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 2x6r_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKMYEVKEFX XXXRKLEDYK SIIGEEEVSK IQEKAEKLKG RSFVHVNSTS DATA SEQUENCE FGGGVAEILH SLVPLLRSIG IEARWFVIEG PTEFFNVTKT FHNALQGNES DATA SEQUENCE LKLTEEMKEL YLNVNRENSK FIDLSSFDYV LVHDPQPAAL IEFYEKKSPW DATA SEQUENCE LWRCHIDLSS PNREFWEFLR RFVEKYDRYI FHLPEYVQPE LDRNKAVIMP DATA SEQUENCE PSIDPLSEKN VELKQTEILR ILERFDVDPE KPIITQVSRF DPWKGIFDVI DATA SEQUENCE EIYRKVKEKI PGVQLLLVGV MAHDDPEGWI YFEKTLRKIG EDYDVKVLTN DATA SEQUENCE LIGVHAREVN AFQRASDVIL QMSIREGFGL TVTEAMWKGK PVIGRAVGGI DATA SEQUENCE KFQIVDGETG FLVRDANEAV EVVLYLLKHP EVSKEMGAKA KERVRKNFII DATA SEQUENCE TKHMERYLDI LNSLG 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.134 176.300 -0.276 0.000 1.140 1 M CA 0.000 55.218 55.300 -0.138 0.000 0.988 1 M CB 0.000 32.531 32.600 -0.116 0.000 1.302 2 K N 1.293 121.432 120.400 -0.435 0.000 2.164 2 K HA 0.753 5.072 4.320 -0.002 0.000 0.258 2 K C -0.603 175.720 176.600 -0.461 0.000 0.951 2 K CA -0.568 55.155 56.287 -0.940 0.000 0.844 2 K CB 2.416 33.962 32.500 -1.590 0.000 1.099 2 K HN 0.432 nan 8.250 nan 0.000 0.435 3 M N 4.160 123.535 119.600 -0.375 0.000 2.217 3 M HA 0.164 4.643 4.480 -0.002 0.000 0.354 3 M C -1.362 174.985 176.300 0.080 0.000 1.225 3 M CA -0.255 55.014 55.300 -0.051 0.000 1.137 3 M CB 0.267 32.890 32.600 0.039 0.000 1.576 3 M HN 0.814 nan 8.290 nan 0.000 0.461 4 Y N 1.591 121.883 120.300 -0.013 0.000 2.662 4 Y HA 0.700 5.248 4.550 -0.002 0.000 0.335 4 Y C -1.280 174.640 175.900 0.033 0.000 1.066 4 Y CA -1.422 56.684 58.100 0.010 0.000 1.116 4 Y CB 0.870 39.265 38.460 -0.109 0.000 1.308 4 Y HN 0.663 nan 8.280 nan 0.000 0.502 5 E N 0.901 121.114 120.200 0.021 0.000 2.183 5 E HA 0.502 4.850 4.350 -0.002 0.000 0.271 5 E C -1.764 174.620 176.600 -0.361 0.000 0.919 5 E CA -1.165 54.991 56.400 -0.407 0.000 0.781 5 E CB 2.392 31.829 29.700 -0.439 0.000 1.140 5 E HN 0.727 nan 8.360 nan 0.000 0.402 6 V N 5.482 125.021 119.914 -0.625 0.000 2.385 6 V HA 0.242 4.361 4.120 -0.002 0.000 0.269 6 V C 0.045 175.802 176.094 -0.563 0.000 1.043 6 V CA 0.217 62.170 62.300 -0.578 0.000 0.906 6 V CB 0.861 32.118 31.823 -0.945 0.000 0.995 6 V HN 0.774 nan 8.190 nan 0.000 0.467 7 K N 3.757 123.837 120.400 -0.532 0.000 2.365 7 K HA 0.261 4.580 4.320 -0.002 0.000 0.195 7 K C 0.428 176.522 176.600 -0.843 0.000 1.079 7 K CA 0.013 55.963 56.287 -0.562 0.000 0.979 7 K CB 0.774 33.110 32.500 -0.274 0.000 0.929 7 K HN 0.743 nan 8.250 nan 0.000 0.523 8 E N 0.769 120.550 120.200 -0.698 0.000 2.174 8 E HA 0.253 4.601 4.350 -0.002 0.000 0.282 8 E C -1.106 175.155 176.600 -0.565 0.000 0.992 8 E CA -0.531 55.560 56.400 -0.515 0.000 0.803 8 E CB 0.602 30.180 29.700 -0.204 0.000 1.090 8 E HN -0.172 nan 8.360 nan 0.000 0.396 15 K N 3.636 124.101 120.400 0.108 0.000 2.340 15 K HA 0.304 4.623 4.320 -0.002 0.000 0.244 15 K C 0.132 176.840 176.600 0.180 0.000 0.973 15 K CA -0.889 55.462 56.287 0.107 0.000 0.828 15 K CB 1.325 33.868 32.500 0.072 0.000 1.226 15 K HN 0.359 nan 8.250 nan 0.000 0.437 16 L N 1.399 122.706 121.223 0.140 0.000 2.089 16 L HA -0.188 4.151 4.340 -0.002 0.000 0.213 16 L C 1.896 178.881 176.870 0.192 0.000 1.079 16 L CA 1.994 56.932 54.840 0.164 0.000 0.758 16 L CB -0.572 41.529 42.059 0.070 0.000 0.891 16 L HN 0.713 nan 8.230 nan 0.000 0.433 17 E N -0.120 120.150 120.200 0.117 0.000 2.160 17 E HA -0.226 4.122 4.350 -0.002 0.000 0.195 17 E C 1.850 178.491 176.600 0.069 0.000 0.991 17 E CA 1.266 57.716 56.400 0.083 0.000 0.810 17 E CB -0.435 29.297 29.700 0.052 0.000 0.742 17 E HN 0.602 nan 8.360 nan 0.000 0.466 18 D N -0.481 119.952 120.400 0.055 0.000 2.265 18 D HA -0.160 4.479 4.640 -0.002 0.000 0.208 18 D C 1.010 177.178 176.300 -0.221 0.000 0.977 18 D CA 0.933 54.868 54.000 -0.109 0.000 0.871 18 D CB -0.171 40.499 40.800 -0.216 0.000 0.925 18 D HN 0.368 nan 8.370 nan 0.000 0.485 19 Y N -0.141 120.171 120.300 0.020 0.000 2.467 19 Y HA 0.209 4.758 4.550 -0.002 0.000 0.250 19 Y C 1.928 177.849 175.900 0.034 0.000 1.155 19 Y CA -0.423 57.692 58.100 0.027 0.000 1.249 19 Y CB 0.202 38.668 38.460 0.009 0.000 1.146 19 Y HN -0.199 nan 8.280 nan 0.000 0.524 20 K N 0.926 121.413 120.400 0.145 0.000 2.063 20 K HA -0.214 4.104 4.320 -0.002 0.000 0.208 20 K C 2.192 178.844 176.600 0.087 0.000 1.048 20 K CA 1.995 58.342 56.287 0.101 0.000 0.928 20 K CB -0.084 32.456 32.500 0.068 0.000 0.713 20 K HN 0.383 nan 8.250 nan 0.000 0.442 21 S N 0.287 116.030 115.700 0.072 0.000 2.423 21 S HA -0.107 4.362 4.470 -0.002 0.000 0.231 21 S C 1.953 176.610 174.600 0.095 0.000 1.014 21 S CA 1.031 59.270 58.200 0.064 0.000 0.965 21 S CB -0.406 62.820 63.200 0.043 0.000 0.785 21 S HN 0.336 nan 8.310 nan 0.000 0.495 22 I N 1.648 122.301 120.570 0.139 0.000 2.400 22 I HA 0.054 4.223 4.170 -0.002 0.000 0.248 22 I C 2.319 178.555 176.117 0.197 0.000 1.109 22 I CA 1.188 62.614 61.300 0.211 0.000 1.425 22 I CB -0.190 37.990 38.000 0.300 0.000 1.094 22 I HN 0.400 nan 8.210 nan 0.000 0.425 23 I N -1.788 118.878 120.570 0.159 0.000 3.968 23 I HA 0.474 4.643 4.170 -0.002 0.000 0.328 23 I C 0.845 177.008 176.117 0.077 0.000 1.290 23 I CA 0.004 61.372 61.300 0.114 0.000 1.163 23 I CB -0.057 37.993 38.000 0.084 0.000 1.024 23 I HN 0.163 nan 8.210 nan 0.000 0.413 24 G N 3.021 111.865 108.800 0.073 0.000 2.705 24 G HA2 -0.236 3.723 3.960 -0.002 0.000 0.686 24 G HA3 -0.236 3.723 3.960 -0.002 0.000 0.686 24 G C 0.332 175.257 174.900 0.042 0.000 1.285 24 G CA 0.102 45.233 45.100 0.051 0.000 0.800 24 G HN 0.678 nan 8.290 nan 0.000 0.611 25 E N 0.109 120.329 120.200 0.033 0.000 2.072 25 E HA -0.123 4.226 4.350 -0.002 0.000 0.191 25 E C 1.804 178.417 176.600 0.021 0.000 0.985 25 E CA 1.490 57.907 56.400 0.028 0.000 0.801 25 E CB -0.143 29.571 29.700 0.023 0.000 0.750 25 E HN 0.768 nan 8.360 nan 0.000 0.452 26 E N 0.714 120.924 120.200 0.018 0.000 2.130 26 E HA -0.254 4.095 4.350 -0.002 0.000 0.196 26 E C 2.017 178.622 176.600 0.009 0.000 0.998 26 E CA 1.516 57.922 56.400 0.011 0.000 0.806 26 E CB -0.050 29.655 29.700 0.009 0.000 0.738 26 E HN 0.268 nan 8.360 nan 0.000 0.459 27 E N 0.612 120.819 120.200 0.012 0.000 2.076 27 E HA -0.100 4.249 4.350 -0.002 0.000 0.190 27 E C 2.006 178.610 176.600 0.006 0.000 0.979 27 E CA 0.629 57.032 56.400 0.006 0.000 0.807 27 E CB -0.024 29.682 29.700 0.011 0.000 0.761 27 E HN 0.022 nan 8.360 nan 0.000 0.454 28 V N 1.094 121.018 119.914 0.017 0.000 2.332 28 V HA -0.292 3.827 4.120 -0.002 0.000 0.248 28 V C 2.506 178.607 176.094 0.012 0.000 1.055 28 V CA 2.033 64.344 62.300 0.020 0.000 1.038 28 V CB -0.984 30.859 31.823 0.033 0.000 0.651 28 V HN 0.464 nan 8.190 nan 0.000 0.450 29 S N 0.354 116.060 115.700 0.011 0.000 2.356 29 S HA -0.309 4.160 4.470 -0.002 0.000 0.223 29 S C 2.045 176.646 174.600 0.001 0.000 1.032 29 S CA 1.834 60.038 58.200 0.007 0.000 1.005 29 S CB -0.525 62.680 63.200 0.008 0.000 0.867 29 S HN 0.609 nan 8.310 nan 0.000 0.449 30 K N 1.074 121.473 120.400 -0.003 0.000 2.074 30 K HA -0.075 4.243 4.320 -0.002 0.000 0.209 30 K C 2.151 178.743 176.600 -0.015 0.000 1.048 30 K CA 1.745 58.026 56.287 -0.009 0.000 0.926 30 K CB -0.398 32.095 32.500 -0.012 0.000 0.713 30 K HN 0.508 nan 8.250 nan 0.000 0.444 31 I N 0.880 121.441 120.570 -0.015 0.000 2.179 31 I HA -0.305 3.864 4.170 -0.002 0.000 0.242 31 I C 2.542 178.650 176.117 -0.015 0.000 1.088 31 I CA 1.372 62.659 61.300 -0.021 0.000 1.357 31 I CB -0.282 37.704 38.000 -0.023 0.000 1.051 31 I HN 0.324 nan 8.210 nan 0.000 0.409 32 Q N 0.353 120.150 119.800 -0.006 0.000 2.061 32 Q HA -0.299 4.040 4.340 -0.002 0.000 0.204 32 Q C 2.148 178.145 176.000 -0.004 0.000 0.984 32 Q CA 2.074 57.876 55.803 -0.001 0.000 0.846 32 Q CB -0.238 28.504 28.738 0.007 0.000 0.902 32 Q HN 0.476 nan 8.270 nan 0.000 0.421 33 E N 1.171 121.368 120.200 -0.005 0.000 2.033 33 E HA -0.254 4.094 4.350 -0.002 0.000 0.199 33 E C 1.710 178.302 176.600 -0.013 0.000 1.011 33 E CA 1.376 57.772 56.400 -0.007 0.000 0.815 33 E CB 0.068 29.764 29.700 -0.007 0.000 0.755 33 E HN 0.207 nan 8.360 nan 0.000 0.451 34 K N -0.197 120.190 120.400 -0.021 0.000 2.211 34 K HA -0.139 4.180 4.320 -0.002 0.000 0.204 34 K C 2.012 178.589 176.600 -0.039 0.000 1.047 34 K CA 0.961 57.229 56.287 -0.033 0.000 0.935 34 K CB -0.106 32.369 32.500 -0.042 0.000 0.728 34 K HN 0.176 nan 8.250 nan 0.000 0.452 35 A N 1.351 124.152 122.820 -0.030 0.000 2.067 35 A HA -0.148 4.171 4.320 -0.002 0.000 0.217 35 A C 1.985 179.560 177.584 -0.014 0.000 1.156 35 A CA 0.905 52.925 52.037 -0.029 0.000 0.683 35 A CB -0.256 18.735 19.000 -0.015 0.000 0.808 35 A HN 0.380 nan 8.150 nan 0.000 0.455 36 E N 0.605 120.801 120.200 -0.007 0.000 2.021 36 E HA -0.273 4.075 4.350 -0.002 0.000 0.200 36 E C 1.421 178.024 176.600 0.005 0.000 1.015 36 E CA 1.582 57.983 56.400 0.003 0.000 0.824 36 E CB -0.137 29.565 29.700 0.003 0.000 0.762 36 E HN 0.334 nan 8.360 nan 0.000 0.454 37 K N -0.011 120.388 120.400 -0.001 0.000 2.293 37 K HA -0.161 4.158 4.320 -0.002 0.000 0.204 37 K C 1.922 178.533 176.600 0.018 0.000 1.045 37 K CA 1.032 57.322 56.287 0.006 0.000 0.933 37 K CB -0.197 32.300 32.500 -0.005 0.000 0.736 37 K HN 0.384 nan 8.250 nan 0.000 0.463 38 L N 0.443 121.669 121.223 0.005 0.000 2.728 38 L HA 0.163 4.502 4.340 -0.002 0.000 0.238 38 L C 0.662 177.562 176.870 0.049 0.000 1.143 38 L CA -0.419 54.435 54.840 0.023 0.000 0.937 38 L CB 0.030 42.048 42.059 -0.067 0.000 1.225 38 L HN -0.018 nan 8.230 nan 0.000 0.507 39 K N 1.559 121.982 120.400 0.038 0.000 2.511 39 K HA -0.019 4.300 4.320 -0.002 0.000 0.277 39 K C 1.362 178.000 176.600 0.064 0.000 1.025 39 K CA 1.140 57.454 56.287 0.046 0.000 1.112 39 K CB 0.203 32.724 32.500 0.035 0.000 0.859 39 K HN 0.270 nan 8.250 nan 0.000 0.485 40 G N 3.555 112.398 108.800 0.072 0.000 2.270 40 G HA2 -0.364 3.594 3.960 -0.002 0.000 0.268 40 G HA3 -0.364 3.594 3.960 -0.002 0.000 0.268 40 G C 0.166 175.134 174.900 0.113 0.000 0.982 40 G CA 0.644 45.794 45.100 0.085 0.000 0.628 40 G HN 0.703 nan 8.290 nan 0.000 0.544 41 R N 1.016 121.595 120.500 0.132 0.000 2.694 41 R HA 0.439 4.777 4.340 -0.002 0.000 0.268 41 R C 0.834 177.276 176.300 0.237 0.000 1.061 41 R CA 0.531 56.739 56.100 0.180 0.000 1.133 41 R CB 0.528 30.977 30.300 0.249 0.000 1.020 41 R HN 0.500 nan 8.270 nan 0.000 0.475 42 S N 1.900 117.763 115.700 0.273 0.000 2.489 42 S HA 0.293 4.761 4.470 -0.002 0.000 0.277 42 S C -0.628 174.214 174.600 0.404 0.000 1.230 42 S CA -0.675 57.725 58.200 0.332 0.000 1.053 42 S CB 0.769 64.270 63.200 0.502 0.000 0.955 42 S HN 0.483 nan 8.310 nan 0.000 0.488 43 F N 4.353 124.364 119.950 0.101 0.000 2.532 43 F HA 0.519 5.045 4.527 -0.002 0.000 0.365 43 F C -1.067 174.668 175.800 -0.108 0.000 1.112 43 F CA -1.856 56.148 58.000 0.006 0.000 1.082 43 F CB 0.601 39.579 39.000 -0.037 0.000 1.319 43 F HN 0.467 nan 8.300 nan 0.000 0.457 44 V N 5.910 125.693 119.914 -0.218 0.000 2.481 44 V HA 0.378 4.497 4.120 -0.002 0.000 0.286 44 V C -0.098 175.700 176.094 -0.493 0.000 1.042 44 V CA -0.604 61.480 62.300 -0.359 0.000 0.928 44 V CB 1.491 32.972 31.823 -0.571 0.000 0.986 44 V HN 0.550 nan 8.190 nan 0.000 0.462 45 H N 2.635 121.546 119.070 -0.266 0.000 2.524 45 H HA 0.688 5.243 4.556 -0.002 0.000 0.353 45 H C -1.164 174.205 175.328 0.067 0.000 1.136 45 H CA -0.567 55.383 56.048 -0.164 0.000 1.193 45 H CB 2.425 31.958 29.762 -0.381 0.000 1.558 45 H HN 0.400 nan 8.280 nan 0.000 0.515 46 V N 4.155 124.225 119.914 0.259 0.000 2.638 46 V HA 0.238 4.356 4.120 -0.002 0.000 0.306 46 V C 0.027 176.303 176.094 0.304 0.000 1.052 46 V CA -0.829 61.644 62.300 0.289 0.000 0.885 46 V CB 1.718 33.663 31.823 0.205 0.000 0.999 46 V HN 0.899 nan 8.190 nan 0.000 0.424 47 N N 2.290 121.166 118.700 0.294 0.000 3.418 47 N HA 0.321 5.059 4.740 -0.002 0.000 0.316 47 N C 0.004 175.662 175.510 0.248 0.000 1.601 47 N CA 0.014 53.214 53.050 0.250 0.000 0.805 47 N CB 1.794 40.359 38.487 0.131 0.000 1.873 47 N HN 0.494 nan 8.380 nan 0.000 0.615 48 S N -1.654 114.197 115.700 0.252 0.000 2.663 48 S HA 0.307 4.776 4.470 -0.002 0.000 0.243 48 S C -0.200 174.577 174.600 0.295 0.000 1.009 48 S CA -0.142 58.242 58.200 0.307 0.000 0.988 48 S CB -0.627 62.805 63.200 0.386 0.000 0.896 48 S HN 0.874 nan 8.310 nan 0.000 0.502 49 T N 0.838 115.516 114.554 0.206 0.000 3.289 49 T HA 0.357 4.706 4.350 -0.002 0.000 0.370 49 T C -0.067 174.740 174.700 0.177 0.000 1.546 49 T CA 0.103 62.271 62.100 0.113 0.000 1.144 49 T CB 1.076 70.020 68.868 0.127 0.000 1.379 49 T HN 0.244 nan 8.240 nan 0.000 0.478 50 S N 2.949 118.598 115.700 -0.086 0.000 2.539 50 S HA 0.463 4.931 4.470 -0.002 0.000 0.221 50 S C 0.154 175.009 174.600 0.426 0.000 0.987 50 S CA -0.546 57.673 58.200 0.031 0.000 0.929 50 S CB -0.165 62.724 63.200 -0.519 0.000 0.832 50 S HN 0.560 nan 8.310 nan 0.000 0.492 51 F N 1.544 121.617 119.950 0.206 0.000 2.507 51 F HA 0.666 5.191 4.527 -0.002 0.000 0.327 51 F C 1.172 177.028 175.800 0.094 0.000 1.068 51 F CA -0.321 57.749 58.000 0.117 0.000 0.965 51 F CB 1.742 40.774 39.000 0.053 0.000 1.192 51 F HN 0.419 nan 8.300 nan 0.000 0.476 52 G N 0.856 109.800 108.800 0.241 0.000 2.660 52 G HA2 0.135 4.093 3.960 -0.002 0.000 0.247 52 G HA3 0.135 4.093 3.960 -0.002 0.000 0.247 52 G C -0.231 174.729 174.900 0.100 0.000 1.328 52 G CA -0.655 44.525 45.100 0.133 0.000 0.884 52 G HN 1.106 nan 8.290 nan 0.000 0.531 53 G N -1.718 107.123 108.800 0.070 0.000 2.630 53 G HA2 0.833 4.792 3.960 -0.002 0.000 0.223 53 G HA3 0.833 4.792 3.960 -0.002 0.000 0.223 53 G C 1.563 176.482 174.900 0.033 0.000 1.434 53 G CA 1.393 46.521 45.100 0.046 0.000 1.057 53 G HN 2.662 nan 8.290 nan 0.000 0.570 54 G N -1.609 107.197 108.800 0.010 0.000 2.561 54 G HA2 -0.260 3.699 3.960 -0.002 0.000 0.289 54 G HA3 -0.260 3.699 3.960 -0.002 0.000 0.289 54 G C 1.272 176.114 174.900 -0.097 0.000 1.169 54 G CA 1.363 46.449 45.100 -0.023 0.000 0.980 54 G HN 1.355 nan 8.290 nan 0.000 0.550 55 V N 1.465 121.261 119.914 -0.196 0.000 2.261 55 V HA -0.015 4.104 4.120 -0.002 0.000 0.246 55 V C 3.517 179.431 176.094 -0.301 0.000 1.047 55 V CA 3.605 65.685 62.300 -0.367 0.000 1.015 55 V CB -1.507 30.021 31.823 -0.491 0.000 0.642 55 V HN 1.572 nan 8.190 nan 0.000 0.446 56 A N -0.323 122.438 122.820 -0.097 0.000 1.892 56 A HA -0.333 3.985 4.320 -0.002 0.000 0.218 56 A C 2.295 179.978 177.584 0.165 0.000 1.188 56 A CA 2.310 54.419 52.037 0.121 0.000 0.631 56 A CB -0.655 18.597 19.000 0.420 0.000 0.822 56 A HN 0.653 nan 8.150 nan 0.000 0.447 57 E N -0.306 119.947 120.200 0.088 0.000 2.118 57 E HA -0.182 4.166 4.350 -0.002 0.000 0.195 57 E C 1.855 178.456 176.600 0.002 0.000 0.992 57 E CA 1.325 57.762 56.400 0.062 0.000 0.804 57 E CB -0.236 29.475 29.700 0.018 0.000 0.741 57 E HN 0.708 nan 8.360 nan 0.000 0.458 58 I N 0.673 121.186 120.570 -0.095 0.000 2.133 58 I HA -0.295 3.873 4.170 -0.002 0.000 0.238 58 I C 2.451 178.431 176.117 -0.228 0.000 1.074 58 I CA 0.915 62.135 61.300 -0.133 0.000 1.342 58 I CB -0.344 37.578 38.000 -0.130 0.000 1.053 58 I HN 0.182 nan 8.210 nan 0.000 0.404 59 L N -0.103 120.842 121.223 -0.464 0.000 2.043 59 L HA -0.281 4.058 4.340 -0.002 0.000 0.212 59 L C 2.616 179.166 176.870 -0.533 0.000 1.075 59 L CA 1.654 56.024 54.840 -0.784 0.000 0.752 59 L CB -1.107 39.948 42.059 -1.673 0.000 0.891 59 L HN 0.304 nan 8.230 nan 0.000 0.432 60 H N -0.971 117.959 119.070 -0.234 0.000 2.492 60 H HA -0.137 4.418 4.556 -0.002 0.000 0.296 60 H C 2.339 177.567 175.328 -0.167 0.000 1.095 60 H CA 1.632 57.698 56.048 0.030 0.000 1.281 60 H CB 0.181 30.074 29.762 0.219 0.000 1.374 60 H HN 0.243 nan 8.280 nan 0.000 0.545 61 S N -0.978 114.677 115.700 -0.075 0.000 2.502 61 S HA 0.025 4.494 4.470 -0.002 0.000 0.228 61 S C 1.824 176.321 174.600 -0.172 0.000 1.061 61 S CA 0.072 58.228 58.200 -0.073 0.000 0.935 61 S CB 0.154 63.364 63.200 0.018 0.000 0.809 61 S HN 0.164 nan 8.310 nan 0.000 0.510 62 L N 2.459 123.539 121.223 -0.239 0.000 2.027 62 L HA 0.043 4.382 4.340 -0.002 0.000 0.206 62 L C 2.101 178.756 176.870 -0.357 0.000 1.074 62 L CA 1.570 56.258 54.840 -0.254 0.000 0.745 62 L CB -0.750 41.157 42.059 -0.253 0.000 0.898 62 L HN 0.104 nan 8.230 nan 0.000 0.433 63 V N 0.566 120.151 119.914 -0.548 0.000 2.255 63 V HA -0.211 3.908 4.120 -0.002 0.000 0.247 63 V C -0.057 175.774 176.094 -0.437 0.000 1.051 63 V CA 2.381 64.348 62.300 -0.554 0.000 1.018 63 V CB -1.993 29.431 31.823 -0.665 0.000 0.641 63 V HN 0.352 nan 8.190 nan 0.000 0.445 64 P HA -0.126 nan 4.420 nan 0.000 0.217 64 P C 1.902 179.126 177.300 -0.127 0.000 1.150 64 P CA 1.060 63.978 63.100 -0.302 0.000 0.832 64 P CB -0.051 31.477 31.700 -0.287 0.000 0.787 65 L N -1.008 120.138 121.223 -0.129 0.000 2.017 65 L HA -0.142 4.197 4.340 -0.002 0.000 0.208 65 L C 2.247 179.094 176.870 -0.040 0.000 1.073 65 L CA 1.770 56.578 54.840 -0.054 0.000 0.745 65 L CB -1.350 40.663 42.059 -0.077 0.000 0.894 65 L HN -0.112 nan 8.230 nan 0.000 0.432 66 L N -1.104 120.085 121.223 -0.057 0.000 2.046 66 L HA -0.220 4.119 4.340 -0.002 0.000 0.208 66 L C 2.683 179.567 176.870 0.023 0.000 1.077 66 L CA 1.311 56.156 54.840 0.008 0.000 0.747 66 L CB -0.431 41.658 42.059 0.050 0.000 0.896 66 L HN 0.209 nan 8.230 nan 0.000 0.432 67 R N -0.367 120.134 120.500 0.003 0.000 2.148 67 R HA -0.119 4.220 4.340 -0.002 0.000 0.227 67 R C 2.497 178.819 176.300 0.036 0.000 1.103 67 R CA 1.375 57.494 56.100 0.033 0.000 0.983 67 R CB -0.342 29.980 30.300 0.037 0.000 0.874 67 R HN 0.452 nan 8.270 nan 0.000 0.451 68 S N 1.181 116.895 115.700 0.024 0.000 2.453 68 S HA -0.064 4.405 4.470 -0.002 0.000 0.231 68 S C 1.587 176.207 174.600 0.034 0.000 1.005 68 S CA 0.647 58.868 58.200 0.034 0.000 0.949 68 S CB -0.300 62.923 63.200 0.038 0.000 0.774 68 S HN 0.497 nan 8.310 nan 0.000 0.510 69 I N -3.108 117.480 120.570 0.029 0.000 3.736 69 I HA 0.701 4.869 4.170 -0.002 0.000 0.338 69 I C 1.197 177.332 176.117 0.030 0.000 1.558 69 I CA -0.137 61.178 61.300 0.026 0.000 1.147 69 I CB -0.182 37.827 38.000 0.015 0.000 1.275 69 I HN 0.303 nan 8.210 nan 0.000 0.454 70 G N 2.057 110.880 108.800 0.039 0.000 2.299 70 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.237 70 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.237 70 G C 0.224 175.160 174.900 0.060 0.000 1.027 70 G CA 0.077 45.205 45.100 0.046 0.000 0.619 70 G HN 0.451 nan 8.290 nan 0.000 0.513 71 I N 1.973 122.582 120.570 0.065 0.000 2.556 71 I HA 0.180 4.349 4.170 -0.002 0.000 0.284 71 I C 0.363 176.550 176.117 0.117 0.000 1.114 71 I CA -0.244 61.114 61.300 0.096 0.000 1.418 71 I CB 0.834 38.898 38.000 0.106 0.000 1.394 71 I HN 0.004 nan 8.210 nan 0.000 0.552 72 E N 6.311 126.597 120.200 0.143 0.000 1.972 72 E HA 0.217 4.565 4.350 -0.002 0.000 0.292 72 E C -0.010 176.679 176.600 0.149 0.000 1.193 72 E CA -0.255 56.231 56.400 0.144 0.000 1.228 72 E CB 0.323 30.121 29.700 0.164 0.000 1.167 72 E HN 0.582 nan 8.360 nan 0.000 0.479 73 A N 3.127 126.016 122.820 0.115 0.000 2.450 73 A HA 0.388 4.707 4.320 -0.002 0.000 0.255 73 A C 0.332 177.929 177.584 0.020 0.000 1.096 73 A CA -0.094 51.983 52.037 0.066 0.000 0.778 73 A CB 0.578 19.574 19.000 -0.006 0.000 1.031 73 A HN 0.331 nan 8.150 nan 0.000 0.494 74 R N 0.943 121.432 120.500 -0.019 0.000 2.604 74 R HA 0.290 4.629 4.340 -0.002 0.000 0.281 74 R C -1.943 174.295 176.300 -0.103 0.000 1.020 74 R CA -0.501 55.542 56.100 -0.095 0.000 0.899 74 R CB 2.073 32.298 30.300 -0.126 0.000 1.205 74 R HN 0.803 nan 8.270 nan 0.000 0.450 75 W N 5.119 126.146 121.300 -0.454 0.000 2.471 75 W HA 0.474 5.132 4.660 -0.002 0.000 0.318 75 W C -1.875 174.255 176.519 -0.649 0.000 1.034 75 W CA -1.551 55.552 57.345 -0.404 0.000 1.224 75 W CB 0.508 29.792 29.460 -0.293 0.000 1.335 75 W HN 0.421 nan 8.180 nan 0.000 0.452 76 F N 5.195 125.199 119.950 0.091 0.000 2.508 76 F HA 0.601 5.127 4.527 -0.002 0.000 0.325 76 F C -0.083 175.582 175.800 -0.226 0.000 1.090 76 F CA -1.182 56.700 58.000 -0.197 0.000 0.945 76 F CB 1.763 40.702 39.000 -0.103 0.000 1.156 76 F HN -0.138 nan 8.300 nan 0.000 0.463 77 V N 4.595 124.238 119.914 -0.451 0.000 2.448 77 V HA 0.424 4.542 4.120 -0.002 0.000 0.295 77 V C 0.126 176.069 176.094 -0.251 0.000 1.025 77 V CA -0.938 61.113 62.300 -0.414 0.000 0.859 77 V CB 1.600 32.911 31.823 -0.852 0.000 0.988 77 V HN 0.634 nan 8.190 nan 0.000 0.431 78 I N 1.580 122.145 120.570 -0.009 0.000 2.764 78 I HA 0.633 4.802 4.170 -0.002 0.000 0.294 78 I C -0.016 176.161 176.117 0.101 0.000 1.045 78 I CA -0.154 61.159 61.300 0.021 0.000 1.340 78 I CB 0.825 38.838 38.000 0.022 0.000 1.436 78 I HN 0.568 nan 8.210 nan 0.000 0.567 79 E N 2.182 122.406 120.200 0.040 0.000 2.320 79 E HA 0.803 5.152 4.350 -0.002 0.000 0.264 79 E C -0.543 176.057 176.600 0.001 0.000 0.923 79 E CA -1.154 55.325 56.400 0.132 0.000 0.796 79 E CB 2.330 32.070 29.700 0.067 0.000 1.262 79 E HN 0.981 nan 8.360 nan 0.000 0.428 80 G N 1.239 110.185 108.800 0.244 0.000 2.547 80 G HA2 0.361 4.320 3.960 -0.002 0.000 0.291 80 G HA3 0.361 4.320 3.960 -0.002 0.000 0.291 80 G C -2.974 172.163 174.900 0.395 0.000 1.471 80 G CA -0.854 44.317 45.100 0.118 0.000 0.798 80 G HN 0.297 nan 8.290 nan 0.000 0.504 81 P HA 0.204 nan 4.420 nan 0.000 0.274 81 P C 1.011 178.550 177.300 0.398 0.000 1.246 81 P CA -0.039 63.215 63.100 0.257 0.000 0.795 81 P CB 0.906 32.704 31.700 0.164 0.000 1.006 82 T N 0.438 115.153 114.554 0.268 0.000 2.653 82 T HA -0.193 4.155 4.350 -0.002 0.000 0.268 82 T C 1.570 176.448 174.700 0.297 0.000 1.035 82 T CA 1.897 64.154 62.100 0.262 0.000 1.154 82 T CB -0.561 68.396 68.868 0.148 0.000 0.862 82 T HN 0.603 nan 8.240 nan 0.000 0.441 83 E N 1.056 121.400 120.200 0.240 0.000 2.171 83 E HA -0.184 4.165 4.350 -0.002 0.000 0.197 83 E C 1.995 178.743 176.600 0.248 0.000 0.997 83 E CA 1.084 57.610 56.400 0.211 0.000 0.810 83 E CB -0.765 29.039 29.700 0.173 0.000 0.738 83 E HN 0.584 nan 8.360 nan 0.000 0.467 84 F N 1.356 121.391 119.950 0.142 0.000 2.113 84 F HA -0.064 4.461 4.527 -0.002 0.000 0.297 84 F C 1.977 177.763 175.800 -0.024 0.000 1.103 84 F CA 1.053 59.070 58.000 0.029 0.000 1.248 84 F CB -0.427 38.527 39.000 -0.078 0.000 0.999 84 F HN -0.166 nan 8.300 nan 0.000 0.475 85 F N 0.866 120.803 119.950 -0.020 0.000 2.407 85 F HA -0.109 4.417 4.527 -0.002 0.000 0.299 85 F C 2.165 177.935 175.800 -0.051 0.000 1.097 85 F CA 0.889 58.815 58.000 -0.125 0.000 1.422 85 F CB -0.902 38.123 39.000 0.041 0.000 1.067 85 F HN 0.040 nan 8.300 nan 0.000 0.539 86 N N 0.098 118.899 118.700 0.170 0.000 2.270 86 N HA -0.098 4.641 4.740 -0.002 0.000 0.181 86 N C 2.095 177.677 175.510 0.121 0.000 1.016 86 N CA 1.065 54.201 53.050 0.143 0.000 0.870 86 N CB -0.362 38.211 38.487 0.143 0.000 0.979 86 N HN 0.162 nan 8.380 nan 0.000 0.431 87 V N 1.323 121.284 119.914 0.078 0.000 2.407 87 V HA -0.149 3.970 4.120 -0.002 0.000 0.245 87 V C 2.577 178.773 176.094 0.169 0.000 1.041 87 V CA 2.069 64.459 62.300 0.150 0.000 1.040 87 V CB -1.003 30.892 31.823 0.120 0.000 0.671 87 V HN 0.468 nan 8.190 nan 0.000 0.455 88 T N -1.375 113.088 114.554 -0.152 0.000 2.915 88 T HA -0.213 4.136 4.350 -0.002 0.000 0.269 88 T C 1.779 176.551 174.700 0.119 0.000 1.071 88 T CA 1.547 63.561 62.100 -0.144 0.000 1.132 88 T CB -0.191 68.403 68.868 -0.456 0.000 0.878 88 T HN 0.345 nan 8.240 nan 0.000 0.479 89 K N 1.350 121.820 120.400 0.117 0.000 2.057 89 K HA -0.001 4.317 4.320 -0.002 0.000 0.206 89 K C 2.359 179.073 176.600 0.191 0.000 1.050 89 K CA 1.632 58.014 56.287 0.158 0.000 0.935 89 K CB -0.870 31.710 32.500 0.134 0.000 0.715 89 K HN 0.339 nan 8.250 nan 0.000 0.439 90 T N 0.323 114.991 114.554 0.190 0.000 2.777 90 T HA -0.069 4.280 4.350 -0.002 0.000 0.266 90 T C 1.437 176.157 174.700 0.033 0.000 1.040 90 T CA 1.348 63.520 62.100 0.119 0.000 1.141 90 T CB -0.385 68.594 68.868 0.186 0.000 0.868 90 T HN 0.094 nan 8.240 nan 0.000 0.444 91 F N 0.863 120.844 119.950 0.052 0.000 2.126 91 F HA -0.096 4.430 4.527 -0.002 0.000 0.299 91 F C 2.424 178.229 175.800 0.008 0.000 1.096 91 F CA 1.438 59.487 58.000 0.081 0.000 1.255 91 F CB -0.653 38.454 39.000 0.179 0.000 0.997 91 F HN 0.277 nan 8.300 nan 0.000 0.479 92 H N 0.330 119.506 119.070 0.175 0.000 2.267 92 H HA -0.152 4.403 4.556 -0.002 0.000 0.297 92 H C 2.111 177.437 175.328 -0.002 0.000 1.080 92 H CA 2.332 58.440 56.048 0.100 0.000 1.278 92 H CB -0.411 29.411 29.762 0.100 0.000 1.365 92 H HN 0.036 nan 8.280 nan 0.000 0.489 93 N N 0.399 119.089 118.700 -0.017 0.000 2.166 93 N HA -0.131 4.608 4.740 -0.002 0.000 0.186 93 N C 1.965 177.324 175.510 -0.251 0.000 1.019 93 N CA 1.178 54.152 53.050 -0.126 0.000 0.856 93 N CB -0.564 37.898 38.487 -0.041 0.000 0.993 93 N HN 0.535 nan 8.380 nan 0.000 0.426 94 A N 1.490 124.058 122.820 -0.420 0.000 1.873 94 A HA -0.004 4.315 4.320 -0.002 0.000 0.215 94 A C 2.366 179.735 177.584 -0.360 0.000 1.186 94 A CA 0.794 52.440 52.037 -0.651 0.000 0.616 94 A CB -0.729 17.179 19.000 -1.820 0.000 0.823 94 A HN 0.187 nan 8.150 nan 0.000 0.442 95 L N -0.509 120.575 121.223 -0.231 0.000 2.191 95 L HA -0.196 4.143 4.340 -0.002 0.000 0.212 95 L C 2.646 179.429 176.870 -0.144 0.000 1.103 95 L CA 0.843 55.642 54.840 -0.068 0.000 0.769 95 L CB -0.518 41.582 42.059 0.069 0.000 0.908 95 L HN 0.386 nan 8.230 nan 0.000 0.438 96 Q N -0.021 119.644 119.800 -0.225 0.000 2.224 96 Q HA -0.081 4.258 4.340 -0.002 0.000 0.203 96 Q C 1.674 177.585 176.000 -0.149 0.000 0.970 96 Q CA 1.332 57.002 55.803 -0.222 0.000 0.865 96 Q CB 0.112 28.689 28.738 -0.268 0.000 0.922 96 Q HN 0.652 nan 8.270 nan 0.000 0.445 97 G N 0.525 109.240 108.800 -0.143 0.000 2.321 97 G HA2 -0.172 3.787 3.960 -0.002 0.000 0.174 97 G HA3 -0.172 3.787 3.960 -0.002 0.000 0.174 97 G C -0.071 174.769 174.900 -0.099 0.000 1.008 97 G CA -0.337 44.698 45.100 -0.107 0.000 0.739 97 G HN 0.203 nan 8.290 nan 0.000 0.502 98 N N 1.285 119.907 118.700 -0.129 0.000 2.405 98 N HA 0.199 4.938 4.740 -0.002 0.000 0.260 98 N C 0.985 176.430 175.510 -0.108 0.000 1.152 98 N CA 0.008 52.992 53.050 -0.109 0.000 0.948 98 N CB 0.799 39.211 38.487 -0.125 0.000 1.111 98 N HN 0.240 nan 8.380 nan 0.000 0.485 99 E N 1.247 121.414 120.200 -0.055 0.000 2.435 99 E HA -0.062 4.287 4.350 -0.002 0.000 0.195 99 E C 1.458 178.056 176.600 -0.002 0.000 1.029 99 E CA 0.324 56.711 56.400 -0.023 0.000 0.865 99 E CB 0.092 29.785 29.700 -0.011 0.000 0.833 99 E HN 0.709 nan 8.360 nan 0.000 0.510 100 S N 0.123 115.817 115.700 -0.011 0.000 2.461 100 S HA 0.010 4.479 4.470 -0.002 0.000 0.228 100 S C 1.224 175.838 174.600 0.024 0.000 1.005 100 S CA -0.011 58.194 58.200 0.008 0.000 0.942 100 S CB -0.322 62.882 63.200 0.007 0.000 0.776 100 S HN 0.069 nan 8.310 nan 0.000 0.514 101 L N 1.701 122.927 121.223 0.005 0.000 2.439 101 L HA 0.377 4.715 4.340 -0.002 0.000 0.269 101 L C 0.142 177.146 176.870 0.224 0.000 1.179 101 L CA -0.045 54.826 54.840 0.052 0.000 0.828 101 L CB 0.364 42.347 42.059 -0.126 0.000 1.106 101 L HN 0.134 nan 8.230 nan 0.000 0.467 102 K N 3.120 123.668 120.400 0.248 0.000 2.371 102 K HA 0.467 4.785 4.320 -0.002 0.000 0.251 102 K C -1.254 175.358 176.600 0.021 0.000 0.934 102 K CA -0.848 55.533 56.287 0.158 0.000 0.798 102 K CB 2.581 35.110 32.500 0.048 0.000 1.204 102 K HN 0.318 nan 8.250 nan 0.000 0.427 103 L N 4.409 125.394 121.223 -0.397 0.000 2.259 103 L HA 0.246 4.585 4.340 -0.002 0.000 0.288 103 L C -0.082 176.559 176.870 -0.381 0.000 1.051 103 L CA 0.216 54.620 54.840 -0.727 0.000 0.824 103 L CB 0.353 41.560 42.059 -1.419 0.000 1.206 103 L HN 0.848 nan 8.230 nan 0.000 0.429 104 T N 1.099 115.520 114.554 -0.223 0.000 2.824 104 T HA 0.282 4.631 4.350 -0.002 0.000 0.277 104 T C 0.982 175.591 174.700 -0.151 0.000 0.975 104 T CA -0.616 61.401 62.100 -0.139 0.000 0.966 104 T CB 1.282 70.118 68.868 -0.054 0.000 1.054 104 T HN 0.528 nan 8.240 nan 0.000 0.533 105 E N 0.506 120.649 120.200 -0.096 0.000 2.152 105 E HA -0.059 4.290 4.350 -0.002 0.000 0.192 105 E C 1.973 178.560 176.600 -0.021 0.000 0.983 105 E CA 0.955 57.312 56.400 -0.072 0.000 0.818 105 E CB -0.240 29.438 29.700 -0.037 0.000 0.758 105 E HN 0.747 nan 8.360 nan 0.000 0.467 106 E N 0.594 120.793 120.200 -0.001 0.000 2.077 106 E HA -0.093 4.255 4.350 -0.002 0.000 0.193 106 E C 2.097 178.740 176.600 0.071 0.000 0.989 106 E CA 1.052 57.476 56.400 0.040 0.000 0.800 106 E CB -0.243 29.482 29.700 0.042 0.000 0.746 106 E HN 0.235 nan 8.360 nan 0.000 0.452 107 M N 0.364 119.999 119.600 0.059 0.000 2.086 107 M HA -0.160 4.319 4.480 -0.002 0.000 0.261 107 M C 2.073 178.469 176.300 0.161 0.000 1.067 107 M CA 1.491 56.869 55.300 0.130 0.000 1.116 107 M CB -0.267 32.414 32.600 0.134 0.000 1.348 107 M HN -0.041 nan 8.290 nan 0.000 0.407 108 K N 0.143 120.549 120.400 0.010 0.000 2.063 108 K HA -0.224 4.095 4.320 -0.002 0.000 0.208 108 K C 1.959 178.732 176.600 0.289 0.000 1.048 108 K CA 1.645 57.946 56.287 0.024 0.000 0.928 108 K CB -0.256 32.060 32.500 -0.306 0.000 0.713 108 K HN 0.393 nan 8.250 nan 0.000 0.442 109 E N 0.904 121.212 120.200 0.179 0.000 2.051 109 E HA -0.214 4.135 4.350 -0.002 0.000 0.192 109 E C 2.045 178.759 176.600 0.190 0.000 0.991 109 E CA 0.855 57.363 56.400 0.180 0.000 0.799 109 E CB 0.014 29.782 29.700 0.113 0.000 0.748 109 E HN 0.107 nan 8.360 nan 0.000 0.449 110 L N 0.413 121.753 121.223 0.195 0.000 2.046 110 L HA -0.177 4.162 4.340 -0.002 0.000 0.208 110 L C 2.234 179.266 176.870 0.270 0.000 1.077 110 L CA 1.899 56.860 54.840 0.202 0.000 0.747 110 L CB -0.952 41.236 42.059 0.214 0.000 0.896 110 L HN 0.288 nan 8.230 nan 0.000 0.432 111 Y N -0.212 120.219 120.300 0.218 0.000 2.097 111 Y HA -0.258 4.291 4.550 -0.002 0.000 0.282 111 Y C 2.215 178.232 175.900 0.195 0.000 1.152 111 Y CA 2.186 60.439 58.100 0.255 0.000 1.136 111 Y CB -0.435 38.127 38.460 0.170 0.000 0.975 111 Y HN 0.201 nan 8.280 nan 0.000 0.498 112 L N 0.215 121.548 121.223 0.184 0.000 2.093 112 L HA -0.233 4.106 4.340 -0.002 0.000 0.208 112 L C 2.520 179.363 176.870 -0.046 0.000 1.085 112 L CA 1.358 56.258 54.840 0.100 0.000 0.755 112 L CB -0.745 41.532 42.059 0.362 0.000 0.904 112 L HN 0.324 nan 8.230 nan 0.000 0.435 113 N N 0.241 118.935 118.700 -0.010 0.000 2.069 113 N HA -0.159 4.580 4.740 -0.002 0.000 0.191 113 N C 1.832 177.205 175.510 -0.227 0.000 1.031 113 N CA 1.510 54.509 53.050 -0.084 0.000 0.852 113 N CB -0.004 38.476 38.487 -0.011 0.000 1.018 113 N HN 0.076 nan 8.380 nan 0.000 0.423 114 V N 1.510 121.258 119.914 -0.277 0.000 2.295 114 V HA -0.206 3.913 4.120 -0.002 0.000 0.246 114 V C 1.849 177.625 176.094 -0.531 0.000 1.049 114 V CA 1.603 63.606 62.300 -0.496 0.000 1.024 114 V CB -0.719 30.506 31.823 -0.996 0.000 0.648 114 V HN 0.317 nan 8.190 nan 0.000 0.447 115 N N -0.083 118.293 118.700 -0.541 0.000 2.069 115 N HA -0.187 4.552 4.740 -0.002 0.000 0.191 115 N C 1.949 177.058 175.510 -0.668 0.000 1.031 115 N CA 1.547 54.297 53.050 -0.500 0.000 0.852 115 N CB -0.345 37.865 38.487 -0.461 0.000 1.018 115 N HN 0.375 nan 8.380 nan 0.000 0.423 116 R N 0.995 120.881 120.500 -1.024 0.000 2.080 116 R HA -0.130 4.209 4.340 -0.002 0.000 0.236 116 R C 1.400 177.332 176.300 -0.614 0.000 1.137 116 R CA 1.367 56.645 56.100 -1.370 0.000 0.943 116 R CB -0.043 29.629 30.300 -1.048 0.000 0.846 116 R HN 0.203 nan 8.270 nan 0.000 0.431 117 E N 0.519 120.496 120.200 -0.373 0.000 2.110 117 E HA -0.179 4.170 4.350 -0.002 0.000 0.193 117 E C 1.743 178.330 176.600 -0.022 0.000 0.988 117 E CA 1.371 57.678 56.400 -0.156 0.000 0.804 117 E CB -0.444 29.193 29.700 -0.105 0.000 0.745 117 E HN 0.437 nan 8.360 nan 0.000 0.458 118 N N 0.670 119.301 118.700 -0.114 0.000 2.223 118 N HA -0.121 4.617 4.740 -0.002 0.000 0.185 118 N C 1.460 177.038 175.510 0.113 0.000 1.016 118 N CA 1.388 54.432 53.050 -0.010 0.000 0.863 118 N CB -0.129 38.293 38.487 -0.108 0.000 0.983 118 N HN 0.070 nan 8.380 nan 0.000 0.429 119 S N -0.409 115.288 115.700 -0.006 0.000 2.803 119 S HA 0.087 4.556 4.470 -0.002 0.000 0.226 119 S C 1.044 175.641 174.600 -0.004 0.000 0.962 119 S CA 0.386 58.626 58.200 0.066 0.000 0.968 119 S CB -0.108 62.998 63.200 -0.157 0.000 0.786 119 S HN 0.232 nan 8.310 nan 0.000 0.527 120 K N -0.482 119.946 120.400 0.047 0.000 2.370 120 K HA 0.276 4.595 4.320 -0.002 0.000 0.194 120 K C 0.598 177.085 176.600 -0.189 0.000 1.070 120 K CA 0.214 56.426 56.287 -0.124 0.000 0.998 120 K CB -0.046 32.293 32.500 -0.268 0.000 0.911 120 K HN 0.380 nan 8.250 nan 0.000 0.533 121 F N 1.217 121.167 119.950 -0.000 0.000 2.407 121 F HA 0.134 4.659 4.527 -0.002 0.000 0.299 121 F C 1.103 176.918 175.800 0.024 0.000 1.097 121 F CA 0.485 58.497 58.000 0.020 0.000 1.422 121 F CB 0.239 39.260 39.000 0.035 0.000 1.067 121 F HN -0.058 nan 8.300 nan 0.000 0.539 122 I N -0.620 120.037 120.570 0.145 0.000 2.722 122 I HA 0.220 4.389 4.170 -0.002 0.000 0.292 122 I C -1.529 174.677 176.117 0.149 0.000 1.267 122 I CA -0.851 60.485 61.300 0.060 0.000 1.036 122 I CB 1.878 39.779 38.000 -0.164 0.000 1.281 122 I HN -0.293 nan 8.210 nan 0.000 0.423 123 D N 6.889 127.359 120.400 0.117 0.000 2.517 123 D HA 0.247 4.886 4.640 -0.002 0.000 0.220 123 D C 1.099 177.435 176.300 0.059 0.000 1.158 123 D CA -0.094 54.028 54.000 0.203 0.000 0.992 123 D CB 0.366 41.209 40.800 0.072 0.000 1.058 123 D HN 0.554 nan 8.370 nan 0.000 0.516 124 L N 1.813 123.007 121.223 -0.048 0.000 2.127 124 L HA -0.191 4.148 4.340 -0.002 0.000 0.211 124 L C 2.404 179.265 176.870 -0.015 0.000 1.089 124 L CA 1.232 56.014 54.840 -0.097 0.000 0.757 124 L CB -0.569 41.182 42.059 -0.514 0.000 0.899 124 L HN 0.408 nan 8.230 nan 0.000 0.434 125 S N -0.980 114.683 115.700 -0.062 0.000 2.469 125 S HA -0.139 4.330 4.470 -0.002 0.000 0.238 125 S C 1.931 176.565 174.600 0.057 0.000 0.998 125 S CA 0.957 59.268 58.200 0.184 0.000 0.957 125 S CB -0.521 62.840 63.200 0.268 0.000 0.764 125 S HN 0.553 nan 8.310 nan 0.000 0.514 126 S N 0.002 115.623 115.700 -0.131 0.000 2.603 126 S HA 0.285 4.754 4.470 -0.002 0.000 0.220 126 S C 0.119 174.453 174.600 -0.445 0.000 0.967 126 S CA -0.672 57.341 58.200 -0.311 0.000 0.920 126 S CB -0.703 62.230 63.200 -0.445 0.000 0.773 126 S HN 0.443 nan 8.310 nan 0.000 0.529 127 F N 1.838 121.754 119.950 -0.056 0.000 2.408 127 F HA 0.439 4.965 4.527 -0.002 0.000 0.325 127 F C 1.361 177.090 175.800 -0.119 0.000 1.082 127 F CA -1.169 56.793 58.000 -0.064 0.000 1.032 127 F CB 0.767 39.728 39.000 -0.065 0.000 1.259 127 F HN -0.097 nan 8.300 nan 0.000 0.503 128 D N 0.039 120.470 120.400 0.052 0.000 2.144 128 D HA -0.124 4.514 4.640 -0.002 0.000 0.200 128 D C -0.560 175.341 176.300 -0.665 0.000 0.978 128 D CA 1.845 55.639 54.000 -0.343 0.000 0.833 128 D CB 0.013 40.582 40.800 -0.385 0.000 0.961 128 D HN 0.331 nan 8.370 nan 0.000 0.470 129 Y N -0.724 119.619 120.300 0.072 0.000 2.441 129 Y HA 0.400 4.948 4.550 -0.002 0.000 0.334 129 Y C -0.572 175.281 175.900 -0.078 0.000 1.061 129 Y CA -0.984 57.121 58.100 0.009 0.000 1.032 129 Y CB 2.126 40.582 38.460 -0.007 0.000 1.266 129 Y HN -0.415 nan 8.280 nan 0.000 0.441 130 V N 4.936 124.747 119.914 -0.171 0.000 2.444 130 V HA 0.442 4.561 4.120 -0.002 0.000 0.294 130 V C -0.746 175.154 176.094 -0.324 0.000 1.022 130 V CA -0.775 61.213 62.300 -0.520 0.000 0.850 130 V CB 2.036 32.986 31.823 -1.455 0.000 0.992 130 V HN 0.709 nan 8.190 nan 0.000 0.426 131 L N 5.893 126.923 121.223 -0.321 0.000 2.343 131 L HA 0.654 4.993 4.340 -0.002 0.000 0.278 131 L C -0.900 175.875 176.870 -0.158 0.000 0.996 131 L CA -0.472 54.221 54.840 -0.246 0.000 0.831 131 L CB 1.720 43.485 42.059 -0.490 0.000 1.232 131 L HN 0.447 nan 8.230 nan 0.000 0.413 132 V N 3.532 123.465 119.914 0.032 0.000 2.481 132 V HA 0.303 4.422 4.120 -0.002 0.000 0.286 132 V C -0.622 175.443 176.094 -0.047 0.000 1.042 132 V CA -0.545 61.867 62.300 0.186 0.000 0.928 132 V CB 1.395 33.518 31.823 0.501 0.000 0.986 132 V HN 0.626 nan 8.190 nan 0.000 0.462 133 H N 3.194 122.300 119.070 0.062 0.000 2.488 133 H HA 0.549 5.104 4.556 -0.002 0.000 0.322 133 H C -0.045 175.323 175.328 0.067 0.000 1.078 133 H CA -0.163 55.886 56.048 0.001 0.000 1.260 133 H CB 0.669 30.470 29.762 0.065 0.000 1.425 133 H HN 0.788 nan 8.280 nan 0.000 0.471 134 D N 1.689 122.082 120.400 -0.012 0.000 9.143 134 D HA -0.169 4.470 4.640 -0.002 0.000 0.348 134 D C -1.656 174.994 176.300 0.584 0.000 2.867 134 D CA -0.028 54.091 54.000 0.199 0.000 2.085 134 D CB -0.533 40.410 40.800 0.238 0.000 1.165 134 D HN 0.376 nan 8.370 nan 0.000 1.153 135 P HA -0.132 nan 4.420 nan 0.000 0.215 135 P C 1.277 178.804 177.300 0.379 0.000 1.153 135 P CA 2.077 65.475 63.100 0.496 0.000 0.853 135 P CB 0.124 32.073 31.700 0.415 0.000 0.788 136 Q N -0.188 119.796 119.800 0.306 0.000 2.096 136 Q HA -0.164 4.175 4.340 -0.002 0.000 0.208 136 Q C -0.630 175.589 176.000 0.366 0.000 0.993 136 Q CA 2.420 58.397 55.803 0.290 0.000 0.862 136 Q CB -2.075 26.774 28.738 0.184 0.000 0.915 136 Q HN 0.443 nan 8.270 nan 0.000 0.416 137 P HA 0.312 nan 4.420 nan 0.000 0.280 137 P C -0.086 177.387 177.300 0.287 0.000 1.431 137 P CA 0.481 63.730 63.100 0.248 0.000 1.058 137 P CB 0.715 32.570 31.700 0.259 0.000 1.521 138 A N 1.531 124.552 122.820 0.335 0.000 1.948 138 A HA -0.131 4.187 4.320 -0.002 0.000 0.220 138 A C 2.291 179.954 177.584 0.132 0.000 1.177 138 A CA 2.162 54.375 52.037 0.294 0.000 0.636 138 A CB -1.432 17.645 19.000 0.129 0.000 0.815 138 A HN 0.259 nan 8.150 nan 0.000 0.449 139 A N -0.556 122.076 122.820 -0.313 0.000 2.172 139 A HA 0.097 4.416 4.320 -0.002 0.000 0.216 139 A C 1.978 179.565 177.584 0.005 0.000 1.154 139 A CA 1.060 52.673 52.037 -0.707 0.000 0.701 139 A CB -0.587 17.745 19.000 -1.114 0.000 0.789 139 A HN 0.507 nan 8.150 nan 0.000 0.465 140 L N -0.705 120.651 121.223 0.222 0.000 2.081 140 L HA -0.212 4.127 4.340 -0.002 0.000 0.212 140 L C 2.345 179.489 176.870 0.455 0.000 1.080 140 L CA 1.494 56.624 54.840 0.484 0.000 0.754 140 L CB -0.476 41.906 42.059 0.537 0.000 0.893 140 L HN 0.505 nan 8.230 nan 0.000 0.433 141 I N -0.159 120.502 120.570 0.152 0.000 3.010 141 I HA -0.264 3.904 4.170 -0.002 0.000 0.271 141 I C 2.128 178.015 176.117 -0.382 0.000 1.293 141 I CA 1.025 62.020 61.300 -0.508 0.000 1.452 141 I CB 0.033 37.552 38.000 -0.802 0.000 1.082 141 I HN 0.337 nan 8.210 nan 0.000 0.484 142 E N -0.113 119.943 120.200 -0.239 0.000 2.479 142 E HA -0.024 4.325 4.350 -0.002 0.000 0.193 142 E C 0.263 176.398 176.600 -0.774 0.000 1.049 142 E CA 0.094 56.195 56.400 -0.499 0.000 0.870 142 E CB 0.241 29.613 29.700 -0.547 0.000 0.944 142 E HN 0.512 nan 8.360 nan 0.000 0.492 143 F N -0.198 119.700 119.950 -0.087 0.000 2.850 143 F HA 0.351 4.877 4.527 -0.002 0.000 0.329 143 F C -0.953 174.577 175.800 -0.449 0.000 1.182 143 F CA -0.533 57.326 58.000 -0.235 0.000 1.270 143 F CB 0.459 39.281 39.000 -0.295 0.000 0.979 143 F HN -0.117 nan 8.300 nan 0.000 0.506 144 Y N -0.985 119.283 120.300 -0.052 0.000 2.609 144 Y HA 0.369 4.917 4.550 -0.002 0.000 0.336 144 Y C -0.335 175.484 175.900 -0.135 0.000 1.129 144 Y CA -1.794 56.281 58.100 -0.042 0.000 1.040 144 Y CB 1.235 39.716 38.460 0.036 0.000 1.310 144 Y HN -0.186 nan 8.280 nan 0.000 0.460 145 E N 2.166 122.429 120.200 0.105 0.000 1.936 145 E HA 0.152 4.500 4.350 -0.002 0.000 0.267 145 E C -0.678 175.917 176.600 -0.007 0.000 1.076 145 E CA -0.460 55.944 56.400 0.005 0.000 0.870 145 E CB 0.257 29.965 29.700 0.014 0.000 1.093 145 E HN 0.412 nan 8.360 nan 0.000 0.411 146 K N 4.034 124.359 120.400 -0.125 0.000 2.405 146 K HA -0.094 4.225 4.320 -0.002 0.000 0.276 146 K C 0.043 176.625 176.600 -0.029 0.000 1.099 146 K CA 0.569 56.759 56.287 -0.162 0.000 1.120 146 K CB 0.172 32.467 32.500 -0.342 0.000 0.877 146 K HN 0.498 nan 8.250 nan 0.000 0.472 147 K N 1.397 121.834 120.400 0.060 0.000 2.619 147 K HA 0.136 4.455 4.320 -0.002 0.000 0.201 147 K C -0.957 175.680 176.600 0.060 0.000 1.090 147 K CA -0.634 55.679 56.287 0.044 0.000 1.063 147 K CB 0.732 33.249 32.500 0.029 0.000 0.810 147 K HN 0.442 nan 8.250 nan 0.000 0.506 148 S N -0.614 115.165 115.700 0.131 0.000 2.595 148 S HA 0.415 4.884 4.470 -0.002 0.000 0.270 148 S C -3.285 171.457 174.600 0.237 0.000 1.145 148 S CA -1.383 56.877 58.200 0.099 0.000 0.825 148 S CB 1.342 64.554 63.200 0.020 0.000 1.107 148 S HN -0.133 nan 8.310 nan 0.000 0.461 149 P HA 0.261 nan 4.420 nan 0.000 0.264 149 P C -1.427 176.088 177.300 0.357 0.000 1.193 149 P CA 0.369 63.625 63.100 0.259 0.000 0.763 149 P CB 0.073 31.922 31.700 0.248 0.000 0.810 150 W N 4.141 125.516 121.300 0.124 0.000 2.587 150 W HA 0.486 5.144 4.660 -0.002 0.000 0.324 150 W C -1.068 175.679 176.519 0.381 0.000 1.040 150 W CA -0.122 57.336 57.345 0.188 0.000 1.222 150 W CB 1.015 30.469 29.460 -0.009 0.000 1.381 150 W HN 0.124 nan 8.180 nan 0.000 0.483 151 L N 2.745 124.297 121.223 0.550 0.000 2.354 151 L HA 0.547 4.885 4.340 -0.002 0.000 0.269 151 L C -1.040 176.024 176.870 0.324 0.000 1.005 151 L CA -0.768 54.327 54.840 0.425 0.000 0.819 151 L CB 1.344 43.521 42.059 0.197 0.000 1.311 151 L HN 0.397 nan 8.230 nan 0.000 0.423 152 W N 2.944 124.173 121.300 -0.117 0.000 2.532 152 W HA 0.706 5.364 4.660 -0.002 0.000 0.321 152 W C -0.536 175.793 176.519 -0.317 0.000 1.037 152 W CA -0.763 56.323 57.345 -0.433 0.000 1.220 152 W CB 1.417 30.388 29.460 -0.814 0.000 1.361 152 W HN 0.418 nan 8.180 nan 0.000 0.468 153 R N 5.738 125.632 120.500 -1.011 0.000 2.343 153 R HA 0.481 4.820 4.340 -0.002 0.000 0.320 153 R C -1.448 173.959 176.300 -1.488 0.000 0.956 153 R CA -0.513 54.974 56.100 -1.022 0.000 0.836 153 R CB 0.658 30.518 30.300 -0.732 0.000 1.151 153 R HN 0.542 nan 8.270 nan 0.000 0.450 154 C N 5.418 123.826 119.300 -1.488 0.000 2.285 154 C HA 0.439 4.898 4.460 -0.002 0.000 0.335 154 C C 0.268 174.701 174.990 -0.927 0.000 1.267 154 C CA -0.418 57.848 59.018 -1.254 0.000 1.762 154 C CB -0.460 26.647 27.740 -1.055 0.000 2.365 154 C HN 1.026 nan 8.230 nan 0.000 0.527 155 H N 4.462 123.238 119.070 -0.489 0.000 2.586 155 H HA 0.289 4.844 4.556 -0.002 0.000 0.273 155 H C 0.742 175.921 175.328 -0.248 0.000 0.997 155 H CA 0.155 55.972 56.048 -0.384 0.000 1.177 155 H CB 0.038 29.758 29.762 -0.070 0.000 1.471 155 H HN 0.771 nan 8.280 nan 0.000 0.538 156 I N -2.757 117.722 120.570 -0.150 0.000 3.062 156 I HA 0.297 4.466 4.170 -0.002 0.000 0.316 156 I C -0.044 175.837 176.117 -0.392 0.000 1.041 156 I CA -1.150 60.088 61.300 -0.103 0.000 1.069 156 I CB 1.539 39.544 38.000 0.008 0.000 1.300 156 I HN -0.149 nan 8.210 nan 0.000 0.518 157 D N 3.872 124.041 120.400 -0.384 0.000 2.374 157 D HA 0.108 4.747 4.640 -0.002 0.000 0.240 157 D C -0.654 175.268 176.300 -0.630 0.000 1.229 157 D CA -0.123 53.441 54.000 -0.727 0.000 0.895 157 D CB 1.104 41.790 40.800 -0.190 0.000 1.046 157 D HN 0.435 nan 8.370 nan 0.000 0.498 158 L N 4.853 125.529 121.223 -0.912 0.000 2.956 158 L HA 0.087 4.426 4.340 -0.002 0.000 0.232 158 L C 1.373 178.154 176.870 -0.148 0.000 1.291 158 L CA 0.088 54.698 54.840 -0.383 0.000 1.122 158 L CB -0.240 41.663 42.059 -0.261 0.000 1.461 158 L HN 0.377 nan 8.230 nan 0.000 0.470 159 S N -1.754 113.947 115.700 0.003 0.000 2.441 159 S HA 0.113 4.582 4.470 -0.002 0.000 0.224 159 S C 0.859 175.425 174.600 -0.057 0.000 1.043 159 S CA -0.088 58.166 58.200 0.091 0.000 0.948 159 S CB 0.337 63.644 63.200 0.179 0.000 0.810 159 S HN 0.386 nan 8.310 nan 0.000 0.504 160 S N 2.983 118.631 115.700 -0.086 0.000 2.486 160 S HA 0.388 4.857 4.470 -0.002 0.000 0.144 160 S C -2.888 171.655 174.600 -0.094 0.000 1.542 160 S CA -0.973 57.171 58.200 -0.093 0.000 1.262 160 S CB 1.419 64.573 63.200 -0.077 0.000 1.462 160 S HN 0.460 nan 8.310 nan 0.000 0.381 161 P HA 0.130 nan 4.420 nan 0.000 0.274 161 P C -0.445 176.862 177.300 0.012 0.000 1.231 161 P CA -0.406 62.659 63.100 -0.059 0.000 0.790 161 P CB 0.495 32.163 31.700 -0.053 0.000 0.951 162 N N 1.602 120.313 118.700 0.019 0.000 2.429 162 N HA -0.065 4.673 4.740 -0.002 0.000 0.271 162 N C 1.655 177.281 175.510 0.193 0.000 1.272 162 N CA -0.274 52.819 53.050 0.072 0.000 0.921 162 N CB 0.260 38.753 38.487 0.011 0.000 1.128 162 N HN 0.327 nan 8.380 nan 0.000 0.481 163 R N 3.281 123.875 120.500 0.157 0.000 2.162 163 R HA -0.319 4.020 4.340 -0.002 0.000 0.245 163 R C 1.575 177.987 176.300 0.187 0.000 1.129 163 R CA 2.591 58.804 56.100 0.188 0.000 0.940 163 R CB -0.300 30.069 30.300 0.115 0.000 0.875 163 R HN 0.862 nan 8.270 nan 0.000 0.437 164 E N -0.894 119.382 120.200 0.127 0.000 2.204 164 E HA -0.208 4.141 4.350 -0.002 0.000 0.195 164 E C 1.780 178.346 176.600 -0.056 0.000 0.990 164 E CA 1.282 57.683 56.400 0.002 0.000 0.821 164 E CB -0.376 29.265 29.700 -0.098 0.000 0.750 164 E HN 0.410 nan 8.360 nan 0.000 0.477 165 F N 0.468 120.392 119.950 -0.043 0.000 2.219 165 F HA 0.029 4.555 4.527 -0.002 0.000 0.294 165 F C 2.322 178.201 175.800 0.132 0.000 1.086 165 F CA 0.895 58.838 58.000 -0.096 0.000 1.330 165 F CB -0.564 38.290 39.000 -0.244 0.000 1.047 165 F HN 0.165 nan 8.300 nan 0.000 0.495 166 W N 1.784 123.195 121.300 0.184 0.000 2.358 166 W HA -0.213 4.446 4.660 -0.002 0.000 0.303 166 W C 2.115 178.679 176.519 0.074 0.000 1.208 166 W CA 1.818 59.237 57.345 0.123 0.000 1.274 166 W CB -0.365 29.140 29.460 0.075 0.000 1.138 166 W HN 0.193 nan 8.180 nan 0.000 0.515 167 E N 0.054 120.173 120.200 -0.136 0.000 2.085 167 E HA -0.309 4.040 4.350 -0.002 0.000 0.194 167 E C 2.150 178.584 176.600 -0.278 0.000 0.994 167 E CA 1.808 58.029 56.400 -0.298 0.000 0.801 167 E CB -0.804 28.838 29.700 -0.096 0.000 0.743 167 E HN 0.218 nan 8.360 nan 0.000 0.453 168 F N 0.988 120.785 119.950 -0.255 0.000 2.113 168 F HA -0.154 4.372 4.527 -0.002 0.000 0.297 168 F C 2.022 177.688 175.800 -0.223 0.000 1.103 168 F CA 1.214 59.092 58.000 -0.204 0.000 1.248 168 F CB -0.530 38.438 39.000 -0.053 0.000 0.999 168 F HN 0.143 nan 8.300 nan 0.000 0.475 169 L N 1.049 122.195 121.223 -0.128 0.000 2.046 169 L HA -0.146 4.192 4.340 -0.002 0.000 0.208 169 L C 2.598 179.137 176.870 -0.553 0.000 1.077 169 L CA 1.807 56.549 54.840 -0.163 0.000 0.747 169 L CB -1.018 41.088 42.059 0.079 0.000 0.896 169 L HN 0.195 nan 8.230 nan 0.000 0.432 170 R N -0.280 119.648 120.500 -0.954 0.000 2.117 170 R HA -0.239 4.100 4.340 -0.002 0.000 0.243 170 R C 2.509 178.404 176.300 -0.674 0.000 1.143 170 R CA 1.727 57.193 56.100 -1.057 0.000 0.968 170 R CB -0.410 29.151 30.300 -1.233 0.000 0.863 170 R HN 0.434 nan 8.270 nan 0.000 0.444 171 R N -0.237 119.834 120.500 -0.715 0.000 2.113 171 R HA -0.203 4.135 4.340 -0.002 0.000 0.244 171 R C 1.938 177.852 176.300 -0.643 0.000 1.142 171 R CA 2.207 57.873 56.100 -0.724 0.000 0.953 171 R CB -0.369 29.322 30.300 -1.016 0.000 0.860 171 R HN 0.213 nan 8.270 nan 0.000 0.438 172 F N -0.103 119.652 119.950 -0.325 0.000 2.149 172 F HA -0.061 4.465 4.527 -0.002 0.000 0.294 172 F C 2.483 178.244 175.800 -0.065 0.000 1.095 172 F CA 0.586 58.476 58.000 -0.182 0.000 1.276 172 F CB -0.977 37.943 39.000 -0.134 0.000 1.023 172 F HN -0.213 nan 8.300 nan 0.000 0.480 173 V N 0.362 120.181 119.914 -0.158 0.000 2.282 173 V HA -0.317 3.802 4.120 -0.002 0.000 0.249 173 V C 2.079 178.173 176.094 -0.000 0.000 1.057 173 V CA 2.156 64.270 62.300 -0.310 0.000 1.032 173 V CB -0.723 30.668 31.823 -0.720 0.000 0.645 173 V HN 0.343 nan 8.190 nan 0.000 0.447 174 E N -0.585 119.519 120.200 -0.159 0.000 2.463 174 E HA -0.170 4.179 4.350 -0.002 0.000 0.201 174 E C 1.987 178.675 176.600 0.147 0.000 1.045 174 E CA 0.480 56.862 56.400 -0.031 0.000 0.872 174 E CB -0.059 29.567 29.700 -0.123 0.000 0.797 174 E HN 0.580 nan 8.360 nan 0.000 0.538 175 K N -0.268 120.204 120.400 0.120 0.000 2.400 175 K HA 0.013 4.332 4.320 -0.002 0.000 0.194 175 K C -0.067 176.556 176.600 0.039 0.000 1.033 175 K CA 0.141 56.434 56.287 0.010 0.000 1.021 175 K CB 0.279 32.698 32.500 -0.134 0.000 0.808 175 K HN 0.051 nan 8.250 nan 0.000 0.505 176 Y N 1.281 121.712 120.300 0.218 0.000 2.300 176 Y HA -0.022 4.527 4.550 -0.002 0.000 0.328 176 Y C 1.409 177.474 175.900 0.275 0.000 1.270 176 Y CA -0.206 58.081 58.100 0.311 0.000 1.352 176 Y CB 0.608 39.333 38.460 0.441 0.000 1.286 176 Y HN -0.025 nan 8.280 nan 0.000 0.536 177 D N 0.698 121.310 120.400 0.353 0.000 2.289 177 D HA -0.011 4.628 4.640 -0.002 0.000 0.207 177 D C 0.237 176.544 176.300 0.013 0.000 0.966 177 D CA 1.192 55.292 54.000 0.167 0.000 0.868 177 D CB 0.427 41.326 40.800 0.165 0.000 0.943 177 D HN 0.314 nan 8.370 nan 0.000 0.514 178 R N -0.023 120.517 120.500 0.067 0.000 2.626 178 R HA 0.319 4.657 4.340 -0.002 0.000 0.274 178 R C -1.361 174.974 176.300 0.059 0.000 1.031 178 R CA -0.645 55.376 56.100 -0.132 0.000 0.898 178 R CB 1.216 31.520 30.300 0.008 0.000 1.222 178 R HN -0.008 nan 8.270 nan 0.000 0.455 179 Y N 2.177 122.615 120.300 0.229 0.000 2.326 179 Y HA 0.587 5.135 4.550 -0.002 0.000 0.331 179 Y C 0.481 176.382 175.900 0.002 0.000 0.962 179 Y CA -0.975 57.242 58.100 0.194 0.000 1.167 179 Y CB 1.564 40.294 38.460 0.451 0.000 1.148 179 Y HN 0.287 nan 8.280 nan 0.000 0.463 180 I N 4.694 125.146 120.570 -0.197 0.000 2.339 180 I HA 0.416 4.585 4.170 -0.002 0.000 0.290 180 I C -0.941 174.839 176.117 -0.561 0.000 0.994 180 I CA -0.456 60.702 61.300 -0.236 0.000 1.191 180 I CB 0.769 38.661 38.000 -0.180 0.000 1.343 180 I HN 0.441 nan 8.210 nan 0.000 0.458 181 F N 3.100 123.043 119.950 -0.013 0.000 2.598 181 F HA 0.423 4.949 4.527 -0.002 0.000 0.327 181 F C 1.270 177.111 175.800 0.067 0.000 1.057 181 F CA -0.696 57.293 58.000 -0.019 0.000 0.957 181 F CB 0.734 39.804 39.000 0.116 0.000 1.278 181 F HN 0.350 nan 8.300 nan 0.000 0.484 182 H N 0.582 119.827 119.070 0.291 0.000 2.395 182 H HA 0.276 4.831 4.556 -0.002 0.000 0.299 182 H C -0.089 175.288 175.328 0.081 0.000 1.070 182 H CA 1.254 57.383 56.048 0.134 0.000 1.356 182 H CB 0.064 29.975 29.762 0.248 0.000 1.401 182 H HN 0.202 nan 8.280 nan 0.000 0.524 183 L N -0.891 120.448 121.223 0.192 0.000 2.424 183 L HA 0.234 4.572 4.340 -0.002 0.000 0.258 183 L C -1.705 175.059 176.870 -0.177 0.000 0.995 183 L CA -2.026 52.740 54.840 -0.123 0.000 0.821 183 L CB 2.977 44.796 42.059 -0.399 0.000 1.383 183 L HN -0.218 nan 8.230 nan 0.000 0.410 184 P HA -0.209 nan 4.420 nan 0.000 0.216 184 P C 1.010 178.186 177.300 -0.207 0.000 1.150 184 P CA 1.209 64.211 63.100 -0.163 0.000 0.843 184 P CB 0.142 31.749 31.700 -0.154 0.000 0.787 185 E N -1.942 118.090 120.200 -0.279 0.000 2.472 185 E HA -0.181 4.168 4.350 -0.002 0.000 0.200 185 E C 0.733 177.222 176.600 -0.184 0.000 1.046 185 E CA 0.837 57.086 56.400 -0.252 0.000 0.871 185 E CB -0.678 28.858 29.700 -0.274 0.000 0.806 185 E HN 0.296 nan 8.360 nan 0.000 0.533 186 Y N 0.764 120.937 120.300 -0.211 0.000 2.500 186 Y HA 0.187 4.736 4.550 -0.002 0.000 0.270 186 Y C 0.781 176.261 175.900 -0.699 0.000 1.134 186 Y CA -0.843 57.071 58.100 -0.311 0.000 1.293 186 Y CB 0.438 38.834 38.460 -0.106 0.000 1.063 186 Y HN -0.138 nan 8.280 nan 0.000 0.534 187 V N 3.288 122.865 119.914 -0.563 0.000 2.381 187 V HA 0.038 4.157 4.120 -0.002 0.000 0.257 187 V C 0.264 176.127 176.094 -0.386 0.000 1.057 187 V CA -0.819 61.045 62.300 -0.725 0.000 1.013 187 V CB -0.083 31.500 31.823 -0.401 0.000 1.069 187 V HN 0.116 nan 8.190 nan 0.000 0.484 188 Q N 7.885 127.450 119.800 -0.392 0.000 2.286 188 Q HA 0.054 4.392 4.340 -0.002 0.000 0.290 188 Q C -0.994 174.978 176.000 -0.047 0.000 1.049 188 Q CA -1.371 54.305 55.803 -0.212 0.000 0.923 188 Q CB 0.692 29.311 28.738 -0.198 0.000 1.183 188 Q HN 0.467 nan 8.270 nan 0.000 0.383 189 P HA -0.221 nan 4.420 nan 0.000 0.218 189 P C 0.198 177.530 177.300 0.054 0.000 1.146 189 P CA 1.473 64.578 63.100 0.008 0.000 0.820 189 P CB 0.425 32.125 31.700 -0.001 0.000 0.778 190 E N 0.018 120.274 120.200 0.093 0.000 2.110 190 E HA -0.066 4.283 4.350 -0.002 0.000 0.193 190 E C 1.052 177.720 176.600 0.113 0.000 0.988 190 E CA 0.267 56.730 56.400 0.105 0.000 0.804 190 E CB -0.588 29.198 29.700 0.143 0.000 0.745 190 E HN 0.302 nan 8.360 nan 0.000 0.458 191 L N 2.103 123.415 121.223 0.147 0.000 2.483 191 L HA -0.007 4.331 4.340 -0.002 0.000 0.275 191 L C 0.672 177.691 176.870 0.248 0.000 1.220 191 L CA -0.272 54.687 54.840 0.198 0.000 0.833 191 L CB 0.136 42.338 42.059 0.239 0.000 1.102 191 L HN 0.094 nan 8.230 nan 0.000 0.490 192 D N 2.434 123.052 120.400 0.363 0.000 2.342 192 D HA -0.021 4.618 4.640 -0.002 0.000 0.260 192 D C 1.127 177.570 176.300 0.238 0.000 1.278 192 D CA -0.157 53.999 54.000 0.261 0.000 0.910 192 D CB 0.762 41.710 40.800 0.247 0.000 1.079 192 D HN 0.352 nan 8.370 nan 0.000 0.496 193 R N 3.220 123.811 120.500 0.152 0.000 2.170 193 R HA -0.131 4.208 4.340 -0.002 0.000 0.242 193 R C 0.967 177.315 176.300 0.080 0.000 1.145 193 R CA 0.694 56.861 56.100 0.112 0.000 0.984 193 R CB -0.228 30.113 30.300 0.067 0.000 0.869 193 R HN 0.536 nan 8.270 nan 0.000 0.455 194 N N 0.691 119.428 118.700 0.062 0.000 2.461 194 N HA -0.034 4.705 4.740 -0.002 0.000 0.188 194 N C 0.878 176.382 175.510 -0.011 0.000 1.134 194 N CA 0.631 53.698 53.050 0.027 0.000 0.878 194 N CB 0.286 38.789 38.487 0.026 0.000 0.972 194 N HN 0.333 nan 8.380 nan 0.000 0.456 195 K N -0.226 120.148 120.400 -0.044 0.000 2.380 195 K HA 0.277 4.596 4.320 -0.002 0.000 0.198 195 K C 0.273 176.677 176.600 -0.327 0.000 1.070 195 K CA -0.169 55.963 56.287 -0.259 0.000 1.040 195 K CB 1.115 33.340 32.500 -0.458 0.000 0.903 195 K HN -0.042 nan 8.250 nan 0.000 0.549 196 A N 1.567 124.394 122.820 0.012 0.000 2.327 196 A HA 0.521 4.840 4.320 -0.002 0.000 0.283 196 A C -0.306 177.377 177.584 0.164 0.000 1.127 196 A CA -0.264 51.930 52.037 0.262 0.000 0.810 196 A CB 0.642 19.865 19.000 0.371 0.000 1.066 196 A HN -0.038 nan 8.150 nan 0.000 0.492 197 V N 3.354 123.398 119.914 0.217 0.000 2.841 197 V HA 0.351 4.470 4.120 -0.002 0.000 0.310 197 V C -0.785 175.401 176.094 0.153 0.000 1.090 197 V CA -0.637 61.736 62.300 0.121 0.000 0.930 197 V CB 1.906 33.758 31.823 0.048 0.000 1.014 197 V HN 0.726 nan 8.190 nan 0.000 0.425 198 I N 4.515 125.138 120.570 0.088 0.000 2.321 198 I HA 0.502 4.670 4.170 -0.002 0.000 0.291 198 I C -0.210 175.923 176.117 0.027 0.000 0.998 198 I CA -0.175 61.172 61.300 0.078 0.000 1.227 198 I CB 1.187 39.201 38.000 0.022 0.000 1.368 198 I HN 0.565 nan 8.210 nan 0.000 0.466 199 M N 8.899 128.515 119.600 0.026 0.000 2.067 199 M HA 0.316 4.795 4.480 -0.002 0.000 0.286 199 M C -2.528 173.758 176.300 -0.024 0.000 0.922 199 M CA -1.524 53.765 55.300 -0.018 0.000 0.937 199 M CB 2.741 35.286 32.600 -0.093 0.000 1.550 199 M HN 0.209 nan 8.290 nan 0.000 0.433 200 P HA 0.273 nan 4.420 nan 0.000 0.274 200 P C -2.827 174.085 177.300 -0.647 0.000 1.237 200 P CA -1.022 61.748 63.100 -0.549 0.000 0.793 200 P CB -0.212 31.103 31.700 -0.642 0.000 0.977 201 P HA 0.070 nan 4.420 nan 0.000 0.274 201 P C -0.212 176.748 177.300 -0.566 0.000 1.246 201 P CA 0.053 62.703 63.100 -0.751 0.000 0.795 201 P CB 0.575 31.804 31.700 -0.785 0.000 1.006 202 S N 0.453 115.887 115.700 -0.443 0.000 2.715 202 S HA 0.787 5.255 4.470 -0.002 0.000 0.307 202 S C 0.103 174.596 174.600 -0.178 0.000 1.119 202 S CA -0.925 57.124 58.200 -0.250 0.000 0.937 202 S CB 0.953 63.993 63.200 -0.266 0.000 1.150 202 S HN 0.503 nan 8.310 nan 0.000 0.521 203 I N -1.187 119.304 120.570 -0.133 0.000 2.562 203 I HA 0.676 4.845 4.170 -0.002 0.000 0.301 203 I C -1.267 174.736 176.117 -0.190 0.000 1.003 203 I CA -0.652 60.564 61.300 -0.141 0.000 1.127 203 I CB 1.688 39.602 38.000 -0.144 0.000 1.304 203 I HN 0.542 nan 8.210 nan 0.000 0.446 204 D N 6.345 126.665 120.400 -0.132 0.000 2.412 204 D HA 0.401 5.040 4.640 -0.002 0.000 0.224 204 D C -1.903 174.353 176.300 -0.073 0.000 1.093 204 D CA -2.519 51.438 54.000 -0.071 0.000 0.850 204 D CB 1.904 42.709 40.800 0.009 0.000 1.046 204 D HN 0.284 nan 8.370 nan 0.000 0.507 205 P HA -0.101 nan 4.420 nan 0.000 0.220 205 P C 1.072 178.417 177.300 0.076 0.000 1.144 205 P CA 0.989 64.025 63.100 -0.107 0.000 0.800 205 P CB 0.235 31.885 31.700 -0.083 0.000 0.772 206 L N -1.850 119.412 121.223 0.066 0.000 2.592 206 L HA 0.104 4.443 4.340 -0.002 0.000 0.227 206 L C 1.262 178.147 176.870 0.025 0.000 1.127 206 L CA -0.125 54.719 54.840 0.008 0.000 0.884 206 L CB -0.476 41.516 42.059 -0.112 0.000 1.065 206 L HN 0.004 nan 8.230 nan 0.000 0.457 207 S N -1.011 114.711 115.700 0.037 0.000 2.600 207 S HA 0.065 4.534 4.470 -0.002 0.000 0.265 207 S C 1.162 175.781 174.600 0.031 0.000 1.325 207 S CA -0.631 57.586 58.200 0.029 0.000 1.002 207 S CB 1.133 64.345 63.200 0.020 0.000 0.921 207 S HN 0.081 nan 8.310 nan 0.000 0.554 208 E N 0.862 121.076 120.200 0.023 0.000 2.160 208 E HA -0.161 4.188 4.350 -0.002 0.000 0.195 208 E C 1.716 178.335 176.600 0.032 0.000 0.991 208 E CA 1.374 57.788 56.400 0.023 0.000 0.810 208 E CB -0.347 29.363 29.700 0.015 0.000 0.742 208 E HN 0.775 nan 8.360 nan 0.000 0.466 209 K N 0.835 121.257 120.400 0.037 0.000 2.155 209 K HA -0.020 4.298 4.320 -0.002 0.000 0.203 209 K C 1.295 177.941 176.600 0.076 0.000 1.052 209 K CA 1.094 57.409 56.287 0.046 0.000 0.948 209 K CB 0.200 32.727 32.500 0.044 0.000 0.728 209 K HN 0.003 nan 8.250 nan 0.000 0.448 210 N N -0.311 118.444 118.700 0.091 0.000 2.227 210 N HA 0.001 4.739 4.740 -0.002 0.000 0.196 210 N C -0.409 175.234 175.510 0.222 0.000 1.142 210 N CA -0.012 53.143 53.050 0.176 0.000 0.887 210 N CB 0.537 39.092 38.487 0.114 0.000 1.022 210 N HN 0.005 nan 8.380 nan 0.000 0.500 211 V N 2.334 122.328 119.914 0.133 0.000 2.788 211 V HA -0.081 4.038 4.120 -0.002 0.000 0.307 211 V C 0.594 176.754 176.094 0.110 0.000 1.069 211 V CA -0.032 62.340 62.300 0.119 0.000 1.173 211 V CB 0.529 32.388 31.823 0.059 0.000 0.925 211 V HN 0.217 nan 8.190 nan 0.000 0.492 212 E N 5.802 126.064 120.200 0.103 0.000 2.265 212 E HA 0.239 4.587 4.350 -0.002 0.000 0.272 212 E C -0.547 176.072 176.600 0.031 0.000 1.067 212 E CA -0.326 56.108 56.400 0.057 0.000 0.900 212 E CB 0.462 30.183 29.700 0.034 0.000 1.017 212 E HN 0.666 nan 8.360 nan 0.000 0.431 213 L N 4.233 125.469 121.223 0.021 0.000 2.421 213 L HA 0.320 4.659 4.340 -0.002 0.000 0.263 213 L C 0.556 177.429 176.870 0.005 0.000 1.122 213 L CA -0.537 54.309 54.840 0.010 0.000 0.804 213 L CB 0.856 42.916 42.059 0.001 0.000 1.150 213 L HN 0.437 nan 8.230 nan 0.000 0.457 214 K N 0.940 121.343 120.400 0.004 0.000 2.144 214 K HA 0.097 4.416 4.320 -0.002 0.000 0.270 214 K C 0.590 177.193 176.600 0.005 0.000 1.005 214 K CA -0.427 55.862 56.287 0.003 0.000 0.932 214 K CB 1.460 33.962 32.500 0.004 0.000 1.021 214 K HN 0.531 nan 8.250 nan 0.000 0.462 215 Q N 1.326 121.129 119.800 0.005 0.000 2.133 215 Q HA -0.257 4.081 4.340 -0.002 0.000 0.208 215 Q C 1.529 177.537 176.000 0.013 0.000 0.991 215 Q CA 2.760 58.569 55.803 0.009 0.000 0.867 215 Q CB -0.107 28.637 28.738 0.008 0.000 0.911 215 Q HN 0.884 nan 8.270 nan 0.000 0.417 216 T N -2.018 112.542 114.554 0.010 0.000 2.746 216 T HA -0.214 4.135 4.350 -0.002 0.000 0.267 216 T C 1.637 176.345 174.700 0.014 0.000 1.039 216 T CA 1.488 63.595 62.100 0.012 0.000 1.142 216 T CB -0.372 68.502 68.868 0.009 0.000 0.866 216 T HN 0.474 nan 8.240 nan 0.000 0.444 217 E N 0.707 120.914 120.200 0.011 0.000 2.106 217 E HA -0.041 4.307 4.350 -0.002 0.000 0.192 217 E C 2.193 178.800 176.600 0.011 0.000 0.984 217 E CA 0.788 57.195 56.400 0.011 0.000 0.806 217 E CB -0.272 29.431 29.700 0.005 0.000 0.750 217 E HN 0.631 nan 8.360 nan 0.000 0.458 218 I N 0.863 121.439 120.570 0.010 0.000 2.179 218 I HA -0.291 3.877 4.170 -0.002 0.000 0.242 218 I C 2.328 178.468 176.117 0.039 0.000 1.088 218 I CA 0.905 62.212 61.300 0.011 0.000 1.357 218 I CB -0.188 37.820 38.000 0.014 0.000 1.051 218 I HN 0.213 nan 8.210 nan 0.000 0.409 219 L N 0.225 121.472 121.223 0.040 0.000 2.083 219 L HA -0.203 4.136 4.340 -0.002 0.000 0.209 219 L C 2.747 179.652 176.870 0.059 0.000 1.083 219 L CA 1.199 56.071 54.840 0.053 0.000 0.752 219 L CB -0.613 41.469 42.059 0.038 0.000 0.899 219 L HN 0.253 nan 8.230 nan 0.000 0.433 220 R N 0.831 121.358 120.500 0.045 0.000 2.096 220 R HA -0.153 4.186 4.340 -0.002 0.000 0.235 220 R C 2.241 178.583 176.300 0.070 0.000 1.127 220 R CA 1.439 57.564 56.100 0.042 0.000 0.968 220 R CB -0.170 30.147 30.300 0.029 0.000 0.861 220 R HN 0.286 nan 8.270 nan 0.000 0.440 221 I N 0.596 121.219 120.570 0.088 0.000 2.286 221 I HA -0.256 3.913 4.170 -0.002 0.000 0.245 221 I C 2.105 178.403 176.117 0.302 0.000 1.104 221 I CA 0.944 62.343 61.300 0.165 0.000 1.397 221 I CB -0.136 37.885 38.000 0.035 0.000 1.072 221 I HN 0.218 nan 8.210 nan 0.000 0.417 222 L N 0.330 121.693 121.223 0.232 0.000 2.079 222 L HA -0.223 4.115 4.340 -0.002 0.000 0.210 222 L C 2.452 179.465 176.870 0.239 0.000 1.081 222 L CA 1.525 56.543 54.840 0.296 0.000 0.752 222 L CB -0.639 41.539 42.059 0.199 0.000 0.896 222 L HN 0.311 nan 8.230 nan 0.000 0.433 223 E N -0.093 120.193 120.200 0.143 0.000 2.106 223 E HA -0.186 4.163 4.350 -0.002 0.000 0.192 223 E C 2.308 178.926 176.600 0.029 0.000 0.984 223 E CA 0.711 57.157 56.400 0.078 0.000 0.806 223 E CB -0.013 29.712 29.700 0.042 0.000 0.750 223 E HN 0.429 nan 8.360 nan 0.000 0.458 224 R N -0.157 120.339 120.500 -0.008 0.000 2.120 224 R HA -0.086 4.253 4.340 -0.002 0.000 0.234 224 R C 1.060 177.084 176.300 -0.460 0.000 1.123 224 R CA 1.049 56.991 56.100 -0.264 0.000 0.975 224 R CB -0.021 30.037 30.300 -0.404 0.000 0.866 224 R HN 0.133 nan 8.270 nan 0.000 0.446 225 F N -0.112 119.924 119.950 0.143 0.000 2.647 225 F HA 0.155 4.680 4.527 -0.002 0.000 0.300 225 F C -0.053 175.803 175.800 0.093 0.000 1.106 225 F CA -0.583 57.502 58.000 0.141 0.000 1.313 225 F CB 0.233 39.373 39.000 0.234 0.000 1.007 225 F HN -0.055 nan 8.300 nan 0.000 0.536 226 D N 1.172 121.669 120.400 0.161 0.000 2.689 226 D HA -0.179 4.460 4.640 -0.002 0.000 0.237 226 D C -1.083 175.294 176.300 0.128 0.000 1.148 226 D CA 0.275 54.345 54.000 0.117 0.000 0.656 226 D CB -0.776 40.078 40.800 0.089 0.000 1.050 226 D HN 0.037 nan 8.370 nan 0.000 0.426 227 V N 1.459 121.468 119.914 0.158 0.000 2.384 227 V HA 0.334 4.453 4.120 -0.002 0.000 0.287 227 V C 0.241 176.402 176.094 0.113 0.000 1.020 227 V CA -0.759 61.619 62.300 0.130 0.000 0.850 227 V CB 1.735 33.660 31.823 0.170 0.000 0.987 227 V HN 0.250 nan 8.190 nan 0.000 0.436 228 D N 7.855 128.306 120.400 0.084 0.000 2.347 228 D HA 0.288 4.927 4.640 -0.002 0.000 0.235 228 D C -1.249 175.091 176.300 0.067 0.000 1.149 228 D CA -2.099 51.943 54.000 0.070 0.000 0.850 228 D CB 2.027 42.861 40.800 0.057 0.000 1.061 228 D HN 0.258 nan 8.370 nan 0.000 0.487 229 P HA -0.050 nan 4.420 nan 0.000 0.233 229 P C 0.484 177.811 177.300 0.045 0.000 1.167 229 P CA 0.451 63.587 63.100 0.060 0.000 0.770 229 P CB 0.641 32.377 31.700 0.061 0.000 0.837 230 E N 0.141 120.365 120.200 0.040 0.000 2.489 230 E HA 0.093 4.441 4.350 -0.002 0.000 0.193 230 E C 0.513 177.130 176.600 0.029 0.000 1.057 230 E CA 0.472 56.890 56.400 0.030 0.000 0.866 230 E CB 0.178 29.894 29.700 0.026 0.000 0.916 230 E HN 0.436 nan 8.360 nan 0.000 0.500 231 K N 0.756 121.178 120.400 0.037 0.000 2.267 231 K HA 0.406 4.725 4.320 -0.002 0.000 0.246 231 K C -2.699 173.927 176.600 0.043 0.000 0.954 231 K CA -2.338 53.972 56.287 0.038 0.000 0.824 231 K CB 1.573 34.099 32.500 0.044 0.000 1.167 231 K HN -0.245 nan 8.250 nan 0.000 0.431 232 P HA 0.041 nan 4.420 nan 0.000 0.265 232 P C -0.887 176.450 177.300 0.061 0.000 1.193 232 P CA 0.422 63.549 63.100 0.046 0.000 0.765 232 P CB 0.359 32.084 31.700 0.040 0.000 0.823 233 I N 4.169 124.774 120.570 0.058 0.000 2.478 233 I HA 0.416 4.585 4.170 -0.002 0.000 0.287 233 I C 0.212 176.363 176.117 0.057 0.000 1.042 233 I CA -0.924 60.411 61.300 0.058 0.000 1.067 233 I CB 1.436 39.468 38.000 0.054 0.000 1.233 233 I HN 0.243 nan 8.210 nan 0.000 0.431 234 I N 2.325 122.929 120.570 0.058 0.000 2.603 234 I HA 0.792 4.961 4.170 -0.002 0.000 0.300 234 I C -0.818 175.311 176.117 0.020 0.000 1.017 234 I CA -0.185 61.148 61.300 0.055 0.000 1.098 234 I CB 2.324 40.374 38.000 0.084 0.000 1.279 234 I HN 0.380 nan 8.210 nan 0.000 0.437 235 T N 4.231 118.796 114.554 0.018 0.000 2.956 235 T HA 0.362 4.710 4.350 -0.002 0.000 0.312 235 T C -1.220 173.476 174.700 -0.007 0.000 1.151 235 T CA -0.557 61.540 62.100 -0.006 0.000 1.024 235 T CB 1.988 70.863 68.868 0.012 0.000 1.140 235 T HN 0.761 nan 8.240 nan 0.000 0.473 236 Q N 2.152 121.932 119.800 -0.034 0.000 2.292 236 Q HA 0.649 4.988 4.340 -0.002 0.000 0.270 236 Q C -1.754 174.203 176.000 -0.072 0.000 1.024 236 Q CA -0.639 55.137 55.803 -0.045 0.000 0.768 236 Q CB 1.505 30.209 28.738 -0.056 0.000 1.250 236 Q HN 0.496 nan 8.270 nan 0.000 0.447 237 V N 2.961 122.843 119.914 -0.053 0.000 2.398 237 V HA 0.769 4.888 4.120 -0.002 0.000 0.286 237 V C -0.341 175.698 176.094 -0.092 0.000 1.026 237 V CA -0.249 62.019 62.300 -0.054 0.000 0.868 237 V CB 1.209 33.034 31.823 0.002 0.000 0.982 237 V HN 0.778 nan 8.190 nan 0.000 0.443 238 S N 4.292 119.898 115.700 -0.157 0.000 2.622 238 S HA 0.427 4.896 4.470 -0.002 0.000 0.275 238 S C -0.775 173.677 174.600 -0.246 0.000 1.112 238 S CA -0.912 57.184 58.200 -0.172 0.000 0.837 238 S CB 1.353 64.442 63.200 -0.185 0.000 1.082 238 S HN 0.918 nan 8.310 nan 0.000 0.456 239 R N 1.035 121.448 120.500 -0.144 0.000 2.694 239 R HA 0.381 4.720 4.340 -0.002 0.000 0.268 239 R C -1.131 175.077 176.300 -0.153 0.000 1.061 239 R CA 0.055 56.102 56.100 -0.088 0.000 1.133 239 R CB 0.111 30.384 30.300 -0.044 0.000 1.020 239 R HN 0.484 nan 8.270 nan 0.000 0.475 240 F N 3.125 123.024 119.950 -0.084 0.000 2.413 240 F HA 0.219 4.745 4.527 -0.000 0.000 0.359 240 F C -0.191 175.564 175.800 -0.075 0.000 1.122 240 F CA 0.065 58.085 58.000 0.032 0.000 1.160 240 F CB 0.835 39.934 39.000 0.165 0.000 1.146 240 F HN 0.646 nan 8.300 nan 0.000 0.514 241 D N 3.223 123.481 120.400 -0.237 0.000 2.623 241 D HA 0.262 4.901 4.640 -0.002 0.000 0.241 241 D C -2.635 172.863 176.300 -1.337 0.000 1.241 241 D CA -1.813 51.768 54.000 -0.698 0.000 0.788 241 D CB 1.882 42.495 40.800 -0.312 0.000 1.413 241 D HN 0.088 nan 8.370 nan 0.000 0.429 242 P HA -0.042 nan 4.420 nan 0.000 0.226 242 P C -0.074 176.452 177.300 -1.290 0.000 1.146 242 P CA 0.884 62.961 63.100 -1.706 0.000 0.773 242 P CB -0.040 30.649 31.700 -1.684 0.000 0.772 243 W N -0.169 120.935 121.300 -0.327 0.000 3.067 243 W HA 0.315 4.975 4.660 -0.001 0.000 0.417 243 W C 1.277 177.704 176.519 -0.152 0.000 1.029 243 W CA -0.570 56.661 57.345 -0.191 0.000 1.992 243 W CB 0.343 29.716 29.460 -0.144 0.000 1.122 243 W HN -0.244 nan 8.180 nan 0.000 0.681 244 K N 0.227 120.573 120.400 -0.091 0.000 2.373 244 K HA 0.237 4.556 4.320 -0.002 0.000 0.202 244 K C 1.425 177.998 176.600 -0.044 0.000 1.025 244 K CA 0.413 56.661 56.287 -0.065 0.000 1.115 244 K CB 0.573 32.995 32.500 -0.130 0.000 0.858 244 K HN 0.217 nan 8.250 nan 0.000 0.525 245 G N 2.188 110.969 108.800 -0.031 0.000 2.179 245 G HA2 -0.294 3.665 3.960 -0.002 0.000 0.257 245 G HA3 -0.294 3.665 3.960 -0.002 0.000 0.257 245 G C 0.960 175.889 174.900 0.049 0.000 1.010 245 G CA 0.560 45.669 45.100 0.015 0.000 0.736 245 G HN 0.346 nan 8.290 nan 0.000 0.513 246 I N -0.695 119.904 120.570 0.048 0.000 2.163 246 I HA -0.142 4.027 4.170 -0.002 0.000 0.243 246 I C 2.464 178.780 176.117 0.333 0.000 1.085 246 I CA 1.367 62.755 61.300 0.148 0.000 1.347 246 I CB -0.357 37.758 38.000 0.193 0.000 1.044 246 I HN 0.188 nan 8.210 nan 0.000 0.408 247 F N 0.999 120.985 119.950 0.060 0.000 2.293 247 F HA -0.178 4.348 4.527 -0.002 0.000 0.300 247 F C 2.298 178.117 175.800 0.031 0.000 1.086 247 F CA 0.895 58.916 58.000 0.036 0.000 1.375 247 F CB -1.027 37.996 39.000 0.038 0.000 1.045 247 F HN 0.152 nan 8.300 nan 0.000 0.516 248 D N -0.119 120.416 120.400 0.225 0.000 2.117 248 D HA -0.115 4.523 4.640 -0.002 0.000 0.198 248 D C 2.553 178.918 176.300 0.108 0.000 0.982 248 D CA 1.030 55.110 54.000 0.133 0.000 0.828 248 D CB -0.409 40.448 40.800 0.095 0.000 0.967 248 D HN 0.095 nan 8.370 nan 0.000 0.464 249 V N 1.260 121.237 119.914 0.106 0.000 2.490 249 V HA -0.187 3.932 4.120 -0.002 0.000 0.250 249 V C 2.481 178.641 176.094 0.111 0.000 1.061 249 V CA 0.911 63.263 62.300 0.087 0.000 1.064 249 V CB -0.250 31.605 31.823 0.053 0.000 0.670 249 V HN 0.185 nan 8.190 nan 0.000 0.461 250 I N -0.004 120.630 120.570 0.107 0.000 2.252 250 I HA -0.245 3.924 4.170 -0.002 0.000 0.245 250 I C 2.592 178.799 176.117 0.150 0.000 1.102 250 I CA 1.860 63.225 61.300 0.108 0.000 1.385 250 I CB -0.256 37.747 38.000 0.005 0.000 1.064 250 I HN 0.410 nan 8.210 nan 0.000 0.414 251 E N 1.512 121.768 120.200 0.092 0.000 2.106 251 E HA -0.212 4.137 4.350 -0.002 0.000 0.192 251 E C 2.315 178.949 176.600 0.056 0.000 0.984 251 E CA 1.184 57.620 56.400 0.059 0.000 0.806 251 E CB 0.010 29.740 29.700 0.050 0.000 0.750 251 E HN 0.453 nan 8.360 nan 0.000 0.458 252 I N 0.498 121.115 120.570 0.079 0.000 2.179 252 I HA -0.272 3.897 4.170 -0.002 0.000 0.242 252 I C 2.458 178.620 176.117 0.076 0.000 1.088 252 I CA 1.355 62.694 61.300 0.065 0.000 1.357 252 I CB -0.474 37.569 38.000 0.072 0.000 1.051 252 I HN 0.277 nan 8.210 nan 0.000 0.409 253 Y N 2.063 122.362 120.300 -0.003 0.000 2.128 253 Y HA -0.269 4.279 4.550 -0.002 0.000 0.284 253 Y C 2.673 178.565 175.900 -0.013 0.000 1.154 253 Y CA 1.540 59.635 58.100 -0.008 0.000 1.149 253 Y CB -0.442 38.011 38.460 -0.012 0.000 0.976 253 Y HN -0.067 nan 8.280 nan 0.000 0.505 254 R N 0.407 120.752 120.500 -0.258 0.000 2.091 254 R HA -0.150 4.188 4.340 -0.002 0.000 0.238 254 R C 2.325 178.478 176.300 -0.246 0.000 1.136 254 R CA 2.033 57.919 56.100 -0.357 0.000 0.959 254 R CB -0.220 30.013 30.300 -0.112 0.000 0.856 254 R HN 0.371 nan 8.270 nan 0.000 0.437 255 K N -0.043 120.279 120.400 -0.131 0.000 2.097 255 K HA -0.063 4.256 4.320 -0.002 0.000 0.205 255 K C 2.014 178.554 176.600 -0.100 0.000 1.050 255 K CA 1.088 57.321 56.287 -0.091 0.000 0.938 255 K CB 0.032 32.505 32.500 -0.045 0.000 0.718 255 K HN 0.008 nan 8.250 nan 0.000 0.442 256 V N 1.732 121.582 119.914 -0.108 0.000 2.427 256 V HA -0.219 3.899 4.120 -0.002 0.000 0.248 256 V C 2.206 178.224 176.094 -0.127 0.000 1.051 256 V CA 1.552 63.802 62.300 -0.085 0.000 1.048 256 V CB -0.315 31.484 31.823 -0.040 0.000 0.666 256 V HN 0.280 nan 8.190 nan 0.000 0.456 257 K N -0.082 120.172 120.400 -0.243 0.000 2.280 257 K HA -0.197 4.121 4.320 -0.002 0.000 0.202 257 K C 2.024 178.531 176.600 -0.156 0.000 1.047 257 K CA 1.260 57.396 56.287 -0.252 0.000 0.942 257 K CB -0.055 32.161 32.500 -0.472 0.000 0.739 257 K HN 0.579 nan 8.250 nan 0.000 0.457 258 E N 0.017 120.137 120.200 -0.134 0.000 2.110 258 E HA -0.187 4.162 4.350 -0.002 0.000 0.193 258 E C 1.569 178.131 176.600 -0.064 0.000 0.988 258 E CA 1.210 57.557 56.400 -0.088 0.000 0.804 258 E CB 0.168 29.824 29.700 -0.073 0.000 0.745 258 E HN 0.257 nan 8.360 nan 0.000 0.458 259 K N -0.221 120.143 120.400 -0.060 0.000 2.335 259 K HA 0.190 4.508 4.320 -0.002 0.000 0.195 259 K C 0.545 177.122 176.600 -0.039 0.000 1.058 259 K CA 0.304 56.566 56.287 -0.042 0.000 0.988 259 K CB 0.837 33.317 32.500 -0.032 0.000 0.880 259 K HN 0.017 nan 8.250 nan 0.000 0.513 260 I N 3.199 123.741 120.570 -0.046 0.000 2.621 260 I HA 0.122 4.291 4.170 -0.002 0.000 0.276 260 I C -1.889 174.203 176.117 -0.041 0.000 1.118 260 I CA -1.797 59.483 61.300 -0.033 0.000 1.159 260 I CB 1.461 39.448 38.000 -0.021 0.000 1.357 260 I HN -0.123 nan 8.210 nan 0.000 0.513 261 P HA -0.175 nan 4.420 nan 0.000 0.218 261 P C 1.280 178.575 177.300 -0.008 0.000 1.146 261 P CA 1.428 64.508 63.100 -0.034 0.000 0.813 261 P CB 0.306 31.992 31.700 -0.024 0.000 0.778 262 G N -0.152 108.653 108.800 0.008 0.000 3.042 262 G HA2 0.074 4.033 3.960 -0.002 0.000 0.212 262 G HA3 0.074 4.033 3.960 -0.002 0.000 0.212 262 G C 0.400 175.337 174.900 0.061 0.000 1.166 262 G CA -0.155 44.965 45.100 0.033 0.000 0.767 262 G HN 0.282 nan 8.290 nan 0.000 0.546 263 V N 0.419 120.369 119.914 0.061 0.000 2.763 263 V HA 0.235 4.354 4.120 -0.002 0.000 0.306 263 V C -0.278 175.956 176.094 0.234 0.000 1.059 263 V CA 0.187 62.556 62.300 0.115 0.000 1.138 263 V CB 1.124 33.001 31.823 0.091 0.000 0.940 263 V HN 0.474 nan 8.190 nan 0.000 0.489 264 Q N 4.546 124.460 119.800 0.190 0.000 2.345 264 Q HA 0.628 4.967 4.340 -0.002 0.000 0.268 264 Q C -1.300 174.720 176.000 0.033 0.000 1.054 264 Q CA -0.738 55.146 55.803 0.135 0.000 0.835 264 Q CB 2.481 31.255 28.738 0.060 0.000 1.339 264 Q HN 0.675 nan 8.270 nan 0.000 0.447 265 L N 2.665 123.752 121.223 -0.226 0.000 2.333 265 L HA 0.518 4.857 4.340 -0.002 0.000 0.280 265 L C -1.849 174.876 176.870 -0.243 0.000 1.004 265 L CA -0.361 54.289 54.840 -0.316 0.000 0.820 265 L CB 1.189 42.784 42.059 -0.773 0.000 1.247 265 L HN 0.554 nan 8.230 nan 0.000 0.416 266 L N 6.597 127.722 121.223 -0.163 0.000 2.298 266 L HA 0.484 4.823 4.340 -0.002 0.000 0.284 266 L C -0.878 175.913 176.870 -0.131 0.000 1.013 266 L CA -0.556 54.178 54.840 -0.177 0.000 0.824 266 L CB 1.466 43.400 42.059 -0.208 0.000 1.221 266 L HN 0.530 nan 8.230 nan 0.000 0.418 267 L N 4.973 126.141 121.223 -0.092 0.000 2.295 267 L HA 0.506 4.845 4.340 -0.002 0.000 0.281 267 L C -0.514 176.387 176.870 0.051 0.000 1.018 267 L CA -0.602 54.222 54.840 -0.026 0.000 0.841 267 L CB 1.712 43.814 42.059 0.072 0.000 1.218 267 L HN 0.317 nan 8.230 nan 0.000 0.424 268 V N 2.010 121.911 119.914 -0.022 0.000 2.483 268 V HA 0.901 5.020 4.120 -0.002 0.000 0.295 268 V C 0.408 176.535 176.094 0.055 0.000 1.035 268 V CA -0.480 61.844 62.300 0.040 0.000 0.896 268 V CB 1.674 33.515 31.823 0.030 0.000 0.986 268 V HN 0.851 nan 8.190 nan 0.000 0.447 269 G N 2.404 111.321 108.800 0.195 0.000 2.733 269 G HA2 0.572 4.531 3.960 -0.002 0.000 0.297 269 G HA3 0.572 4.531 3.960 -0.002 0.000 0.297 269 G C -1.954 173.030 174.900 0.140 0.000 1.452 269 G CA -0.435 44.767 45.100 0.171 0.000 0.940 269 G HN 0.525 nan 8.290 nan 0.000 0.547 270 V N 2.548 122.502 119.914 0.067 0.000 2.444 270 V HA 0.686 4.805 4.120 -0.002 0.000 0.294 270 V C 0.094 176.193 176.094 0.008 0.000 1.022 270 V CA -0.363 61.974 62.300 0.062 0.000 0.850 270 V CB 1.283 33.160 31.823 0.089 0.000 0.992 270 V HN 0.765 nan 8.190 nan 0.000 0.426 271 M N 3.071 122.647 119.600 -0.040 0.000 2.644 271 M HA 0.752 5.231 4.480 -0.002 0.000 0.304 271 M C 0.096 176.491 176.300 0.159 0.000 1.215 271 M CA -0.638 54.592 55.300 -0.117 0.000 0.871 271 M CB 2.259 34.459 32.600 -0.667 0.000 1.740 271 M HN 0.648 nan 8.290 nan 0.000 0.464 272 A N 0.133 123.043 122.820 0.150 0.000 2.445 272 A HA 0.080 4.399 4.320 -0.002 0.000 0.242 272 A C 0.807 178.670 177.584 0.465 0.000 1.075 272 A CA 0.036 52.226 52.037 0.256 0.000 0.777 272 A CB -0.223 18.879 19.000 0.171 0.000 1.013 272 A HN 1.102 nan 8.150 nan 0.000 0.493 273 H N 0.454 119.684 119.070 0.267 0.000 2.457 273 H HA -0.147 4.408 4.556 -0.003 0.000 0.297 273 H C -0.003 175.453 175.328 0.214 0.000 1.092 273 H CA 1.355 57.533 56.048 0.218 0.000 1.309 273 H CB 0.283 30.107 29.762 0.103 0.000 1.382 273 H HN 0.809 nan 8.280 nan 0.000 0.535 274 D N -0.050 120.475 120.400 0.207 0.000 3.035 274 D HA 0.033 4.672 4.640 -0.002 0.000 0.290 274 D C -0.646 175.744 176.300 0.150 0.000 1.360 274 D CA -0.302 53.758 54.000 0.101 0.000 0.862 274 D CB -0.106 40.724 40.800 0.050 0.000 1.078 274 D HN 0.139 nan 8.370 nan 0.000 0.487 275 D N 1.302 121.843 120.400 0.235 0.000 2.634 275 D HA 0.150 4.789 4.640 -0.002 0.000 0.318 275 D C -1.435 174.992 176.300 0.211 0.000 1.226 275 D CA -2.159 51.930 54.000 0.148 0.000 0.899 275 D CB 1.370 42.188 40.800 0.030 0.000 1.025 275 D HN -0.037 nan 8.370 nan 0.000 0.501 276 P HA -0.218 nan 4.420 nan 0.000 0.216 276 P C 1.144 178.561 177.300 0.196 0.000 1.153 276 P CA 1.280 64.520 63.100 0.233 0.000 0.858 276 P CB 0.276 32.063 31.700 0.144 0.000 0.789 277 E N -0.097 120.179 120.200 0.127 0.000 2.110 277 E HA -0.121 4.227 4.350 -0.002 0.000 0.193 277 E C 2.372 179.036 176.600 0.105 0.000 0.988 277 E CA 1.468 57.932 56.400 0.108 0.000 0.804 277 E CB -1.492 28.250 29.700 0.071 0.000 0.745 277 E HN 0.204 nan 8.360 nan 0.000 0.458 278 G N 0.764 109.582 108.800 0.031 0.000 2.404 278 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.215 278 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.215 278 G C 1.034 175.894 174.900 -0.066 0.000 1.174 278 G CA 0.582 45.641 45.100 -0.069 0.000 0.780 278 G HN 0.389 nan 8.290 nan 0.000 0.537 279 W N 0.619 121.983 121.300 0.107 0.000 2.402 279 W HA 0.137 4.797 4.660 -0.000 0.000 0.286 279 W C 2.490 179.119 176.519 0.183 0.000 1.221 279 W CA -0.166 57.228 57.345 0.082 0.000 1.257 279 W CB -0.117 29.355 29.460 0.019 0.000 1.120 279 W HN 0.103 nan 8.180 nan 0.000 0.551 280 I N -1.141 119.632 120.570 0.338 0.000 2.226 280 I HA -0.350 3.819 4.170 -0.002 0.000 0.245 280 I C 2.205 178.453 176.117 0.219 0.000 1.100 280 I CA 1.294 62.742 61.300 0.247 0.000 1.374 280 I CB -0.588 37.523 38.000 0.185 0.000 1.057 280 I HN -0.009 nan 8.210 nan 0.000 0.413 281 Y N 0.733 121.107 120.300 0.124 0.000 2.293 281 Y HA -0.296 4.253 4.550 -0.001 0.000 0.291 281 Y C 2.287 178.288 175.900 0.169 0.000 1.137 281 Y CA 1.286 59.450 58.100 0.106 0.000 1.202 281 Y CB -0.376 38.122 38.460 0.063 0.000 0.990 281 Y HN 0.183 nan 8.280 nan 0.000 0.537 282 F N 0.994 120.937 119.950 -0.011 0.000 2.126 282 F HA -0.210 4.315 4.527 -0.003 0.000 0.299 282 F C 2.035 177.731 175.800 -0.173 0.000 1.096 282 F CA 2.217 60.005 58.000 -0.354 0.000 1.255 282 F CB -0.513 38.209 39.000 -0.462 0.000 0.997 282 F HN 0.063 nan 8.300 nan 0.000 0.479 283 E N 0.350 120.499 120.200 -0.085 0.000 2.110 283 E HA -0.215 4.134 4.350 -0.002 0.000 0.193 283 E C 2.088 178.557 176.600 -0.219 0.000 0.988 283 E CA 1.481 57.758 56.400 -0.204 0.000 0.804 283 E CB -0.181 29.528 29.700 0.015 0.000 0.745 283 E HN 0.503 nan 8.360 nan 0.000 0.458 284 K N 0.089 120.383 120.400 -0.176 0.000 2.148 284 K HA -0.053 4.266 4.320 -0.002 0.000 0.204 284 K C 2.192 178.695 176.600 -0.161 0.000 1.050 284 K CA 1.238 57.426 56.287 -0.164 0.000 0.942 284 K CB -0.023 32.353 32.500 -0.205 0.000 0.724 284 K HN 0.026 nan 8.250 nan 0.000 0.446 285 T N 1.929 116.366 114.554 -0.194 0.000 2.737 285 T HA -0.065 4.283 4.350 -0.002 0.000 0.265 285 T C 1.858 176.421 174.700 -0.227 0.000 1.038 285 T CA 0.932 62.987 62.100 -0.075 0.000 1.144 285 T CB -0.142 68.798 68.868 0.120 0.000 0.866 285 T HN 0.090 nan 8.240 nan 0.000 0.434 286 L N 0.405 121.422 121.223 -0.345 0.000 2.046 286 L HA -0.106 4.233 4.340 -0.002 0.000 0.208 286 L C 2.879 179.590 176.870 -0.265 0.000 1.077 286 L CA 1.445 56.074 54.840 -0.352 0.000 0.747 286 L CB -0.423 41.357 42.059 -0.464 0.000 0.896 286 L HN 0.162 nan 8.230 nan 0.000 0.432 287 R N -0.100 120.262 120.500 -0.229 0.000 2.081 287 R HA -0.213 4.126 4.340 -0.002 0.000 0.235 287 R C 2.301 178.480 176.300 -0.203 0.000 1.131 287 R CA 1.461 57.454 56.100 -0.178 0.000 0.960 287 R CB -0.271 29.949 30.300 -0.133 0.000 0.856 287 R HN 0.109 nan 8.270 nan 0.000 0.436 288 K N 1.385 121.622 120.400 -0.272 0.000 2.026 288 K HA -0.094 4.225 4.320 -0.002 0.000 0.208 288 K C 1.768 178.193 176.600 -0.292 0.000 1.048 288 K CA 1.431 57.498 56.287 -0.366 0.000 0.929 288 K CB -0.248 31.816 32.500 -0.728 0.000 0.713 288 K HN 0.097 nan 8.250 nan 0.000 0.439 289 I N 0.018 120.426 120.570 -0.270 0.000 2.226 289 I HA -0.116 4.053 4.170 -0.002 0.000 0.245 289 I C 1.501 177.502 176.117 -0.193 0.000 1.100 289 I CA 0.987 62.156 61.300 -0.219 0.000 1.374 289 I CB -0.752 37.106 38.000 -0.238 0.000 1.057 289 I HN 0.556 nan 8.210 nan 0.000 0.413 290 G N 0.851 109.528 108.800 -0.204 0.000 2.593 290 G HA2 -0.290 3.668 3.960 -0.002 0.000 0.237 290 G HA3 -0.290 3.668 3.960 -0.002 0.000 0.237 290 G C 0.096 174.865 174.900 -0.218 0.000 1.312 290 G CA -0.001 44.999 45.100 -0.166 0.000 0.896 290 G HN 0.451 nan 8.290 nan 0.000 0.574 291 E N 0.921 121.041 120.200 -0.133 0.000 2.303 291 E HA 0.201 4.549 4.350 -0.002 0.000 0.211 291 E C -0.250 176.299 176.600 -0.084 0.000 1.223 291 E CA 0.147 56.482 56.400 -0.109 0.000 1.344 291 E CB 0.197 29.958 29.700 0.103 0.000 1.299 291 E HN 0.380 nan 8.360 nan 0.000 0.441 292 D N 0.096 120.384 120.400 -0.186 0.000 2.456 292 D HA 0.004 4.642 4.640 -0.002 0.000 0.219 292 D C -0.191 176.007 176.300 -0.170 0.000 1.126 292 D CA -0.566 53.397 54.000 -0.061 0.000 0.890 292 D CB 0.133 40.934 40.800 0.002 0.000 1.025 292 D HN 0.100 nan 8.370 nan 0.000 0.511 293 Y N 1.405 121.710 120.300 0.009 0.000 2.553 293 Y HA 0.052 4.601 4.550 -0.003 0.000 0.303 293 Y C 1.326 177.229 175.900 0.005 0.000 1.194 293 Y CA 0.031 58.131 58.100 -0.001 0.000 1.305 293 Y CB 0.326 38.787 38.460 0.003 0.000 1.045 293 Y HN 0.347 nan 8.280 nan 0.000 0.514 294 D N -0.790 119.672 120.400 0.103 0.000 2.355 294 D HA 0.028 4.667 4.640 -0.002 0.000 0.218 294 D C -0.122 176.153 176.300 -0.042 0.000 1.004 294 D CA 0.497 54.556 54.000 0.097 0.000 0.880 294 D CB 0.339 41.256 40.800 0.195 0.000 0.911 294 D HN -0.063 nan 8.370 nan 0.000 0.528 295 V N 2.140 121.963 119.914 -0.151 0.000 2.394 295 V HA 0.219 4.338 4.120 -0.002 0.000 0.282 295 V C 0.046 176.035 176.094 -0.175 0.000 1.031 295 V CA -0.711 61.405 62.300 -0.306 0.000 0.881 295 V CB 1.738 33.336 31.823 -0.375 0.000 0.982 295 V HN -0.147 nan 8.190 nan 0.000 0.451 296 K N 4.527 124.837 120.400 -0.151 0.000 2.265 296 K HA 0.535 4.853 4.320 -0.002 0.000 0.267 296 K C -0.915 175.637 176.600 -0.081 0.000 0.994 296 K CA -0.588 55.645 56.287 -0.090 0.000 0.860 296 K CB 2.114 34.548 32.500 -0.110 0.000 1.099 296 K HN 0.370 nan 8.250 nan 0.000 0.448 297 V N 5.174 125.084 119.914 -0.006 0.000 2.318 297 V HA 0.295 4.413 4.120 -0.002 0.000 0.271 297 V C -0.052 176.126 176.094 0.139 0.000 1.030 297 V CA -0.738 61.625 62.300 0.104 0.000 0.844 297 V CB 0.310 32.189 31.823 0.094 0.000 1.015 297 V HN 0.518 nan 8.190 nan 0.000 0.460 298 L N 6.141 127.404 121.223 0.066 0.000 2.294 298 L HA 0.734 5.073 4.340 -0.002 0.000 0.283 298 L C 0.348 177.270 176.870 0.087 0.000 1.015 298 L CA -0.081 54.743 54.840 -0.026 0.000 0.831 298 L CB 1.568 43.382 42.059 -0.409 0.000 1.217 298 L HN 0.773 nan 8.230 nan 0.000 0.420 299 T N -2.440 112.178 114.554 0.107 0.000 2.865 299 T HA 0.241 4.589 4.350 -0.002 0.000 0.294 299 T C 0.814 175.541 174.700 0.046 0.000 1.119 299 T CA -0.866 61.296 62.100 0.103 0.000 1.007 299 T CB 1.438 70.358 68.868 0.088 0.000 1.225 299 T HN 0.521 nan 8.240 nan 0.000 0.515 300 N N 0.672 119.405 118.700 0.056 0.000 2.519 300 N HA -0.083 4.656 4.740 -0.002 0.000 0.186 300 N C 1.723 177.234 175.510 0.002 0.000 1.062 300 N CA 0.371 53.385 53.050 -0.060 0.000 0.910 300 N CB -0.522 37.998 38.487 0.056 0.000 0.958 300 N HN 0.607 nan 8.380 nan 0.000 0.445 301 L N 0.996 122.235 121.223 0.026 0.000 2.127 301 L HA -0.023 4.316 4.340 -0.002 0.000 0.211 301 L C 1.555 178.400 176.870 -0.041 0.000 1.089 301 L CA 1.353 56.099 54.840 -0.157 0.000 0.757 301 L CB -0.080 41.761 42.059 -0.364 0.000 0.899 301 L HN 0.244 nan 8.230 nan 0.000 0.434 302 I N -4.461 116.141 120.570 0.052 0.000 3.816 302 I HA 0.429 4.598 4.170 -0.002 0.000 0.334 302 I C 0.921 177.167 176.117 0.215 0.000 1.551 302 I CA 0.379 61.762 61.300 0.139 0.000 1.153 302 I CB 0.334 38.472 38.000 0.229 0.000 1.197 302 I HN 0.162 nan 8.210 nan 0.000 0.439 303 G N 1.077 109.932 108.800 0.091 0.000 2.179 303 G HA2 -0.201 3.758 3.960 -0.002 0.000 0.220 303 G HA3 -0.201 3.758 3.960 -0.002 0.000 0.220 303 G C 0.073 174.908 174.900 -0.108 0.000 0.990 303 G CA -0.051 45.109 45.100 0.101 0.000 0.646 303 G HN 0.273 nan 8.290 nan 0.000 0.517 304 V N 3.478 123.244 119.914 -0.246 0.000 2.470 304 V HA 0.541 4.660 4.120 -0.002 0.000 0.276 304 V C 0.710 176.481 176.094 -0.538 0.000 1.040 304 V CA -0.158 61.957 62.300 -0.308 0.000 1.008 304 V CB 0.782 32.507 31.823 -0.163 0.000 0.990 304 V HN 0.394 nan 8.190 nan 0.000 0.477 305 H N 2.694 121.779 119.070 0.025 0.000 3.218 305 H HA 0.553 5.108 4.556 -0.002 0.000 0.303 305 H C 1.249 176.574 175.328 -0.004 0.000 1.605 305 H CA -0.169 55.894 56.048 0.025 0.000 1.298 305 H CB 1.362 31.140 29.762 0.027 0.000 1.856 305 H HN 0.465 nan 8.280 nan 0.000 0.656 306 A N 0.554 123.466 122.820 0.152 0.000 1.881 306 A HA -0.275 4.043 4.320 -0.002 0.000 0.219 306 A C 2.292 179.887 177.584 0.017 0.000 1.215 306 A CA 2.664 54.741 52.037 0.067 0.000 0.648 306 A CB -0.803 18.230 19.000 0.056 0.000 0.832 306 A HN 0.678 nan 8.150 nan 0.000 0.455 307 R N -0.618 119.891 120.500 0.015 0.000 2.120 307 R HA -0.163 4.176 4.340 -0.002 0.000 0.234 307 R C 1.949 178.174 176.300 -0.124 0.000 1.123 307 R CA 1.773 57.856 56.100 -0.028 0.000 0.975 307 R CB -0.187 30.111 30.300 -0.004 0.000 0.866 307 R HN 0.597 nan 8.270 nan 0.000 0.446 308 E N -0.490 119.603 120.200 -0.179 0.000 2.072 308 E HA -0.106 4.243 4.350 -0.002 0.000 0.190 308 E C 1.894 178.058 176.600 -0.726 0.000 0.982 308 E CA 1.187 57.286 56.400 -0.501 0.000 0.803 308 E CB -0.037 29.383 29.700 -0.467 0.000 0.755 308 E HN 0.066 nan 8.360 nan 0.000 0.453 309 V N 1.991 121.743 119.914 -0.269 0.000 2.332 309 V HA -0.306 3.813 4.120 -0.002 0.000 0.248 309 V C 2.219 178.279 176.094 -0.056 0.000 1.055 309 V CA 1.857 64.136 62.300 -0.034 0.000 1.038 309 V CB -0.652 31.205 31.823 0.056 0.000 0.651 309 V HN 0.363 nan 8.190 nan 0.000 0.450 310 N N 0.939 119.591 118.700 -0.080 0.000 2.018 310 N HA -0.224 4.515 4.740 -0.002 0.000 0.196 310 N C 1.853 177.328 175.510 -0.058 0.000 1.043 310 N CA 2.354 55.386 53.050 -0.030 0.000 0.856 310 N CB -0.387 38.088 38.487 -0.021 0.000 1.042 310 N HN 0.439 nan 8.380 nan 0.000 0.423 311 A N 0.012 122.727 122.820 -0.175 0.000 1.908 311 A HA -0.085 4.234 4.320 -0.002 0.000 0.218 311 A C 2.362 179.914 177.584 -0.055 0.000 1.181 311 A CA 1.220 53.161 52.037 -0.159 0.000 0.627 311 A CB -1.149 17.694 19.000 -0.262 0.000 0.818 311 A HN 0.452 nan 8.150 nan 0.000 0.445 312 F N -0.211 119.743 119.950 0.006 0.000 2.171 312 F HA -0.228 4.297 4.527 -0.002 0.000 0.300 312 F C 2.848 178.654 175.800 0.010 0.000 1.090 312 F CA 1.295 59.295 58.000 -0.000 0.000 1.293 312 F CB -0.289 38.692 39.000 -0.032 0.000 1.013 312 F HN 0.282 nan 8.300 nan 0.000 0.486 313 Q N 0.167 120.078 119.800 0.186 0.000 2.079 313 Q HA -0.151 4.188 4.340 -0.002 0.000 0.200 313 Q C 2.200 178.252 176.000 0.086 0.000 0.974 313 Q CA 1.127 57.001 55.803 0.119 0.000 0.840 313 Q CB -0.217 28.579 28.738 0.096 0.000 0.898 313 Q HN 0.408 nan 8.270 nan 0.000 0.430 314 R N 0.097 120.638 120.500 0.068 0.000 2.115 314 R HA -0.047 4.292 4.340 -0.002 0.000 0.230 314 R C 1.997 178.328 176.300 0.052 0.000 1.111 314 R CA 1.089 57.215 56.100 0.043 0.000 0.976 314 R CB -0.149 30.166 30.300 0.024 0.000 0.870 314 R HN 0.157 nan 8.270 nan 0.000 0.445 315 A N 0.623 123.492 122.820 0.083 0.000 2.169 315 A HA 0.077 4.396 4.320 -0.002 0.000 0.212 315 A C 0.678 178.309 177.584 0.079 0.000 1.153 315 A CA 0.087 52.176 52.037 0.087 0.000 0.756 315 A CB 0.213 19.289 19.000 0.126 0.000 0.813 315 A HN 0.093 nan 8.150 nan 0.000 0.471 316 S N 1.079 116.827 115.700 0.080 0.000 2.564 316 S HA 0.115 4.583 4.470 -0.002 0.000 0.278 316 S C 0.280 174.911 174.600 0.052 0.000 1.333 316 S CA -0.326 57.914 58.200 0.066 0.000 1.048 316 S CB 0.872 64.112 63.200 0.066 0.000 0.900 316 S HN 0.448 nan 8.310 nan 0.000 0.505 317 D N 0.776 121.206 120.400 0.050 0.000 2.216 317 D HA 0.080 4.718 4.640 -0.002 0.000 0.208 317 D C 0.105 176.437 176.300 0.053 0.000 0.960 317 D CA 1.071 55.098 54.000 0.045 0.000 0.861 317 D CB 0.395 41.220 40.800 0.042 0.000 0.985 317 D HN 0.241 nan 8.370 nan 0.000 0.493 318 V N 1.403 121.352 119.914 0.059 0.000 2.841 318 V HA 0.387 4.506 4.120 -0.002 0.000 0.310 318 V C -0.394 175.738 176.094 0.062 0.000 1.090 318 V CA -0.730 61.612 62.300 0.070 0.000 0.930 318 V CB 3.000 34.873 31.823 0.083 0.000 1.014 318 V HN -0.086 nan 8.190 nan 0.000 0.425 319 I N 4.434 125.041 120.570 0.062 0.000 2.530 319 I HA 0.563 4.732 4.170 -0.002 0.000 0.297 319 I C -0.870 175.276 176.117 0.048 0.000 1.011 319 I CA -0.599 60.730 61.300 0.048 0.000 1.107 319 I CB 2.002 40.027 38.000 0.042 0.000 1.285 319 I HN 0.344 nan 8.210 nan 0.000 0.436 320 L N 4.909 126.151 121.223 0.032 0.000 2.319 320 L HA 0.567 4.906 4.340 -0.002 0.000 0.267 320 L C -0.672 176.202 176.870 0.006 0.000 1.011 320 L CA -0.687 54.170 54.840 0.029 0.000 0.818 320 L CB 1.759 43.837 42.059 0.032 0.000 1.316 320 L HN 0.457 nan 8.230 nan 0.000 0.432 321 Q N 1.931 121.732 119.800 0.003 0.000 3.825 321 Q HA 0.319 4.658 4.340 -0.002 0.000 0.218 321 Q C -0.932 175.063 176.000 -0.008 0.000 0.882 321 Q CA 0.047 55.840 55.803 -0.017 0.000 0.766 321 Q CB 0.848 29.567 28.738 -0.032 0.000 1.497 321 Q HN 0.462 nan 8.270 nan 0.000 0.428 322 M N 0.825 120.425 119.600 -0.000 0.000 3.092 322 M HA 0.257 4.736 4.480 -0.002 0.000 0.228 322 M C -0.209 176.099 176.300 0.013 0.000 1.301 322 M CA 0.068 55.375 55.300 0.013 0.000 1.216 322 M CB -0.836 31.780 32.600 0.026 0.000 1.356 322 M HN 0.240 nan 8.290 nan 0.000 0.463 323 S N 0.839 116.540 115.700 0.002 0.000 2.560 323 S HA 0.198 4.667 4.470 -0.002 0.000 0.284 323 S C 1.536 176.156 174.600 0.033 0.000 1.327 323 S CA -0.347 57.862 58.200 0.014 0.000 1.055 323 S CB 1.423 64.623 63.200 0.000 0.000 0.868 323 S HN 0.322 nan 8.310 nan 0.000 0.506 324 I N 1.155 121.769 120.570 0.073 0.000 3.081 324 I HA 0.166 4.335 4.170 -0.002 0.000 0.274 324 I C 0.953 177.090 176.117 0.032 0.000 1.178 324 I CA 1.051 62.398 61.300 0.079 0.000 1.460 324 I CB -0.257 37.852 38.000 0.182 0.000 1.137 324 I HN 0.472 nan 8.210 nan 0.000 0.443 325 R N 0.980 121.513 120.500 0.056 0.000 2.532 325 R HA 0.511 4.849 4.340 -0.002 0.000 0.297 325 R C -0.931 175.386 176.300 0.029 0.000 0.984 325 R CA -0.396 55.709 56.100 0.008 0.000 0.884 325 R CB 2.712 32.997 30.300 -0.025 0.000 1.182 325 R HN -0.092 nan 8.270 nan 0.000 0.442 326 E N 0.642 120.852 120.200 0.016 0.000 2.392 326 E HA 0.445 4.794 4.350 -0.002 0.000 0.279 326 E C -0.720 175.916 176.600 0.059 0.000 0.964 326 E CA -0.446 55.970 56.400 0.027 0.000 0.777 326 E CB 1.752 31.447 29.700 -0.008 0.000 1.249 326 E HN 0.572 nan 8.360 nan 0.000 0.449 327 G N 1.041 109.908 108.800 0.111 0.000 2.829 327 G HA2 0.070 4.029 3.960 -0.002 0.000 0.173 327 G HA3 0.070 4.029 3.960 -0.002 0.000 0.173 327 G C 0.472 175.467 174.900 0.158 0.000 1.476 327 G CA -0.029 45.207 45.100 0.228 0.000 1.072 327 G HN 0.502 nan 8.290 nan 0.000 0.577 328 F N 1.127 121.120 119.950 0.072 0.000 2.171 328 F HA 0.167 4.692 4.527 -0.002 0.000 0.300 328 F C 1.866 177.623 175.800 -0.070 0.000 1.090 328 F CA 1.919 59.898 58.000 -0.034 0.000 1.293 328 F CB -0.135 38.796 39.000 -0.115 0.000 1.013 328 F HN 0.780 nan 8.300 nan 0.000 0.486 329 G N 0.847 109.611 108.800 -0.060 0.000 2.520 329 G HA2 -0.236 3.722 3.960 -0.002 0.000 0.264 329 G HA3 -0.236 3.722 3.960 -0.002 0.000 0.264 329 G C 0.670 175.489 174.900 -0.136 0.000 1.140 329 G CA 0.181 45.190 45.100 -0.152 0.000 1.012 329 G HN 0.468 nan 8.290 nan 0.000 0.511 330 L N 0.166 121.412 121.223 0.038 0.000 2.265 330 L HA -0.107 4.232 4.340 -0.002 0.000 0.215 330 L C 3.154 180.030 176.870 0.010 0.000 1.117 330 L CA 2.152 57.028 54.840 0.059 0.000 0.782 330 L CB -0.534 41.567 42.059 0.071 0.000 0.914 330 L HN 0.681 nan 8.230 nan 0.000 0.441 331 T N -3.951 110.600 114.554 -0.006 0.000 2.915 331 T HA -0.113 4.236 4.350 -0.002 0.000 0.269 331 T C 1.776 176.471 174.700 -0.009 0.000 1.071 331 T CA 0.967 63.068 62.100 0.001 0.000 1.132 331 T CB -0.496 68.367 68.868 -0.009 0.000 0.878 331 T HN 0.111 nan 8.240 nan 0.000 0.479 332 V N 2.060 121.940 119.914 -0.057 0.000 2.379 332 V HA -0.136 3.983 4.120 -0.002 0.000 0.245 332 V C 3.011 179.084 176.094 -0.036 0.000 1.044 332 V CA 2.128 64.386 62.300 -0.069 0.000 1.036 332 V CB -1.139 30.593 31.823 -0.153 0.000 0.664 332 V HN 0.576 nan 8.190 nan 0.000 0.453 333 T N -0.153 114.370 114.554 -0.052 0.000 2.720 333 T HA -0.243 4.105 4.350 -0.002 0.000 0.268 333 T C 1.751 176.525 174.700 0.124 0.000 1.037 333 T CA 1.826 63.946 62.100 0.033 0.000 1.144 333 T CB -0.279 68.617 68.868 0.047 0.000 0.864 333 T HN 0.581 nan 8.240 nan 0.000 0.444 334 E N 1.214 121.474 120.200 0.100 0.000 2.077 334 E HA -0.051 4.298 4.350 -0.002 0.000 0.193 334 E C 2.576 179.281 176.600 0.175 0.000 0.989 334 E CA 1.023 57.514 56.400 0.150 0.000 0.800 334 E CB -0.268 29.492 29.700 0.101 0.000 0.746 334 E HN 0.516 nan 8.360 nan 0.000 0.452 335 A N 0.879 123.764 122.820 0.108 0.000 1.898 335 A HA -0.166 4.152 4.320 -0.002 0.000 0.216 335 A C 2.147 179.786 177.584 0.092 0.000 1.181 335 A CA 1.284 53.373 52.037 0.086 0.000 0.620 335 A CB -0.406 18.625 19.000 0.052 0.000 0.819 335 A HN 0.135 nan 8.150 nan 0.000 0.442 336 M N -1.767 117.898 119.600 0.107 0.000 2.159 336 M HA -0.141 4.338 4.480 -0.002 0.000 0.263 336 M C 2.180 178.578 176.300 0.164 0.000 1.063 336 M CA 1.362 56.727 55.300 0.109 0.000 1.110 336 M CB -0.287 32.382 32.600 0.114 0.000 1.374 336 M HN 0.799 nan 8.290 nan 0.000 0.411 337 W N 1.808 123.132 121.300 0.040 0.000 2.374 337 W HA -0.161 4.497 4.660 -0.002 0.000 0.288 337 W C 0.923 177.463 176.519 0.033 0.000 1.218 337 W CA 1.140 58.512 57.345 0.045 0.000 1.245 337 W CB 0.024 29.517 29.460 0.056 0.000 1.126 337 W HN 0.114 nan 8.180 nan 0.000 0.545 338 K N 0.084 120.469 120.400 -0.025 0.000 2.504 338 K HA 0.122 4.441 4.320 -0.002 0.000 0.199 338 K C 1.088 177.617 176.600 -0.118 0.000 1.028 338 K CA 0.488 56.699 56.287 -0.126 0.000 1.164 338 K CB -0.444 32.056 32.500 -0.001 0.000 0.877 338 K HN 0.182 nan 8.250 nan 0.000 0.508 339 G N 2.194 110.924 108.800 -0.117 0.000 2.225 339 G HA2 -0.255 3.703 3.960 -0.002 0.000 0.267 339 G HA3 -0.255 3.703 3.960 -0.002 0.000 0.267 339 G C -0.307 174.573 174.900 -0.034 0.000 1.024 339 G CA 0.226 45.276 45.100 -0.084 0.000 0.784 339 G HN 0.102 nan 8.290 nan 0.000 0.507 340 K N 0.811 121.208 120.400 -0.006 0.000 2.156 340 K HA 0.446 4.764 4.320 -0.002 0.000 0.271 340 K C -2.194 174.419 176.600 0.021 0.000 0.995 340 K CA -2.240 54.056 56.287 0.015 0.000 0.890 340 K CB 1.978 34.497 32.500 0.031 0.000 1.073 340 K HN 0.181 nan 8.250 nan 0.000 0.454 341 P HA 0.144 nan 4.420 nan 0.000 0.281 341 P C -0.479 176.859 177.300 0.063 0.000 1.252 341 P CA -0.382 62.742 63.100 0.040 0.000 0.778 341 P CB 0.876 32.625 31.700 0.082 0.000 0.895 342 V N 5.385 125.325 119.914 0.044 0.000 2.513 342 V HA 0.403 4.522 4.120 -0.002 0.000 0.299 342 V C 0.539 176.692 176.094 0.098 0.000 1.035 342 V CA -0.685 61.648 62.300 0.055 0.000 0.889 342 V CB 1.742 33.574 31.823 0.014 0.000 0.988 342 V HN 0.412 nan 8.190 nan 0.000 0.440 343 I N 3.741 124.381 120.570 0.116 0.000 2.382 343 I HA 0.766 4.935 4.170 -0.002 0.000 0.286 343 I C 0.539 176.702 176.117 0.077 0.000 1.002 343 I CA 0.051 61.438 61.300 0.145 0.000 1.135 343 I CB 1.657 39.746 38.000 0.148 0.000 1.288 343 I HN 0.789 nan 8.210 nan 0.000 0.448 344 G N 5.259 114.096 108.800 0.063 0.000 2.687 344 G HA2 0.591 4.550 3.960 -0.002 0.000 0.291 344 G HA3 0.591 4.550 3.960 -0.002 0.000 0.291 344 G C -1.275 173.640 174.900 0.025 0.000 1.420 344 G CA -0.881 44.236 45.100 0.028 0.000 0.796 344 G HN 0.407 nan 8.290 nan 0.000 0.485 345 R N -0.490 120.017 120.500 0.011 0.000 2.500 345 R HA 0.541 4.880 4.340 -0.002 0.000 0.275 345 R C 0.294 176.592 176.300 -0.004 0.000 1.051 345 R CA -0.265 55.840 56.100 0.010 0.000 1.088 345 R CB 1.555 31.861 30.300 0.011 0.000 1.063 345 R HN 0.535 nan 8.270 nan 0.000 0.511 346 A N 2.808 125.628 122.820 -0.001 0.000 3.026 346 A HA 0.285 4.604 4.320 -0.002 0.000 0.272 346 A C -0.027 177.547 177.584 -0.017 0.000 1.782 346 A CA -0.316 51.717 52.037 -0.007 0.000 1.451 346 A CB -0.752 18.248 19.000 0.001 0.000 1.081 346 A HN 0.457 nan 8.150 nan 0.000 0.611 347 V N -1.369 118.528 119.914 -0.028 0.000 3.007 347 V HA 0.949 5.068 4.120 -0.002 0.000 0.311 347 V C 0.706 176.769 176.094 -0.053 0.000 1.120 347 V CA -0.131 62.147 62.300 -0.037 0.000 0.980 347 V CB 0.814 32.620 31.823 -0.029 0.000 1.033 347 V HN 2.085 nan 8.190 nan 0.000 0.429 348 G N 2.588 111.351 108.800 -0.061 0.000 2.614 348 G HA2 -0.134 3.825 3.960 -0.002 0.000 0.303 348 G HA3 -0.134 3.825 3.960 -0.002 0.000 0.303 348 G C 0.968 175.817 174.900 -0.085 0.000 1.270 348 G CA 0.735 45.790 45.100 -0.076 0.000 0.988 348 G HN 2.304 nan 8.290 nan 0.000 0.551 349 G N -0.482 108.235 108.800 -0.138 0.000 2.813 349 G HA2 0.324 4.283 3.960 -0.002 0.000 0.209 349 G HA3 0.324 4.283 3.960 -0.002 0.000 0.209 349 G C 1.746 176.447 174.900 -0.331 0.000 1.150 349 G CA 1.043 45.981 45.100 -0.270 0.000 0.785 349 G HN 0.695 nan 8.290 nan 0.000 0.535 350 I N 0.370 120.801 120.570 -0.231 0.000 2.226 350 I HA -0.159 4.010 4.170 -0.002 0.000 0.245 350 I C 2.619 178.669 176.117 -0.111 0.000 1.100 350 I CA 1.286 62.474 61.300 -0.186 0.000 1.374 350 I CB -0.141 37.790 38.000 -0.114 0.000 1.057 350 I HN 0.128 nan 8.210 nan 0.000 0.413 351 K N 0.729 121.099 120.400 -0.051 0.000 2.147 351 K HA -0.228 4.091 4.320 -0.002 0.000 0.205 351 K C 2.180 178.819 176.600 0.064 0.000 1.049 351 K CA 1.524 57.813 56.287 0.003 0.000 0.936 351 K CB -0.093 32.416 32.500 0.016 0.000 0.722 351 K HN 0.196 nan 8.250 nan 0.000 0.446 352 F N 1.655 121.548 119.950 -0.094 0.000 2.270 352 F HA 0.007 4.532 4.527 -0.002 0.000 0.295 352 F C 1.986 177.780 175.800 -0.011 0.000 1.087 352 F CA 1.090 59.069 58.000 -0.035 0.000 1.365 352 F CB -0.067 38.931 39.000 -0.003 0.000 1.056 352 F HN 0.036 nan 8.300 nan 0.000 0.506 353 Q N 0.254 119.861 119.800 -0.321 0.000 2.083 353 Q HA 0.027 4.366 4.340 -0.002 0.000 0.198 353 Q C 0.427 176.306 176.000 -0.202 0.000 0.969 353 Q CA 0.852 56.437 55.803 -0.364 0.000 0.838 353 Q CB 0.080 28.557 28.738 -0.435 0.000 0.900 353 Q HN 0.313 nan 8.270 nan 0.000 0.436 354 I N 1.853 122.331 120.570 -0.153 0.000 2.379 354 I HA 0.043 4.212 4.170 -0.002 0.000 0.290 354 I C -0.572 175.489 176.117 -0.094 0.000 1.063 354 I CA -0.463 60.773 61.300 -0.106 0.000 1.351 354 I CB 1.136 39.089 38.000 -0.079 0.000 1.410 354 I HN -0.140 nan 8.210 nan 0.000 0.505 355 V N 5.910 125.764 119.914 -0.100 0.000 2.339 355 V HA 0.026 4.144 4.120 -0.002 0.000 0.261 355 V C 0.266 176.296 176.094 -0.106 0.000 1.058 355 V CA -0.509 61.739 62.300 -0.085 0.000 0.897 355 V CB 0.810 32.584 31.823 -0.081 0.000 1.052 355 V HN 0.683 nan 8.190 nan 0.000 0.480 356 D N 4.563 124.918 120.400 -0.076 0.000 2.531 356 D HA 0.275 4.914 4.640 -0.002 0.000 0.239 356 D C 1.332 177.558 176.300 -0.122 0.000 1.144 356 D CA 1.875 55.828 54.000 -0.079 0.000 0.869 356 D CB 0.568 41.368 40.800 0.000 0.000 1.160 356 D HN 0.900 nan 8.370 nan 0.000 0.484 357 G N 3.110 111.740 108.800 -0.284 0.000 2.184 357 G HA2 -0.357 3.602 3.960 -0.002 0.000 0.264 357 G HA3 -0.357 3.602 3.960 -0.002 0.000 0.264 357 G C 0.928 175.678 174.900 -0.250 0.000 0.975 357 G CA 0.803 45.732 45.100 -0.284 0.000 0.642 357 G HN 0.582 nan 8.290 nan 0.000 0.536 358 E N -0.664 119.394 120.200 -0.237 0.000 2.419 358 E HA 0.181 4.530 4.350 -0.002 0.000 0.197 358 E C 2.537 179.035 176.600 -0.170 0.000 0.920 358 E CA 1.847 58.153 56.400 -0.157 0.000 1.085 358 E CB -0.042 29.597 29.700 -0.102 0.000 1.084 358 E HN 0.563 nan 8.360 nan 0.000 0.490 359 T N -2.775 111.672 114.554 -0.179 0.000 2.990 359 T HA 0.520 4.869 4.350 -0.002 0.000 0.250 359 T C 0.842 175.429 174.700 -0.188 0.000 1.041 359 T CA 0.307 62.322 62.100 -0.142 0.000 1.010 359 T CB 0.994 69.809 68.868 -0.087 0.000 1.003 359 T HN 0.208 nan 8.240 nan 0.000 0.499 360 G N 0.093 108.710 108.800 -0.305 0.000 2.494 360 G HA2 0.542 4.501 3.960 -0.002 0.000 0.308 360 G HA3 0.542 4.501 3.960 -0.002 0.000 0.308 360 G C -2.164 172.412 174.900 -0.541 0.000 1.263 360 G CA -1.082 43.818 45.100 -0.335 0.000 0.840 360 G HN 0.181 nan 8.290 nan 0.000 0.479 361 F N -0.105 119.847 119.950 0.004 0.000 2.540 361 F HA 0.645 5.171 4.527 -0.002 0.000 0.317 361 F C 0.023 175.816 175.800 -0.011 0.000 1.104 361 F CA -0.705 57.292 58.000 -0.005 0.000 0.913 361 F CB 2.422 41.422 39.000 0.001 0.000 1.170 361 F HN 0.136 nan 8.300 nan 0.000 0.450 362 L N 4.656 125.982 121.223 0.171 0.000 2.272 362 L HA 0.754 5.092 4.340 -0.002 0.000 0.289 362 L C -0.490 176.434 176.870 0.090 0.000 1.032 362 L CA -0.965 53.928 54.840 0.090 0.000 0.810 362 L CB 1.428 43.514 42.059 0.046 0.000 1.205 362 L HN 0.493 nan 8.230 nan 0.000 0.422 363 V N 0.772 120.723 119.914 0.062 0.000 3.001 363 V HA 0.550 4.669 4.120 -0.002 0.000 0.314 363 V C 0.536 176.644 176.094 0.023 0.000 1.099 363 V CA -0.820 61.501 62.300 0.035 0.000 0.989 363 V CB 2.140 33.977 31.823 0.023 0.000 1.040 363 V HN 0.734 nan 8.190 nan 0.000 0.434 364 R N 0.916 121.424 120.500 0.013 0.000 2.112 364 R HA 0.267 4.606 4.340 -0.002 0.000 0.216 364 R C -0.211 176.098 176.300 0.016 0.000 1.080 364 R CA 1.187 57.295 56.100 0.013 0.000 0.996 364 R CB -0.000 30.305 30.300 0.007 0.000 0.902 364 R HN 0.999 nan 8.270 nan 0.000 0.449 365 D N -2.085 118.323 120.400 0.014 0.000 2.798 365 D HA 0.336 4.975 4.640 -0.002 0.000 0.308 365 D C 0.284 176.595 176.300 0.018 0.000 1.187 365 D CA -0.389 53.623 54.000 0.019 0.000 1.033 365 D CB 0.228 41.038 40.800 0.017 0.000 1.445 365 D HN -0.128 nan 8.370 nan 0.000 0.550 366 A N 0.045 122.880 122.820 0.024 0.000 1.877 366 A HA -0.222 4.097 4.320 -0.002 0.000 0.216 366 A C 1.726 179.317 177.584 0.011 0.000 1.186 366 A CA 1.983 54.035 52.037 0.025 0.000 0.620 366 A CB -1.497 17.523 19.000 0.034 0.000 0.822 366 A HN 0.659 nan 8.150 nan 0.000 0.443 367 N N -0.625 118.078 118.700 0.004 0.000 2.061 367 N HA -0.207 4.532 4.740 -0.002 0.000 0.193 367 N C 1.817 177.315 175.510 -0.020 0.000 1.030 367 N CA 1.600 54.646 53.050 -0.007 0.000 0.856 367 N CB -0.203 38.279 38.487 -0.007 0.000 1.023 367 N HN 0.635 nan 8.380 nan 0.000 0.424 368 E N 0.481 120.668 120.200 -0.022 0.000 2.077 368 E HA -0.162 4.187 4.350 -0.002 0.000 0.193 368 E C 2.100 178.667 176.600 -0.056 0.000 0.989 368 E CA 0.940 57.313 56.400 -0.044 0.000 0.800 368 E CB -0.081 29.599 29.700 -0.034 0.000 0.746 368 E HN 0.396 nan 8.360 nan 0.000 0.452 369 A N 0.914 123.719 122.820 -0.025 0.000 1.933 369 A HA -0.155 4.163 4.320 -0.002 0.000 0.218 369 A C 2.491 180.064 177.584 -0.018 0.000 1.175 369 A CA 1.180 53.208 52.037 -0.015 0.000 0.628 369 A CB -0.663 18.347 19.000 0.016 0.000 0.814 369 A HN 0.114 nan 8.150 nan 0.000 0.444 370 V N 0.059 119.965 119.914 -0.012 0.000 2.287 370 V HA -0.280 3.839 4.120 -0.002 0.000 0.248 370 V C 2.612 178.693 176.094 -0.021 0.000 1.053 370 V CA 2.509 64.804 62.300 -0.009 0.000 1.027 370 V CB -0.778 31.039 31.823 -0.010 0.000 0.646 370 V HN 0.738 nan 8.190 nan 0.000 0.447 371 E N 0.692 120.867 120.200 -0.042 0.000 2.085 371 E HA -0.204 4.145 4.350 -0.002 0.000 0.194 371 E C 1.998 178.554 176.600 -0.074 0.000 0.994 371 E CA 2.050 58.418 56.400 -0.054 0.000 0.801 371 E CB -0.378 29.272 29.700 -0.084 0.000 0.743 371 E HN 0.563 nan 8.360 nan 0.000 0.453 372 V N -2.030 117.792 119.914 -0.153 0.000 2.548 372 V HA -0.106 4.013 4.120 -0.002 0.000 0.249 372 V C 2.271 178.341 176.094 -0.039 0.000 1.055 372 V CA 1.380 63.526 62.300 -0.256 0.000 1.065 372 V CB -0.606 30.920 31.823 -0.496 0.000 0.681 372 V HN 0.134 nan 8.190 nan 0.000 0.462 373 V N 0.373 120.290 119.914 0.005 0.000 2.358 373 V HA -0.169 3.949 4.120 -0.002 0.000 0.246 373 V C 2.612 178.741 176.094 0.059 0.000 1.047 373 V CA 2.241 64.571 62.300 0.051 0.000 1.035 373 V CB -0.532 31.319 31.823 0.046 0.000 0.658 373 V HN 0.460 nan 8.190 nan 0.000 0.452 374 L N -1.314 119.939 121.223 0.050 0.000 2.046 374 L HA -0.206 4.133 4.340 -0.002 0.000 0.208 374 L C 2.490 179.422 176.870 0.104 0.000 1.077 374 L CA 1.943 56.816 54.840 0.055 0.000 0.747 374 L CB -0.692 41.392 42.059 0.042 0.000 0.896 374 L HN 0.412 nan 8.230 nan 0.000 0.432 375 Y N 0.814 121.125 120.300 0.018 0.000 2.097 375 Y HA -0.277 4.272 4.550 -0.002 0.000 0.282 375 Y C 2.336 178.355 175.900 0.198 0.000 1.152 375 Y CA 1.639 59.800 58.100 0.101 0.000 1.136 375 Y CB -0.309 38.113 38.460 -0.064 0.000 0.975 375 Y HN -0.014 nan 8.280 nan 0.000 0.498 376 L N -0.987 120.290 121.223 0.089 0.000 2.046 376 L HA -0.226 4.113 4.340 -0.002 0.000 0.208 376 L C 2.263 179.129 176.870 -0.007 0.000 1.077 376 L CA 0.753 55.617 54.840 0.042 0.000 0.747 376 L CB -0.604 41.557 42.059 0.170 0.000 0.896 376 L HN 0.254 nan 8.230 nan 0.000 0.432 377 L N -0.301 120.927 121.223 0.008 0.000 2.201 377 L HA -0.154 4.185 4.340 -0.002 0.000 0.212 377 L C 2.300 179.128 176.870 -0.069 0.000 1.105 377 L CA 1.681 56.513 54.840 -0.014 0.000 0.775 377 L CB -0.572 41.490 42.059 0.004 0.000 0.913 377 L HN 0.150 nan 8.230 nan 0.000 0.440 378 K N -1.751 118.582 120.400 -0.112 0.000 2.314 378 K HA 0.059 4.378 4.320 -0.002 0.000 0.198 378 K C -0.126 176.173 176.600 -0.502 0.000 1.045 378 K CA 0.446 56.569 56.287 -0.272 0.000 0.988 378 K CB 0.157 32.487 32.500 -0.284 0.000 0.783 378 K HN 0.336 nan 8.250 nan 0.000 0.484 379 H N 0.220 119.133 119.070 -0.261 0.000 2.340 379 H HA 0.124 4.679 4.556 -0.002 0.000 0.233 379 H C -2.036 173.185 175.328 -0.178 0.000 1.435 379 H CA -1.917 53.975 56.048 -0.260 0.000 1.389 379 H CB 0.778 30.262 29.762 -0.463 0.000 1.491 379 H HN 0.002 nan 8.280 nan 0.000 0.518 380 P HA -0.228 nan 4.420 nan 0.000 0.219 380 P C 1.188 178.487 177.300 -0.002 0.000 1.146 380 P CA 1.192 64.281 63.100 -0.018 0.000 0.808 380 P CB 0.649 32.334 31.700 -0.025 0.000 0.779 381 E N 0.343 120.546 120.200 0.006 0.000 2.106 381 E HA -0.081 4.268 4.350 -0.002 0.000 0.192 381 E C 2.047 178.659 176.600 0.020 0.000 0.984 381 E CA 1.000 57.408 56.400 0.013 0.000 0.806 381 E CB -1.583 28.129 29.700 0.020 0.000 0.750 381 E HN 0.124 nan 8.360 nan 0.000 0.458 382 V N 1.768 121.698 119.914 0.028 0.000 2.379 382 V HA -0.208 3.910 4.120 -0.002 0.000 0.245 382 V C 2.765 178.886 176.094 0.045 0.000 1.044 382 V CA 1.799 64.123 62.300 0.041 0.000 1.036 382 V CB -0.650 31.194 31.823 0.034 0.000 0.664 382 V HN 0.352 nan 8.190 nan 0.000 0.453 383 S N -0.356 115.366 115.700 0.037 0.000 2.370 383 S HA -0.306 4.163 4.470 -0.002 0.000 0.226 383 S C 2.147 176.760 174.600 0.021 0.000 1.033 383 S CA 2.293 60.521 58.200 0.047 0.000 1.011 383 S CB -0.302 62.923 63.200 0.040 0.000 0.852 383 S HN 0.620 nan 8.310 nan 0.000 0.457 384 K N 0.434 120.840 120.400 0.009 0.000 2.057 384 K HA -0.085 4.234 4.320 -0.002 0.000 0.206 384 K C 2.262 178.856 176.600 -0.010 0.000 1.050 384 K CA 1.354 57.638 56.287 -0.005 0.000 0.935 384 K CB -0.270 32.226 32.500 -0.007 0.000 0.715 384 K HN 0.278 nan 8.250 nan 0.000 0.439 385 E N 0.861 121.059 120.200 -0.002 0.000 2.031 385 E HA -0.188 4.160 4.350 -0.002 0.000 0.193 385 E C 1.997 178.585 176.600 -0.019 0.000 0.994 385 E CA 1.584 57.980 56.400 -0.007 0.000 0.800 385 E CB -0.107 29.596 29.700 0.004 0.000 0.752 385 E HN 0.407 nan 8.360 nan 0.000 0.447 386 M N -0.659 118.930 119.600 -0.020 0.000 2.159 386 M HA -0.087 4.392 4.480 -0.002 0.000 0.263 386 M C 2.332 178.606 176.300 -0.044 0.000 1.063 386 M CA 1.530 56.800 55.300 -0.050 0.000 1.110 386 M CB -0.441 32.114 32.600 -0.074 0.000 1.374 386 M HN 0.102 nan 8.290 nan 0.000 0.411 387 G N 0.116 108.899 108.800 -0.027 0.000 2.418 387 G HA2 -0.111 3.847 3.960 -0.002 0.000 0.217 387 G HA3 -0.111 3.847 3.960 -0.002 0.000 0.217 387 G C 1.649 176.523 174.900 -0.043 0.000 1.158 387 G CA 0.944 46.027 45.100 -0.029 0.000 0.771 387 G HN 0.530 nan 8.290 nan 0.000 0.545 388 A N 0.743 123.537 122.820 -0.044 0.000 1.898 388 A HA 0.042 4.361 4.320 -0.002 0.000 0.216 388 A C 2.293 179.854 177.584 -0.039 0.000 1.181 388 A CA 1.854 53.860 52.037 -0.052 0.000 0.620 388 A CB -0.308 18.665 19.000 -0.044 0.000 0.819 388 A HN 0.365 nan 8.150 nan 0.000 0.442 389 K N -0.321 120.059 120.400 -0.034 0.000 2.097 389 K HA -0.034 4.284 4.320 -0.002 0.000 0.206 389 K C 2.249 178.837 176.600 -0.018 0.000 1.049 389 K CA 1.036 57.306 56.287 -0.029 0.000 0.933 389 K CB -0.275 32.201 32.500 -0.040 0.000 0.717 389 K HN 0.442 nan 8.250 nan 0.000 0.442 390 A N 1.724 124.533 122.820 -0.018 0.000 1.930 390 A HA -0.183 4.136 4.320 -0.002 0.000 0.217 390 A C 2.026 179.645 177.584 0.058 0.000 1.175 390 A CA 1.460 53.503 52.037 0.010 0.000 0.627 390 A CB -0.283 18.717 19.000 -0.000 0.000 0.815 390 A HN 0.205 nan 8.150 nan 0.000 0.443 391 K N -0.470 119.945 120.400 0.025 0.000 2.097 391 K HA -0.145 4.173 4.320 -0.002 0.000 0.205 391 K C 1.621 178.294 176.600 0.121 0.000 1.050 391 K CA 1.388 57.701 56.287 0.043 0.000 0.938 391 K CB -0.054 32.353 32.500 -0.155 0.000 0.718 391 K HN 0.314 nan 8.250 nan 0.000 0.442 392 E N 0.553 120.785 120.200 0.053 0.000 2.150 392 E HA -0.174 4.175 4.350 -0.002 0.000 0.193 392 E C 1.944 178.576 176.600 0.052 0.000 0.985 392 E CA 0.813 57.249 56.400 0.060 0.000 0.814 392 E CB -0.118 29.591 29.700 0.015 0.000 0.752 392 E HN 0.337 nan 8.360 nan 0.000 0.466 393 R N 0.718 121.241 120.500 0.038 0.000 2.092 393 R HA -0.074 4.265 4.340 -0.002 0.000 0.231 393 R C 2.136 178.431 176.300 -0.009 0.000 1.119 393 R CA 0.960 57.053 56.100 -0.012 0.000 0.970 393 R CB 0.039 30.340 30.300 0.001 0.000 0.864 393 R HN -0.009 nan 8.270 nan 0.000 0.440 394 V N 0.906 120.918 119.914 0.163 0.000 2.379 394 V HA -0.173 3.946 4.120 -0.002 0.000 0.245 394 V C 2.518 178.697 176.094 0.143 0.000 1.044 394 V CA 1.953 64.409 62.300 0.260 0.000 1.036 394 V CB -0.633 31.453 31.823 0.439 0.000 0.664 394 V HN 0.398 nan 8.190 nan 0.000 0.453 395 R N 0.698 121.354 120.500 0.261 0.000 2.105 395 R HA -0.199 4.140 4.340 -0.002 0.000 0.239 395 R C 2.061 178.382 176.300 0.035 0.000 1.135 395 R CA 1.788 58.023 56.100 0.224 0.000 0.967 395 R CB -0.093 30.406 30.300 0.332 0.000 0.861 395 R HN 0.472 nan 8.270 nan 0.000 0.442 396 K N -0.963 119.421 120.400 -0.027 0.000 2.393 396 K HA 0.118 4.436 4.320 -0.002 0.000 0.193 396 K C 0.880 177.356 176.600 -0.207 0.000 1.026 396 K CA 0.352 56.583 56.287 -0.092 0.000 1.064 396 K CB 0.422 32.875 32.500 -0.078 0.000 0.833 396 K HN 0.246 nan 8.250 nan 0.000 0.521 397 N N -0.612 117.869 118.700 -0.366 0.000 2.324 397 N HA 0.123 4.862 4.740 -0.002 0.000 0.235 397 N C 0.236 175.319 175.510 -0.712 0.000 1.162 397 N CA 0.430 53.057 53.050 -0.705 0.000 0.834 397 N CB 0.681 38.365 38.487 -1.337 0.000 1.354 397 N HN 0.043 nan 8.380 nan 0.000 0.471 398 F N 1.889 121.838 119.950 -0.002 0.000 2.814 398 F HA 0.444 4.970 4.527 -0.002 0.000 0.326 398 F C 0.591 176.319 175.800 -0.121 0.000 1.159 398 F CA -0.729 57.252 58.000 -0.031 0.000 1.234 398 F CB 0.438 39.471 39.000 0.056 0.000 1.016 398 F HN -0.153 nan 8.300 nan 0.000 0.510 399 I N -1.930 118.610 120.570 -0.050 0.000 2.793 399 I HA 0.377 4.546 4.170 -0.002 0.000 0.313 399 I C 1.427 177.456 176.117 -0.146 0.000 0.998 399 I CA -0.782 60.410 61.300 -0.180 0.000 1.140 399 I CB 1.726 39.545 38.000 -0.301 0.000 1.327 399 I HN 0.094 nan 8.210 nan 0.000 0.491 400 I N 1.762 122.216 120.570 -0.194 0.000 2.315 400 I HA -0.300 3.869 4.170 -0.002 0.000 0.251 400 I C 2.349 178.368 176.117 -0.164 0.000 1.125 400 I CA 2.435 63.642 61.300 -0.155 0.000 1.392 400 I CB 0.111 37.994 38.000 -0.196 0.000 1.065 400 I HN 1.012 nan 8.210 nan 0.000 0.424 401 T N -1.904 112.476 114.554 -0.290 0.000 2.904 401 T HA -0.178 4.171 4.350 -0.002 0.000 0.267 401 T C 1.849 176.474 174.700 -0.126 0.000 1.059 401 T CA 1.194 63.142 62.100 -0.254 0.000 1.137 401 T CB -0.231 68.460 68.868 -0.295 0.000 0.879 401 T HN 0.149 nan 8.240 nan 0.000 0.467 402 K N 0.683 121.025 120.400 -0.098 0.000 2.103 402 K HA -0.067 4.252 4.320 -0.002 0.000 0.204 402 K C 2.205 178.780 176.600 -0.042 0.000 1.052 402 K CA 1.200 57.445 56.287 -0.071 0.000 0.945 402 K CB -0.715 31.736 32.500 -0.082 0.000 0.722 402 K HN 0.555 nan 8.250 nan 0.000 0.443 403 H N 0.096 119.088 119.070 -0.131 0.000 2.319 403 H HA -0.108 4.447 4.556 -0.002 0.000 0.299 403 H C 1.928 177.181 175.328 -0.124 0.000 1.092 403 H CA 2.532 58.489 56.048 -0.150 0.000 1.302 403 H CB -0.170 29.515 29.762 -0.129 0.000 1.373 403 H HN 0.254 nan 8.280 nan 0.000 0.497 404 M N -0.085 119.466 119.600 -0.081 0.000 2.159 404 M HA -0.160 4.319 4.480 -0.002 0.000 0.263 404 M C 2.323 178.597 176.300 -0.042 0.000 1.063 404 M CA 2.161 57.444 55.300 -0.028 0.000 1.110 404 M CB -0.118 32.475 32.600 -0.012 0.000 1.374 404 M HN 0.504 nan 8.290 nan 0.000 0.411 405 E N 0.163 120.319 120.200 -0.075 0.000 2.110 405 E HA -0.236 4.113 4.350 -0.002 0.000 0.193 405 E C 1.980 178.524 176.600 -0.092 0.000 0.988 405 E CA 1.232 57.589 56.400 -0.072 0.000 0.804 405 E CB -0.019 29.639 29.700 -0.069 0.000 0.745 405 E HN 0.537 nan 8.360 nan 0.000 0.458 406 R N -0.870 119.544 120.500 -0.144 0.000 2.115 406 R HA -0.105 4.233 4.340 -0.002 0.000 0.230 406 R C 2.106 178.299 176.300 -0.179 0.000 1.111 406 R CA 1.296 57.291 56.100 -0.175 0.000 0.976 406 R CB -0.207 29.959 30.300 -0.223 0.000 0.870 406 R HN 0.396 nan 8.270 nan 0.000 0.445 407 Y N 0.732 120.919 120.300 -0.187 0.000 2.242 407 Y HA -0.177 4.372 4.550 -0.002 0.000 0.291 407 Y C 2.271 178.004 175.900 -0.278 0.000 1.137 407 Y CA 0.649 58.629 58.100 -0.201 0.000 1.181 407 Y CB 0.030 38.426 38.460 -0.107 0.000 0.989 407 Y HN 0.010 nan 8.280 nan 0.000 0.527 408 L N -0.405 120.776 121.223 -0.069 0.000 2.012 408 L HA -0.273 4.066 4.340 -0.002 0.000 0.210 408 L C 1.901 178.682 176.870 -0.147 0.000 1.073 408 L CA 1.305 56.053 54.840 -0.155 0.000 0.748 408 L CB -0.632 41.365 42.059 -0.103 0.000 0.891 408 L HN 0.222 nan 8.230 nan 0.000 0.431 409 D N 0.444 120.782 120.400 -0.103 0.000 2.092 409 D HA -0.186 4.453 4.640 -0.002 0.000 0.193 409 D C 2.259 178.506 176.300 -0.089 0.000 0.994 409 D CA 1.377 55.326 54.000 -0.085 0.000 0.828 409 D CB -0.206 40.551 40.800 -0.070 0.000 0.963 409 D HN 0.295 nan 8.370 nan 0.000 0.450 410 I N 0.562 121.079 120.570 -0.088 0.000 2.127 410 I HA -0.260 3.909 4.170 -0.002 0.000 0.241 410 I C 2.505 178.549 176.117 -0.121 0.000 1.075 410 I CA 0.813 62.070 61.300 -0.073 0.000 1.334 410 I CB -0.286 37.699 38.000 -0.024 0.000 1.040 410 I HN -0.001 nan 8.210 nan 0.000 0.405 411 L N 0.456 121.529 121.223 -0.251 0.000 2.012 411 L HA -0.257 4.082 4.340 -0.002 0.000 0.210 411 L C 2.333 179.061 176.870 -0.237 0.000 1.073 411 L CA 1.417 55.996 54.840 -0.435 0.000 0.748 411 L CB -0.900 40.607 42.059 -0.921 0.000 0.891 411 L HN 0.374 nan 8.230 nan 0.000 0.431 412 N N -0.064 118.528 118.700 -0.181 0.000 2.223 412 N HA -0.144 4.595 4.740 -0.002 0.000 0.185 412 N C 2.050 177.539 175.510 -0.035 0.000 1.016 412 N CA 1.702 54.701 53.050 -0.085 0.000 0.863 412 N CB -0.201 38.240 38.487 -0.078 0.000 0.983 412 N HN 0.404 nan 8.380 nan 0.000 0.429 413 S N 0.145 115.821 115.700 -0.040 0.000 2.481 413 S HA 0.041 4.509 4.470 -0.002 0.000 0.231 413 S C 1.236 175.841 174.600 0.008 0.000 0.996 413 S CA 0.115 58.306 58.200 -0.015 0.000 0.942 413 S CB -0.212 62.977 63.200 -0.019 0.000 0.768 413 S HN 0.113 nan 8.310 nan 0.000 0.520 414 L N 0.622 121.859 121.223 0.024 0.000 2.543 414 L HA 0.682 5.021 4.340 -0.002 0.000 0.231 414 L C 1.042 177.960 176.870 0.081 0.000 1.194 414 L CA -0.120 54.760 54.840 0.067 0.000 0.823 414 L CB 0.255 42.386 42.059 0.121 0.000 1.374 414 L HN 0.468 nan 8.230 nan 0.000 0.507 415 G N 0.000 108.852 108.800 0.086 0.000 5.446 415 G HA2 0.000 3.959 3.960 -0.002 0.000 0.244 415 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 415 G CA 0.000 nan 45.100 nan 0.000 0.502 415 G HN 0.000 nan 8.290 nan 0.000 0.925