.562 174.900 0.040 0.000 0.982 295 G CA -0.111 45.003 45.100 0.024 0.000 0.632 295 G HN 0.589 nan 8.290 nan 0.000 0.529 296 L N 1.138 122.382 121.223 0.034 0.000 2.349 296 L HA 0.849 5.189 4.340 -0.000 0.000 0.278 296 L C -0.354 176.539 176.870 0.038 0.000 0.996 296 L CA -1.131 53.734 54.840 0.042 0.000 0.825 296 L CB 1.387 43.469 42.059 0.038 0.000 1.243 296 L HN 0.144 nan 8.230 nan 0.000 0.412 297 I N 5.193 125.790 120.570 0.045 0.000 2.474 297 I HA 0.622 4.792 4.170 -0.000 0.000 0.294 297 I C -0.899 175.244 176.117 0.043 0.000 1.005 297 I CA -0.875 60.450 61.300 0.041 0.000 1.113 297 I CB 2.146 40.172 38.000 0.044 0.000 1.289 297 I HN 0.261 nan 8.210 nan 0.000 0.436 298 V N 4.054 123.989 119.914 0.036 0.000 2.735 298 V HA 0.933 5.053 4.120 -0.000 0.000 0.310 298 V C 0.169 176.281 176.094 0.030 0.000 1.061 298 V CA -0.387 61.935 62.300 0.036 0.000 0.913 298 V CB 1.651 33.493 31.823 0.031 0.000 1.005 298 V HN 0.970 nan 8.190 nan 0.000 0.428 299 G N 0.900 109.718 108.800 0.031 0.000 2.682 299 G HA2 0.805 4.765 3.960 -0.000 0.000 0.303 299 G HA3 0.805 4.765 3.960 -0.000 0.000 0.303 299 G C -0.078 174.835 174.900 0.021 0.000 1.341 299 G CA 0.355 45.468 45.100 0.021 0.000 0.784 299 G HN 1.664 nan 8.290 nan 0.000 0.497 300 G N -0.983 107.823 108.800 0.010 0.000 2.598 300 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.244 300 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.244 300 G C 0.913 175.822 174.900 0.015 0.000 1.302 300 G CA 0.494 45.600 45.100 0.010 0.000 0.903 300 G HN 0.921 nan 8.290 nan 0.000 0.575 301 M N 0.804 120.418 119.600 0.025 0.000 2.562 301 M HA 0.099 4.579 4.480 -0.000 0.000 0.257 301 M C 2.162 178.508 176.300 0.077 0.000 1.099 301 M CA 1.768 57.102 55.300 0.057 0.000 1.099 301 M CB -0.956 31.707 32.600 0.105 0.000 1.427 301 M HN 0.784 nan 8.290 nan 0.000 0.489 302 E N 0.326 120.560 120.200 0.056 0.000 2.150 302 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 302 E C 1.874 178.500 176.600 0.043 0.000 0.985 302 E CA 0.774 57.209 56.400 0.059 0.000 0.814 302 E CB -0.021 29.712 29.700 0.056 0.000 0.752 302 E HN 0.301 nan 8.360 nan 0.000 0.466 303 L N 1.077 122.320 121.223 0.033 0.000 2.191 303 L HA -0.138 4.202 4.340 -0.000 0.000 0.212 303 L C 2.212 179.091 176.870 0.015 0.000 1.103 303 L CA 2.099 56.951 54.840 0.020 0.000 0.769 303 L CB -0.474 41.594 42.059 0.014 0.000 0.908 303 L HN 0.255 nan 8.230 nan 0.000 0.438 304 S N -2.357 113.355 115.700 0.020 0.000 2.461 304 S HA -0.049 4.421 4.470 -0.000 0.000 0.228 304 S C 1.727 176.329 174.600 0.005 0.000 1.005 304 S CA 0.383 58.587 58.200 0.007 0.000 0.942 304 S CB -0.357 62.844 63.200 0.001 0.000 0.776 304 S HN 0.461 nan 8.310 nan 0.000 0.514 305 E N 1.598 121.810 120.200 0.020 0.000 2.046 305 E HA 0.065 4.415 4.350 -0.000 0.000 0.190 305 E C 1.957 178.558 176.600 0.001 0.000 0.982 305 E CA 0.952 57.360 56.400 0.013 0.000 0.800 305 E CB -0.432 29.286 29.700 0.030 0.000 0.756 305 E HN 0.631 nan 8.360 nan 0.000 0.449 306 I N 0.969 121.540 120.570 0.001 0.000 2.500 306 I HA -0.199 3.971 4.170 -0.000 0.000 0.252 306 I C 0.974 177.087 176.117 -0.006 0.000 1.142 306 I CA 1.200 62.497 61.300 -0.005 0.000 1.451 306 I CB 0.231 38.228 38.000 -0.004 0.000 1.093 306 I HN -0.126 nan 8.210 nan 0.000 0.430 307 D N 0.904 121.301 120.400 -0.004 0.000 2.305 307 D HA 0.117 4.757 4.640 -0.000 0.000 0.206 307 D C 1.432 177.726 176.300 -0.010 0.000 0.974 307 D CA 1.126 55.123 54.000 -0.006 0.000 0.871 307 D CB 0.195 40.992 40.800 -0.005 0.000 0.947 307 D HN 0.463 nan 8.370 nan 0.000 0.516 308 G N 0.608 109.400 108.800 -0.013 0.000 2.212 308 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.255 308 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.255 308 G C 0.429 175.316 174.900 -0.022 0.000 1.062 308 G CA 0.300 45.389 45.100 -0.018 0.000 0.815 308 G HN 0.579 nan 8.290 nan 0.000 0.497 309 A N -0.396 122.411 122.820 -0.022 0.000 2.257 309 A HA 0.736 5.056 4.320 -0.000 0.000 0.289 309 A C 0.737 178.300 177.584 -0.036 0.000 1.095 309 A CA -0.427 51.594 52.037 -0.025 0.000 0.836 309 A CB 0.466 19.454 19.000 -0.021 0.000 1.111 309 A HN 0.403 nan 8.150 nan 0.000 0.497 310 N N 0.228 118.905 118.700 -0.039 0.000 2.354 310 N HA 0.239 4.979 4.740 -0.000 0.000 0.246 310 N C 0.108 175.584 175.510 -0.057 0.000 1.285 310 N CA 0.010 53.031 53.050 -0.049 0.000 0.925 310 N CB 0.509 38.968 38.487 -0.046 0.000 1.174 310 N HN 0.736 nan 8.380 nan 0.000 0.478 311 R N -0.455 120.002 120.500 -0.072 0.000 2.691 311 R HA 0.452 4.792 4.340 -0.000 0.000 0.259 311 R C 0.849 177.101 176.300 -0.081 0.000 1.048 311 R CA -0.662 55.390 56.100 -0.079 0.000 1.086 311 R CB 0.689 30.923 30.300 -0.109 0.000 1.166 311 R HN 0.493 nan 8.270 nan 0.000 0.526 312 M N -0.964 118.578 119.600 -0.096 0.000 2.292 312 M HA 0.278 4.758 4.480 -0.000 0.000 0.286 312 M C 0.572 176.792 176.300 -0.132 0.000 1.002 312 M CA 0.698 55.931 55.300 -0.112 0.000 1.029 312 M CB -0.133 32.389 32.600 -0.130 0.000 1.537 312 M HN 0.971 nan 8.290 nan 0.000 0.543 313 G N 2.924 111.647 108.800 -0.128 0.000 2.527 313 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.268 313 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.268 313 G C -2.367 172.409 174.900 -0.206 0.000 1.175 313 G CA 0.054 45.077 45.100 -0.127 0.000 0.962 313 G HN 0.469 nan 8.290 nan 0.000 0.560 314 P HA 0.391 nan 4.420 nan 0.000 0.225 314 P C -0.494 176.659 177.300 -0.246 0.000 1.813 314 P CA 0.771 63.742 63.100 -0.214 0.000 1.013 314 P CB 0.371 32.048 31.700 -0.038 0.000 1.961 315 T N 0.914 115.187 114.554 -0.468 0.000 3.237 315 T HA 0.424 4.774 4.350 -0.000 0.000 0.319 315 T C -0.339 174.103 174.700 -0.430 0.000 1.037 315 T CA -0.343 61.591 62.100 -0.276 0.000 1.048 315 T CB 0.289 69.067 68.868 -0.150 0.000 1.081 315 T HN -0.149 nan 8.240 nan 0.000 0.455 316 F N 2.615 122.483 119.950 -0.138 0.000 2.660 316 F HA 0.333 4.860 4.527 -0.000 0.000 0.302 316 F C 2.115 177.802 175.800 -0.190 0.000 1.103 316 F CA -0.308 57.581 58.000 -0.186 0.000 1.340 316 F CB -0.083 38.735 39.000 -0.303 0.000 1.048 316 F HN 0.693 nan 8.300 nan 0.000 0.551 317 G N 0.612 109.410 108.800 -0.005 0.000 2.421 317 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 317 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 317 G C 1.936 176.800 174.900 -0.060 0.000 1.171 317 G CA 0.938 46.016 45.100 -0.036 0.000 0.775 317 G HN 0.408 nan 8.290 nan 0.000 0.543 318 A N 0.355 123.136 122.820 -0.065 0.000 1.933 318 A HA 0.031 4.351 4.320 -0.000 0.000 0.218 318 A C 2.440 179.983 177.584 -0.068 0.000 1.175 318 A CA 1.947 53.944 52.037 -0.066 0.000 0.628 318 A CB -0.313 18.648 19.000 -0.065 0.000 0.814 318 A HN 0.298 nan 8.150 nan 0.000 0.444 319 M N -0.297 119.267 119.600 -0.059 0.000 2.117 319 M HA -0.096 4.384 4.480 -0.000 0.000 0.262 319 M C 2.500 178.760 176.300 -0.067 0.000 1.065 319 M CA 1.620 56.900 55.300 -0.033 0.000 1.114 319 M CB -1.653 30.963 32.600 0.026 0.000 1.361 319 M HN 0.476 nan 8.290 nan 0.000 0.408 320 A N 0.246 122.997 122.820 -0.116 0.000 1.873 320 A HA -0.080 4.240 4.320 -0.000 0.000 0.215 320 A C 2.279 179.599 177.584 -0.439 0.000 1.186 320 A CA 1.219 53.079 52.037 -0.294 0.000 0.616 320 A CB -0.865 17.977 19.000 -0.263 0.000 0.823 320 A HN 0.474 nan 8.150 nan 0.000 0.442 321 L N -0.526 120.536 121.223 -0.268 0.000 2.217 321 L HA -0.075 4.265 4.340 -0.000 0.000 0.211 321 L C 2.758 179.549 176.870 -0.132 0.000 1.107 321 L CA 1.215 55.932 54.840 -0.205 0.000 0.783 321 L CB -0.380 41.614 42.059 -0.109 0.000 0.919 321 L HN 0.506 nan 8.230 nan 0.000 0.442 322 S N 0.298 115.937 115.700 -0.101 0.000 2.423 322 S HA -0.093 4.377 4.470 -0.000 0.000 0.231 322 S C 1.970 176.542 174.600 -0.046 0.000 1.014 322 S CA 1.244 59.413 58.200 -0.053 0.000 0.965 322 S CB -0.178 63.000 63.200 -0.036 0.000 0.785 322 S HN 0.503 nan 8.310 nan 0.000 0.495 323 G N 0.710 109.460 108.800 -0.084 0.000 2.394 323 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.215 323 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.215 323 G C 1.450 176.330 174.900 -0.033 0.000 1.165 323 G CA 0.912 45.981 45.100 -0.051 0.000 0.784 323 G HN 0.451 nan 8.290 nan 0.000 0.535 324 V N 1.078 120.933 119.914 -0.099 0.000 2.295 324 V HA -0.147 3.973 4.120 -0.000 0.000 0.246 324 V C 2.696 178.815 176.094 0.041 0.000 1.049 324 V CA 2.243 64.532 62.300 -0.019 0.000 1.024 324 V CB -0.318 31.467 31.823 -0.064 0.000 0.648 324 V HN 0.365 nan 8.190 nan 0.000 0.447 325 K N 1.078 121.489 120.400 0.019 0.000 2.148 325 K HA -0.014 4.306 4.320 -0.000 0.000 0.204 325 K C 1.984 178.638 176.600 0.089 0.000 1.050 325 K CA 1.598 57.924 56.287 0.065 0.000 0.942 325 K CB -0.654 31.866 32.500 0.033 0.000 0.724 325 K HN 0.381 nan 8.250 nan 0.000 0.446 326 A N 0.564 123.417 122.820 0.054 0.000 1.902 326 A HA -0.013 4.307 4.320 -0.000 0.000 0.217 326 A C 2.385 180.008 177.584 0.065 0.000 1.181 326 A CA 1.930 53.999 52.037 0.053 0.000 0.623 326 A CB -1.049 17.974 19.000 0.039 0.000 0.818 326 A HN 0.401 nan 8.150 nan 0.000 0.443 327 A N -0.952 121.915 122.820 0.078 0.000 1.877 327 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 327 A C 2.050 179.694 177.584 0.099 0.000 1.186 327 A CA 2.144 54.228 52.037 0.079 0.000 0.620 327 A CB -0.989 18.068 19.000 0.095 0.000 0.822 327 A HN 0.710 nan 8.150 nan 0.000 0.443 328 H N -0.085 119.002 119.070 0.028 0.000 2.353 328 H HA -0.120 4.436 4.556 -0.000 0.000 0.298 328 H C 2.011 177.358 175.328 0.031 0.000 1.103 328 H CA 2.018 58.083 56.048 0.029 0.000 1.293 328 H CB 0.035 29.814 29.762 0.029 0.000 1.372 328 H HN 0.408 nan 8.280 nan 0.000 0.501 329 E N 0.076 120.291 120.200 0.024 0.000 2.077 329 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 329 E C 2.432 179.024 176.600 -0.014 0.000 0.989 329 E CA 0.975 57.362 56.400 -0.021 0.000 0.800 329 E CB -0.602 29.117 29.700 0.031 0.000 0.746 329 E HN 0.598 nan 8.360 nan 0.000 0.452 330 A N 1.114 123.944 122.820 0.016 0.000 1.940 330 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 330 A C 2.328 179.945 177.584 0.055 0.000 1.176 330 A CA 1.269 53.332 52.037 0.044 0.000 0.631 330 A CB -0.650 18.365 19.000 0.025 0.000 0.814 330 A HN 0.199 nan 8.150 nan 0.000 0.446 331 I N -1.272 119.291 120.570 -0.012 0.000 2.252 331 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 331 I C 2.698 178.815 176.117 0.000 0.000 1.102 331 I CA 1.493 62.786 61.300 -0.010 0.000 1.385 331 I CB -0.337 37.630 38.000 -0.057 0.000 1.064 331 I HN 0.376 nan 8.210 nan 0.000 0.414 332 R N 0.938 121.380 120.500 -0.097 0.000 2.081 332 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 332 R C 1.881 178.173 176.300 -0.013 0.000 1.131 332 R CA 1.669 57.713 56.100 -0.094 0.000 0.960 332 R CB 0.015 30.221 30.300 -0.157 0.000 0.856 332 R HN 0.229 nan 8.270 nan 0.000 0.436 333 V N 0.704 120.629 119.914 0.018 0.000 3.647 333 V HA -0.038 4.082 4.120 -0.000 0.000 0.279 333 V C 1.530 177.658 176.094 0.057 0.000 1.314 333 V CA 0.235 62.550 62.300 0.025 0.000 1.125 333 V CB -0.499 31.336 31.823 0.020 0.000 0.907 333 V HN 0.221 nan 8.190 nan 0.000 0.434 334 F N 2.447 122.376 119.950 -0.036 0.000 2.026 334 F HA -0.201 4.326 4.527 0.000 0.000 0.296 334 F C 2.201 177.988 175.800 -0.023 0.000 1.133 334 F CA 2.190 60.175 58.000 -0.025 0.000 1.188 334 F CB -0.374 38.612 39.000 -0.023 0.000 0.968 334 F HN 0.210 nan 8.300 nan 0.000 0.476 335 D N 0.424 120.730 120.400 -0.157 0.000 2.149 335 D HA -0.227 4.413 4.640 -0.000 0.000 0.194 335 D C 2.267 178.419 176.300 -0.247 0.000 1.001 335 D CA 1.748 55.601 54.000 -0.246 0.000 0.849 335 D CB -0.813 39.953 40.800 -0.057 0.000 0.939 335 D HN 0.336 nan 8.370 nan 0.000 0.449 336 L N 1.197 122.326 121.223 -0.157 0.000 1.994 336 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 336 L C 2.098 178.871 176.870 -0.162 0.000 1.071 336 L CA 1.686 56.448 54.840 -0.130 0.000 0.745 336 L CB -0.316 41.693 42.059 -0.084 0.000 0.892 336 L HN -0.181 nan 8.230 nan 0.000 0.431 337 R N 0.197 120.590 120.500 -0.179 0.000 2.096 337 R HA -0.163 4.177 4.340 -0.000 0.000 0.235 337 R C 2.230 178.391 176.300 -0.231 0.000 1.127 337 R CA 1.433 57.435 56.100 -0.164 0.000 0.968 337 R CB -0.954 29.283 30.300 -0.106 0.000 0.861 337 R HN 0.373 nan 8.270 nan 0.000 0.440 338 K N 1.228 121.371 120.400 -0.427 0.000 2.026 338 K HA -0.040 4.280 4.320 -0.000 0.000 0.208 338 K C 1.895 178.348 176.600 -0.244 0.000 1.048 338 K CA 1.790 57.806 56.287 -0.451 0.000 0.929 338 K CB -0.503 31.507 32.500 -0.817 0.000 0.713 338 K HN 0.087 nan 8.250 nan 0.000 0.439 339 A N 0.644 123.335 122.820 -0.215 0.000 1.877 339 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 339 A C 2.134 179.657 177.584 -0.102 0.000 1.186 339 A CA 1.915 53.872 52.037 -0.133 0.000 0.620 339 A CB -0.687 18.245 19.000 -0.113 0.000 0.822 339 A HN 0.574 nan 8.150 nan 0.000 0.443 340 Q N -0.819 118.918 119.800 -0.105 0.000 2.226 340 Q HA -0.104 4.236 4.340 -0.000 0.000 0.204 340 Q C 1.728 177.689 176.000 -0.065 0.000 0.975 340 Q CA 1.232 56.987 55.803 -0.079 0.000 0.866 340 Q CB -0.207 28.482 28.738 -0.082 0.000 0.915 340 Q HN 0.781 nan 8.270 nan 0.000 0.440 341 N N 0.134 118.788 118.700 -0.077 0.000 2.398 341 N HA -0.043 4.697 4.740 -0.000 0.000 0.188 341 N C -0.443 175.040 175.510 -0.044 0.000 1.122 341 N CA -0.064 52.954 53.050 -0.055 0.000 0.866 341 N CB 0.519 38.972 38.487 -0.056 0.000 0.970 341 N HN 0.159 nan 8.380 nan 0.000 0.462 342 D N 0.000 120.370 120.400 -0.051 0.000 6.856 342 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 342 D CA 0.000 53.978 54.000 -0.037 0.000 0.868 342 D CB 0.000 40.775 40.800 -0.042 0.000 0.688 342 D HN 0.000 nan 8.370 nan 0.000 0.683