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 1i0a_1_D DATA FIRST_RESID 20 DATA SEQUENCE IMEILSSSIS TEQRLTEVDI QASMAYAKAL EKASILTKTE LEKILSGLEK DATA SEQUENCE ISEESSKGVL VMTQSDEDIQ TAIERRLKEL IGDIAGKLQT GRSRNEQVVT DATA SEQUENCE DLKLLLKSSI SVISTHLLQL IKTLVERAAI EIDIIMPGYT HLQKALPIRW DATA SEQUENCE SQFLLSHAVA LTRDSERLGE VKKRITVLPL GSGVLAGNPL EIDRELLRSE DATA SEQUENCE LDMTSITLNS IDAISERDFV VELISVATLL MIHLSKLAED LIIFSTTEFG DATA SEQUENCE FVTLSDAYST GSSLLPQKKN PDSLELIRSK AGRVFGRLAA ILMVLKGIPS DATA SEQUENCE TFSKDLQEDK EAVLDVVDTL TAVLQVATGV ISTLQINKEN MEKALTPELL DATA SEQUENCE STDLALYLVR KGMPIRQAQT ASGKAVHLAE TKGITINNLT LEDLKSISPL DATA SEQUENCE FASDVSQVFS VVNSVEQYTA VGGTAKSSVT AQIEQLRELL KKQ 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 20 I HA 0.000 nan 4.170 nan 0.000 0.288 20 I C 0.000 176.115 176.117 -0.004 0.000 1.063 20 I CA 0.000 61.298 61.300 -0.004 0.000 1.566 20 I CB 0.000 37.998 38.000 -0.003 0.000 1.214 21 M N 1.222 120.821 119.600 -0.002 0.000 2.460 21 M HA 0.043 4.524 4.480 0.001 0.000 0.263 21 M C 1.412 177.711 176.300 -0.001 0.000 1.071 21 M CA 1.340 56.639 55.300 -0.001 0.000 1.096 21 M CB -1.203 31.398 32.600 0.001 0.000 1.408 21 M HN 0.764 nan 8.290 nan 0.000 0.463 22 E N -0.502 119.697 120.200 -0.001 0.000 2.331 22 E HA -0.153 4.198 4.350 0.001 0.000 0.199 22 E C 1.255 177.855 176.600 -0.001 0.000 1.008 22 E CA 0.864 57.264 56.400 -0.000 0.000 0.843 22 E CB -0.121 29.579 29.700 -0.001 0.000 0.761 22 E HN 0.458 nan 8.360 nan 0.000 0.507 23 I N -0.966 119.602 120.570 -0.003 0.000 4.620 23 I HA 0.087 4.258 4.170 0.001 0.000 0.347 23 I C 0.589 176.703 176.117 -0.006 0.000 1.302 23 I CA 0.094 61.392 61.300 -0.004 0.000 1.277 23 I CB 0.936 38.934 38.000 -0.005 0.000 1.566 23 I HN -0.060 nan 8.210 nan 0.000 0.547 24 L N 0.127 121.347 121.223 -0.005 0.000 2.463 24 L HA 0.409 4.750 4.340 0.001 0.000 0.219 24 L C 1.267 178.133 176.870 -0.007 0.000 1.088 24 L CA 0.737 55.572 54.840 -0.008 0.000 0.849 24 L CB -0.152 41.902 42.059 -0.008 0.000 1.012 24 L HN 0.355 nan 8.230 nan 0.000 0.468 25 S N -2.325 113.374 115.700 -0.003 0.000 2.693 25 S HA 0.345 4.815 4.470 0.001 0.000 0.276 25 S C 0.402 175.003 174.600 0.002 0.000 1.192 25 S CA -0.527 57.673 58.200 0.001 0.000 0.994 25 S CB 1.110 64.314 63.200 0.006 0.000 1.012 25 S HN 0.099 nan 8.310 nan 0.000 0.550 26 S N 1.662 117.365 115.700 0.006 0.000 2.546 26 S HA 0.247 4.718 4.470 0.001 0.000 0.290 26 S C 0.595 175.199 174.600 0.006 0.000 1.290 26 S CA -0.449 57.755 58.200 0.006 0.000 1.069 26 S CB -0.747 62.461 63.200 0.013 0.000 0.846 26 S HN 1.003 nan 8.310 nan 0.000 0.495 27 S N 5.331 121.034 115.700 0.004 0.000 2.566 27 S HA 0.151 4.621 4.470 0.001 0.000 0.280 27 S C 1.470 176.074 174.600 0.006 0.000 1.343 27 S CA -0.572 57.631 58.200 0.004 0.000 1.036 27 S CB 0.195 63.396 63.200 0.002 0.000 0.866 27 S HN 0.710 nan 8.310 nan 0.000 0.526 28 I N 1.301 121.874 120.570 0.006 0.000 2.394 28 I HA -0.149 4.022 4.170 0.001 0.000 0.251 28 I C 2.424 178.545 176.117 0.007 0.000 1.136 28 I CA 1.017 62.321 61.300 0.007 0.000 1.425 28 I CB -0.583 37.420 38.000 0.006 0.000 1.079 28 I HN 0.690 nan 8.210 nan 0.000 0.425 29 S N 0.255 115.959 115.700 0.007 0.000 2.419 29 S HA -0.169 4.302 4.470 0.001 0.000 0.233 29 S C 2.085 176.690 174.600 0.009 0.000 1.016 29 S CA 1.947 60.152 58.200 0.007 0.000 0.974 29 S CB -0.447 62.757 63.200 0.006 0.000 0.786 29 S HN 0.654 nan 8.310 nan 0.000 0.492 30 T N -0.221 114.338 114.554 0.010 0.000 2.937 30 T HA 0.104 4.455 4.350 0.001 0.000 0.260 30 T C 1.631 176.340 174.700 0.015 0.000 1.051 30 T CA 0.995 63.102 62.100 0.012 0.000 1.141 30 T CB -0.265 68.610 68.868 0.011 0.000 0.879 30 T HN 0.194 nan 8.240 nan 0.000 0.459 31 E N 1.209 121.417 120.200 0.013 0.000 2.110 31 E HA -0.113 4.238 4.350 0.001 0.000 0.193 31 E C 2.328 178.935 176.600 0.012 0.000 0.988 31 E CA 1.004 57.413 56.400 0.014 0.000 0.804 31 E CB -0.396 29.312 29.700 0.013 0.000 0.745 31 E HN 0.511 nan 8.360 nan 0.000 0.458 32 Q N 0.364 120.170 119.800 0.011 0.000 2.226 32 Q HA -0.052 4.289 4.340 0.001 0.000 0.204 32 Q C 1.572 177.579 176.000 0.011 0.000 0.975 32 Q CA 1.353 57.161 55.803 0.010 0.000 0.866 32 Q CB 0.000 28.743 28.738 0.009 0.000 0.915 32 Q HN 0.180 nan 8.270 nan 0.000 0.440 33 R N -0.785 119.723 120.500 0.013 0.000 2.280 33 R HA 0.043 4.384 4.340 0.001 0.000 0.207 33 R C 1.063 177.373 176.300 0.016 0.000 1.043 33 R CA 0.583 56.692 56.100 0.015 0.000 1.006 33 R CB 0.074 30.385 30.300 0.018 0.000 0.885 33 R HN 0.276 nan 8.270 nan 0.000 0.467 34 L N -0.274 120.958 121.223 0.015 0.000 2.667 34 L HA 0.103 4.444 4.340 0.001 0.000 0.232 34 L C 1.445 178.320 176.870 0.009 0.000 1.138 34 L CA 0.034 54.883 54.840 0.014 0.000 0.921 34 L CB 0.201 42.271 42.059 0.017 0.000 1.180 34 L HN 0.070 nan 8.230 nan 0.000 0.487 35 T N -0.407 114.152 114.554 0.008 0.000 2.595 35 T HA -0.193 4.158 4.350 0.001 0.000 0.264 35 T C 1.796 176.499 174.700 0.005 0.000 1.058 35 T CA 1.355 63.458 62.100 0.006 0.000 1.166 35 T CB -0.007 68.864 68.868 0.006 0.000 0.863 35 T HN 0.229 nan 8.240 nan 0.000 0.415 36 E N 0.772 120.976 120.200 0.006 0.000 2.085 36 E HA -0.116 4.235 4.350 0.001 0.000 0.194 36 E C 2.550 179.152 176.600 0.003 0.000 0.994 36 E CA 1.330 57.733 56.400 0.005 0.000 0.801 36 E CB -0.487 29.217 29.700 0.006 0.000 0.743 36 E HN 0.529 nan 8.360 nan 0.000 0.453 37 V N -1.144 118.771 119.914 0.002 0.000 2.667 37 V HA -0.140 3.981 4.120 0.001 0.000 0.252 37 V C 1.965 178.057 176.094 -0.005 0.000 1.065 37 V CA 2.146 64.445 62.300 -0.002 0.000 1.083 37 V CB -0.471 31.350 31.823 -0.003 0.000 0.692 37 V HN -0.010 nan 8.190 nan 0.000 0.468 38 D N 0.549 120.946 120.400 -0.004 0.000 2.149 38 D HA -0.084 4.557 4.640 0.001 0.000 0.201 38 D C 1.915 178.212 176.300 -0.005 0.000 0.972 38 D CA 1.624 55.618 54.000 -0.009 0.000 0.835 38 D CB -0.223 40.571 40.800 -0.009 0.000 0.966 38 D HN 0.514 nan 8.370 nan 0.000 0.476 39 I N 0.177 120.748 120.570 0.001 0.000 2.252 39 I HA -0.220 3.950 4.170 0.001 0.000 0.245 39 I C 2.521 178.644 176.117 0.010 0.000 1.102 39 I CA 0.925 62.228 61.300 0.006 0.000 1.385 39 I CB -0.299 37.704 38.000 0.006 0.000 1.064 39 I HN 0.172 nan 8.210 nan 0.000 0.414 40 Q N 0.759 120.563 119.800 0.006 0.000 2.124 40 Q HA -0.205 4.136 4.340 0.001 0.000 0.202 40 Q C 2.280 178.288 176.000 0.013 0.000 0.977 40 Q CA 1.753 57.560 55.803 0.008 0.000 0.850 40 Q CB -0.019 28.720 28.738 0.003 0.000 0.901 40 Q HN 0.563 nan 8.270 nan 0.000 0.429 41 A N -0.434 122.390 122.820 0.007 0.000 1.929 41 A HA -0.085 4.236 4.320 0.001 0.000 0.216 41 A C 2.185 179.792 177.584 0.038 0.000 1.176 41 A CA 1.409 53.453 52.037 0.010 0.000 0.628 41 A CB -0.363 18.627 19.000 -0.016 0.000 0.816 41 A HN 0.335 nan 8.150 nan 0.000 0.444 42 S N -0.393 115.326 115.700 0.032 0.000 2.383 42 S HA -0.109 4.362 4.470 0.001 0.000 0.227 42 S C 1.988 176.642 174.600 0.089 0.000 1.026 42 S CA 1.583 59.821 58.200 0.064 0.000 0.981 42 S CB -0.367 62.854 63.200 0.035 0.000 0.818 42 S HN 0.575 nan 8.310 nan 0.000 0.472 43 M N 0.941 120.573 119.600 0.053 0.000 2.117 43 M HA -0.092 4.388 4.480 0.001 0.000 0.262 43 M C 2.475 178.802 176.300 0.046 0.000 1.065 43 M CA 1.443 56.767 55.300 0.041 0.000 1.114 43 M CB -0.513 32.100 32.600 0.023 0.000 1.361 43 M HN 0.392 nan 8.290 nan 0.000 0.408 44 A N -0.654 122.200 122.820 0.057 0.000 1.898 44 A HA -0.201 4.120 4.320 0.001 0.000 0.216 44 A C 1.980 179.614 177.584 0.083 0.000 1.181 44 A CA 1.299 53.369 52.037 0.055 0.000 0.620 44 A CB -0.975 18.057 19.000 0.053 0.000 0.819 44 A HN 0.520 nan 8.150 nan 0.000 0.442 45 Y N 0.651 120.942 120.300 -0.015 0.000 2.145 45 Y HA -0.104 4.447 4.550 0.001 0.000 0.286 45 Y C 2.737 178.629 175.900 -0.013 0.000 1.145 45 Y CA 1.020 59.110 58.100 -0.015 0.000 1.148 45 Y CB -0.683 37.767 38.460 -0.017 0.000 0.981 45 Y HN 0.320 nan 8.280 nan 0.000 0.507 46 A N 0.391 123.227 122.820 0.026 0.000 1.892 46 A HA -0.269 4.052 4.320 0.001 0.000 0.218 46 A C 2.265 179.796 177.584 -0.089 0.000 1.188 46 A CA 2.293 54.303 52.037 -0.044 0.000 0.631 46 A CB -0.661 18.347 19.000 0.012 0.000 0.822 46 A HN 0.517 nan 8.150 nan 0.000 0.447 47 K N -0.515 119.852 120.400 -0.055 0.000 2.063 47 K HA -0.111 4.210 4.320 0.001 0.000 0.208 47 K C 2.276 178.821 176.600 -0.091 0.000 1.048 47 K CA 1.237 57.490 56.287 -0.056 0.000 0.928 47 K CB -0.347 32.135 32.500 -0.030 0.000 0.713 47 K HN 0.468 nan 8.250 nan 0.000 0.442 48 A N 1.323 124.065 122.820 -0.130 0.000 1.969 48 A HA -0.076 4.245 4.320 0.001 0.000 0.218 48 A C 2.082 179.532 177.584 -0.224 0.000 1.169 48 A CA 0.986 52.926 52.037 -0.161 0.000 0.635 48 A CB -0.470 18.429 19.000 -0.168 0.000 0.810 48 A HN 0.152 nan 8.150 nan 0.000 0.445 49 L N -0.677 120.355 121.223 -0.317 0.000 2.141 49 L HA -0.154 4.187 4.340 0.001 0.000 0.209 49 L C 2.719 179.497 176.870 -0.152 0.000 1.094 49 L CA 1.477 56.145 54.840 -0.287 0.000 0.763 49 L CB -0.355 41.516 42.059 -0.313 0.000 0.908 49 L HN 0.511 nan 8.230 nan 0.000 0.437 50 E N 0.483 120.613 120.200 -0.118 0.000 2.106 50 E HA -0.199 4.152 4.350 0.001 0.000 0.192 50 E C 1.977 178.538 176.600 -0.065 0.000 0.984 50 E CA 0.938 57.294 56.400 -0.074 0.000 0.806 50 E CB 0.235 29.901 29.700 -0.057 0.000 0.750 50 E HN 0.273 nan 8.360 nan 0.000 0.458 51 K N 0.046 120.403 120.400 -0.072 0.000 2.211 51 K HA -0.032 4.289 4.320 0.001 0.000 0.203 51 K C 1.701 178.268 176.600 -0.056 0.000 1.050 51 K CA 0.887 57.140 56.287 -0.056 0.000 0.945 51 K CB -0.095 32.372 32.500 -0.055 0.000 0.732 51 K HN 0.089 nan 8.250 nan 0.000 0.451 52 A N 0.347 123.123 122.820 -0.073 0.000 2.251 52 A HA 0.102 4.423 4.320 0.001 0.000 0.209 52 A C 0.758 178.311 177.584 -0.052 0.000 1.187 52 A CA 0.540 52.539 52.037 -0.064 0.000 0.823 52 A CB -0.005 18.944 19.000 -0.085 0.000 0.846 52 A HN 0.184 nan 8.150 nan 0.000 0.486 53 S N -1.559 114.111 115.700 -0.050 0.000 3.084 53 S HA -0.164 4.307 4.470 0.001 0.000 0.277 53 S C 0.934 175.510 174.600 -0.039 0.000 1.295 53 S CA 0.897 59.074 58.200 -0.039 0.000 1.170 53 S CB -1.575 61.607 63.200 -0.029 0.000 1.412 53 S HN 0.546 nan 8.310 nan 0.000 0.669 54 I N 0.126 120.665 120.570 -0.052 0.000 2.617 54 I HA 0.133 4.303 4.170 0.001 0.000 0.256 54 I C 0.977 177.070 176.117 -0.040 0.000 1.167 54 I CA 1.353 62.626 61.300 -0.045 0.000 1.469 54 I CB -0.551 37.413 38.000 -0.060 0.000 1.098 54 I HN 0.347 nan 8.210 nan 0.000 0.436 55 L N 0.413 121.607 121.223 -0.047 0.000 2.362 55 L HA 0.317 4.657 4.340 0.001 0.000 0.271 55 L C 0.426 177.277 176.870 -0.031 0.000 1.002 55 L CA -0.556 54.262 54.840 -0.037 0.000 0.818 55 L CB 2.108 44.140 42.059 -0.045 0.000 1.298 55 L HN 0.049 nan 8.230 nan 0.000 0.420 56 T N -2.128 112.413 114.554 -0.023 0.000 2.874 56 T HA 0.224 4.575 4.350 0.001 0.000 0.281 56 T C 0.867 175.556 174.700 -0.019 0.000 0.994 56 T CA -0.708 61.381 62.100 -0.019 0.000 1.015 56 T CB 1.755 70.615 68.868 -0.014 0.000 1.028 56 T HN 0.450 nan 8.240 nan 0.000 0.523 57 K N 0.453 120.843 120.400 -0.017 0.000 2.113 57 K HA -0.078 4.243 4.320 0.001 0.000 0.208 57 K C 2.300 178.893 176.600 -0.012 0.000 1.047 57 K CA 1.877 58.155 56.287 -0.015 0.000 0.928 57 K CB -0.959 31.533 32.500 -0.013 0.000 0.716 57 K HN 0.773 nan 8.250 nan 0.000 0.446 58 T N 0.217 114.765 114.554 -0.011 0.000 2.896 58 T HA -0.040 4.310 4.350 0.001 0.000 0.263 58 T C 1.314 176.010 174.700 -0.008 0.000 1.050 58 T CA 1.158 63.253 62.100 -0.008 0.000 1.140 58 T CB -0.100 68.763 68.868 -0.007 0.000 0.877 58 T HN 0.349 nan 8.240 nan 0.000 0.457 59 E N 0.764 120.958 120.200 -0.009 0.000 2.150 59 E HA -0.049 4.302 4.350 0.001 0.000 0.193 59 E C 2.078 178.673 176.600 -0.008 0.000 0.985 59 E CA 0.564 56.959 56.400 -0.008 0.000 0.814 59 E CB -0.197 29.497 29.700 -0.010 0.000 0.752 59 E HN 0.223 nan 8.360 nan 0.000 0.466 60 L N 1.614 122.830 121.223 -0.013 0.000 2.093 60 L HA -0.154 4.187 4.340 0.001 0.000 0.208 60 L C 1.921 178.787 176.870 -0.008 0.000 1.085 60 L CA 1.721 56.553 54.840 -0.013 0.000 0.755 60 L CB -0.162 41.885 42.059 -0.020 0.000 0.904 60 L HN -0.056 nan 8.230 nan 0.000 0.435 61 E N 0.032 120.228 120.200 -0.007 0.000 2.072 61 E HA -0.172 4.179 4.350 0.001 0.000 0.191 61 E C 2.067 178.666 176.600 -0.002 0.000 0.985 61 E CA 0.925 57.323 56.400 -0.004 0.000 0.801 61 E CB -0.324 29.373 29.700 -0.005 0.000 0.750 61 E HN 0.508 nan 8.360 nan 0.000 0.452 62 K N 0.834 121.233 120.400 -0.002 0.000 2.026 62 K HA -0.056 4.265 4.320 0.001 0.000 0.208 62 K C 2.416 179.018 176.600 0.003 0.000 1.048 62 K CA 0.811 57.098 56.287 0.000 0.000 0.929 62 K CB -0.488 32.012 32.500 0.000 0.000 0.713 62 K HN 0.208 nan 8.250 nan 0.000 0.439 63 I N 0.758 121.330 120.570 0.003 0.000 2.202 63 I HA -0.264 3.907 4.170 0.001 0.000 0.242 63 I C 2.320 178.442 176.117 0.008 0.000 1.091 63 I CA 0.679 61.984 61.300 0.008 0.000 1.368 63 I CB -0.253 37.754 38.000 0.011 0.000 1.058 63 I HN -0.009 nan 8.210 nan 0.000 0.410 64 L N 0.292 121.519 121.223 0.005 0.000 2.046 64 L HA -0.213 4.128 4.340 0.001 0.000 0.208 64 L C 2.762 179.635 176.870 0.005 0.000 1.077 64 L CA 1.753 56.596 54.840 0.006 0.000 0.747 64 L CB -0.816 41.244 42.059 0.002 0.000 0.896 64 L HN 0.186 nan 8.230 nan 0.000 0.432 65 S N -0.858 114.844 115.700 0.003 0.000 2.348 65 S HA -0.154 4.317 4.470 0.001 0.000 0.221 65 S C 2.107 176.709 174.600 0.004 0.000 1.033 65 S CA 1.408 59.610 58.200 0.003 0.000 1.010 65 S CB -0.694 62.508 63.200 0.002 0.000 0.891 65 S HN 0.543 nan 8.310 nan 0.000 0.442 66 G N 1.484 110.287 108.800 0.005 0.000 2.418 66 G HA2 -0.127 3.834 3.960 0.001 0.000 0.217 66 G HA3 -0.127 3.834 3.960 0.001 0.000 0.217 66 G C 1.348 176.252 174.900 0.006 0.000 1.158 66 G CA 0.969 46.072 45.100 0.005 0.000 0.771 66 G HN 0.458 nan 8.290 nan 0.000 0.545 67 L N 0.939 122.167 121.223 0.008 0.000 2.042 67 L HA -0.034 4.307 4.340 0.001 0.000 0.210 67 L C 2.743 179.618 176.870 0.007 0.000 1.076 67 L CA 1.552 56.397 54.840 0.009 0.000 0.749 67 L CB -0.884 41.182 42.059 0.012 0.000 0.893 67 L HN 0.382 nan 8.230 nan 0.000 0.432 68 E N -1.233 118.970 120.200 0.006 0.000 2.204 68 E HA -0.204 4.147 4.350 0.001 0.000 0.194 68 E C 2.038 178.641 176.600 0.004 0.000 0.989 68 E CA 0.439 56.842 56.400 0.005 0.000 0.824 68 E CB 0.025 29.728 29.700 0.004 0.000 0.756 68 E HN 0.233 nan 8.360 nan 0.000 0.477 69 K N 1.090 121.492 120.400 0.004 0.000 2.062 69 K HA -0.033 4.288 4.320 0.001 0.000 0.205 69 K C 1.970 178.573 176.600 0.004 0.000 1.051 69 K CA 0.703 56.992 56.287 0.004 0.000 0.941 69 K CB -0.123 32.379 32.500 0.004 0.000 0.719 69 K HN 0.162 nan 8.250 nan 0.000 0.440 70 I N 0.613 121.186 120.570 0.005 0.000 2.361 70 I HA -0.230 3.941 4.170 0.001 0.000 0.251 70 I C 2.434 178.554 176.117 0.005 0.000 1.133 70 I CA 0.906 62.209 61.300 0.005 0.000 1.413 70 I CB -0.220 37.783 38.000 0.005 0.000 1.073 70 I HN 0.109 nan 8.210 nan 0.000 0.424 71 S N 0.479 116.182 115.700 0.005 0.000 2.406 71 S HA -0.209 4.262 4.470 0.001 0.000 0.228 71 S C 1.944 176.547 174.600 0.005 0.000 1.020 71 S CA 1.480 59.683 58.200 0.005 0.000 0.965 71 S CB -0.073 63.130 63.200 0.005 0.000 0.798 71 S HN 0.395 nan 8.310 nan 0.000 0.488 72 E N 1.256 121.459 120.200 0.004 0.000 2.077 72 E HA -0.122 4.229 4.350 0.001 0.000 0.193 72 E C 1.971 178.574 176.600 0.004 0.000 0.989 72 E CA 1.705 58.107 56.400 0.004 0.000 0.800 72 E CB -0.231 29.471 29.700 0.004 0.000 0.746 72 E HN 0.682 nan 8.360 nan 0.000 0.452 73 E N -0.371 119.832 120.200 0.004 0.000 2.072 73 E HA -0.143 4.207 4.350 0.001 0.000 0.191 73 E C 2.047 178.650 176.600 0.005 0.000 0.985 73 E CA 1.115 57.518 56.400 0.004 0.000 0.801 73 E CB -0.253 29.450 29.700 0.004 0.000 0.750 73 E HN 0.124 nan 8.360 nan 0.000 0.452 74 S N 0.307 116.010 115.700 0.005 0.000 2.500 74 S HA -0.080 4.391 4.470 0.001 0.000 0.239 74 S C 1.732 176.336 174.600 0.006 0.000 0.989 74 S CA 0.734 58.937 58.200 0.006 0.000 0.951 74 S CB -0.069 63.135 63.200 0.006 0.000 0.759 74 S HN 0.055 nan 8.310 nan 0.000 0.523 75 S N 0.263 115.966 115.700 0.006 0.000 2.593 75 S HA 0.225 4.696 4.470 0.001 0.000 0.217 75 S C 0.760 175.364 174.600 0.006 0.000 0.966 75 S CA 0.228 58.432 58.200 0.006 0.000 0.914 75 S CB 0.122 63.325 63.200 0.005 0.000 0.776 75 S HN 0.327 nan 8.310 nan 0.000 0.523 76 K N 0.309 120.712 120.400 0.005 0.000 2.706 76 K HA 0.353 4.673 4.320 0.001 0.000 0.203 76 K C 0.697 177.301 176.600 0.005 0.000 1.102 76 K CA 0.126 56.416 56.287 0.005 0.000 1.058 76 K CB 0.581 33.084 32.500 0.005 0.000 0.779 76 K HN 0.101 nan 8.250 nan 0.000 0.483 77 G N 0.627 109.430 108.800 0.006 0.000 2.321 77 G HA2 -0.292 3.669 3.960 0.001 0.000 0.287 77 G HA3 -0.292 3.669 3.960 0.001 0.000 0.287 77 G C 0.851 175.754 174.900 0.005 0.000 1.018 77 G CA 0.773 45.876 45.100 0.006 0.000 0.855 77 G HN 0.190 nan 8.290 nan 0.000 0.507 78 V N -0.075 119.842 119.914 0.005 0.000 2.300 78 V HA 0.120 4.241 4.120 0.001 0.000 0.241 78 V C 1.847 177.943 176.094 0.004 0.000 1.034 78 V CA 1.101 63.403 62.300 0.004 0.000 1.021 78 V CB -0.570 31.256 31.823 0.004 0.000 0.662 78 V HN 0.592 nan 8.190 nan 0.000 0.458 79 L N 1.978 123.204 121.223 0.004 0.000 2.693 79 L HA 0.035 4.376 4.340 0.001 0.000 0.292 79 L C -0.025 176.848 176.870 0.004 0.000 1.243 79 L CA 0.669 55.511 54.840 0.004 0.000 0.903 79 L CB 0.131 42.192 42.059 0.004 0.000 1.160 79 L HN 0.212 nan 8.230 nan 0.000 0.496 80 V N 3.206 123.122 119.914 0.004 0.000 3.285 80 V HA 0.779 4.899 4.120 0.001 0.000 0.302 80 V C 0.038 176.135 176.094 0.004 0.000 1.247 80 V CA -0.985 61.318 62.300 0.004 0.000 1.035 80 V CB 1.756 33.582 31.823 0.003 0.000 1.223 80 V HN 0.909 nan 8.190 nan 0.000 0.475 81 M N -0.315 119.288 119.600 0.004 0.000 2.853 81 M HA 0.558 5.039 4.480 0.001 0.000 0.273 81 M C -1.110 175.192 176.300 0.004 0.000 1.128 81 M CA -0.088 55.214 55.300 0.004 0.000 0.814 81 M CB 2.339 34.942 32.600 0.005 0.000 1.667 81 M HN 1.075 nan 8.290 nan 0.000 0.519 82 T N -0.593 113.964 114.554 0.004 0.000 2.843 82 T HA 0.528 4.879 4.350 0.001 0.000 0.302 82 T C 0.601 175.303 174.700 0.004 0.000 1.232 82 T CA 0.642 62.744 62.100 0.004 0.000 1.009 82 T CB 1.778 70.648 68.868 0.003 0.000 1.254 82 T HN 0.802 nan 8.240 nan 0.000 0.504 83 Q N 0.840 120.643 119.800 0.004 0.000 2.268 83 Q HA -0.123 4.218 4.340 0.001 0.000 0.210 83 Q C 2.577 178.579 176.000 0.005 0.000 0.988 83 Q CA 3.197 59.003 55.803 0.004 0.000 0.883 83 Q CB -1.418 27.322 28.738 0.003 0.000 0.911 83 Q HN 0.963 nan 8.270 nan 0.000 0.430 84 S N 0.581 116.283 115.700 0.004 0.000 2.370 84 S HA -0.126 4.345 4.470 0.001 0.000 0.226 84 S C 0.559 175.162 174.600 0.004 0.000 1.033 84 S CA 1.125 59.328 58.200 0.004 0.000 1.011 84 S CB -0.251 62.951 63.200 0.003 0.000 0.852 84 S HN 0.674 nan 8.310 nan 0.000 0.457 85 D N 2.892 123.294 120.400 0.004 0.000 2.551 85 D HA 0.073 4.713 4.640 0.001 0.000 0.223 85 D C 1.485 177.789 176.300 0.006 0.000 1.144 85 D CA 0.134 54.137 54.000 0.004 0.000 1.025 85 D CB 0.466 41.269 40.800 0.004 0.000 1.085 85 D HN 0.738 nan 8.370 nan 0.000 0.506 86 E N 1.570 121.775 120.200 0.008 0.000 2.197 86 E HA -0.278 4.072 4.350 0.001 0.000 0.205 86 E C -0.124 176.484 176.600 0.014 0.000 1.029 86 E CA 1.416 57.823 56.400 0.012 0.000 0.828 86 E CB -0.155 29.554 29.700 0.016 0.000 0.737 86 E HN 0.508 nan 8.360 nan 0.000 0.464 87 D N -1.687 118.720 120.400 0.011 0.000 2.626 87 D HA 0.227 4.868 4.640 0.001 0.000 0.278 87 D C 0.497 176.800 176.300 0.006 0.000 1.211 87 D CA -0.728 53.279 54.000 0.012 0.000 0.903 87 D CB 0.180 40.989 40.800 0.015 0.000 1.408 87 D HN -0.058 nan 8.370 nan 0.000 0.454 88 I N -0.128 120.446 120.570 0.006 0.000 2.493 88 I HA -0.170 4.001 4.170 0.001 0.000 0.254 88 I C 1.744 177.859 176.117 -0.003 0.000 1.160 88 I CA 1.678 62.980 61.300 0.003 0.000 1.445 88 I CB -0.413 37.590 38.000 0.005 0.000 1.086 88 I HN 0.372 nan 8.210 nan 0.000 0.433 89 Q N -0.361 119.434 119.800 -0.008 0.000 2.124 89 Q HA -0.148 4.193 4.340 0.001 0.000 0.202 89 Q C 2.209 178.199 176.000 -0.016 0.000 0.977 89 Q CA 2.370 58.162 55.803 -0.019 0.000 0.850 89 Q CB -0.812 27.906 28.738 -0.033 0.000 0.901 89 Q HN 0.429 nan 8.270 nan 0.000 0.429 90 T N 0.170 114.718 114.554 -0.011 0.000 2.857 90 T HA -0.046 4.305 4.350 0.001 0.000 0.266 90 T C 1.785 176.482 174.700 -0.004 0.000 1.048 90 T CA 1.079 63.174 62.100 -0.008 0.000 1.139 90 T CB -0.282 68.584 68.868 -0.004 0.000 0.874 90 T HN 0.394 nan 8.240 nan 0.000 0.455 91 A N 1.401 124.220 122.820 -0.002 0.000 1.929 91 A HA 0.038 4.359 4.320 0.001 0.000 0.216 91 A C 2.165 179.749 177.584 0.000 0.000 1.176 91 A CA 0.807 52.844 52.037 0.000 0.000 0.628 91 A CB -0.475 18.526 19.000 0.002 0.000 0.816 91 A HN 0.359 nan 8.150 nan 0.000 0.444 92 I N 0.272 120.841 120.570 -0.001 0.000 2.252 92 I HA -0.189 3.982 4.170 0.001 0.000 0.245 92 I C 2.292 178.409 176.117 0.000 0.000 1.102 92 I CA 1.427 62.727 61.300 -0.000 0.000 1.385 92 I CB -1.585 36.414 38.000 -0.002 0.000 1.064 92 I HN 0.463 nan 8.210 nan 0.000 0.414 93 E N 0.410 120.608 120.200 -0.002 0.000 2.051 93 E HA -0.245 4.106 4.350 0.001 0.000 0.192 93 E C 2.323 178.924 176.600 0.001 0.000 0.991 93 E CA 1.111 57.510 56.400 -0.001 0.000 0.799 93 E CB -0.190 29.507 29.700 -0.005 0.000 0.748 93 E HN 0.356 nan 8.360 nan 0.000 0.449 94 R N 1.071 121.571 120.500 0.000 0.000 2.083 94 R HA -0.196 4.145 4.340 0.001 0.000 0.237 94 R C 2.377 178.678 176.300 0.002 0.000 1.137 94 R CA 1.618 57.719 56.100 0.001 0.000 0.951 94 R CB -0.071 30.230 30.300 0.001 0.000 0.851 94 R HN -0.088 nan 8.270 nan 0.000 0.434 95 R N 0.919 121.420 120.500 0.003 0.000 2.091 95 R HA -0.049 4.291 4.340 0.001 0.000 0.238 95 R C 2.212 178.514 176.300 0.004 0.000 1.136 95 R CA 1.494 57.596 56.100 0.003 0.000 0.959 95 R CB -0.841 29.461 30.300 0.003 0.000 0.856 95 R HN 0.359 nan 8.270 nan 0.000 0.437 96 L N 0.423 121.649 121.223 0.005 0.000 1.976 96 L HA -0.238 4.102 4.340 0.001 0.000 0.209 96 L C 2.484 179.357 176.870 0.006 0.000 1.071 96 L CA 2.126 56.969 54.840 0.006 0.000 0.746 96 L CB -0.563 41.501 42.059 0.009 0.000 0.890 96 L HN 0.331 nan 8.230 nan 0.000 0.432 97 K N 0.728 121.131 120.400 0.005 0.000 2.015 97 K HA -0.254 4.067 4.320 0.001 0.000 0.216 97 K C 1.450 178.052 176.600 0.004 0.000 1.052 97 K CA 2.223 58.513 56.287 0.005 0.000 0.937 97 K CB -0.256 32.246 32.500 0.004 0.000 0.719 97 K HN 0.492 nan 8.250 nan 0.000 0.446 98 E N 0.576 120.778 120.200 0.003 0.000 2.357 98 E HA -0.101 4.250 4.350 0.001 0.000 0.194 98 E C 0.909 177.510 176.600 0.003 0.000 1.177 98 E CA 0.269 56.670 56.400 0.003 0.000 0.998 98 E CB 0.115 29.816 29.700 0.003 0.000 1.106 98 E HN 0.301 nan 8.360 nan 0.000 0.470 99 L N -0.536 120.689 121.223 0.003 0.000 3.699 99 L HA 0.236 4.577 4.340 0.001 0.000 0.344 99 L C 0.640 177.512 176.870 0.003 0.000 1.196 99 L CA 0.103 54.945 54.840 0.003 0.000 1.202 99 L CB 1.012 43.074 42.059 0.004 0.000 1.592 99 L HN 0.167 nan 8.230 nan 0.000 0.631 100 I N -1.143 119.430 120.570 0.004 0.000 5.061 100 I HA 0.545 4.716 4.170 0.001 0.000 0.336 100 I C 0.953 177.072 176.117 0.003 0.000 1.247 100 I CA 0.905 62.208 61.300 0.004 0.000 1.418 100 I CB 0.287 38.289 38.000 0.005 0.000 1.467 100 I HN 0.147 nan 8.210 nan 0.000 0.510 101 G N 1.866 110.668 108.800 0.004 0.000 2.525 101 G HA2 -0.162 3.799 3.960 0.001 0.000 0.685 101 G HA3 -0.162 3.799 3.960 0.001 0.000 0.685 101 G C 0.008 174.910 174.900 0.004 0.000 1.290 101 G CA -0.125 44.977 45.100 0.003 0.000 0.915 101 G HN 0.063 nan 8.290 nan 0.000 0.548 102 D N -0.291 120.111 120.400 0.004 0.000 2.322 102 D HA -0.135 4.506 4.640 0.001 0.000 0.210 102 D C 2.515 178.818 176.300 0.005 0.000 0.983 102 D CA 0.939 54.941 54.000 0.004 0.000 0.902 102 D CB 0.077 40.879 40.800 0.003 0.000 0.905 102 D HN 0.349 nan 8.370 nan 0.000 0.483 103 I N 1.511 122.083 120.570 0.005 0.000 2.264 103 I HA -0.259 3.911 4.170 0.001 0.000 0.248 103 I C 2.555 178.678 176.117 0.009 0.000 1.111 103 I CA 0.673 61.976 61.300 0.005 0.000 1.382 103 I CB -1.047 36.955 38.000 0.003 0.000 1.060 103 I HN -0.084 nan 8.210 nan 0.000 0.418 104 A N 0.726 123.552 122.820 0.010 0.000 1.986 104 A HA -0.159 4.162 4.320 0.001 0.000 0.220 104 A C 2.419 180.014 177.584 0.018 0.000 1.171 104 A CA 1.788 53.833 52.037 0.014 0.000 0.640 104 A CB -1.272 17.735 19.000 0.011 0.000 0.811 104 A HN 0.460 nan 8.150 nan 0.000 0.451 105 G N -0.720 108.089 108.800 0.014 0.000 2.559 105 G HA2 -0.142 3.819 3.960 0.001 0.000 0.216 105 G HA3 -0.142 3.819 3.960 0.001 0.000 0.216 105 G C 1.468 176.382 174.900 0.024 0.000 1.126 105 G CA 0.760 45.870 45.100 0.016 0.000 0.778 105 G HN 0.457 nan 8.290 nan 0.000 0.543 106 K N -0.129 120.285 120.400 0.023 0.000 2.217 106 K HA 0.062 4.383 4.320 0.001 0.000 0.202 106 K C 2.191 178.821 176.600 0.051 0.000 1.051 106 K CA 0.213 56.516 56.287 0.026 0.000 0.952 106 K CB -0.370 32.138 32.500 0.012 0.000 0.736 106 K HN 0.355 nan 8.250 nan 0.000 0.453 107 L N 2.032 123.293 121.223 0.063 0.000 2.261 107 L HA -0.161 4.179 4.340 0.001 0.000 0.216 107 L C 1.662 178.643 176.870 0.185 0.000 1.114 107 L CA 1.640 56.552 54.840 0.120 0.000 0.777 107 L CB -0.309 41.807 42.059 0.095 0.000 0.910 107 L HN 0.159 nan 8.230 nan 0.000 0.440 108 Q N -1.286 118.577 119.800 0.105 0.000 2.403 108 Q HA 0.061 4.402 4.340 0.001 0.000 0.203 108 Q C 0.147 176.210 176.000 0.106 0.000 0.932 108 Q CA 0.149 55.996 55.803 0.073 0.000 0.945 108 Q CB -0.061 28.689 28.738 0.020 0.000 1.045 108 Q HN 0.398 nan 8.270 nan 0.000 0.511 109 T N 1.138 115.775 114.554 0.139 0.000 2.738 109 T HA 0.113 4.464 4.350 0.001 0.000 0.277 109 T C 1.146 175.952 174.700 0.177 0.000 0.981 109 T CA 0.867 63.036 62.100 0.116 0.000 1.211 109 T CB 0.260 69.171 68.868 0.071 0.000 0.932 109 T HN 0.618 nan 8.240 nan 0.000 0.522 110 G N 3.102 111.965 108.800 0.105 0.000 2.166 110 G HA2 -0.297 3.664 3.960 0.001 0.000 0.260 110 G HA3 -0.297 3.664 3.960 0.001 0.000 0.260 110 G C 0.190 175.142 174.900 0.087 0.000 0.986 110 G CA 0.416 45.578 45.100 0.103 0.000 0.683 110 G HN 0.818 nan 8.290 nan 0.000 0.527 111 R N -0.027 120.484 120.500 0.017 0.000 2.604 111 R HA 0.673 5.014 4.340 0.001 0.000 0.287 111 R C -0.304 175.907 176.300 -0.148 0.000 0.970 111 R CA 0.132 56.121 56.100 -0.186 0.000 0.946 111 R CB 1.365 31.398 30.300 -0.445 0.000 1.127 111 R HN 0.225 nan 8.270 nan 0.000 0.473 112 S N 1.114 116.706 115.700 -0.181 0.000 2.568 112 S HA 0.282 4.753 4.470 0.001 0.000 0.293 112 S C 0.619 175.098 174.600 -0.202 0.000 1.089 112 S CA -0.775 57.324 58.200 -0.168 0.000 0.945 112 S CB 1.901 65.005 63.200 -0.161 0.000 1.077 112 S HN 0.776 nan 8.310 nan 0.000 0.485 113 R N 2.545 122.918 120.500 -0.211 0.000 2.092 113 R HA 0.016 4.357 4.340 0.001 0.000 0.231 113 R C 1.785 177.903 176.300 -0.303 0.000 1.119 113 R CA 2.259 58.229 56.100 -0.217 0.000 0.970 113 R CB -0.530 29.654 30.300 -0.193 0.000 0.864 113 R HN 0.824 nan 8.270 nan 0.000 0.440 114 N N 0.105 118.519 118.700 -0.477 0.000 2.091 114 N HA -0.262 4.479 4.740 0.001 0.000 0.193 114 N C 1.417 176.777 175.510 -0.249 0.000 1.021 114 N CA 1.777 54.458 53.050 -0.615 0.000 0.862 114 N CB -0.143 37.984 38.487 -0.600 0.000 1.018 114 N HN 0.562 nan 8.380 nan 0.000 0.429 115 E N 0.943 121.031 120.200 -0.187 0.000 2.250 115 E HA -0.095 4.256 4.350 0.001 0.000 0.192 115 E C 1.720 178.256 176.600 -0.107 0.000 0.986 115 E CA 0.388 56.719 56.400 -0.115 0.000 0.849 115 E CB -0.121 29.507 29.700 -0.119 0.000 0.797 115 E HN 0.402 nan 8.360 nan 0.000 0.482 116 Q N 0.878 120.597 119.800 -0.134 0.000 2.046 116 Q HA -0.107 4.234 4.340 0.001 0.000 0.200 116 Q C 2.450 178.416 176.000 -0.056 0.000 0.975 116 Q CA 1.623 57.361 55.803 -0.109 0.000 0.836 116 Q CB -0.076 28.590 28.738 -0.121 0.000 0.896 116 Q HN 0.256 nan 8.270 nan 0.000 0.428 117 V N 0.093 119.985 119.914 -0.038 0.000 2.295 117 V HA -0.186 3.935 4.120 0.001 0.000 0.246 117 V C 2.054 178.185 176.094 0.063 0.000 1.049 117 V CA 1.884 64.198 62.300 0.023 0.000 1.024 117 V CB -0.135 31.725 31.823 0.062 0.000 0.648 117 V HN 0.332 nan 8.190 nan 0.000 0.447 118 V N -0.433 119.524 119.914 0.072 0.000 2.809 118 V HA -0.162 3.959 4.120 0.001 0.000 0.256 118 V C 2.385 178.488 176.094 0.014 0.000 1.080 118 V CA 2.731 65.104 62.300 0.122 0.000 1.102 118 V CB -0.371 31.538 31.823 0.143 0.000 0.705 118 V HN 0.753 nan 8.190 nan 0.000 0.475 119 T N -0.159 114.380 114.554 -0.026 0.000 2.809 119 T HA -0.087 4.264 4.350 0.001 0.000 0.260 119 T C 1.554 176.221 174.700 -0.055 0.000 1.039 119 T CA 1.460 63.521 62.100 -0.064 0.000 1.141 119 T CB -0.298 68.531 68.868 -0.066 0.000 0.869 119 T HN 0.515 nan 8.240 nan 0.000 0.437 120 D N 1.293 121.678 120.400 -0.026 0.000 2.104 120 D HA -0.040 4.601 4.640 0.001 0.000 0.194 120 D C 2.119 178.422 176.300 0.005 0.000 0.994 120 D CA 0.678 54.671 54.000 -0.011 0.000 0.830 120 D CB -0.508 40.292 40.800 -0.000 0.000 0.959 120 D HN 0.223 nan 8.370 nan 0.000 0.452 121 L N 0.505 121.753 121.223 0.041 0.000 2.012 121 L HA -0.221 4.120 4.340 0.001 0.000 0.210 121 L C 2.320 179.217 176.870 0.045 0.000 1.073 121 L CA 1.442 56.340 54.840 0.097 0.000 0.748 121 L CB -0.106 42.088 42.059 0.226 0.000 0.891 121 L HN 0.020 nan 8.230 nan 0.000 0.431 122 K N -0.786 119.549 120.400 -0.109 0.000 2.097 122 K HA -0.210 4.110 4.320 0.001 0.000 0.206 122 K C 1.943 178.469 176.600 -0.124 0.000 1.049 122 K CA 1.014 57.140 56.287 -0.269 0.000 0.933 122 K CB -0.089 32.130 32.500 -0.468 0.000 0.717 122 K HN 0.111 nan 8.250 nan 0.000 0.442 123 L N 0.733 121.908 121.223 -0.080 0.000 2.046 123 L HA -0.154 4.187 4.340 0.001 0.000 0.208 123 L C 2.122 178.980 176.870 -0.020 0.000 1.077 123 L CA 1.265 56.078 54.840 -0.047 0.000 0.747 123 L CB -0.693 41.346 42.059 -0.034 0.000 0.896 123 L HN 0.142 nan 8.230 nan 0.000 0.432 124 L N -1.005 120.216 121.223 -0.002 0.000 1.994 124 L HA -0.181 4.160 4.340 0.001 0.000 0.208 124 L C 2.329 179.213 176.870 0.023 0.000 1.071 124 L CA 1.698 56.547 54.840 0.016 0.000 0.745 124 L CB -0.549 41.529 42.059 0.031 0.000 0.892 124 L HN 0.161 nan 8.230 nan 0.000 0.431 125 L N -0.314 120.931 121.223 0.038 0.000 2.127 125 L HA -0.263 4.078 4.340 0.001 0.000 0.211 125 L C 2.624 179.510 176.870 0.027 0.000 1.089 125 L CA 1.603 56.474 54.840 0.052 0.000 0.757 125 L CB -0.771 41.351 42.059 0.105 0.000 0.899 125 L HN 0.411 nan 8.230 nan 0.000 0.434 126 K N 0.621 121.022 120.400 0.001 0.000 2.074 126 K HA -0.233 4.088 4.320 0.001 0.000 0.209 126 K C 2.247 178.846 176.600 -0.001 0.000 1.048 126 K CA 2.110 58.392 56.287 -0.009 0.000 0.926 126 K CB -0.040 32.444 32.500 -0.026 0.000 0.713 126 K HN 0.397 nan 8.250 nan 0.000 0.444 127 S N -0.585 115.116 115.700 0.002 0.000 2.446 127 S HA 0.009 4.480 4.470 0.001 0.000 0.225 127 S C 1.969 176.574 174.600 0.010 0.000 1.016 127 S CA 0.913 59.115 58.200 0.002 0.000 0.943 127 S CB 0.187 63.389 63.200 0.003 0.000 0.786 127 S HN 0.223 nan 8.310 nan 0.000 0.508 128 S N 2.139 117.851 115.700 0.020 0.000 2.368 128 S HA 0.143 4.614 4.470 0.001 0.000 0.224 128 S C 1.738 176.355 174.600 0.029 0.000 1.029 128 S CA 1.156 59.374 58.200 0.031 0.000 0.988 128 S CB -0.485 62.740 63.200 0.041 0.000 0.838 128 S HN 0.497 nan 8.310 nan 0.000 0.462 129 I N 1.511 122.097 120.570 0.026 0.000 2.286 129 I HA -0.172 3.999 4.170 0.001 0.000 0.248 129 I C 2.268 178.390 176.117 0.008 0.000 1.115 129 I CA 0.943 62.257 61.300 0.023 0.000 1.392 129 I CB -0.479 37.535 38.000 0.023 0.000 1.065 129 I HN 0.237 nan 8.210 nan 0.000 0.418 130 S N 0.439 116.137 115.700 -0.003 0.000 2.382 130 S HA -0.121 4.350 4.470 0.001 0.000 0.228 130 S C 2.074 176.646 174.600 -0.048 0.000 1.027 130 S CA 1.095 59.282 58.200 -0.022 0.000 0.991 130 S CB -0.263 62.923 63.200 -0.023 0.000 0.823 130 S HN 0.240 nan 8.310 nan 0.000 0.469 131 V N 2.119 122.012 119.914 -0.036 0.000 2.307 131 V HA -0.130 3.990 4.120 0.001 0.000 0.245 131 V C 2.080 178.148 176.094 -0.044 0.000 1.045 131 V CA 1.432 63.692 62.300 -0.067 0.000 1.024 131 V CB -0.687 31.146 31.823 0.016 0.000 0.651 131 V HN 0.444 nan 8.190 nan 0.000 0.449 132 I N 0.179 120.773 120.570 0.041 0.000 2.179 132 I HA -0.257 3.914 4.170 0.001 0.000 0.242 132 I C 2.771 178.915 176.117 0.046 0.000 1.088 132 I CA 1.888 63.239 61.300 0.085 0.000 1.357 132 I CB -0.579 37.460 38.000 0.064 0.000 1.051 132 I HN 0.345 nan 8.210 nan 0.000 0.409 133 S N 0.305 116.009 115.700 0.006 0.000 2.365 133 S HA -0.231 4.240 4.470 0.001 0.000 0.225 133 S C 2.092 176.674 174.600 -0.030 0.000 1.039 133 S CA 2.440 60.638 58.200 -0.004 0.000 1.033 133 S CB -0.424 62.769 63.200 -0.011 0.000 0.887 133 S HN 0.442 nan 8.310 nan 0.000 0.447 134 T N 0.629 115.123 114.554 -0.098 0.000 2.720 134 T HA -0.107 4.244 4.350 0.001 0.000 0.268 134 T C 1.432 176.059 174.700 -0.123 0.000 1.037 134 T CA 1.954 63.962 62.100 -0.154 0.000 1.144 134 T CB -0.541 68.160 68.868 -0.278 0.000 0.864 134 T HN 0.688 nan 8.240 nan 0.000 0.444 135 H N 0.033 119.108 119.070 0.008 0.000 2.428 135 H HA 0.190 4.747 4.556 0.001 0.000 0.296 135 H C 2.304 177.634 175.328 0.004 0.000 1.062 135 H CA 0.550 56.603 56.048 0.007 0.000 1.350 135 H CB -0.035 29.733 29.762 0.010 0.000 1.403 135 H HN 0.134 nan 8.280 nan 0.000 0.533 136 L N 0.571 121.861 121.223 0.112 0.000 2.017 136 L HA -0.200 4.141 4.340 0.001 0.000 0.208 136 L C 1.869 178.762 176.870 0.039 0.000 1.073 136 L CA 1.333 56.211 54.840 0.064 0.000 0.745 136 L CB -0.231 41.855 42.059 0.046 0.000 0.894 136 L HN 0.350 nan 8.230 nan 0.000 0.432 137 L N -0.838 120.401 121.223 0.026 0.000 2.131 137 L HA -0.260 4.081 4.340 0.001 0.000 0.210 137 L C 2.642 179.522 176.870 0.018 0.000 1.092 137 L CA 1.168 56.016 54.840 0.013 0.000 0.759 137 L CB -0.532 41.528 42.059 0.001 0.000 0.903 137 L HN 0.405 nan 8.230 nan 0.000 0.435 138 Q N -0.197 119.624 119.800 0.035 0.000 2.084 138 Q HA -0.214 4.127 4.340 0.001 0.000 0.202 138 Q C 2.402 178.418 176.000 0.028 0.000 0.978 138 Q CA 1.291 57.118 55.803 0.041 0.000 0.844 138 Q CB -0.090 28.695 28.738 0.079 0.000 0.898 138 Q HN 0.521 nan 8.270 nan 0.000 0.426 139 L N 0.622 121.861 121.223 0.027 0.000 1.994 139 L HA -0.224 4.117 4.340 0.001 0.000 0.208 139 L C 2.241 179.104 176.870 -0.012 0.000 1.071 139 L CA 1.370 56.211 54.840 0.002 0.000 0.745 139 L CB -0.281 41.778 42.059 -0.001 0.000 0.892 139 L HN 0.298 nan 8.230 nan 0.000 0.431 140 I N -0.114 120.451 120.570 -0.008 0.000 2.208 140 I HA -0.369 3.802 4.170 0.001 0.000 0.245 140 I C 2.627 178.733 176.117 -0.018 0.000 1.097 140 I CA 1.471 62.759 61.300 -0.020 0.000 1.363 140 I CB -0.430 37.561 38.000 -0.015 0.000 1.051 140 I HN 0.318 nan 8.210 nan 0.000 0.413 141 K N 0.787 121.183 120.400 -0.006 0.000 2.057 141 K HA -0.166 4.155 4.320 0.001 0.000 0.207 141 K C 2.054 178.654 176.600 -0.000 0.000 1.049 141 K CA 1.848 58.134 56.287 -0.002 0.000 0.931 141 K CB -0.068 32.436 32.500 0.006 0.000 0.714 141 K HN 0.214 nan 8.250 nan 0.000 0.440 142 T N 1.692 116.246 114.554 0.001 0.000 2.788 142 T HA -0.097 4.254 4.350 0.001 0.000 0.268 142 T C 1.751 176.450 174.700 -0.003 0.000 1.044 142 T CA 1.218 63.321 62.100 0.005 0.000 1.139 142 T CB -0.067 68.803 68.868 0.004 0.000 0.867 142 T HN 0.158 nan 8.240 nan 0.000 0.454 143 L N 1.151 122.360 121.223 -0.024 0.000 2.072 143 L HA -0.053 4.288 4.340 0.001 0.000 0.205 143 L C 2.817 179.659 176.870 -0.046 0.000 1.079 143 L CA 0.889 55.700 54.840 -0.049 0.000 0.752 143 L CB -0.726 41.286 42.059 -0.079 0.000 0.906 143 L HN 0.239 nan 8.230 nan 0.000 0.436 144 V N -2.969 116.924 119.914 -0.035 0.000 2.323 144 V HA -0.138 3.983 4.120 0.001 0.000 0.244 144 V C 2.328 178.417 176.094 -0.008 0.000 1.041 144 V CA 1.282 63.565 62.300 -0.029 0.000 1.025 144 V CB -0.590 31.218 31.823 -0.024 0.000 0.656 144 V HN 0.322 nan 8.190 nan 0.000 0.451 145 E N 0.864 121.066 120.200 0.004 0.000 2.110 145 E HA -0.229 4.122 4.350 0.001 0.000 0.193 145 E C 2.294 178.914 176.600 0.034 0.000 0.988 145 E CA 1.974 58.385 56.400 0.018 0.000 0.804 145 E CB -0.428 29.285 29.700 0.021 0.000 0.745 145 E HN 0.753 nan 8.360 nan 0.000 0.458 146 R N 0.699 121.223 120.500 0.039 0.000 2.075 146 R HA -0.044 4.297 4.340 0.001 0.000 0.232 146 R C 2.235 178.587 176.300 0.086 0.000 1.126 146 R CA 1.361 57.508 56.100 0.077 0.000 0.963 146 R CB -0.229 30.129 30.300 0.097 0.000 0.858 146 R HN 0.132 nan 8.270 nan 0.000 0.435 147 A N 0.667 123.505 122.820 0.029 0.000 1.940 147 A HA -0.130 4.191 4.320 0.001 0.000 0.219 147 A C 2.356 179.967 177.584 0.045 0.000 1.176 147 A CA 1.762 53.804 52.037 0.009 0.000 0.631 147 A CB -0.879 18.090 19.000 -0.052 0.000 0.814 147 A HN 0.548 nan 8.150 nan 0.000 0.446 148 A N -0.373 122.468 122.820 0.036 0.000 1.969 148 A HA -0.011 4.310 4.320 0.001 0.000 0.218 148 A C 2.095 179.712 177.584 0.054 0.000 1.169 148 A CA 1.424 53.484 52.037 0.038 0.000 0.635 148 A CB -0.493 18.523 19.000 0.027 0.000 0.810 148 A HN 0.509 nan 8.150 nan 0.000 0.445 149 I N -0.586 120.025 120.570 0.068 0.000 2.333 149 I HA -0.151 4.019 4.170 0.001 0.000 0.246 149 I C 1.337 177.510 176.117 0.093 0.000 1.106 149 I CA 1.113 62.457 61.300 0.073 0.000 1.411 149 I CB -0.202 37.843 38.000 0.075 0.000 1.082 149 I HN 0.364 nan 8.210 nan 0.000 0.420 150 E N 0.731 121.015 120.200 0.140 0.000 2.423 150 E HA 0.105 4.456 4.350 0.001 0.000 0.198 150 E C 1.593 178.307 176.600 0.191 0.000 1.038 150 E CA -0.134 56.376 56.400 0.184 0.000 1.011 150 E CB 0.285 30.172 29.700 0.311 0.000 1.118 150 E HN 0.456 nan 8.360 nan 0.000 0.451 151 I N 1.151 121.795 120.570 0.124 0.000 2.657 151 I HA -0.236 3.935 4.170 0.001 0.000 0.261 151 I C 0.823 176.995 176.117 0.091 0.000 1.212 151 I CA 1.238 62.597 61.300 0.100 0.000 1.453 151 I CB 0.302 38.340 38.000 0.064 0.000 1.092 151 I HN 0.057 nan 8.210 nan 0.000 0.452 152 D N 0.458 120.908 120.400 0.082 0.000 2.360 152 D HA 0.132 4.773 4.640 0.001 0.000 0.210 152 D C 0.420 176.753 176.300 0.055 0.000 1.047 152 D CA 0.143 54.179 54.000 0.059 0.000 0.854 152 D CB 0.326 41.151 40.800 0.040 0.000 0.936 152 D HN 0.216 nan 8.370 nan 0.000 0.514 153 I N 1.684 122.302 120.570 0.080 0.000 2.556 153 I HA 0.057 4.228 4.170 0.001 0.000 0.284 153 I C 0.511 176.662 176.117 0.057 0.000 1.114 153 I CA -0.034 61.290 61.300 0.041 0.000 1.418 153 I CB 0.537 38.540 38.000 0.005 0.000 1.394 153 I HN -0.203 nan 8.210 nan 0.000 0.552 154 I N 7.514 128.081 120.570 -0.006 0.000 2.474 154 I HA 0.555 4.726 4.170 0.001 0.000 0.294 154 I C 0.009 176.071 176.117 -0.091 0.000 1.005 154 I CA -0.642 60.650 61.300 -0.013 0.000 1.113 154 I CB 1.449 39.444 38.000 -0.008 0.000 1.289 154 I HN 0.622 nan 8.210 nan 0.000 0.436 155 M N 5.681 125.218 119.600 -0.105 0.000 2.779 155 M HA 0.716 5.197 4.480 0.001 0.000 0.277 155 M C -3.017 173.179 176.300 -0.175 0.000 1.284 155 M CA -2.041 53.113 55.300 -0.243 0.000 0.801 155 M CB 2.206 34.562 32.600 -0.408 0.000 1.712 155 M HN -0.011 nan 8.290 nan 0.000 0.453 156 P HA 0.356 nan 4.420 nan 0.000 0.279 156 P C -0.577 176.659 177.300 -0.106 0.000 1.239 156 P CA 0.020 63.012 63.100 -0.180 0.000 0.789 156 P CB 0.935 32.505 31.700 -0.217 0.000 0.933 157 G N 1.867 110.595 108.800 -0.121 0.000 2.389 157 G HA2 0.540 4.501 3.960 0.001 0.000 0.317 157 G HA3 0.540 4.501 3.960 0.001 0.000 0.317 157 G C -1.582 173.290 174.900 -0.047 0.000 1.137 157 G CA -0.155 44.965 45.100 0.034 0.000 0.870 157 G HN 0.318 nan 8.290 nan 0.000 0.496 158 Y N -0.453 119.941 120.300 0.156 0.000 2.536 158 Y HA 0.678 5.229 4.550 0.001 0.000 0.347 158 Y C 0.554 176.530 175.900 0.126 0.000 1.000 158 Y CA -0.748 57.455 58.100 0.172 0.000 1.051 158 Y CB 2.889 41.500 38.460 0.253 0.000 1.259 158 Y HN 0.691 nan 8.280 nan 0.000 0.468 159 T N -1.611 113.119 114.554 0.294 0.000 2.971 159 T HA 0.313 4.664 4.350 0.001 0.000 0.304 159 T C -0.803 174.053 174.700 0.261 0.000 1.038 159 T CA -0.845 61.361 62.100 0.177 0.000 1.007 159 T CB 0.970 69.948 68.868 0.183 0.000 1.055 159 T HN 0.896 nan 8.240 nan 0.000 0.451 160 H N 2.107 121.259 119.070 0.136 0.000 2.776 160 H HA -0.145 4.412 4.556 0.001 0.000 0.300 160 H C 0.858 176.282 175.328 0.160 0.000 1.161 160 H CA 0.761 56.879 56.048 0.118 0.000 1.147 160 H CB -1.161 28.659 29.762 0.097 0.000 1.366 160 H HN 0.854 nan 8.280 nan 0.000 0.397 161 L N -1.500 119.887 121.223 0.274 0.000 3.843 161 L HA -0.291 4.050 4.340 0.001 0.000 0.411 161 L C -0.074 177.090 176.870 0.490 0.000 1.205 161 L CA 1.206 56.231 54.840 0.309 0.000 0.945 161 L CB -0.461 41.703 42.059 0.175 0.000 1.929 161 L HN 0.367 nan 8.230 nan 0.000 0.934 162 Q N 0.276 120.389 119.800 0.522 0.000 2.356 162 Q HA 0.399 4.740 4.340 0.001 0.000 0.270 162 Q C -0.204 175.925 176.000 0.215 0.000 1.058 162 Q CA -0.686 55.343 55.803 0.376 0.000 0.802 162 Q CB 2.198 31.070 28.738 0.223 0.000 1.303 162 Q HN 0.143 nan 8.270 nan 0.000 0.444 163 K N 0.855 121.224 120.400 -0.051 0.000 2.451 163 K HA 0.207 4.527 4.320 0.001 0.000 0.280 163 K C 0.342 176.857 176.600 -0.142 0.000 1.020 163 K CA 0.337 56.395 56.287 -0.381 0.000 1.008 163 K CB 0.669 32.975 32.500 -0.325 0.000 0.917 163 K HN 0.702 nan 8.250 nan 0.000 0.478 164 A N 3.604 126.338 122.820 -0.143 0.000 1.995 164 A HA 0.218 4.539 4.320 0.001 0.000 0.200 164 A C -0.210 177.353 177.584 -0.036 0.000 1.566 164 A CA 0.353 52.369 52.037 -0.036 0.000 0.895 164 A CB 0.185 19.196 19.000 0.017 0.000 1.046 164 A HN 0.547 nan 8.150 nan 0.000 0.523 165 L N -5.212 115.974 121.223 -0.062 0.000 2.775 165 L HA 0.666 5.007 4.340 0.001 0.000 0.263 165 L C -3.433 173.407 176.870 -0.051 0.000 1.017 165 L CA -2.177 52.643 54.840 -0.033 0.000 0.891 165 L CB 0.254 42.318 42.059 0.008 0.000 1.482 165 L HN -0.221 nan 8.230 nan 0.000 0.410 166 P HA 0.559 nan 4.420 nan 0.000 0.271 166 P C -0.931 176.354 177.300 -0.024 0.000 1.216 166 P CA 0.260 63.347 63.100 -0.023 0.000 0.776 166 P CB 0.758 32.463 31.700 0.009 0.000 0.881 167 I N 1.221 121.778 120.570 -0.022 0.000 2.918 167 I HA 0.329 4.500 4.170 0.001 0.000 0.301 167 I C -0.536 175.600 176.117 0.031 0.000 1.312 167 I CA -1.186 60.108 61.300 -0.011 0.000 1.007 167 I CB 2.170 40.166 38.000 -0.008 0.000 1.281 167 I HN 0.132 nan 8.210 nan 0.000 0.440 168 R N 4.702 125.233 120.500 0.052 0.000 2.340 168 R HA 0.071 4.412 4.340 0.001 0.000 0.300 168 R C 0.787 177.188 176.300 0.169 0.000 1.069 168 R CA -0.231 55.928 56.100 0.099 0.000 0.984 168 R CB 0.817 31.165 30.300 0.081 0.000 1.003 168 R HN 0.747 nan 8.270 nan 0.000 0.459 169 W N 3.733 125.038 121.300 0.008 0.000 2.342 169 W HA -0.215 4.447 4.660 0.002 0.000 0.297 169 W C 0.514 177.129 176.519 0.161 0.000 1.213 169 W CA 1.572 58.949 57.345 0.054 0.000 1.251 169 W CB -0.046 29.404 29.460 -0.016 0.000 1.136 169 W HN 0.483 nan 8.180 nan 0.000 0.526 170 S N 0.879 116.587 115.700 0.014 0.000 2.399 170 S HA -0.295 4.176 4.470 0.001 0.000 0.231 170 S C 1.600 176.136 174.600 -0.105 0.000 1.022 170 S CA 1.899 60.025 58.200 -0.124 0.000 0.983 170 S CB -0.491 62.713 63.200 0.008 0.000 0.803 170 S HN 0.356 nan 8.310 nan 0.000 0.480 171 Q N 0.741 120.530 119.800 -0.018 0.000 2.124 171 Q HA -0.087 4.254 4.340 0.001 0.000 0.202 171 Q C 1.708 177.687 176.000 -0.035 0.000 0.977 171 Q CA 1.431 57.221 55.803 -0.022 0.000 0.850 171 Q CB -0.485 28.258 28.738 0.008 0.000 0.901 171 Q HN 0.551 nan 8.270 nan 0.000 0.429 172 F N -0.131 119.734 119.950 -0.143 0.000 2.113 172 F HA -0.100 4.428 4.527 0.002 0.000 0.297 172 F C 1.493 177.189 175.800 -0.173 0.000 1.103 172 F CA 1.346 59.269 58.000 -0.128 0.000 1.248 172 F CB -0.249 38.715 39.000 -0.059 0.000 0.999 172 F HN 0.104 nan 8.300 nan 0.000 0.475 173 L N -0.035 120.942 121.223 -0.410 0.000 2.046 173 L HA -0.241 4.100 4.340 0.001 0.000 0.208 173 L C 2.476 179.168 176.870 -0.297 0.000 1.077 173 L CA 1.241 55.815 54.840 -0.442 0.000 0.747 173 L CB -0.818 40.977 42.059 -0.439 0.000 0.896 173 L HN 0.242 nan 8.230 nan 0.000 0.432 174 L N -0.458 120.624 121.223 -0.235 0.000 2.201 174 L HA -0.153 4.188 4.340 0.001 0.000 0.212 174 L C 2.867 179.609 176.870 -0.214 0.000 1.105 174 L CA 1.184 55.918 54.840 -0.177 0.000 0.775 174 L CB -0.557 41.429 42.059 -0.122 0.000 0.913 174 L HN 0.400 nan 8.230 nan 0.000 0.440 175 S N -1.099 114.421 115.700 -0.301 0.000 2.382 175 S HA -0.237 4.234 4.470 0.001 0.000 0.228 175 S C 1.749 176.079 174.600 -0.449 0.000 1.027 175 S CA 1.253 59.233 58.200 -0.366 0.000 0.991 175 S CB -0.545 62.394 63.200 -0.435 0.000 0.823 175 S HN 0.503 nan 8.310 nan 0.000 0.469 176 H N 1.611 120.446 119.070 -0.391 0.000 2.395 176 H HA 0.355 4.912 4.556 0.001 0.000 0.299 176 H C 2.567 177.735 175.328 -0.267 0.000 1.070 176 H CA 1.183 57.017 56.048 -0.357 0.000 1.356 176 H CB -0.432 29.092 29.762 -0.397 0.000 1.401 176 H HN 0.572 nan 8.280 nan 0.000 0.524 177 A N 0.741 123.491 122.820 -0.116 0.000 1.902 177 A HA -0.168 4.153 4.320 0.001 0.000 0.217 177 A C 2.509 180.031 177.584 -0.103 0.000 1.181 177 A CA 1.888 53.867 52.037 -0.097 0.000 0.623 177 A CB -1.029 17.916 19.000 -0.092 0.000 0.818 177 A HN 0.368 nan 8.150 nan 0.000 0.443 178 V N -2.635 117.201 119.914 -0.131 0.000 2.515 178 V HA 0.022 4.143 4.120 0.001 0.000 0.250 178 V C 2.433 178.447 176.094 -0.134 0.000 1.058 178 V CA 1.744 63.975 62.300 -0.115 0.000 1.064 178 V CB -1.287 30.467 31.823 -0.115 0.000 0.675 178 V HN 0.497 nan 8.190 nan 0.000 0.461 179 A N 0.898 123.587 122.820 -0.219 0.000 1.898 179 A HA 0.042 4.362 4.320 0.001 0.000 0.216 179 A C 2.201 179.673 177.584 -0.187 0.000 1.181 179 A CA 1.942 53.781 52.037 -0.331 0.000 0.620 179 A CB -0.684 17.897 19.000 -0.699 0.000 0.819 179 A HN 0.575 nan 8.150 nan 0.000 0.442 180 L N 0.271 121.420 121.223 -0.123 0.000 2.191 180 L HA -0.141 4.199 4.340 0.001 0.000 0.212 180 L C 2.844 179.721 176.870 0.013 0.000 1.103 180 L CA 1.608 56.448 54.840 0.001 0.000 0.769 180 L CB -0.740 41.314 42.059 -0.008 0.000 0.908 180 L HN 0.665 nan 8.230 nan 0.000 0.438 181 T N -3.328 111.216 114.554 -0.018 0.000 2.951 181 T HA -0.118 4.233 4.350 0.001 0.000 0.268 181 T C 1.982 176.687 174.700 0.008 0.000 1.073 181 T CA 0.471 62.567 62.100 -0.007 0.000 1.134 181 T CB -0.149 68.706 68.868 -0.022 0.000 0.884 181 T HN 0.264 nan 8.240 nan 0.000 0.479 182 R N 1.042 121.552 120.500 0.016 0.000 2.115 182 R HA -0.012 4.329 4.340 0.001 0.000 0.226 182 R C 2.076 178.410 176.300 0.057 0.000 1.100 182 R CA 1.422 57.544 56.100 0.036 0.000 0.980 182 R CB -0.227 30.104 30.300 0.051 0.000 0.875 182 R HN 0.483 nan 8.270 nan 0.000 0.445 183 D N -0.028 120.424 120.400 0.087 0.000 2.097 183 D HA -0.137 4.504 4.640 0.001 0.000 0.197 183 D C 1.813 178.139 176.300 0.044 0.000 0.984 183 D CA 1.232 55.278 54.000 0.075 0.000 0.826 183 D CB -0.320 40.545 40.800 0.109 0.000 0.973 183 D HN 0.022 nan 8.370 nan 0.000 0.460 184 S N 0.412 116.134 115.700 0.037 0.000 2.370 184 S HA -0.237 4.234 4.470 0.001 0.000 0.226 184 S C 1.856 176.467 174.600 0.019 0.000 1.033 184 S CA 1.690 59.904 58.200 0.024 0.000 1.011 184 S CB -0.132 63.078 63.200 0.016 0.000 0.852 184 S HN 0.271 nan 8.310 nan 0.000 0.457 185 E N 0.117 120.328 120.200 0.018 0.000 2.110 185 E HA -0.152 4.199 4.350 0.001 0.000 0.193 185 E C 2.376 178.986 176.600 0.016 0.000 0.988 185 E CA 0.862 57.270 56.400 0.014 0.000 0.804 185 E CB -0.058 29.649 29.700 0.012 0.000 0.745 185 E HN 0.487 nan 8.360 nan 0.000 0.458 186 R N 0.038 120.550 120.500 0.020 0.000 2.092 186 R HA -0.044 4.297 4.340 0.001 0.000 0.231 186 R C 2.576 178.889 176.300 0.020 0.000 1.119 186 R CA 0.784 56.895 56.100 0.019 0.000 0.970 186 R CB -0.193 30.118 30.300 0.019 0.000 0.864 186 R HN 0.276 nan 8.270 nan 0.000 0.440 187 L N -0.286 120.950 121.223 0.022 0.000 2.083 187 L HA -0.126 4.214 4.340 0.001 0.000 0.209 187 L C 2.416 179.298 176.870 0.020 0.000 1.083 187 L CA 1.418 56.272 54.840 0.023 0.000 0.752 187 L CB -0.634 41.439 42.059 0.023 0.000 0.899 187 L HN 0.380 nan 8.230 nan 0.000 0.433 188 G N -0.779 108.031 108.800 0.016 0.000 2.422 188 G HA2 -0.226 3.735 3.960 0.001 0.000 0.218 188 G HA3 -0.226 3.735 3.960 0.001 0.000 0.218 188 G C 1.392 176.300 174.900 0.013 0.000 1.140 188 G CA 0.446 45.553 45.100 0.012 0.000 0.775 188 G HN 0.414 nan 8.290 nan 0.000 0.545 189 E N -0.205 120.005 120.200 0.016 0.000 2.107 189 E HA -0.016 4.335 4.350 0.001 0.000 0.191 189 E C 2.673 179.287 176.600 0.023 0.000 0.982 189 E CA 0.492 56.902 56.400 0.017 0.000 0.809 189 E CB 0.029 29.739 29.700 0.016 0.000 0.756 189 E HN 0.291 nan 8.360 nan 0.000 0.459 190 V N 1.506 121.438 119.914 0.029 0.000 2.358 190 V HA -0.252 3.869 4.120 0.001 0.000 0.246 190 V C 2.271 178.389 176.094 0.041 0.000 1.047 190 V CA 1.699 64.025 62.300 0.043 0.000 1.035 190 V CB -0.369 31.483 31.823 0.049 0.000 0.658 190 V HN 0.132 nan 8.190 nan 0.000 0.452 191 K N 1.925 122.342 120.400 0.028 0.000 2.052 191 K HA -0.278 4.043 4.320 0.001 0.000 0.215 191 K C 2.085 178.689 176.600 0.007 0.000 1.053 191 K CA 2.438 58.735 56.287 0.017 0.000 0.934 191 K CB -0.529 31.977 32.500 0.010 0.000 0.717 191 K HN 0.642 nan 8.250 nan 0.000 0.450 192 K N -0.403 120.002 120.400 0.008 0.000 2.280 192 K HA -0.128 4.192 4.320 0.001 0.000 0.202 192 K C 1.920 178.520 176.600 0.000 0.000 1.047 192 K CA 1.371 57.659 56.287 0.001 0.000 0.942 192 K CB -0.118 32.385 32.500 0.004 0.000 0.739 192 K HN 0.080 nan 8.250 nan 0.000 0.457 193 R N 0.248 120.756 120.500 0.013 0.000 2.254 193 R HA 0.238 4.579 4.340 0.001 0.000 0.195 193 R C 2.088 178.382 176.300 -0.009 0.000 0.957 193 R CA 0.288 56.399 56.100 0.018 0.000 1.024 193 R CB 0.002 30.332 30.300 0.050 0.000 0.952 193 R HN 0.219 nan 8.270 nan 0.000 0.484 194 I N 0.685 121.244 120.570 -0.018 0.000 2.353 194 I HA -0.164 4.007 4.170 0.001 0.000 0.248 194 I C 1.530 177.559 176.117 -0.147 0.000 1.119 194 I CA 1.222 62.462 61.300 -0.099 0.000 1.417 194 I CB -0.086 37.893 38.000 -0.035 0.000 1.078 194 I HN 0.154 nan 8.210 nan 0.000 0.421 195 T N -0.954 113.551 114.554 -0.082 0.000 3.565 195 T HA 0.168 4.519 4.350 0.001 0.000 0.248 195 T C 0.254 174.911 174.700 -0.072 0.000 1.033 195 T CA -0.107 61.948 62.100 -0.075 0.000 0.952 195 T CB -1.016 67.826 68.868 -0.044 0.000 1.072 195 T HN -0.060 nan 8.240 nan 0.000 0.609 196 V N 2.580 122.439 119.914 -0.092 0.000 2.318 196 V HA 0.349 4.470 4.120 0.001 0.000 0.271 196 V C 0.220 176.260 176.094 -0.090 0.000 1.030 196 V CA -1.149 61.109 62.300 -0.070 0.000 0.844 196 V CB 0.663 32.455 31.823 -0.051 0.000 1.015 196 V HN 0.507 nan 8.190 nan 0.000 0.460 197 L N 10.125 131.309 121.223 -0.066 0.000 2.534 197 L HA 0.292 4.633 4.340 0.001 0.000 0.271 197 L C -1.208 175.633 176.870 -0.049 0.000 1.178 197 L CA -0.368 54.435 54.840 -0.062 0.000 0.907 197 L CB 0.808 42.845 42.059 -0.037 0.000 1.164 197 L HN 0.372 nan 8.230 nan 0.000 0.482 198 P HA 0.012 nan 4.420 nan 0.000 0.259 198 P C 0.220 177.502 177.300 -0.030 0.000 1.233 198 P CA -0.285 62.793 63.100 -0.036 0.000 0.827 198 P CB 0.322 31.998 31.700 -0.039 0.000 1.154 199 L N 1.594 122.796 121.223 -0.035 0.000 2.559 199 L HA 0.303 4.644 4.340 0.001 0.000 0.282 199 L C 1.190 178.062 176.870 0.004 0.000 1.232 199 L CA 2.003 56.822 54.840 -0.034 0.000 0.885 199 L CB -0.939 41.107 42.059 -0.022 0.000 1.131 199 L HN 0.404 nan 8.230 nan 0.000 0.498 200 G N 2.394 111.196 108.800 0.003 0.000 2.141 200 G HA2 -0.218 3.743 3.960 0.001 0.000 0.195 200 G HA3 -0.218 3.743 3.960 0.001 0.000 0.195 200 G C 0.614 175.529 174.900 0.025 0.000 1.012 200 G CA 0.184 45.318 45.100 0.057 0.000 0.696 200 G HN 0.710 nan 8.290 nan 0.000 0.508 201 S N -0.382 115.314 115.700 -0.007 0.000 2.523 201 S HA 0.503 4.973 4.470 0.001 0.000 0.217 201 S C 1.815 176.405 174.600 -0.016 0.000 0.996 201 S CA 1.133 59.329 58.200 -0.007 0.000 0.921 201 S CB 0.536 63.730 63.200 -0.010 0.000 0.829 201 S HN 2.243 nan 8.310 nan 0.000 0.495 202 G N 1.529 110.310 108.800 -0.033 0.000 2.575 202 G HA2 -0.302 3.658 3.960 0.001 0.000 0.267 202 G HA3 -0.302 3.658 3.960 0.001 0.000 0.267 202 G C 0.686 175.547 174.900 -0.064 0.000 1.264 202 G CA -0.075 45.001 45.100 -0.041 0.000 0.935 202 G HN 0.295 nan 8.290 nan 0.000 0.568 203 V N -0.493 119.389 119.914 -0.054 0.000 2.548 203 V HA 0.171 4.292 4.120 0.001 0.000 0.249 203 V C 2.110 178.183 176.094 -0.035 0.000 1.055 203 V CA 3.015 65.276 62.300 -0.065 0.000 1.065 203 V CB 0.049 31.847 31.823 -0.043 0.000 0.681 203 V HN 1.290 nan 8.190 nan 0.000 0.462 204 L N -2.419 118.797 121.223 -0.012 0.000 2.325 204 L HA 0.392 4.733 4.340 0.001 0.000 0.266 204 L C 1.499 178.376 176.870 0.012 0.000 1.134 204 L CA 1.176 56.022 54.840 0.010 0.000 1.406 204 L CB -0.520 41.553 42.059 0.023 0.000 2.633 204 L HN -0.039 nan 8.230 nan 0.000 0.537 205 A N 0.294 123.119 122.820 0.009 0.000 2.275 205 A HA 0.737 5.058 4.320 0.001 0.000 0.212 205 A C 1.163 178.753 177.584 0.010 0.000 1.201 205 A CA 0.808 52.851 52.037 0.011 0.000 0.843 205 A CB -0.666 18.340 19.000 0.010 0.000 0.873 205 A HN 1.196 nan 8.150 nan 0.000 0.492 206 G N -0.375 108.430 108.800 0.008 0.000 2.422 206 G HA2 -0.101 3.860 3.960 0.001 0.000 0.607 206 G HA3 -0.101 3.860 3.960 0.001 0.000 0.607 206 G C -0.763 174.147 174.900 0.016 0.000 1.270 206 G CA -0.311 44.796 45.100 0.012 0.000 0.992 206 G HN 0.441 nan 8.290 nan 0.000 0.499 207 N N 1.471 120.188 118.700 0.029 0.000 2.422 207 N HA 0.413 5.154 4.740 0.001 0.000 0.264 207 N C -1.096 174.434 175.510 0.033 0.000 1.063 207 N CA -1.095 51.983 53.050 0.046 0.000 0.959 207 N CB 1.673 40.206 38.487 0.075 0.000 1.087 207 N HN 0.379 nan 8.380 nan 0.000 0.483 208 P HA 0.144 nan 4.420 nan 0.000 0.257 208 P C 0.316 177.626 177.300 0.017 0.000 1.325 208 P CA 0.310 63.422 63.100 0.020 0.000 0.850 208 P CB 0.330 32.040 31.700 0.017 0.000 1.324 209 L N -0.324 120.911 121.223 0.020 0.000 3.066 209 L HA 0.273 4.613 4.340 0.001 0.000 0.265 209 L C 0.155 177.023 176.870 -0.004 0.000 1.232 209 L CA -0.231 54.612 54.840 0.006 0.000 1.031 209 L CB -0.458 41.603 42.059 0.004 0.000 1.379 209 L HN -0.122 nan 8.230 nan 0.000 0.563 210 E N 0.629 120.830 120.200 0.002 0.000 2.360 210 E HA -0.247 4.103 4.350 0.001 0.000 0.238 210 E C 0.211 176.804 176.600 -0.011 0.000 1.186 210 E CA 0.244 56.642 56.400 -0.003 0.000 0.719 210 E CB -1.081 28.614 29.700 -0.007 0.000 1.236 210 E HN 0.287 nan 8.360 nan 0.000 0.386 211 I N 1.254 121.820 120.570 -0.006 0.000 2.836 211 I HA -0.031 4.140 4.170 0.001 0.000 0.285 211 I C 0.626 176.736 176.117 -0.012 0.000 1.174 211 I CA 0.301 61.586 61.300 -0.023 0.000 1.405 211 I CB 0.630 38.630 38.000 0.000 0.000 1.385 211 I HN 0.009 nan 8.210 nan 0.000 0.594 212 D N 5.702 126.087 120.400 -0.025 0.000 2.428 212 D HA 0.201 4.842 4.640 0.001 0.000 0.221 212 D C 0.914 177.213 176.300 -0.001 0.000 1.123 212 D CA -0.095 53.897 54.000 -0.014 0.000 0.869 212 D CB 0.486 41.273 40.800 -0.022 0.000 1.032 212 D HN 0.424 nan 8.370 nan 0.000 0.506 213 R N 2.100 122.605 120.500 0.010 0.000 2.148 213 R HA -0.054 4.287 4.340 0.001 0.000 0.227 213 R C 1.323 177.629 176.300 0.009 0.000 1.103 213 R CA 0.527 56.638 56.100 0.018 0.000 0.983 213 R CB 0.336 30.647 30.300 0.018 0.000 0.874 213 R HN 0.438 nan 8.270 nan 0.000 0.451 214 E N 0.887 121.088 120.200 0.002 0.000 2.150 214 E HA -0.130 4.221 4.350 0.001 0.000 0.193 214 E C 1.880 178.479 176.600 -0.002 0.000 0.985 214 E CA 0.556 56.956 56.400 -0.001 0.000 0.814 214 E CB -0.017 29.681 29.700 -0.003 0.000 0.752 214 E HN 0.209 nan 8.360 nan 0.000 0.466 215 L N 0.735 121.956 121.223 -0.004 0.000 2.156 215 L HA -0.090 4.251 4.340 0.001 0.000 0.208 215 L C 2.120 178.991 176.870 0.001 0.000 1.095 215 L CA 1.049 55.885 54.840 -0.006 0.000 0.770 215 L CB -0.632 41.418 42.059 -0.015 0.000 0.914 215 L HN 0.141 nan 8.230 nan 0.000 0.439 216 L N -0.408 120.821 121.223 0.011 0.000 2.027 216 L HA -0.210 4.131 4.340 0.001 0.000 0.206 216 L C 2.830 179.707 176.870 0.012 0.000 1.074 216 L CA 1.239 56.094 54.840 0.024 0.000 0.745 216 L CB -0.619 41.468 42.059 0.047 0.000 0.898 216 L HN 0.288 nan 8.230 nan 0.000 0.433 217 R N 0.527 121.030 120.500 0.004 0.000 2.080 217 R HA -0.202 4.139 4.340 0.001 0.000 0.236 217 R C 2.601 178.898 176.300 -0.005 0.000 1.137 217 R CA 2.175 58.273 56.100 -0.004 0.000 0.943 217 R CB -0.269 30.027 30.300 -0.006 0.000 0.846 217 R HN 0.471 nan 8.270 nan 0.000 0.431 218 S N 0.261 115.959 115.700 -0.004 0.000 2.382 218 S HA -0.102 4.369 4.470 0.001 0.000 0.228 218 S C 1.741 176.339 174.600 -0.004 0.000 1.027 218 S CA 0.946 59.143 58.200 -0.005 0.000 0.991 218 S CB -0.196 63.001 63.200 -0.005 0.000 0.823 218 S HN 0.343 nan 8.310 nan 0.000 0.469 219 E N 1.536 121.735 120.200 -0.001 0.000 2.110 219 E HA 0.048 4.399 4.350 0.001 0.000 0.193 219 E C 1.904 178.504 176.600 0.000 0.000 0.988 219 E CA 0.884 57.285 56.400 0.001 0.000 0.804 219 E CB -0.339 29.365 29.700 0.005 0.000 0.745 219 E HN 0.591 nan 8.360 nan 0.000 0.458 220 L N 0.491 121.714 121.223 -0.001 0.000 2.591 220 L HA 0.026 4.367 4.340 0.001 0.000 0.228 220 L C 0.074 176.937 176.870 -0.012 0.000 1.133 220 L CA -0.099 54.737 54.840 -0.006 0.000 0.880 220 L CB -0.135 41.919 42.059 -0.009 0.000 1.033 220 L HN 0.032 nan 8.230 nan 0.000 0.450 221 D N 0.859 121.253 120.400 -0.010 0.000 2.737 221 D HA -0.195 4.446 4.640 0.001 0.000 0.238 221 D C -0.101 176.188 176.300 -0.017 0.000 1.157 221 D CA 0.656 54.648 54.000 -0.012 0.000 0.694 221 D CB -0.179 40.614 40.800 -0.011 0.000 1.021 221 D HN -0.014 nan 8.370 nan 0.000 0.420 222 M N -0.273 119.316 119.600 -0.019 0.000 2.644 222 M HA 0.313 4.794 4.480 0.001 0.000 0.316 222 M C 2.054 178.341 176.300 -0.021 0.000 1.200 222 M CA -0.200 55.084 55.300 -0.026 0.000 0.944 222 M CB 1.270 33.850 32.600 -0.033 0.000 1.691 222 M HN 0.176 nan 8.290 nan 0.000 0.471 223 T N -2.459 112.082 114.554 -0.023 0.000 3.023 223 T HA 0.087 4.438 4.350 0.001 0.000 0.266 223 T C 0.733 175.424 174.700 -0.015 0.000 1.093 223 T CA 0.831 62.921 62.100 -0.017 0.000 1.129 223 T CB -0.065 68.794 68.868 -0.015 0.000 0.899 223 T HN 0.752 nan 8.240 nan 0.000 0.491 224 S N 0.630 116.319 115.700 -0.019 0.000 2.703 224 S HA 0.658 5.129 4.470 0.001 0.000 0.273 224 S C -1.266 173.323 174.600 -0.018 0.000 1.178 224 S CA -1.136 57.055 58.200 -0.015 0.000 0.838 224 S CB 1.046 64.239 63.200 -0.011 0.000 1.178 224 S HN 0.762 nan 8.310 nan 0.000 0.494 225 I N -0.673 119.889 120.570 -0.013 0.000 2.785 225 I HA 0.743 4.914 4.170 0.001 0.000 0.302 225 I C 0.086 176.198 176.117 -0.008 0.000 1.069 225 I CA -0.880 60.413 61.300 -0.012 0.000 1.045 225 I CB 2.060 40.057 38.000 -0.005 0.000 1.236 225 I HN 0.853 nan 8.210 nan 0.000 0.429 226 T N 1.894 116.442 114.554 -0.009 0.000 2.932 226 T HA 0.244 4.595 4.350 0.001 0.000 0.312 226 T C 0.910 175.613 174.700 0.005 0.000 1.071 226 T CA -0.337 61.763 62.100 -0.001 0.000 1.128 226 T CB 0.946 69.815 68.868 0.002 0.000 0.984 226 T HN 0.654 nan 8.240 nan 0.000 0.549 227 L N 0.832 122.060 121.223 0.009 0.000 2.249 227 L HA 0.267 4.608 4.340 0.001 0.000 0.207 227 L C 1.479 178.356 176.870 0.012 0.000 1.090 227 L CA 0.332 55.178 54.840 0.009 0.000 0.802 227 L CB -0.211 41.854 42.059 0.010 0.000 0.947 227 L HN 0.725 nan 8.230 nan 0.000 0.453 228 N N -0.366 118.343 118.700 0.015 0.000 2.296 228 N HA 0.070 4.811 4.740 0.001 0.000 0.294 228 N C 0.696 176.217 175.510 0.020 0.000 1.033 228 N CA 0.313 53.373 53.050 0.017 0.000 0.839 228 N CB 2.030 40.528 38.487 0.019 0.000 1.395 228 N HN -0.048 nan 8.380 nan 0.000 0.479 229 S N 3.771 119.481 115.700 0.018 0.000 2.383 229 S HA -0.081 4.390 4.470 0.001 0.000 0.227 229 S C 1.988 176.604 174.600 0.026 0.000 1.026 229 S CA 0.603 58.814 58.200 0.018 0.000 0.981 229 S CB -0.340 62.868 63.200 0.014 0.000 0.818 229 S HN 0.643 nan 8.310 nan 0.000 0.472 230 I N 2.445 123.033 120.570 0.029 0.000 2.142 230 I HA -0.188 3.983 4.170 0.001 0.000 0.240 230 I C 2.691 178.835 176.117 0.046 0.000 1.078 230 I CA 2.020 63.343 61.300 0.037 0.000 1.343 230 I CB -0.636 37.383 38.000 0.032 0.000 1.046 230 I HN 0.347 nan 8.210 nan 0.000 0.405 231 D N 1.102 121.527 120.400 0.041 0.000 2.092 231 D HA -0.205 4.436 4.640 0.001 0.000 0.193 231 D C 2.157 178.495 176.300 0.063 0.000 0.994 231 D CA 1.681 55.710 54.000 0.048 0.000 0.828 231 D CB 0.002 40.826 40.800 0.040 0.000 0.963 231 D HN 0.288 nan 8.370 nan 0.000 0.450 232 A N 0.041 122.893 122.820 0.053 0.000 2.032 232 A HA -0.141 4.180 4.320 0.001 0.000 0.221 232 A C 2.156 179.786 177.584 0.077 0.000 1.165 232 A CA 1.128 53.199 52.037 0.057 0.000 0.645 232 A CB -0.543 18.473 19.000 0.028 0.000 0.807 232 A HN 0.391 nan 8.150 nan 0.000 0.453 233 I N -0.194 120.422 120.570 0.077 0.000 2.703 233 I HA -0.059 4.112 4.170 0.001 0.000 0.259 233 I C 2.225 178.440 176.117 0.162 0.000 1.151 233 I CA 1.784 63.146 61.300 0.104 0.000 1.470 233 I CB -0.780 37.268 38.000 0.081 0.000 1.112 233 I HN 0.476 nan 8.210 nan 0.000 0.437 234 S N 0.116 115.890 115.700 0.124 0.000 2.539 234 S HA 0.096 4.567 4.470 0.001 0.000 0.221 234 S C 0.490 175.132 174.600 0.069 0.000 0.987 234 S CA -0.511 57.751 58.200 0.103 0.000 0.929 234 S CB -0.224 63.020 63.200 0.073 0.000 0.832 234 S HN 0.455 nan 8.310 nan 0.000 0.492 235 E N 1.147 121.400 120.200 0.088 0.000 2.242 235 E HA 0.552 4.903 4.350 0.001 0.000 0.275 235 E C 0.099 176.741 176.600 0.069 0.000 1.002 235 E CA -0.902 55.540 56.400 0.069 0.000 0.841 235 E CB 0.689 30.441 29.700 0.087 0.000 1.109 235 E HN -0.092 nan 8.360 nan 0.000 0.394 236 R N 2.335 122.805 120.500 -0.050 0.000 2.668 236 R HA 0.145 4.486 4.340 0.001 0.000 0.435 236 R C -0.455 175.640 176.300 -0.343 0.000 1.059 236 R CA -0.234 55.693 56.100 -0.287 0.000 1.073 236 R CB 0.002 30.139 30.300 -0.272 0.000 1.401 236 R HN 0.637 nan 8.270 nan 0.000 0.590 237 D N 0.833 121.168 120.400 -0.108 0.000 2.116 237 D HA -0.211 4.430 4.640 0.001 0.000 0.193 237 D C 1.640 177.908 176.300 -0.053 0.000 0.998 237 D CA 1.584 55.560 54.000 -0.040 0.000 0.836 237 D CB -0.234 40.603 40.800 0.062 0.000 0.951 237 D HN 0.354 nan 8.370 nan 0.000 0.449 238 F N -0.112 119.840 119.950 0.004 0.000 2.202 238 F HA -0.121 4.407 4.527 0.001 0.000 0.301 238 F C 2.054 177.856 175.800 0.003 0.000 1.082 238 F CA 0.570 58.572 58.000 0.004 0.000 1.313 238 F CB -0.981 38.022 39.000 0.005 0.000 1.024 238 F HN -0.150 nan 8.300 nan 0.000 0.495 239 V N 0.729 120.161 119.914 -0.804 0.000 2.307 239 V HA -0.224 3.897 4.120 0.001 0.000 0.245 239 V C 2.579 178.544 176.094 -0.215 0.000 1.045 239 V CA 1.639 63.652 62.300 -0.478 0.000 1.024 239 V CB -0.540 30.940 31.823 -0.572 0.000 0.651 239 V HN 0.366 nan 8.190 nan 0.000 0.449 240 V N 1.344 121.134 119.914 -0.206 0.000 2.287 240 V HA -0.293 3.828 4.120 0.001 0.000 0.248 240 V C 2.498 178.560 176.094 -0.054 0.000 1.053 240 V CA 2.449 64.683 62.300 -0.110 0.000 1.027 240 V CB -0.921 30.846 31.823 -0.094 0.000 0.646 240 V HN 0.865 nan 8.190 nan 0.000 0.447 241 E N 0.156 120.339 120.200 -0.029 0.000 2.274 241 E HA -0.146 4.205 4.350 0.001 0.000 0.194 241 E C 2.255 178.863 176.600 0.013 0.000 0.996 241 E CA 0.791 57.192 56.400 0.003 0.000 0.840 241 E CB -0.277 29.436 29.700 0.023 0.000 0.772 241 E HN 0.499 nan 8.360 nan 0.000 0.491 242 L N 1.403 122.637 121.223 0.018 0.000 2.044 242 L HA -0.062 4.279 4.340 0.001 0.000 0.205 242 L C 2.224 179.102 176.870 0.013 0.000 1.075 242 L CA 1.503 56.362 54.840 0.032 0.000 0.747 242 L CB -0.354 41.740 42.059 0.058 0.000 0.903 242 L HN 0.240 nan 8.230 nan 0.000 0.435 243 I N -0.565 120.001 120.570 -0.006 0.000 2.315 243 I HA -0.254 3.917 4.170 0.001 0.000 0.248 243 I C 2.772 178.891 176.117 0.002 0.000 1.117 243 I CA 1.158 62.453 61.300 -0.008 0.000 1.404 243 I CB -0.279 37.702 38.000 -0.031 0.000 1.071 243 I HN 0.274 nan 8.210 nan 0.000 0.419 244 S N 0.566 116.266 115.700 -0.000 0.000 2.368 244 S HA -0.126 4.344 4.470 0.001 0.000 0.225 244 S C 2.102 176.702 174.600 -0.000 0.000 1.030 244 S CA 1.260 59.465 58.200 0.008 0.000 0.999 244 S CB -0.167 63.036 63.200 0.004 0.000 0.844 244 S HN 0.224 nan 8.310 nan 0.000 0.459 245 V N 2.052 121.966 119.914 -0.001 0.000 2.407 245 V HA -0.110 4.011 4.120 0.001 0.000 0.248 245 V C 2.808 178.894 176.094 -0.013 0.000 1.055 245 V CA 1.705 64.001 62.300 -0.007 0.000 1.049 245 V CB -1.255 30.573 31.823 0.008 0.000 0.662 245 V HN 0.600 nan 8.190 nan 0.000 0.455 246 A N -0.488 122.332 122.820 -0.000 0.000 1.972 246 A HA -0.202 4.119 4.320 0.001 0.000 0.219 246 A C 2.386 179.965 177.584 -0.007 0.000 1.169 246 A CA 2.354 54.392 52.037 0.002 0.000 0.635 246 A CB -0.807 18.201 19.000 0.012 0.000 0.810 246 A HN 0.498 nan 8.150 nan 0.000 0.446 247 T N -0.046 114.508 114.554 -0.000 0.000 2.777 247 T HA -0.096 4.254 4.350 0.001 0.000 0.266 247 T C 1.808 176.473 174.700 -0.058 0.000 1.040 247 T CA 1.458 63.564 62.100 0.010 0.000 1.141 247 T CB -0.282 68.629 68.868 0.073 0.000 0.868 247 T HN 0.313 nan 8.240 nan 0.000 0.444 248 L N 1.395 122.555 121.223 -0.105 0.000 2.093 248 L HA 0.140 4.481 4.340 0.001 0.000 0.208 248 L C 2.066 178.709 176.870 -0.378 0.000 1.085 248 L CA 1.332 56.029 54.840 -0.238 0.000 0.755 248 L CB -0.972 40.954 42.059 -0.222 0.000 0.904 248 L HN 0.179 nan 8.230 nan 0.000 0.435 249 L N -0.893 120.208 121.223 -0.203 0.000 2.046 249 L HA -0.164 4.177 4.340 0.001 0.000 0.208 249 L C 2.228 179.069 176.870 -0.050 0.000 1.077 249 L CA 1.869 56.647 54.840 -0.102 0.000 0.747 249 L CB -0.632 41.422 42.059 -0.007 0.000 0.896 249 L HN 0.237 nan 8.230 nan 0.000 0.432 250 M N -0.850 118.721 119.600 -0.048 0.000 2.229 250 M HA -0.129 4.352 4.480 0.001 0.000 0.264 250 M C 2.254 178.538 176.300 -0.027 0.000 1.063 250 M CA 1.136 56.425 55.300 -0.018 0.000 1.114 250 M CB -0.928 31.669 32.600 -0.004 0.000 1.387 250 M HN 0.259 nan 8.290 nan 0.000 0.420 251 I N -0.542 119.979 120.570 -0.082 0.000 2.226 251 I HA -0.291 3.880 4.170 0.001 0.000 0.245 251 I C 2.261 178.389 176.117 0.017 0.000 1.100 251 I CA 1.607 62.861 61.300 -0.076 0.000 1.374 251 I CB -1.322 36.591 38.000 -0.145 0.000 1.057 251 I HN 0.418 nan 8.210 nan 0.000 0.413 252 H N 0.168 119.228 119.070 -0.018 0.000 2.321 252 H HA -0.109 4.448 4.556 0.002 0.000 0.300 252 H C 2.366 177.693 175.328 -0.001 0.000 1.087 252 H CA 0.874 56.919 56.048 -0.004 0.000 1.319 252 H CB 0.091 29.852 29.762 -0.003 0.000 1.379 252 H HN 0.221 nan 8.280 nan 0.000 0.501 253 L N 0.489 121.777 121.223 0.109 0.000 2.141 253 L HA -0.148 4.193 4.340 0.001 0.000 0.209 253 L C 2.730 179.599 176.870 -0.001 0.000 1.094 253 L CA 1.066 55.921 54.840 0.024 0.000 0.763 253 L CB -0.371 41.691 42.059 0.005 0.000 0.908 253 L HN 0.372 nan 8.230 nan 0.000 0.437 254 S N -0.196 115.508 115.700 0.008 0.000 2.402 254 S HA -0.171 4.300 4.470 0.001 0.000 0.229 254 S C 1.894 176.488 174.600 -0.011 0.000 1.021 254 S CA 0.783 58.977 58.200 -0.011 0.000 0.974 254 S CB -0.146 63.043 63.200 -0.017 0.000 0.800 254 S HN 0.400 nan 8.310 nan 0.000 0.484 255 K N 0.528 120.939 120.400 0.019 0.000 2.116 255 K HA 0.169 4.490 4.320 0.001 0.000 0.203 255 K C 2.093 178.714 176.600 0.035 0.000 1.052 255 K CA 0.979 57.284 56.287 0.030 0.000 0.952 255 K CB -0.398 32.142 32.500 0.067 0.000 0.729 255 K HN 0.318 nan 8.250 nan 0.000 0.446 256 L N 1.212 122.437 121.223 0.004 0.000 2.083 256 L HA -0.083 4.258 4.340 0.001 0.000 0.209 256 L C 2.166 178.960 176.870 -0.127 0.000 1.083 256 L CA 1.595 56.327 54.840 -0.181 0.000 0.752 256 L CB -0.503 41.324 42.059 -0.386 0.000 0.899 256 L HN 0.101 nan 8.230 nan 0.000 0.433 257 A N -0.593 122.175 122.820 -0.086 0.000 1.898 257 A HA -0.229 4.092 4.320 0.001 0.000 0.216 257 A C 2.245 179.776 177.584 -0.088 0.000 1.181 257 A CA 1.612 53.604 52.037 -0.074 0.000 0.620 257 A CB -0.698 18.271 19.000 -0.053 0.000 0.819 257 A HN 0.567 nan 8.150 nan 0.000 0.442 258 E N 0.711 120.857 120.200 -0.091 0.000 2.051 258 E HA -0.194 4.157 4.350 0.001 0.000 0.192 258 E C 1.409 177.875 176.600 -0.222 0.000 0.991 258 E CA 1.747 58.071 56.400 -0.128 0.000 0.799 258 E CB -0.276 29.364 29.700 -0.101 0.000 0.748 258 E HN 0.544 nan 8.360 nan 0.000 0.449 259 D N 0.277 120.545 120.400 -0.220 0.000 2.106 259 D HA -0.183 4.458 4.640 0.001 0.000 0.191 259 D C 2.087 178.036 176.300 -0.586 0.000 0.997 259 D CA 1.395 55.124 54.000 -0.451 0.000 0.834 259 D CB -0.356 40.393 40.800 -0.086 0.000 0.956 259 D HN 0.284 nan 8.370 nan 0.000 0.448 260 L N 0.441 121.542 121.223 -0.203 0.000 2.201 260 L HA -0.072 4.269 4.340 0.001 0.000 0.212 260 L C 2.554 179.385 176.870 -0.065 0.000 1.105 260 L CA 0.354 55.176 54.840 -0.030 0.000 0.775 260 L CB -0.220 41.873 42.059 0.057 0.000 0.913 260 L HN 0.019 nan 8.230 nan 0.000 0.440 261 I N -0.330 120.161 120.570 -0.130 0.000 2.202 261 I HA -0.280 3.891 4.170 0.001 0.000 0.242 261 I C 2.399 178.409 176.117 -0.178 0.000 1.091 261 I CA 1.020 62.252 61.300 -0.114 0.000 1.368 261 I CB -0.095 37.839 38.000 -0.109 0.000 1.058 261 I HN 0.159 nan 8.210 nan 0.000 0.410 262 I N 0.533 120.906 120.570 -0.329 0.000 2.179 262 I HA -0.288 3.883 4.170 0.001 0.000 0.242 262 I C 2.509 178.316 176.117 -0.516 0.000 1.088 262 I CA 1.957 62.935 61.300 -0.536 0.000 1.357 262 I CB -1.361 36.170 38.000 -0.780 0.000 1.051 262 I HN 0.200 nan 8.210 nan 0.000 0.409 263 F N 1.208 120.898 119.950 -0.433 0.000 2.365 263 F HA -0.160 4.368 4.527 0.002 0.000 0.300 263 F C 2.505 178.233 175.800 -0.120 0.000 1.090 263 F CA 0.788 58.641 58.000 -0.246 0.000 1.408 263 F CB -0.163 38.852 39.000 0.025 0.000 1.060 263 F HN 0.200 nan 8.300 nan 0.000 0.534 264 S N -0.905 114.843 115.700 0.080 0.000 2.575 264 S HA -0.003 4.468 4.470 0.001 0.000 0.215 264 S C 0.822 175.435 174.600 0.021 0.000 0.966 264 S CA -0.057 58.179 58.200 0.060 0.000 0.911 264 S CB -1.054 62.182 63.200 0.059 0.000 0.780 264 S HN 0.224 nan 8.310 nan 0.000 0.514 265 T N 0.304 114.854 114.554 -0.006 0.000 2.802 265 T HA 0.247 4.598 4.350 0.001 0.000 0.305 265 T C 1.579 176.299 174.700 0.033 0.000 1.053 265 T CA 0.301 62.410 62.100 0.014 0.000 1.058 265 T CB 0.783 69.669 68.868 0.030 0.000 0.988 265 T HN 0.371 nan 8.240 nan 0.000 0.539 266 T N -1.177 113.394 114.554 0.028 0.000 2.857 266 T HA -0.069 4.282 4.350 0.001 0.000 0.266 266 T C 1.534 176.239 174.700 0.009 0.000 1.048 266 T CA 1.006 63.115 62.100 0.016 0.000 1.139 266 T CB -0.540 68.334 68.868 0.011 0.000 0.874 266 T HN 0.672 nan 8.240 nan 0.000 0.455 267 E N 0.951 121.173 120.200 0.037 0.000 2.058 267 E HA -0.005 4.346 4.350 0.001 0.000 0.194 267 E C 1.626 178.180 176.600 -0.075 0.000 0.997 267 E CA 1.387 57.792 56.400 0.009 0.000 0.801 267 E CB -0.523 29.216 29.700 0.065 0.000 0.746 267 E HN 0.586 nan 8.360 nan 0.000 0.450 268 F N -0.837 118.960 119.950 -0.255 0.000 2.147 268 F HA 0.194 4.722 4.527 0.002 0.000 0.291 268 F C 1.892 177.302 175.800 -0.650 0.000 1.093 268 F CA 1.192 58.849 58.000 -0.572 0.000 1.263 268 F CB -0.488 38.122 39.000 -0.649 0.000 1.036 268 F HN 0.165 nan 8.300 nan 0.000 0.481 269 G N -0.353 108.356 108.800 -0.152 0.000 2.249 269 G HA2 -0.310 3.651 3.960 0.001 0.000 0.273 269 G HA3 -0.310 3.651 3.960 0.001 0.000 0.273 269 G C 0.667 175.598 174.900 0.051 0.000 1.036 269 G CA 0.487 45.552 45.100 -0.058 0.000 0.824 269 G HN 0.239 nan 8.290 nan 0.000 0.504 270 F N -0.428 119.525 119.950 0.005 0.000 2.335 270 F HA 0.327 4.854 4.527 0.001 0.000 0.296 270 F C 1.721 177.424 175.800 -0.162 0.000 1.091 270 F CA 0.381 58.294 58.000 -0.146 0.000 1.399 270 F CB -0.379 38.426 39.000 -0.324 0.000 1.067 270 F HN 0.516 nan 8.300 nan 0.000 0.520 271 V N -3.081 116.911 119.914 0.131 0.000 3.102 271 V HA 0.824 4.945 4.120 0.001 0.000 0.312 271 V C -0.580 175.557 176.094 0.072 0.000 1.135 271 V CA -0.553 61.792 62.300 0.075 0.000 1.022 271 V CB 1.782 33.697 31.823 0.154 0.000 1.056 271 V HN -0.067 nan 8.190 nan 0.000 0.436 272 T N 3.842 118.431 114.554 0.059 0.000 2.928 272 T HA 0.598 4.949 4.350 0.001 0.000 0.296 272 T C -0.486 174.258 174.700 0.073 0.000 1.000 272 T CA -0.386 61.747 62.100 0.056 0.000 0.989 272 T CB 1.226 70.117 68.868 0.038 0.000 1.005 272 T HN 0.745 nan 8.240 nan 0.000 0.442 273 L N 2.575 123.847 121.223 0.082 0.000 2.418 273 L HA 0.488 4.829 4.340 0.001 0.000 0.265 273 L C 1.306 178.244 176.870 0.114 0.000 1.143 273 L CA -0.787 54.118 54.840 0.109 0.000 0.809 273 L CB 0.863 42.993 42.059 0.120 0.000 1.124 273 L HN 0.756 nan 8.230 nan 0.000 0.456 274 S N -0.440 115.355 115.700 0.160 0.000 2.600 274 S HA 0.042 4.513 4.470 0.001 0.000 0.265 274 S C 0.537 175.193 174.600 0.093 0.000 1.325 274 S CA -0.654 57.625 58.200 0.131 0.000 1.002 274 S CB 0.965 64.270 63.200 0.174 0.000 0.921 274 S HN 0.591 nan 8.310 nan 0.000 0.554 275 D N 1.248 121.668 120.400 0.034 0.000 2.263 275 D HA 0.005 4.646 4.640 0.001 0.000 0.208 275 D C 1.990 178.245 176.300 -0.076 0.000 0.971 275 D CA 1.482 55.477 54.000 -0.008 0.000 0.867 275 D CB -0.661 40.130 40.800 -0.015 0.000 0.929 275 D HN 0.713 nan 8.370 nan 0.000 0.492 276 A N -0.585 122.139 122.820 -0.160 0.000 2.066 276 A HA -0.115 4.206 4.320 0.001 0.000 0.218 276 A C 0.917 178.095 177.584 -0.677 0.000 1.157 276 A CA 0.776 52.549 52.037 -0.441 0.000 0.670 276 A CB -0.390 18.242 19.000 -0.614 0.000 0.804 276 A HN 0.306 nan 8.150 nan 0.000 0.453 277 Y N -0.648 119.658 120.300 0.010 0.000 2.682 277 Y HA 0.382 4.933 4.550 0.002 0.000 0.251 277 Y C 0.385 176.290 175.900 0.009 0.000 1.172 277 Y CA -0.229 57.877 58.100 0.009 0.000 1.186 277 Y CB 0.473 38.940 38.460 0.012 0.000 1.216 277 Y HN 0.103 nan 8.280 nan 0.000 0.540 278 S N -0.731 115.010 115.700 0.068 0.000 2.632 278 S HA 0.684 5.155 4.470 0.001 0.000 0.289 278 S C -0.400 174.209 174.600 0.015 0.000 1.115 278 S CA -0.744 57.487 58.200 0.052 0.000 0.889 278 S CB 2.296 65.528 63.200 0.054 0.000 1.116 278 S HN -0.028 nan 8.310 nan 0.000 0.486 279 T N 1.101 115.664 114.554 0.016 0.000 2.876 279 T HA 0.766 5.117 4.350 0.001 0.000 0.289 279 T C 0.211 174.915 174.700 0.006 0.000 1.014 279 T CA -0.509 61.594 62.100 0.005 0.000 0.986 279 T CB 1.698 70.568 68.868 0.005 0.000 1.021 279 T HN 0.769 nan 8.240 nan 0.000 0.458 280 G N 1.099 109.900 108.800 0.002 0.000 3.243 280 G HA2 0.821 4.782 3.960 0.001 0.000 0.248 280 G HA3 0.821 4.782 3.960 0.001 0.000 0.248 280 G C -1.071 173.830 174.900 0.001 0.000 1.267 280 G CA -0.663 44.439 45.100 0.003 0.000 0.906 280 G HN 1.010 nan 8.290 nan 0.000 0.592 281 S N -2.033 113.668 115.700 0.002 0.000 2.547 281 S HA 0.501 4.972 4.470 0.001 0.000 0.270 281 S C 0.704 175.304 174.600 0.001 0.000 1.150 281 S CA 0.429 58.630 58.200 0.001 0.000 0.850 281 S CB 1.423 64.624 63.200 0.001 0.000 1.118 281 S HN 1.392 nan 8.310 nan 0.000 0.461 282 S N 0.885 116.585 115.700 -0.000 0.000 2.414 282 S HA -0.015 4.456 4.470 0.001 0.000 0.227 282 S C 1.484 176.085 174.600 0.001 0.000 1.022 282 S CA 0.553 58.753 58.200 -0.000 0.000 0.958 282 S CB -0.720 62.480 63.200 -0.001 0.000 0.797 282 S HN 0.520 nan 8.310 nan 0.000 0.493 283 L N 0.763 121.986 121.223 0.001 0.000 2.291 283 L HA 0.352 4.693 4.340 0.001 0.000 0.214 283 L C 0.570 177.440 176.870 0.002 0.000 1.120 283 L CA 1.173 56.013 54.840 0.001 0.000 0.799 283 L CB -0.655 41.405 42.059 0.001 0.000 0.925 283 L HN 0.362 nan 8.230 nan 0.000 0.446 284 L N 1.188 122.412 121.223 0.002 0.000 2.433 284 L HA 0.269 4.610 4.340 0.001 0.000 0.256 284 L C -1.421 175.451 176.870 0.004 0.000 1.063 284 L CA -0.931 53.911 54.840 0.003 0.000 0.922 284 L CB 1.596 43.657 42.059 0.003 0.000 1.238 284 L HN -0.102 nan 8.230 nan 0.000 0.466 285 P HA -0.161 nan 4.420 nan 0.000 0.222 285 P C 0.667 177.970 177.300 0.006 0.000 1.147 285 P CA 1.011 64.113 63.100 0.004 0.000 0.790 285 P CB 0.484 32.186 31.700 0.003 0.000 0.780 286 Q N -0.264 119.539 119.800 0.006 0.000 2.320 286 Q HA 0.095 4.436 4.340 0.001 0.000 0.201 286 Q C 0.717 176.723 176.000 0.009 0.000 0.910 286 Q CA 0.260 56.067 55.803 0.007 0.000 0.946 286 Q CB 0.266 29.008 28.738 0.006 0.000 1.062 286 Q HN 0.344 nan 8.270 nan 0.000 0.503 287 K N 1.437 121.842 120.400 0.008 0.000 2.292 287 K HA 0.198 4.519 4.320 0.001 0.000 0.270 287 K C -0.645 175.962 176.600 0.011 0.000 1.062 287 K CA -0.114 56.179 56.287 0.009 0.000 0.916 287 K CB 0.513 33.017 32.500 0.007 0.000 1.166 287 K HN -0.242 nan 8.250 nan 0.000 0.458 288 K N 3.783 124.192 120.400 0.015 0.000 2.464 288 K HA 0.243 4.563 4.320 0.001 0.000 0.252 288 K C -0.963 175.650 176.600 0.021 0.000 1.000 288 K CA -0.825 55.474 56.287 0.020 0.000 0.951 288 K CB 0.965 33.482 32.500 0.027 0.000 1.183 288 K HN 0.553 nan 8.250 nan 0.000 0.445 289 N N 4.203 122.914 118.700 0.018 0.000 2.475 289 N HA 0.062 4.803 4.740 0.001 0.000 0.267 289 N C -2.125 173.402 175.510 0.027 0.000 1.169 289 N CA -1.295 51.765 53.050 0.017 0.000 0.947 289 N CB 0.750 39.245 38.487 0.013 0.000 1.061 289 N HN 0.294 nan 8.380 nan 0.000 0.466 290 P HA 0.137 nan 4.420 nan 0.000 0.220 290 P C -0.411 176.909 177.300 0.034 0.000 1.778 290 P CA -0.160 62.960 63.100 0.034 0.000 0.912 290 P CB 0.069 31.779 31.700 0.017 0.000 1.861 291 D N 0.918 121.342 120.400 0.038 0.000 2.133 291 D HA -0.219 4.422 4.640 0.001 0.000 0.192 291 D C 2.275 178.604 176.300 0.048 0.000 1.001 291 D CA 2.426 56.447 54.000 0.035 0.000 0.844 291 D CB -0.494 40.326 40.800 0.032 0.000 0.944 291 D HN 0.286 nan 8.370 nan 0.000 0.447 292 S N 0.333 116.084 115.700 0.085 0.000 2.374 292 S HA -0.197 4.274 4.470 0.001 0.000 0.227 292 S C 2.083 176.709 174.600 0.044 0.000 1.037 292 S CA 0.929 59.192 58.200 0.106 0.000 1.024 292 S CB -0.819 62.513 63.200 0.219 0.000 0.861 292 S HN 0.291 nan 8.310 nan 0.000 0.456 293 L N 1.067 122.305 121.223 0.025 0.000 2.156 293 L HA -0.003 4.338 4.340 0.001 0.000 0.208 293 L C 2.871 179.736 176.870 -0.009 0.000 1.095 293 L CA 1.436 56.272 54.840 -0.007 0.000 0.770 293 L CB -0.601 41.449 42.059 -0.015 0.000 0.914 293 L HN 0.400 nan 8.230 nan 0.000 0.439 294 E N 0.191 120.391 120.200 0.001 0.000 2.107 294 E HA -0.166 4.185 4.350 0.001 0.000 0.191 294 E C 2.348 178.949 176.600 0.002 0.000 0.982 294 E CA 0.750 57.148 56.400 -0.003 0.000 0.809 294 E CB 0.019 29.719 29.700 0.000 0.000 0.756 294 E HN 0.415 nan 8.360 nan 0.000 0.459 295 L N 0.731 121.960 121.223 0.010 0.000 2.027 295 L HA -0.174 4.167 4.340 0.001 0.000 0.206 295 L C 2.370 179.244 176.870 0.007 0.000 1.074 295 L CA 0.953 55.800 54.840 0.012 0.000 0.745 295 L CB -0.176 41.896 42.059 0.022 0.000 0.898 295 L HN 0.174 nan 8.230 nan 0.000 0.433 296 I N -0.593 119.978 120.570 0.002 0.000 2.163 296 I HA -0.382 3.789 4.170 0.001 0.000 0.243 296 I C 2.778 178.891 176.117 -0.007 0.000 1.085 296 I CA 1.374 62.671 61.300 -0.006 0.000 1.347 296 I CB -0.368 37.620 38.000 -0.020 0.000 1.044 296 I HN 0.267 nan 8.210 nan 0.000 0.408 297 R N 1.009 121.502 120.500 -0.012 0.000 2.091 297 R HA -0.204 4.137 4.340 0.001 0.000 0.238 297 R C 2.520 178.816 176.300 -0.005 0.000 1.136 297 R CA 2.139 58.231 56.100 -0.014 0.000 0.959 297 R CB -0.218 30.069 30.300 -0.021 0.000 0.856 297 R HN 0.486 nan 8.270 nan 0.000 0.437 298 S N 0.131 115.831 115.700 0.000 0.000 2.423 298 S HA -0.036 4.434 4.470 0.001 0.000 0.231 298 S C 1.570 176.180 174.600 0.016 0.000 1.014 298 S CA 0.596 58.801 58.200 0.008 0.000 0.965 298 S CB 0.009 63.214 63.200 0.008 0.000 0.785 298 S HN 0.205 nan 8.310 nan 0.000 0.495 299 K N 1.870 122.277 120.400 0.013 0.000 2.283 299 K HA 0.225 4.546 4.320 0.001 0.000 0.202 299 K C 2.286 178.902 176.600 0.027 0.000 1.048 299 K CA 1.039 57.336 56.287 0.017 0.000 0.948 299 K CB -1.026 31.481 32.500 0.011 0.000 0.742 299 K HN 0.538 nan 8.250 nan 0.000 0.458 300 A N 1.053 123.886 122.820 0.022 0.000 1.933 300 A HA -0.074 4.247 4.320 0.001 0.000 0.218 300 A C 2.465 180.093 177.584 0.073 0.000 1.175 300 A CA 1.986 54.039 52.037 0.028 0.000 0.628 300 A CB -0.960 18.038 19.000 -0.002 0.000 0.814 300 A HN 0.360 nan 8.150 nan 0.000 0.444 301 G N -0.765 108.077 108.800 0.070 0.000 2.402 301 G HA2 -0.236 3.725 3.960 0.001 0.000 0.216 301 G HA3 -0.236 3.725 3.960 0.001 0.000 0.216 301 G C 1.736 176.710 174.900 0.123 0.000 1.162 301 G CA 0.931 46.104 45.100 0.123 0.000 0.777 301 G HN 0.531 nan 8.290 nan 0.000 0.539 302 R N -0.055 120.484 120.500 0.065 0.000 2.091 302 R HA -0.068 4.273 4.340 0.001 0.000 0.238 302 R C 2.583 178.902 176.300 0.032 0.000 1.136 302 R CA 1.678 57.800 56.100 0.036 0.000 0.959 302 R CB -0.361 29.952 30.300 0.021 0.000 0.856 302 R HN 0.290 nan 8.270 nan 0.000 0.437 303 V N 0.686 120.631 119.914 0.053 0.000 2.379 303 V HA -0.200 3.920 4.120 0.001 0.000 0.245 303 V C 2.021 178.157 176.094 0.070 0.000 1.044 303 V CA 1.579 63.906 62.300 0.045 0.000 1.036 303 V CB -0.700 31.150 31.823 0.046 0.000 0.664 303 V HN 0.316 nan 8.190 nan 0.000 0.453 304 F N 2.529 122.462 119.950 -0.027 0.000 2.161 304 F HA -0.070 4.458 4.527 0.000 0.000 0.300 304 F C 2.138 177.922 175.800 -0.027 0.000 1.089 304 F CA 1.477 59.460 58.000 -0.029 0.000 1.282 304 F CB -0.983 38.000 39.000 -0.028 0.000 1.010 304 F HN 0.140 nan 8.300 nan 0.000 0.485 305 G N 0.660 109.346 108.800 -0.188 0.000 2.442 305 G HA2 -0.247 3.714 3.960 0.001 0.000 0.219 305 G HA3 -0.247 3.714 3.960 0.001 0.000 0.219 305 G C 1.813 176.568 174.900 -0.243 0.000 1.141 305 G CA 0.581 45.515 45.100 -0.276 0.000 0.763 305 G HN 0.226 nan 8.290 nan 0.000 0.554 306 R N -0.173 120.236 120.500 -0.152 0.000 2.115 306 R HA 0.184 4.525 4.340 0.001 0.000 0.226 306 R C 2.432 178.644 176.300 -0.146 0.000 1.100 306 R CA 0.140 56.168 56.100 -0.119 0.000 0.980 306 R CB -0.979 29.281 30.300 -0.067 0.000 0.875 306 R HN 0.379 nan 8.270 nan 0.000 0.445 307 L N 0.431 121.551 121.223 -0.172 0.000 2.005 307 L HA -0.109 4.232 4.340 0.001 0.000 0.207 307 L C 2.229 178.969 176.870 -0.217 0.000 1.072 307 L CA 1.593 56.341 54.840 -0.152 0.000 0.744 307 L CB -0.546 41.468 42.059 -0.075 0.000 0.895 307 L HN 0.140 nan 8.230 nan 0.000 0.433 308 A N -0.215 122.364 122.820 -0.401 0.000 1.908 308 A HA -0.224 4.097 4.320 0.001 0.000 0.218 308 A C 2.422 179.877 177.584 -0.215 0.000 1.181 308 A CA 1.858 53.679 52.037 -0.361 0.000 0.627 308 A CB -0.752 17.908 19.000 -0.566 0.000 0.818 308 A HN 0.564 nan 8.150 nan 0.000 0.445 309 A N -0.407 122.293 122.820 -0.200 0.000 1.858 309 A HA -0.094 4.227 4.320 0.001 0.000 0.216 309 A C 2.116 179.632 177.584 -0.114 0.000 1.190 309 A CA 1.769 53.724 52.037 -0.138 0.000 0.617 309 A CB -0.613 18.314 19.000 -0.122 0.000 0.827 309 A HN 0.602 nan 8.150 nan 0.000 0.443 310 I N -1.003 119.498 120.570 -0.115 0.000 2.315 310 I HA -0.150 4.021 4.170 0.001 0.000 0.248 310 I C 1.994 178.053 176.117 -0.097 0.000 1.117 310 I CA 0.960 62.197 61.300 -0.105 0.000 1.404 310 I CB -0.244 37.689 38.000 -0.112 0.000 1.071 310 I HN 0.198 nan 8.210 nan 0.000 0.419 311 L N -0.438 120.728 121.223 -0.096 0.000 2.046 311 L HA -0.179 4.162 4.340 0.001 0.000 0.208 311 L C 2.464 179.293 176.870 -0.070 0.000 1.077 311 L CA 2.049 56.843 54.840 -0.077 0.000 0.747 311 L CB -0.974 41.044 42.059 -0.069 0.000 0.896 311 L HN 0.358 nan 8.230 nan 0.000 0.432 312 M N -1.954 117.599 119.600 -0.077 0.000 2.254 312 M HA -0.132 4.349 4.480 0.001 0.000 0.265 312 M C 2.030 178.291 176.300 -0.065 0.000 1.066 312 M CA 1.107 56.367 55.300 -0.066 0.000 1.123 312 M CB 0.071 32.630 32.600 -0.069 0.000 1.388 312 M HN 0.028 nan 8.290 nan 0.000 0.425 313 V N 0.932 120.802 119.914 -0.074 0.000 2.343 313 V HA -0.277 3.844 4.120 0.001 0.000 0.247 313 V C 2.233 178.283 176.094 -0.073 0.000 1.051 313 V CA 1.665 63.920 62.300 -0.075 0.000 1.036 313 V CB -0.586 31.187 31.823 -0.082 0.000 0.654 313 V HN 0.534 nan 8.190 nan 0.000 0.451 314 L N -0.668 120.511 121.223 -0.072 0.000 2.240 314 L HA 0.013 4.354 4.340 0.001 0.000 0.211 314 L C 1.521 178.360 176.870 -0.052 0.000 1.106 314 L CA 0.512 55.313 54.840 -0.066 0.000 0.793 314 L CB -0.329 41.690 42.059 -0.068 0.000 0.927 314 L HN 0.164 nan 8.230 nan 0.000 0.446 315 K N 1.515 121.886 120.400 -0.048 0.000 2.453 315 K HA -0.005 4.316 4.320 0.001 0.000 0.280 315 K C 0.876 177.455 176.600 -0.035 0.000 1.045 315 K CA 1.003 57.268 56.287 -0.037 0.000 1.059 315 K CB 0.298 32.777 32.500 -0.035 0.000 0.901 315 K HN 0.315 nan 8.250 nan 0.000 0.475 316 G N 3.943 112.726 108.800 -0.029 0.000 2.155 316 G HA2 -0.273 3.687 3.960 0.001 0.000 0.257 316 G HA3 -0.273 3.687 3.960 0.001 0.000 0.257 316 G C 0.319 175.201 174.900 -0.029 0.000 0.983 316 G CA 0.658 45.743 45.100 -0.026 0.000 0.676 316 G HN 0.766 nan 8.290 nan 0.000 0.528 317 I N -1.606 118.942 120.570 -0.036 0.000 2.488 317 I HA 0.744 4.915 4.170 0.001 0.000 0.299 317 I C -1.524 174.573 176.117 -0.033 0.000 0.984 317 I CA -2.733 58.542 61.300 -0.041 0.000 1.250 317 I CB 0.728 38.693 38.000 -0.059 0.000 1.389 317 I HN -0.135 nan 8.210 nan 0.000 0.488 318 P HA 0.050 nan 4.420 nan 0.000 0.267 318 P C -0.407 176.885 177.300 -0.013 0.000 1.201 318 P CA -0.075 63.015 63.100 -0.018 0.000 0.775 318 P CB 0.352 32.042 31.700 -0.015 0.000 0.854 319 S N 0.725 116.425 115.700 -0.001 0.000 4.175 319 S HA 0.297 4.767 4.470 0.001 0.000 0.193 319 S C 0.343 174.958 174.600 0.025 0.000 1.373 319 S CA 0.095 58.301 58.200 0.010 0.000 0.908 319 S CB -0.916 62.291 63.200 0.013 0.000 1.547 319 S HN 0.633 nan 8.310 nan 0.000 0.440 320 T N 0.318 114.888 114.554 0.027 0.000 2.661 320 T HA 0.475 4.826 4.350 0.001 0.000 0.305 320 T C -1.607 173.142 174.700 0.082 0.000 1.441 320 T CA -0.700 61.439 62.100 0.065 0.000 0.999 320 T CB 0.280 69.185 68.868 0.061 0.000 1.650 320 T HN 0.176 nan 8.240 nan 0.000 0.489 321 F N 2.831 122.781 119.950 0.001 0.000 2.429 321 F HA 0.627 5.155 4.527 0.001 0.000 0.348 321 F C 0.304 176.102 175.800 -0.004 0.000 1.109 321 F CA 0.389 58.388 58.000 -0.001 0.000 1.232 321 F CB 0.679 39.679 39.000 -0.000 0.000 1.157 321 F HN 0.637 nan 8.300 nan 0.000 0.564 322 S N 4.280 119.404 115.700 -0.961 0.000 2.565 322 S HA 0.273 4.743 4.470 0.001 0.000 0.269 322 S C 0.048 174.170 174.600 -0.798 0.000 1.153 322 S CA -1.100 56.727 58.200 -0.622 0.000 0.835 322 S CB 1.695 64.722 63.200 -0.288 0.000 1.122 322 S HN 0.764 nan 8.310 nan 0.000 0.462 323 K N 0.139 120.292 120.400 -0.411 0.000 2.519 323 K HA -0.082 4.239 4.320 0.001 0.000 0.196 323 K C 0.406 176.876 176.600 -0.216 0.000 1.041 323 K CA 1.441 57.567 56.287 -0.269 0.000 0.954 323 K CB -0.434 32.002 32.500 -0.106 0.000 0.774 323 K HN 0.642 nan 8.250 nan 0.000 0.480 324 D N 0.676 120.939 120.400 -0.228 0.000 2.117 324 D HA -0.176 4.465 4.640 0.001 0.000 0.197 324 D C 1.505 177.713 176.300 -0.153 0.000 0.987 324 D CA 1.009 54.913 54.000 -0.159 0.000 0.829 324 D CB -0.035 40.679 40.800 -0.144 0.000 0.961 324 D HN 0.166 nan 8.370 nan 0.000 0.460 325 L N 0.791 121.887 121.223 -0.212 0.000 2.263 325 L HA -0.232 4.109 4.340 0.001 0.000 0.216 325 L C 2.466 179.296 176.870 -0.067 0.000 1.111 325 L CA 0.925 55.680 54.840 -0.141 0.000 0.773 325 L CB -0.663 41.303 42.059 -0.155 0.000 0.906 325 L HN 0.186 nan 8.230 nan 0.000 0.439 326 Q N 0.677 120.439 119.800 -0.063 0.000 2.197 326 Q HA -0.245 4.096 4.340 0.001 0.000 0.207 326 Q C 1.673 177.663 176.000 -0.017 0.000 0.984 326 Q CA 1.483 57.281 55.803 -0.009 0.000 0.869 326 Q CB 0.025 28.759 28.738 -0.007 0.000 0.906 326 Q HN 0.501 nan 8.270 nan 0.000 0.426 327 E N 1.362 121.537 120.200 -0.041 0.000 2.401 327 E HA -0.166 4.185 4.350 0.001 0.000 0.199 327 E C 1.439 178.012 176.600 -0.045 0.000 1.023 327 E CA 1.180 57.554 56.400 -0.043 0.000 0.859 327 E CB -0.122 29.544 29.700 -0.057 0.000 0.780 327 E HN 0.685 nan 8.360 nan 0.000 0.523 328 D N 1.185 121.557 120.400 -0.046 0.000 2.144 328 D HA -0.190 4.451 4.640 0.001 0.000 0.199 328 D C 1.585 177.868 176.300 -0.028 0.000 0.984 328 D CA 0.995 54.960 54.000 -0.058 0.000 0.834 328 D CB -0.334 40.419 40.800 -0.079 0.000 0.955 328 D HN 0.086 nan 8.370 nan 0.000 0.465 329 K N 0.516 120.916 120.400 -0.000 0.000 1.978 329 K HA -0.165 4.155 4.320 0.001 0.000 0.214 329 K C 2.378 178.981 176.600 0.006 0.000 1.049 329 K CA 1.672 57.969 56.287 0.016 0.000 0.939 329 K CB -0.186 32.329 32.500 0.025 0.000 0.721 329 K HN 0.261 nan 8.250 nan 0.000 0.441 330 E N 0.332 120.530 120.200 -0.003 0.000 2.058 330 E HA -0.231 4.120 4.350 0.001 0.000 0.194 330 E C 2.089 178.682 176.600 -0.013 0.000 0.997 330 E CA 1.207 57.603 56.400 -0.007 0.000 0.801 330 E CB -0.174 29.519 29.700 -0.012 0.000 0.746 330 E HN 0.359 nan 8.360 nan 0.000 0.450 331 A N 0.870 123.674 122.820 -0.025 0.000 1.865 331 A HA -0.183 4.138 4.320 0.001 0.000 0.217 331 A C 2.454 180.023 177.584 -0.026 0.000 1.191 331 A CA 1.556 53.572 52.037 -0.035 0.000 0.623 331 A CB -0.886 18.081 19.000 -0.055 0.000 0.826 331 A HN 0.221 nan 8.150 nan 0.000 0.444 332 V N -0.091 119.810 119.914 -0.021 0.000 2.515 332 V HA -0.141 3.980 4.120 0.001 0.000 0.250 332 V C 2.360 178.461 176.094 0.012 0.000 1.058 332 V CA 1.752 64.049 62.300 -0.005 0.000 1.064 332 V CB -0.355 31.469 31.823 0.003 0.000 0.675 332 V HN 0.572 nan 8.190 nan 0.000 0.461 333 L N -0.256 120.976 121.223 0.014 0.000 2.156 333 L HA -0.091 4.250 4.340 0.001 0.000 0.208 333 L C 2.318 179.196 176.870 0.014 0.000 1.095 333 L CA 1.804 56.655 54.840 0.019 0.000 0.770 333 L CB -0.614 41.456 42.059 0.019 0.000 0.914 333 L HN 0.398 nan 8.230 nan 0.000 0.439 334 D N 0.042 120.445 120.400 0.005 0.000 2.117 334 D HA -0.154 4.487 4.640 0.001 0.000 0.197 334 D C 2.135 178.439 176.300 0.006 0.000 0.987 334 D CA 1.022 55.024 54.000 0.003 0.000 0.829 334 D CB 0.178 40.975 40.800 -0.005 0.000 0.961 334 D HN -0.011 nan 8.370 nan 0.000 0.460 335 V N 0.518 120.435 119.914 0.005 0.000 2.295 335 V HA -0.233 3.887 4.120 0.001 0.000 0.246 335 V C 2.758 178.863 176.094 0.019 0.000 1.049 335 V CA 1.805 64.111 62.300 0.010 0.000 1.024 335 V CB -0.633 31.193 31.823 0.006 0.000 0.648 335 V HN 0.368 nan 8.190 nan 0.000 0.447 336 V N -1.226 118.702 119.914 0.024 0.000 2.358 336 V HA -0.211 3.910 4.120 0.001 0.000 0.246 336 V C 2.099 178.212 176.094 0.033 0.000 1.047 336 V CA 2.346 64.666 62.300 0.034 0.000 1.035 336 V CB -0.948 30.899 31.823 0.040 0.000 0.658 336 V HN 0.449 nan 8.190 nan 0.000 0.452 337 D N 0.689 121.104 120.400 0.026 0.000 2.117 337 D HA -0.101 4.540 4.640 0.001 0.000 0.197 337 D C 2.344 178.652 176.300 0.014 0.000 0.987 337 D CA 2.122 56.135 54.000 0.021 0.000 0.829 337 D CB -0.612 40.197 40.800 0.017 0.000 0.961 337 D HN 0.544 nan 8.370 nan 0.000 0.460 338 T N 1.346 115.908 114.554 0.013 0.000 2.643 338 T HA -0.133 4.218 4.350 0.001 0.000 0.264 338 T C 1.927 176.632 174.700 0.008 0.000 1.045 338 T CA 0.489 62.594 62.100 0.009 0.000 1.155 338 T CB -0.435 68.439 68.868 0.010 0.000 0.863 338 T HN -0.008 nan 8.240 nan 0.000 0.420 339 L N 1.139 122.372 121.223 0.016 0.000 2.013 339 L HA -0.146 4.195 4.340 0.001 0.000 0.212 339 L C 2.672 179.552 176.870 0.018 0.000 1.073 339 L CA 1.928 56.780 54.840 0.020 0.000 0.753 339 L CB -1.377 40.700 42.059 0.031 0.000 0.890 339 L HN 0.272 nan 8.230 nan 0.000 0.432 340 T N -0.569 114.001 114.554 0.027 0.000 2.720 340 T HA -0.215 4.136 4.350 0.001 0.000 0.268 340 T C 1.848 176.497 174.700 -0.085 0.000 1.037 340 T CA 1.479 63.588 62.100 0.016 0.000 1.144 340 T CB -0.487 68.415 68.868 0.056 0.000 0.864 340 T HN 0.511 nan 8.240 nan 0.000 0.444 341 A N 0.752 123.543 122.820 -0.049 0.000 1.872 341 A HA 0.009 4.330 4.320 0.001 0.000 0.214 341 A C 2.599 180.154 177.584 -0.048 0.000 1.187 341 A CA 1.114 53.118 52.037 -0.055 0.000 0.614 341 A CB -1.004 17.984 19.000 -0.020 0.000 0.826 341 A HN 0.327 nan 8.150 nan 0.000 0.442 342 V N 0.293 120.191 119.914 -0.027 0.000 2.332 342 V HA -0.282 3.839 4.120 0.001 0.000 0.248 342 V C 2.590 178.661 176.094 -0.038 0.000 1.055 342 V CA 2.068 64.355 62.300 -0.022 0.000 1.038 342 V CB -0.709 31.108 31.823 -0.009 0.000 0.651 342 V HN 0.570 nan 8.190 nan 0.000 0.450 343 L N -0.836 120.362 121.223 -0.041 0.000 2.046 343 L HA -0.247 4.094 4.340 0.001 0.000 0.208 343 L C 2.656 179.484 176.870 -0.070 0.000 1.077 343 L CA 1.676 56.495 54.840 -0.036 0.000 0.747 343 L CB -0.527 41.538 42.059 0.011 0.000 0.896 343 L HN 0.386 nan 8.230 nan 0.000 0.432 344 Q N -0.855 118.864 119.800 -0.136 0.000 2.119 344 Q HA -0.155 4.186 4.340 0.001 0.000 0.201 344 Q C 2.319 178.285 176.000 -0.057 0.000 0.972 344 Q CA 1.246 56.969 55.803 -0.133 0.000 0.847 344 Q CB -0.033 28.578 28.738 -0.211 0.000 0.903 344 Q HN 0.342 nan 8.270 nan 0.000 0.433 345 V N 0.765 120.656 119.914 -0.039 0.000 2.427 345 V HA -0.240 3.881 4.120 0.001 0.000 0.248 345 V C 2.209 178.199 176.094 -0.174 0.000 1.051 345 V CA 1.676 63.966 62.300 -0.018 0.000 1.048 345 V CB -0.857 30.991 31.823 0.041 0.000 0.666 345 V HN 0.378 nan 8.190 nan 0.000 0.456 346 A N -0.084 122.661 122.820 -0.126 0.000 1.902 346 A HA -0.225 4.096 4.320 0.001 0.000 0.217 346 A C 2.406 179.891 177.584 -0.164 0.000 1.181 346 A CA 2.507 54.456 52.037 -0.146 0.000 0.623 346 A CB -0.952 17.993 19.000 -0.091 0.000 0.818 346 A HN 0.498 nan 8.150 nan 0.000 0.443 347 T N -0.220 114.266 114.554 -0.113 0.000 2.746 347 T HA -0.049 4.302 4.350 0.001 0.000 0.267 347 T C 1.984 176.618 174.700 -0.111 0.000 1.039 347 T CA 1.474 63.526 62.100 -0.079 0.000 1.142 347 T CB -0.682 68.172 68.868 -0.024 0.000 0.866 347 T HN 0.589 nan 8.240 nan 0.000 0.444 348 G N 1.098 109.801 108.800 -0.161 0.000 2.446 348 G HA2 -0.184 3.777 3.960 0.001 0.000 0.217 348 G HA3 -0.184 3.777 3.960 0.001 0.000 0.217 348 G C 1.715 176.352 174.900 -0.439 0.000 1.168 348 G CA 0.908 45.905 45.100 -0.172 0.000 0.771 348 G HN 0.427 nan 8.290 nan 0.000 0.551 349 V N 1.495 120.929 119.914 -0.800 0.000 2.287 349 V HA -0.156 3.965 4.120 0.001 0.000 0.248 349 V C 2.785 178.772 176.094 -0.178 0.000 1.053 349 V CA 1.285 63.242 62.300 -0.571 0.000 1.027 349 V CB -0.323 31.231 31.823 -0.449 0.000 0.646 349 V HN 0.294 nan 8.190 nan 0.000 0.447 350 I N 1.081 121.574 120.570 -0.129 0.000 2.394 350 I HA -0.145 4.026 4.170 0.001 0.000 0.251 350 I C 2.541 178.677 176.117 0.032 0.000 1.136 350 I CA 2.142 63.431 61.300 -0.018 0.000 1.425 350 I CB -1.104 36.872 38.000 -0.039 0.000 1.079 350 I HN 0.563 nan 8.210 nan 0.000 0.425 351 S N -0.519 115.187 115.700 0.010 0.000 2.501 351 S HA -0.042 4.429 4.470 0.001 0.000 0.220 351 S C 1.647 176.289 174.600 0.071 0.000 0.997 351 S CA 0.826 59.055 58.200 0.048 0.000 0.919 351 S CB -0.484 62.740 63.200 0.041 0.000 0.778 351 S HN 0.540 nan 8.310 nan 0.000 0.523 352 T N 0.150 114.749 114.554 0.076 0.000 3.023 352 T HA 0.423 4.774 4.350 0.001 0.000 0.253 352 T C 0.425 175.189 174.700 0.106 0.000 1.038 352 T CA -0.415 61.749 62.100 0.107 0.000 0.962 352 T CB -0.649 68.322 68.868 0.171 0.000 1.018 352 T HN 0.404 nan 8.240 nan 0.000 0.521 353 L N 0.594 121.877 121.223 0.101 0.000 2.464 353 L HA 0.566 4.907 4.340 0.001 0.000 0.264 353 L C -0.329 176.594 176.870 0.089 0.000 1.199 353 L CA -0.412 54.491 54.840 0.105 0.000 0.818 353 L CB 0.008 42.142 42.059 0.126 0.000 1.102 353 L HN 0.047 nan 8.230 nan 0.000 0.473 354 Q N 2.648 122.483 119.800 0.059 0.000 2.333 354 Q HA 0.641 4.982 4.340 0.001 0.000 0.267 354 Q C -0.721 175.254 176.000 -0.042 0.000 1.012 354 Q CA -0.682 55.130 55.803 0.016 0.000 0.824 354 Q CB 2.577 31.324 28.738 0.014 0.000 1.290 354 Q HN 0.795 nan 8.270 nan 0.000 0.449 355 I N -0.492 120.000 120.570 -0.129 0.000 2.488 355 I HA 0.428 4.599 4.170 0.001 0.000 0.299 355 I C -0.528 175.477 176.117 -0.186 0.000 0.984 355 I CA -0.837 60.292 61.300 -0.285 0.000 1.250 355 I CB 1.100 38.740 38.000 -0.601 0.000 1.389 355 I HN 0.379 nan 8.210 nan 0.000 0.488 356 N N 5.686 124.293 118.700 -0.156 0.000 2.817 356 N HA 0.200 4.941 4.740 0.001 0.000 0.234 356 N C 0.205 175.647 175.510 -0.112 0.000 1.066 356 N CA -0.451 52.549 53.050 -0.084 0.000 0.926 356 N CB 1.573 40.053 38.487 -0.011 0.000 1.176 356 N HN 0.657 nan 8.380 nan 0.000 0.506 357 K N 1.148 121.465 120.400 -0.139 0.000 2.074 357 K HA -0.189 4.132 4.320 0.001 0.000 0.209 357 K C 1.164 177.708 176.600 -0.092 0.000 1.048 357 K CA 1.355 57.556 56.287 -0.143 0.000 0.926 357 K CB 0.268 32.701 32.500 -0.112 0.000 0.713 357 K HN 0.499 nan 8.250 nan 0.000 0.444 358 E N 0.596 120.763 120.200 -0.054 0.000 2.085 358 E HA -0.167 4.184 4.350 0.001 0.000 0.194 358 E C 1.807 178.402 176.600 -0.008 0.000 0.994 358 E CA 0.974 57.357 56.400 -0.028 0.000 0.801 358 E CB -0.081 29.610 29.700 -0.016 0.000 0.743 358 E HN 0.318 nan 8.360 nan 0.000 0.453 359 N N 0.326 119.039 118.700 0.021 0.000 2.270 359 N HA -0.071 4.670 4.740 0.001 0.000 0.181 359 N C 1.788 177.378 175.510 0.133 0.000 1.016 359 N CA 0.940 54.052 53.050 0.103 0.000 0.870 359 N CB -0.064 38.524 38.487 0.168 0.000 0.979 359 N HN 0.223 nan 8.380 nan 0.000 0.431 360 M N 0.805 120.376 119.600 -0.048 0.000 2.132 360 M HA -0.079 4.402 4.480 0.001 0.000 0.263 360 M C 1.754 177.951 176.300 -0.172 0.000 1.065 360 M CA 1.313 56.426 55.300 -0.312 0.000 1.122 360 M CB -0.189 32.129 32.600 -0.469 0.000 1.365 360 M HN 0.098 nan 8.290 nan 0.000 0.411 361 E N 0.555 120.694 120.200 -0.100 0.000 2.047 361 E HA -0.156 4.195 4.350 0.001 0.000 0.191 361 E C 1.914 178.496 176.600 -0.030 0.000 0.987 361 E CA 1.000 57.362 56.400 -0.063 0.000 0.799 361 E CB -0.083 29.589 29.700 -0.048 0.000 0.752 361 E HN 0.455 nan 8.360 nan 0.000 0.449 362 K N 0.511 120.906 120.400 -0.007 0.000 2.209 362 K HA -0.082 4.239 4.320 0.001 0.000 0.204 362 K C 1.932 178.543 176.600 0.018 0.000 1.048 362 K CA 0.945 57.237 56.287 0.007 0.000 0.940 362 K CB -0.022 32.487 32.500 0.015 0.000 0.729 362 K HN 0.044 nan 8.250 nan 0.000 0.451 363 A N 0.625 123.471 122.820 0.044 0.000 2.206 363 A HA 0.005 4.326 4.320 0.001 0.000 0.211 363 A C 0.544 178.129 177.584 0.002 0.000 1.158 363 A CA 0.301 52.376 52.037 0.065 0.000 0.761 363 A CB 0.075 19.206 19.000 0.218 0.000 0.801 363 A HN 0.056 nan 8.150 nan 0.000 0.473 364 L N 2.519 123.730 121.223 -0.021 0.000 2.334 364 L HA 0.245 4.585 4.340 0.001 0.000 0.286 364 L C 0.679 177.542 176.870 -0.013 0.000 1.108 364 L CA 0.434 55.256 54.840 -0.031 0.000 0.875 364 L CB -0.187 41.851 42.059 -0.036 0.000 1.246 364 L HN 0.349 nan 8.230 nan 0.000 0.439 365 T N 1.130 115.677 114.554 -0.011 0.000 2.929 365 T HA 0.471 4.822 4.350 0.001 0.000 0.284 365 T C -1.761 172.950 174.700 0.018 0.000 1.014 365 T CA -1.954 60.146 62.100 -0.001 0.000 1.051 365 T CB 1.491 70.355 68.868 -0.006 0.000 1.028 365 T HN 0.208 nan 8.240 nan 0.000 0.485 366 P HA -0.252 nan 4.420 nan 0.000 0.217 366 P C 1.766 179.118 177.300 0.087 0.000 1.158 366 P CA 1.404 64.547 63.100 0.072 0.000 0.887 366 P CB 0.025 31.745 31.700 0.033 0.000 0.792 367 E N -0.310 119.920 120.200 0.051 0.000 2.267 367 E HA -0.189 4.162 4.350 0.001 0.000 0.197 367 E C 1.603 178.230 176.600 0.045 0.000 0.998 367 E CA 1.203 57.633 56.400 0.051 0.000 0.830 367 E CB -1.212 28.506 29.700 0.030 0.000 0.751 367 E HN 0.206 nan 8.360 nan 0.000 0.491 368 L N 0.611 121.853 121.223 0.031 0.000 2.456 368 L HA -0.061 4.280 4.340 0.001 0.000 0.224 368 L C 2.023 178.911 176.870 0.030 0.000 1.148 368 L CA 0.878 55.727 54.840 0.016 0.000 0.825 368 L CB -0.263 41.791 42.059 -0.008 0.000 0.937 368 L HN 0.182 nan 8.230 nan 0.000 0.450 369 L N -1.544 119.708 121.223 0.048 0.000 2.607 369 L HA 0.146 4.487 4.340 0.001 0.000 0.228 369 L C 2.354 179.232 176.870 0.012 0.000 1.123 369 L CA 0.810 55.663 54.840 0.022 0.000 0.890 369 L CB -1.212 40.856 42.059 0.016 0.000 1.103 369 L HN 0.391 nan 8.230 nan 0.000 0.468 370 S N -1.229 114.501 115.700 0.051 0.000 2.400 370 S HA -0.184 4.287 4.470 0.001 0.000 0.232 370 S C 1.863 176.494 174.600 0.050 0.000 1.025 370 S CA 1.799 60.036 58.200 0.061 0.000 0.993 370 S CB -0.482 62.760 63.200 0.070 0.000 0.808 370 S HN 0.362 nan 8.310 nan 0.000 0.478 371 T N 2.054 116.636 114.554 0.046 0.000 2.857 371 T HA -0.036 4.315 4.350 0.001 0.000 0.266 371 T C 1.346 176.070 174.700 0.041 0.000 1.048 371 T CA 1.370 63.501 62.100 0.051 0.000 1.139 371 T CB -0.511 68.395 68.868 0.064 0.000 0.874 371 T HN 0.456 nan 8.240 nan 0.000 0.455 372 D N 1.013 121.423 120.400 0.017 0.000 2.178 372 D HA -0.020 4.621 4.640 0.001 0.000 0.202 372 D C 1.983 178.280 176.300 -0.006 0.000 0.974 372 D CA 0.483 54.477 54.000 -0.011 0.000 0.841 372 D CB -0.284 40.483 40.800 -0.055 0.000 0.953 372 D HN 0.202 nan 8.370 nan 0.000 0.478 373 L N 0.896 122.105 121.223 -0.023 0.000 2.131 373 L HA -0.079 4.262 4.340 0.001 0.000 0.210 373 L C 2.097 179.060 176.870 0.156 0.000 1.092 373 L CA 1.315 56.172 54.840 0.030 0.000 0.759 373 L CB -0.504 41.582 42.059 0.045 0.000 0.903 373 L HN -0.061 nan 8.230 nan 0.000 0.435 374 A N -1.210 121.673 122.820 0.106 0.000 1.897 374 A HA -0.068 4.253 4.320 0.001 0.000 0.215 374 A C 2.028 179.649 177.584 0.061 0.000 1.181 374 A CA 1.197 53.286 52.037 0.088 0.000 0.620 374 A CB -0.602 18.436 19.000 0.064 0.000 0.821 374 A HN 0.338 nan 8.150 nan 0.000 0.443 375 L N -1.285 119.968 121.223 0.049 0.000 2.083 375 L HA -0.174 4.167 4.340 0.001 0.000 0.209 375 L C 2.386 179.266 176.870 0.016 0.000 1.083 375 L CA 2.017 56.863 54.840 0.011 0.000 0.752 375 L CB -1.778 40.271 42.059 -0.016 0.000 0.899 375 L HN 0.682 nan 8.230 nan 0.000 0.433 376 Y N 0.539 120.802 120.300 -0.061 0.000 2.128 376 Y HA -0.258 4.293 4.550 0.001 0.000 0.284 376 Y C 2.518 178.363 175.900 -0.092 0.000 1.154 376 Y CA 1.647 59.709 58.100 -0.063 0.000 1.149 376 Y CB -0.211 38.231 38.460 -0.030 0.000 0.976 376 Y HN 0.048 nan 8.280 nan 0.000 0.505 377 L N -1.054 120.173 121.223 0.006 0.000 2.056 377 L HA -0.204 4.136 4.340 0.001 0.000 0.207 377 L C 2.407 179.172 176.870 -0.176 0.000 1.078 377 L CA 1.019 55.760 54.840 -0.166 0.000 0.749 377 L CB -0.750 41.226 42.059 -0.139 0.000 0.901 377 L HN 0.150 nan 8.230 nan 0.000 0.433 378 V N 0.051 119.901 119.914 -0.108 0.000 2.332 378 V HA -0.286 3.834 4.120 0.001 0.000 0.248 378 V C 2.579 178.597 176.094 -0.127 0.000 1.055 378 V CA 1.747 63.990 62.300 -0.095 0.000 1.038 378 V CB -0.622 31.165 31.823 -0.059 0.000 0.651 378 V HN 0.438 nan 8.190 nan 0.000 0.450 379 R N -0.170 120.230 120.500 -0.166 0.000 2.189 379 R HA -0.052 4.289 4.340 0.001 0.000 0.223 379 R C 1.751 177.919 176.300 -0.219 0.000 1.092 379 R CA 0.549 56.540 56.100 -0.182 0.000 0.989 379 R CB -0.153 30.028 30.300 -0.199 0.000 0.876 379 R HN 0.337 nan 8.270 nan 0.000 0.457 380 K N -0.206 120.025 120.400 -0.281 0.000 2.458 380 K HA 0.088 4.409 4.320 0.001 0.000 0.194 380 K C 0.948 177.447 176.600 -0.168 0.000 1.024 380 K CA 0.599 56.729 56.287 -0.263 0.000 1.108 380 K CB 0.856 33.147 32.500 -0.349 0.000 0.846 380 K HN 0.427 nan 8.250 nan 0.000 0.518 381 G N 1.303 110.020 108.800 -0.138 0.000 2.194 381 G HA2 -0.275 3.686 3.960 0.001 0.000 0.236 381 G HA3 -0.275 3.686 3.960 0.001 0.000 0.236 381 G C 0.177 175.025 174.900 -0.085 0.000 0.987 381 G CA 0.181 45.223 45.100 -0.098 0.000 0.635 381 G HN 0.360 nan 8.290 nan 0.000 0.520 382 M N 3.183 122.722 119.600 -0.100 0.000 2.217 382 M HA 0.406 4.887 4.480 0.001 0.000 0.354 382 M C -1.708 174.556 176.300 -0.060 0.000 1.225 382 M CA -1.648 53.604 55.300 -0.080 0.000 1.137 382 M CB 0.786 33.328 32.600 -0.097 0.000 1.576 382 M HN 0.064 nan 8.290 nan 0.000 0.461 383 P HA -0.033 nan 4.420 nan 0.000 0.268 383 P C 0.540 177.826 177.300 -0.024 0.000 1.205 383 P CA -0.084 62.998 63.100 -0.030 0.000 0.771 383 P CB 0.575 32.262 31.700 -0.022 0.000 0.858 384 I N 3.611 124.171 120.570 -0.018 0.000 2.113 384 I HA -0.284 3.887 4.170 0.001 0.000 0.242 384 I C 2.611 178.729 176.117 0.001 0.000 1.064 384 I CA 1.771 63.066 61.300 -0.008 0.000 1.320 384 I CB -0.592 37.407 38.000 -0.002 0.000 1.028 384 I HN 0.419 nan 8.210 nan 0.000 0.406 385 R N -0.069 120.432 120.500 0.001 0.000 2.103 385 R HA -0.244 4.097 4.340 0.001 0.000 0.242 385 R C 2.289 178.594 176.300 0.009 0.000 1.142 385 R CA 2.235 58.339 56.100 0.006 0.000 0.960 385 R CB -0.301 30.001 30.300 0.004 0.000 0.858 385 R HN 0.591 nan 8.270 nan 0.000 0.439 386 Q N -0.639 119.162 119.800 0.002 0.000 2.123 386 Q HA -0.042 4.299 4.340 0.001 0.000 0.199 386 Q C 2.164 178.169 176.000 0.009 0.000 0.966 386 Q CA 1.217 57.022 55.803 0.004 0.000 0.845 386 Q CB -0.044 28.690 28.738 -0.006 0.000 0.907 386 Q HN 0.421 nan 8.270 nan 0.000 0.439 387 A N 1.211 124.031 122.820 -0.001 0.000 1.940 387 A HA -0.267 4.054 4.320 0.001 0.000 0.219 387 A C 1.977 179.585 177.584 0.041 0.000 1.176 387 A CA 1.514 53.554 52.037 0.005 0.000 0.631 387 A CB -0.415 18.580 19.000 -0.009 0.000 0.814 387 A HN 0.340 nan 8.150 nan 0.000 0.446 388 Q N -0.815 119.007 119.800 0.036 0.000 2.079 388 Q HA -0.128 4.213 4.340 0.001 0.000 0.200 388 Q C 2.373 178.405 176.000 0.055 0.000 0.974 388 Q CA 2.019 57.851 55.803 0.047 0.000 0.840 388 Q CB -0.370 28.389 28.738 0.035 0.000 0.898 388 Q HN 0.904 nan 8.270 nan 0.000 0.430 389 T N -1.244 113.337 114.554 0.045 0.000 2.788 389 T HA -0.055 4.296 4.350 0.001 0.000 0.268 389 T C 1.954 176.697 174.700 0.071 0.000 1.044 389 T CA 0.996 63.124 62.100 0.047 0.000 1.139 389 T CB -0.276 68.612 68.868 0.033 0.000 0.867 389 T HN 0.254 nan 8.240 nan 0.000 0.454 390 A N 1.416 124.287 122.820 0.085 0.000 1.873 390 A HA 0.008 4.329 4.320 0.001 0.000 0.215 390 A C 2.705 180.401 177.584 0.186 0.000 1.186 390 A CA 1.971 54.090 52.037 0.137 0.000 0.616 390 A CB -1.283 17.792 19.000 0.125 0.000 0.823 390 A HN 0.525 nan 8.150 nan 0.000 0.442 391 S N -0.638 115.163 115.700 0.168 0.000 2.383 391 S HA -0.024 4.447 4.470 0.001 0.000 0.227 391 S C 2.010 176.685 174.600 0.125 0.000 1.026 391 S CA 1.613 59.915 58.200 0.171 0.000 0.981 391 S CB -0.630 62.652 63.200 0.138 0.000 0.818 391 S HN 0.696 nan 8.310 nan 0.000 0.472 392 G N 1.048 109.909 108.800 0.100 0.000 2.422 392 G HA2 -0.168 3.793 3.960 0.001 0.000 0.218 392 G HA3 -0.168 3.793 3.960 0.001 0.000 0.218 392 G C 1.544 176.508 174.900 0.106 0.000 1.146 392 G CA 0.664 45.816 45.100 0.086 0.000 0.769 392 G HN 0.526 nan 8.290 nan 0.000 0.547 393 K N 0.533 121.000 120.400 0.112 0.000 2.057 393 K HA 0.058 4.379 4.320 0.001 0.000 0.207 393 K C 2.971 179.647 176.600 0.126 0.000 1.049 393 K CA 0.951 57.317 56.287 0.131 0.000 0.931 393 K CB -0.233 32.337 32.500 0.118 0.000 0.714 393 K HN 0.254 nan 8.250 nan 0.000 0.440 394 A N 1.160 124.041 122.820 0.101 0.000 1.908 394 A HA -0.148 4.173 4.320 0.001 0.000 0.218 394 A C 2.392 180.001 177.584 0.041 0.000 1.181 394 A CA 1.553 53.618 52.037 0.045 0.000 0.627 394 A CB -0.757 18.262 19.000 0.032 0.000 0.818 394 A HN 0.073 nan 8.150 nan 0.000 0.445 395 V N -0.437 119.523 119.914 0.076 0.000 2.255 395 V HA -0.307 3.814 4.120 0.001 0.000 0.247 395 V C 2.520 178.657 176.094 0.072 0.000 1.051 395 V CA 2.618 64.959 62.300 0.069 0.000 1.018 395 V CB -1.021 30.852 31.823 0.083 0.000 0.641 395 V HN 0.868 nan 8.190 nan 0.000 0.445 396 H N -0.272 118.806 119.070 0.014 0.000 2.352 396 H HA -0.180 4.377 4.556 0.002 0.000 0.299 396 H C 1.890 177.217 175.328 -0.001 0.000 1.097 396 H CA 2.169 58.222 56.048 0.008 0.000 1.311 396 H CB -0.267 29.502 29.762 0.012 0.000 1.377 396 H HN 0.265 nan 8.280 nan 0.000 0.504 397 L N 0.318 121.473 121.223 -0.113 0.000 2.083 397 L HA -0.041 4.300 4.340 0.001 0.000 0.209 397 L C 2.471 179.245 176.870 -0.160 0.000 1.083 397 L CA 1.898 56.636 54.840 -0.170 0.000 0.752 397 L CB -1.237 40.786 42.059 -0.059 0.000 0.899 397 L HN 0.419 nan 8.230 nan 0.000 0.433 398 A N -0.961 121.795 122.820 -0.107 0.000 1.902 398 A HA -0.215 4.106 4.320 0.001 0.000 0.217 398 A C 2.158 179.680 177.584 -0.103 0.000 1.181 398 A CA 1.721 53.700 52.037 -0.096 0.000 0.623 398 A CB -0.570 18.388 19.000 -0.070 0.000 0.818 398 A HN 0.585 nan 8.150 nan 0.000 0.443 399 E N -0.514 119.621 120.200 -0.109 0.000 2.038 399 E HA -0.191 4.160 4.350 0.001 0.000 0.195 399 E C 2.299 178.826 176.600 -0.122 0.000 1.000 399 E CA 1.963 58.306 56.400 -0.095 0.000 0.803 399 E CB -0.489 29.173 29.700 -0.064 0.000 0.750 399 E HN 0.840 nan 8.360 nan 0.000 0.448 400 T N -0.031 114.398 114.554 -0.208 0.000 2.803 400 T HA -0.162 4.189 4.350 0.001 0.000 0.269 400 T C 1.558 176.190 174.700 -0.113 0.000 1.052 400 T CA 1.203 63.198 62.100 -0.176 0.000 1.136 400 T CB -0.196 68.519 68.868 -0.256 0.000 0.864 400 T HN 0.050 nan 8.240 nan 0.000 0.467 401 K N 0.877 121.210 120.400 -0.112 0.000 2.444 401 K HA 0.350 4.671 4.320 0.001 0.000 0.193 401 K C 1.531 178.088 176.600 -0.071 0.000 1.024 401 K CA 0.279 56.516 56.287 -0.084 0.000 1.077 401 K CB -0.006 32.443 32.500 -0.086 0.000 0.833 401 K HN 0.511 nan 8.250 nan 0.000 0.517 402 G N 2.654 111.412 108.800 -0.070 0.000 2.179 402 G HA2 -0.276 3.685 3.960 0.001 0.000 0.257 402 G HA3 -0.276 3.685 3.960 0.001 0.000 0.257 402 G C 0.235 175.101 174.900 -0.058 0.000 1.010 402 G CA 0.943 46.010 45.100 -0.056 0.000 0.736 402 G HN 0.493 nan 8.290 nan 0.000 0.513 403 I N -3.410 117.119 120.570 -0.069 0.000 3.522 403 I HA 0.947 5.118 4.170 0.001 0.000 0.292 403 I C 0.473 176.544 176.117 -0.077 0.000 1.147 403 I CA -0.635 60.620 61.300 -0.074 0.000 1.032 403 I CB 1.666 39.613 38.000 -0.089 0.000 1.337 403 I HN 0.181 nan 8.210 nan 0.000 0.496 404 T N -1.186 113.313 114.554 -0.092 0.000 2.925 404 T HA 0.387 4.738 4.350 0.001 0.000 0.285 404 T C 0.781 175.401 174.700 -0.133 0.000 1.021 404 T CA -0.548 61.497 62.100 -0.090 0.000 1.042 404 T CB 2.017 70.835 68.868 -0.083 0.000 1.037 404 T HN 0.619 nan 8.240 nan 0.000 0.481 405 I N 2.050 122.564 120.570 -0.093 0.000 2.236 405 I HA -0.249 3.922 4.170 0.001 0.000 0.249 405 I C 2.231 178.131 176.117 -0.363 0.000 1.102 405 I CA 1.703 62.947 61.300 -0.092 0.000 1.365 405 I CB -0.437 37.615 38.000 0.087 0.000 1.051 405 I HN 0.873 nan 8.210 nan 0.000 0.420 406 N N -0.492 117.862 118.700 -0.576 0.000 2.515 406 N HA -0.125 4.616 4.740 0.001 0.000 0.185 406 N C 0.892 175.971 175.510 -0.719 0.000 1.109 406 N CA 0.721 53.014 53.050 -1.262 0.000 0.903 406 N CB -0.662 37.312 38.487 -0.854 0.000 0.969 406 N HN 0.422 nan 8.380 nan 0.000 0.450 407 N N 0.369 118.821 118.700 -0.414 0.000 2.236 407 N HA 0.185 4.926 4.740 0.001 0.000 0.196 407 N C 0.155 175.528 175.510 -0.230 0.000 1.114 407 N CA -0.111 52.776 53.050 -0.271 0.000 0.859 407 N CB 0.780 39.158 38.487 -0.183 0.000 0.982 407 N HN 0.254 nan 8.380 nan 0.000 0.493 408 L N 1.535 122.604 121.223 -0.257 0.000 2.456 408 L HA 0.052 4.393 4.340 0.001 0.000 0.272 408 L C 1.265 178.025 176.870 -0.183 0.000 1.189 408 L CA -0.020 54.703 54.840 -0.196 0.000 0.846 408 L CB 0.381 42.322 42.059 -0.197 0.000 1.111 408 L HN 0.103 nan 8.230 nan 0.000 0.475 409 T N -0.372 114.101 114.554 -0.135 0.000 2.874 409 T HA 0.164 4.515 4.350 0.001 0.000 0.281 409 T C 0.872 175.510 174.700 -0.105 0.000 0.994 409 T CA -0.819 61.218 62.100 -0.106 0.000 1.015 409 T CB 1.158 69.982 68.868 -0.074 0.000 1.028 409 T HN 0.458 nan 8.240 nan 0.000 0.523 410 L N 0.705 121.886 121.223 -0.071 0.000 2.131 410 L HA 0.043 4.384 4.340 0.001 0.000 0.210 410 L C 2.300 179.152 176.870 -0.029 0.000 1.092 410 L CA 1.814 56.626 54.840 -0.047 0.000 0.759 410 L CB -1.182 40.875 42.059 -0.002 0.000 0.903 410 L HN 0.777 nan 8.230 nan 0.000 0.435 411 E N -0.367 119.817 120.200 -0.026 0.000 2.072 411 E HA -0.170 4.181 4.350 0.001 0.000 0.191 411 E C 1.937 178.524 176.600 -0.022 0.000 0.985 411 E CA 1.192 57.586 56.400 -0.011 0.000 0.801 411 E CB -0.335 29.357 29.700 -0.012 0.000 0.750 411 E HN 0.457 nan 8.360 nan 0.000 0.452 412 D N 0.102 120.470 120.400 -0.053 0.000 2.104 412 D HA -0.136 4.505 4.640 0.001 0.000 0.194 412 D C 1.958 178.209 176.300 -0.082 0.000 0.994 412 D CA 0.903 54.863 54.000 -0.067 0.000 0.830 412 D CB -0.171 40.571 40.800 -0.097 0.000 0.959 412 D HN 0.156 nan 8.370 nan 0.000 0.452 413 L N 0.406 121.534 121.223 -0.157 0.000 2.093 413 L HA -0.117 4.224 4.340 0.001 0.000 0.208 413 L C 2.368 179.258 176.870 0.034 0.000 1.085 413 L CA 0.993 55.660 54.840 -0.289 0.000 0.755 413 L CB -0.195 41.444 42.059 -0.700 0.000 0.904 413 L HN -0.049 nan 8.230 nan 0.000 0.435 414 K N -0.099 120.351 120.400 0.084 0.000 2.211 414 K HA -0.129 4.192 4.320 0.001 0.000 0.203 414 K C 2.316 178.992 176.600 0.127 0.000 1.050 414 K CA 1.490 57.875 56.287 0.162 0.000 0.945 414 K CB -0.115 32.449 32.500 0.107 0.000 0.732 414 K HN 0.366 nan 8.250 nan 0.000 0.451 415 S N 0.673 116.420 115.700 0.078 0.000 2.442 415 S HA -0.093 4.378 4.470 0.001 0.000 0.236 415 S C 1.857 176.511 174.600 0.090 0.000 1.007 415 S CA 0.829 59.067 58.200 0.064 0.000 0.965 415 S CB -0.308 62.913 63.200 0.035 0.000 0.773 415 S HN 0.206 nan 8.310 nan 0.000 0.504 416 I N 0.307 120.957 120.570 0.133 0.000 2.494 416 I HA 0.160 4.331 4.170 0.001 0.000 0.250 416 I C 1.004 177.242 176.117 0.201 0.000 1.112 416 I CA 0.550 61.953 61.300 0.171 0.000 1.438 416 I CB 0.239 38.367 38.000 0.215 0.000 1.111 416 I HN 0.343 nan 8.210 nan 0.000 0.431 417 S N 0.304 116.176 115.700 0.285 0.000 2.626 417 S HA 0.298 4.768 4.470 0.001 0.000 0.275 417 S C -2.264 172.454 174.600 0.196 0.000 1.175 417 S CA -1.048 57.258 58.200 0.176 0.000 0.982 417 S CB 1.570 64.794 63.200 0.039 0.000 1.093 417 S HN -0.119 nan 8.310 nan 0.000 0.472 418 P HA 0.011 nan 4.420 nan 0.000 0.234 418 P C 1.262 178.609 177.300 0.079 0.000 1.167 418 P CA 0.204 63.364 63.100 0.100 0.000 0.763 418 P CB 0.156 31.891 31.700 0.059 0.000 0.835 419 L N -1.276 119.954 121.223 0.013 0.000 2.376 419 L HA 0.142 4.483 4.340 0.001 0.000 0.219 419 L C 1.020 177.889 176.870 -0.002 0.000 1.133 419 L CA 0.558 55.364 54.840 -0.058 0.000 0.816 419 L CB -1.053 40.904 42.059 -0.170 0.000 0.933 419 L HN -0.231 nan 8.230 nan 0.000 0.449 420 F N -0.480 119.561 119.950 0.151 0.000 2.506 420 F HA 0.416 4.944 4.527 0.001 0.000 0.351 420 F C 0.807 176.706 175.800 0.166 0.000 1.136 420 F CA 0.255 58.381 58.000 0.209 0.000 1.298 420 F CB 0.274 39.339 39.000 0.109 0.000 1.145 420 F HN -0.015 nan 8.300 nan 0.000 0.593 421 A N 0.998 124.077 122.820 0.432 0.000 2.552 421 A HA 0.532 4.852 4.320 0.001 0.000 0.288 421 A C 0.641 178.344 177.584 0.198 0.000 1.193 421 A CA -0.245 51.950 52.037 0.262 0.000 0.713 421 A CB 0.613 19.750 19.000 0.228 0.000 1.305 421 A HN 0.534 nan 8.150 nan 0.000 0.424 422 S N 0.617 116.398 115.700 0.135 0.000 2.400 422 S HA -0.157 4.314 4.470 0.001 0.000 0.232 422 S C 1.276 175.937 174.600 0.101 0.000 1.025 422 S CA 1.884 60.140 58.200 0.094 0.000 0.993 422 S CB -0.421 62.821 63.200 0.070 0.000 0.808 422 S HN 0.861 nan 8.310 nan 0.000 0.478 423 D N 1.163 121.652 120.400 0.148 0.000 2.371 423 D HA -0.002 4.639 4.640 0.001 0.000 0.221 423 D C 1.551 177.935 176.300 0.141 0.000 0.986 423 D CA 0.167 54.265 54.000 0.163 0.000 0.899 423 D CB -0.657 40.267 40.800 0.206 0.000 0.902 423 D HN 0.295 nan 8.370 nan 0.000 0.530 424 V N 1.276 121.203 119.914 0.021 0.000 2.720 424 V HA -0.235 3.886 4.120 0.001 0.000 0.256 424 V C 2.197 178.219 176.094 -0.119 0.000 1.082 424 V CA 2.184 64.266 62.300 -0.365 0.000 1.101 424 V CB -0.754 30.865 31.823 -0.341 0.000 0.693 424 V HN 0.419 nan 8.190 nan 0.000 0.479 425 S N -0.859 114.873 115.700 0.053 0.000 2.442 425 S HA -0.212 4.259 4.470 0.001 0.000 0.236 425 S C 1.731 176.408 174.600 0.128 0.000 1.007 425 S CA 1.033 59.334 58.200 0.169 0.000 0.965 425 S CB -0.396 62.866 63.200 0.103 0.000 0.773 425 S HN 0.683 nan 8.310 nan 0.000 0.504 426 Q N 0.877 120.702 119.800 0.042 0.000 2.369 426 Q HA 0.127 4.468 4.340 0.001 0.000 0.206 426 Q C 2.282 178.255 176.000 -0.045 0.000 0.963 426 Q CA 0.730 56.548 55.803 0.026 0.000 0.894 426 Q CB -0.673 28.092 28.738 0.045 0.000 0.965 426 Q HN 0.576 nan 8.270 nan 0.000 0.475 427 V N 0.102 119.901 119.914 -0.192 0.000 2.626 427 V HA -0.151 3.969 4.120 0.001 0.000 0.252 427 V C 1.049 176.856 176.094 -0.479 0.000 1.067 427 V CA 1.080 63.144 62.300 -0.394 0.000 1.081 427 V CB -0.539 30.875 31.823 -0.682 0.000 0.686 427 V HN 0.188 nan 8.190 nan 0.000 0.468 428 F N 0.657 120.587 119.950 -0.033 0.000 2.913 428 F HA 0.345 4.873 4.527 0.002 0.000 0.306 428 F C 0.856 176.647 175.800 -0.015 0.000 1.205 428 F CA 0.196 58.179 58.000 -0.027 0.000 1.359 428 F CB -0.005 38.969 39.000 -0.044 0.000 1.260 428 F HN -0.011 nan 8.300 nan 0.000 0.545 429 S N -0.388 115.349 115.700 0.062 0.000 2.605 429 S HA 0.374 4.845 4.470 0.001 0.000 0.308 429 S C 0.862 175.482 174.600 0.033 0.000 1.113 429 S CA -0.635 57.596 58.200 0.053 0.000 1.049 429 S CB 1.233 64.456 63.200 0.038 0.000 1.001 429 S HN 0.050 nan 8.310 nan 0.000 0.480 430 V N 5.469 125.405 119.914 0.036 0.000 2.469 430 V HA -0.119 4.002 4.120 0.001 0.000 0.251 430 V C 2.180 178.293 176.094 0.032 0.000 1.064 430 V CA 1.978 64.296 62.300 0.029 0.000 1.066 430 V CB -0.533 31.300 31.823 0.018 0.000 0.667 430 V HN 0.801 nan 8.190 nan 0.000 0.461 431 V N 0.288 120.220 119.914 0.030 0.000 2.379 431 V HA -0.166 3.955 4.120 0.001 0.000 0.245 431 V C 2.283 178.399 176.094 0.036 0.000 1.044 431 V CA 1.823 64.143 62.300 0.034 0.000 1.036 431 V CB -0.729 31.111 31.823 0.028 0.000 0.664 431 V HN 0.554 nan 8.190 nan 0.000 0.453 432 N N -0.065 118.650 118.700 0.026 0.000 2.223 432 N HA -0.136 4.605 4.740 0.001 0.000 0.185 432 N C 2.143 177.665 175.510 0.020 0.000 1.016 432 N CA 1.634 54.694 53.050 0.017 0.000 0.863 432 N CB -0.346 38.144 38.487 0.005 0.000 0.983 432 N HN 0.426 nan 8.380 nan 0.000 0.429 433 S N 0.666 116.385 115.700 0.032 0.000 2.353 433 S HA -0.112 4.359 4.470 0.001 0.000 0.222 433 S C 2.100 176.793 174.600 0.154 0.000 1.035 433 S CA 1.778 60.016 58.200 0.063 0.000 1.025 433 S CB -0.346 62.893 63.200 0.064 0.000 0.902 433 S HN 0.234 nan 8.310 nan 0.000 0.440 434 V N -0.280 119.726 119.914 0.153 0.000 2.809 434 V HA 0.129 4.250 4.120 0.001 0.000 0.256 434 V C 1.875 178.100 176.094 0.217 0.000 1.080 434 V CA 1.446 63.882 62.300 0.225 0.000 1.102 434 V CB -0.788 31.106 31.823 0.119 0.000 0.705 434 V HN 0.270 nan 8.190 nan 0.000 0.475 435 E N 0.706 120.971 120.200 0.109 0.000 2.516 435 E HA -0.087 4.264 4.350 0.001 0.000 0.199 435 E C 2.136 178.746 176.600 0.016 0.000 1.069 435 E CA 0.706 57.145 56.400 0.065 0.000 0.876 435 E CB -0.049 29.672 29.700 0.035 0.000 0.843 435 E HN 0.793 nan 8.360 nan 0.000 0.530 436 Q N -0.580 119.190 119.800 -0.050 0.000 2.123 436 Q HA -0.089 4.252 4.340 0.001 0.000 0.199 436 Q C 0.259 176.092 176.000 -0.277 0.000 0.966 436 Q CA 0.734 56.394 55.803 -0.238 0.000 0.845 436 Q CB -0.077 28.373 28.738 -0.480 0.000 0.907 436 Q HN 0.358 nan 8.270 nan 0.000 0.439 437 Y N 1.222 121.525 120.300 0.005 0.000 2.889 437 Y HA -0.001 4.550 4.550 0.001 0.000 0.367 437 Y C 1.450 177.352 175.900 0.004 0.000 1.197 437 Y CA 0.308 58.411 58.100 0.005 0.000 1.993 437 Y CB -0.609 37.855 38.460 0.008 0.000 2.112 437 Y HN 0.128 nan 8.280 nan 0.000 0.413 438 T N -2.646 111.949 114.554 0.068 0.000 3.067 438 T HA 0.221 4.572 4.350 0.001 0.000 0.261 438 T C 1.163 175.889 174.700 0.045 0.000 1.110 438 T CA 0.152 62.281 62.100 0.048 0.000 1.113 438 T CB -0.050 68.827 68.868 0.015 0.000 0.917 438 T HN 0.434 nan 8.240 nan 0.000 0.499 439 A N 1.969 124.819 122.820 0.050 0.000 2.520 439 A HA 0.456 4.777 4.320 0.001 0.000 0.235 439 A C 0.616 178.227 177.584 0.045 0.000 1.065 439 A CA -0.518 51.544 52.037 0.041 0.000 0.764 439 A CB -0.174 18.854 19.000 0.047 0.000 1.002 439 A HN 0.373 nan 8.150 nan 0.000 0.502 440 V N 2.416 122.347 119.914 0.027 0.000 2.644 440 V HA 0.249 4.369 4.120 0.001 0.000 0.303 440 V C 1.725 177.831 176.094 0.020 0.000 1.058 440 V CA 2.087 64.399 62.300 0.019 0.000 1.228 440 V CB -0.506 31.323 31.823 0.010 0.000 0.861 440 V HN 2.074 nan 8.190 nan 0.000 0.484 441 G N 3.380 112.188 108.800 0.014 0.000 2.213 441 G HA2 -0.143 3.817 3.960 0.001 0.000 0.236 441 G HA3 -0.143 3.817 3.960 0.001 0.000 0.236 441 G C 0.580 175.484 174.900 0.007 0.000 0.991 441 G CA 0.091 45.193 45.100 0.002 0.000 0.629 441 G HN 1.385 nan 8.290 nan 0.000 0.517 442 G N -0.725 108.101 108.800 0.042 0.000 2.653 442 G HA2 0.469 4.430 3.960 0.001 0.000 0.265 442 G HA3 0.469 4.430 3.960 0.001 0.000 0.265 442 G C 1.009 175.933 174.900 0.039 0.000 1.237 442 G CA 0.941 46.080 45.100 0.065 0.000 0.946 442 G HN 0.617 nan 8.290 nan 0.000 0.522 443 T N 0.200 114.768 114.554 0.024 0.000 3.148 443 T HA 0.361 4.711 4.350 0.001 0.000 0.253 443 T C 1.291 176.039 174.700 0.080 0.000 1.134 443 T CA 0.421 62.532 62.100 0.020 0.000 1.051 443 T CB -0.064 68.777 68.868 -0.044 0.000 0.959 443 T HN 0.784 nan 8.240 nan 0.000 0.525 444 A N 1.717 124.612 122.820 0.125 0.000 2.483 444 A HA 0.234 4.555 4.320 0.001 0.000 0.238 444 A C 1.668 179.290 177.584 0.064 0.000 1.070 444 A CA -0.196 51.902 52.037 0.103 0.000 0.770 444 A CB 0.206 19.262 19.000 0.095 0.000 1.008 444 A HN 0.345 nan 8.150 nan 0.000 0.497 445 K N 1.183 121.616 120.400 0.054 0.000 2.074 445 K HA -0.209 4.112 4.320 0.001 0.000 0.209 445 K C 2.173 178.793 176.600 0.033 0.000 1.048 445 K CA 2.219 58.531 56.287 0.042 0.000 0.926 445 K CB -0.186 32.337 32.500 0.038 0.000 0.713 445 K HN 0.902 nan 8.250 nan 0.000 0.444 446 S N -0.537 115.182 115.700 0.032 0.000 2.402 446 S HA -0.132 4.339 4.470 0.001 0.000 0.229 446 S C 2.099 176.714 174.600 0.023 0.000 1.021 446 S CA 1.542 59.757 58.200 0.025 0.000 0.974 446 S CB -0.235 62.978 63.200 0.022 0.000 0.800 446 S HN 0.328 nan 8.310 nan 0.000 0.484 447 S N 0.754 116.473 115.700 0.031 0.000 2.371 447 S HA 0.006 4.477 4.470 0.001 0.000 0.224 447 S C 1.840 176.450 174.600 0.016 0.000 1.029 447 S CA 1.065 59.281 58.200 0.027 0.000 0.978 447 S CB -0.602 62.623 63.200 0.042 0.000 0.833 447 S HN 0.417 nan 8.310 nan 0.000 0.466 448 V N 1.573 121.498 119.914 0.019 0.000 2.343 448 V HA -0.124 3.997 4.120 0.001 0.000 0.247 448 V C 2.667 178.765 176.094 0.006 0.000 1.051 448 V CA 2.246 64.551 62.300 0.008 0.000 1.036 448 V CB -1.367 30.465 31.823 0.016 0.000 0.654 448 V HN 0.529 nan 8.190 nan 0.000 0.451 449 T N 0.426 114.987 114.554 0.013 0.000 2.759 449 T HA -0.179 4.172 4.350 0.001 0.000 0.269 449 T C 2.031 176.734 174.700 0.005 0.000 1.042 449 T CA 1.664 63.771 62.100 0.011 0.000 1.140 449 T CB -0.372 68.505 68.868 0.015 0.000 0.864 449 T HN 0.583 nan 8.240 nan 0.000 0.455 450 A N 1.053 123.876 122.820 0.005 0.000 1.930 450 A HA -0.128 4.193 4.320 0.001 0.000 0.217 450 A C 2.254 179.835 177.584 -0.005 0.000 1.175 450 A CA 1.382 53.420 52.037 0.002 0.000 0.627 450 A CB -0.525 18.477 19.000 0.003 0.000 0.815 450 A HN 0.541 nan 8.150 nan 0.000 0.443 451 Q N -0.478 119.317 119.800 -0.009 0.000 2.046 451 Q HA -0.080 4.261 4.340 0.001 0.000 0.200 451 Q C 2.004 177.992 176.000 -0.019 0.000 0.975 451 Q CA 1.517 57.309 55.803 -0.019 0.000 0.836 451 Q CB -0.308 28.413 28.738 -0.028 0.000 0.896 451 Q HN 0.729 nan 8.270 nan 0.000 0.428 452 I N 0.884 121.445 120.570 -0.015 0.000 2.208 452 I HA -0.273 3.898 4.170 0.001 0.000 0.245 452 I C 2.213 178.325 176.117 -0.009 0.000 1.097 452 I CA 0.972 62.264 61.300 -0.013 0.000 1.363 452 I CB -0.235 37.762 38.000 -0.005 0.000 1.051 452 I HN 0.203 nan 8.210 nan 0.000 0.413 453 E N 0.604 120.801 120.200 -0.005 0.000 2.051 453 E HA -0.243 4.108 4.350 0.001 0.000 0.192 453 E C 2.165 178.761 176.600 -0.006 0.000 0.991 453 E CA 1.263 57.661 56.400 -0.003 0.000 0.799 453 E CB -0.356 29.343 29.700 -0.000 0.000 0.748 453 E HN 0.593 nan 8.360 nan 0.000 0.449 454 Q N 0.221 120.016 119.800 -0.008 0.000 2.124 454 Q HA -0.068 4.273 4.340 0.001 0.000 0.202 454 Q C 2.460 178.452 176.000 -0.012 0.000 0.977 454 Q CA 0.837 56.634 55.803 -0.010 0.000 0.850 454 Q CB -0.068 28.663 28.738 -0.011 0.000 0.901 454 Q HN 0.255 nan 8.270 nan 0.000 0.429 455 L N -0.100 121.114 121.223 -0.016 0.000 2.093 455 L HA -0.161 4.180 4.340 0.001 0.000 0.208 455 L C 2.430 179.292 176.870 -0.014 0.000 1.085 455 L CA 0.981 55.810 54.840 -0.019 0.000 0.755 455 L CB -0.283 41.760 42.059 -0.027 0.000 0.904 455 L HN 0.169 nan 8.230 nan 0.000 0.435 456 R N -0.066 120.428 120.500 -0.010 0.000 2.081 456 R HA -0.217 4.124 4.340 0.001 0.000 0.235 456 R C 2.200 178.497 176.300 -0.005 0.000 1.131 456 R CA 1.502 57.598 56.100 -0.006 0.000 0.960 456 R CB -0.173 30.125 30.300 -0.003 0.000 0.856 456 R HN 0.231 nan 8.270 nan 0.000 0.436 457 E N 1.053 121.250 120.200 -0.006 0.000 2.058 457 E HA -0.156 4.195 4.350 0.001 0.000 0.194 457 E C 1.827 178.423 176.600 -0.006 0.000 0.997 457 E CA 1.205 57.602 56.400 -0.005 0.000 0.801 457 E CB -0.172 29.525 29.700 -0.005 0.000 0.746 457 E HN 0.233 nan 8.360 nan 0.000 0.450 458 L N 0.001 121.219 121.223 -0.008 0.000 2.056 458 L HA -0.139 4.202 4.340 0.001 0.000 0.207 458 L C 2.474 179.340 176.870 -0.007 0.000 1.078 458 L CA 0.840 55.675 54.840 -0.008 0.000 0.749 458 L CB -0.370 41.683 42.059 -0.010 0.000 0.901 458 L HN 0.257 nan 8.230 nan 0.000 0.433 459 L N -0.172 121.047 121.223 -0.007 0.000 2.261 459 L HA -0.194 4.147 4.340 0.001 0.000 0.216 459 L C 1.180 178.047 176.870 -0.005 0.000 1.114 459 L CA 1.004 55.840 54.840 -0.006 0.000 0.777 459 L CB -0.325 41.731 42.059 -0.006 0.000 0.910 459 L HN 0.177 nan 8.230 nan 0.000 0.440 460 K N 2.005 122.403 120.400 -0.004 0.000 3.006 460 K HA 0.035 4.356 4.320 0.001 0.000 0.265 460 K C -0.174 176.424 176.600 -0.004 0.000 1.279 460 K CA 0.010 56.295 56.287 -0.004 0.000 1.229 460 K CB -0.139 32.359 32.500 -0.003 0.000 1.555 460 K HN -0.004 nan 8.250 nan 0.000 0.300 461 K N 1.050 121.447 120.400 -0.004 0.000 2.640 461 K HA 0.238 4.559 4.320 0.001 0.000 0.245 461 K C -0.925 175.672 176.600 -0.005 0.000 0.962 461 K CA -0.581 55.703 56.287 -0.004 0.000 0.896 461 K CB 1.323 33.821 32.500 -0.003 0.000 1.147 461 K HN -0.083 nan 8.250 nan 0.000 0.445 462 Q N 0.000 119.796 119.800 -0.006 0.000 2.315 462 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 462 Q CA 0.000 55.798 55.803 -0.008 0.000 1.022 462 Q CB 0.000 28.733 28.738 -0.009 0.000 1.108 462 Q HN 0.000 nan 8.270 nan 0.000 0.481