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 1yrq_1_H DATA FIRST_RESID 5 DATA SEQUENCE KPTPQSTFTG PIVVDPITRI EGHLRIMVEV ENGKVKDAWS SSQLFRGLEI DATA SEQUENCE ILKGRDPRDA QHFTQRACGV CTYVHALASS RCVDDAVKVS IPANARMMRN DATA SEQUENCE LVMASQYLHD HLVHFYHLHA LDWVDVTAAL KADPNKAAKL AASIAPARPG DATA SEQUENCE NSAKALKAVQ DKLKAFVESG QLGIFTNAYF LGGHKAYYLP PEVNLIATAH DATA SEQUENCE YLEALHMQVK AASAMAILGG KNPHTQFTVV GGCSNYQGLT KDPLANYLAL DATA SEQUENCE SKEVcQFVNE CYIPDLLAVA GFYKDWGGIG GTSNYLAFGE FATDDSSPSK DATA SEQUENCE HLATSQFPSG VITGRDLGKV DNVDLGAIYE DVKYSWYAPG GDGKHPYDGV DATA SEQUENCE TDPKYTKLDD KDHYSWMKAP RYKGKAMEVG PLARTFIAYA KGQPDFKKVV DATA SEQUENCE DMVLGKLSVP ATALHSTLGR TAARGIETAI VcANMEKWIK EMADSGAKDN DATA SEQUENCE TLCAKWEMPE ESKGVGLADA PRGALSHWIR IKGKKIDNFQ LVVPSTWNLG DATA SEQUENCE PRGAQGDKSP VEEALIGTPI ADPKRPVEIL RTVHAFDPCI ACGVH 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 5 K HA 0.000 nan 4.320 nan 0.000 0.191 5 K C 0.000 176.554 176.600 -0.077 0.000 0.988 5 K CA 0.000 56.245 56.287 -0.070 0.000 0.838 5 K CB 0.000 32.444 32.500 -0.094 0.000 1.064 6 P HA 0.558 nan 4.420 nan 0.000 0.279 6 P C -0.263 177.052 177.300 0.025 0.000 1.276 6 P CA -0.256 62.840 63.100 -0.005 0.000 0.801 6 P CB 0.618 32.325 31.700 0.011 0.000 1.127 7 T N 2.638 117.236 114.554 0.073 0.000 2.793 7 T HA 0.180 4.530 4.350 -0.000 0.000 0.289 7 T C -2.061 172.737 174.700 0.162 0.000 0.956 7 T CA -0.406 61.793 62.100 0.166 0.000 1.177 7 T CB -0.773 68.172 68.868 0.127 0.000 0.897 7 T HN 0.359 nan 8.240 nan 0.000 0.533 8 P HA 0.132 nan 4.420 nan 0.000 0.264 8 P C -0.456 176.949 177.300 0.175 0.000 1.193 8 P CA -0.092 63.128 63.100 0.200 0.000 0.763 8 P CB 0.458 32.324 31.700 0.276 0.000 0.810 9 Q N 1.616 121.491 119.800 0.125 0.000 2.320 9 Q HA 0.419 4.759 4.340 -0.000 0.000 0.272 9 Q C -0.735 175.321 176.000 0.094 0.000 1.023 9 Q CA -0.589 55.280 55.803 0.110 0.000 0.855 9 Q CB 1.743 30.532 28.738 0.086 0.000 1.367 9 Q HN 0.541 nan 8.270 nan 0.000 0.406 10 S N 1.242 117.002 115.700 0.101 0.000 2.646 10 S HA 0.345 4.815 4.470 -0.000 0.000 0.273 10 S C 0.829 175.492 174.600 0.105 0.000 1.168 10 S CA 0.323 58.582 58.200 0.098 0.000 1.013 10 S CB 0.933 64.198 63.200 0.108 0.000 1.098 10 S HN 0.789 nan 8.310 nan 0.000 0.544 11 T N -2.460 112.161 114.554 0.111 0.000 3.134 11 T HA 0.280 4.630 4.350 -0.000 0.000 0.260 11 T C -0.020 174.747 174.700 0.111 0.000 1.027 11 T CA -0.552 61.602 62.100 0.089 0.000 0.913 11 T CB -0.899 68.003 68.868 0.057 0.000 1.046 11 T HN 0.473 nan 8.240 nan 0.000 0.553 12 F N 3.156 123.118 119.950 0.019 0.000 2.608 12 F HA 0.368 4.894 4.527 -0.000 0.000 0.380 12 F C -0.180 175.633 175.800 0.020 0.000 1.083 12 F CA 0.547 58.558 58.000 0.018 0.000 1.266 12 F CB 0.543 39.555 39.000 0.019 0.000 1.076 12 F HN 0.007 nan 8.300 nan 0.000 0.574 13 T N 5.098 119.124 114.554 -0.880 0.000 2.906 13 T HA 0.687 5.037 4.350 -0.000 0.000 0.302 13 T C -0.153 173.941 174.700 -1.010 0.000 1.002 13 T CA -0.181 61.506 62.100 -0.689 0.000 0.988 13 T CB 0.915 69.592 68.868 -0.318 0.000 0.972 13 T HN 1.107 nan 8.240 nan 0.000 0.447 14 G N 4.223 112.589 108.800 -0.725 0.000 2.327 14 G HA2 0.457 4.417 3.960 -0.000 0.000 0.291 14 G HA3 0.457 4.417 3.960 -0.000 0.000 0.291 14 G C -3.452 171.527 174.900 0.132 0.000 1.290 14 G CA -0.884 44.027 45.100 -0.315 0.000 0.857 14 G HN 0.453 nan 8.290 nan 0.000 0.520 15 P HA 0.656 nan 4.420 nan 0.000 0.281 15 P C -0.707 176.756 177.300 0.271 0.000 1.249 15 P CA -0.330 62.895 63.100 0.209 0.000 0.810 15 P CB 1.611 33.374 31.700 0.104 0.000 1.008 16 I N 1.364 122.050 120.570 0.194 0.000 2.533 16 I HA 0.340 4.510 4.170 -0.000 0.000 0.290 16 I C -0.510 175.666 176.117 0.100 0.000 1.056 16 I CA -1.146 60.222 61.300 0.113 0.000 1.057 16 I CB 2.550 40.591 38.000 0.069 0.000 1.240 16 I HN -0.019 nan 8.210 nan 0.000 0.423 17 V N 6.609 126.570 119.914 0.077 0.000 2.495 17 V HA 0.458 4.578 4.120 -0.000 0.000 0.298 17 V C -0.336 175.810 176.094 0.087 0.000 1.031 17 V CA -0.664 61.685 62.300 0.082 0.000 0.871 17 V CB 2.417 34.280 31.823 0.066 0.000 0.988 17 V HN 0.411 nan 8.190 nan 0.000 0.432 18 V N 3.689 123.663 119.914 0.101 0.000 2.376 18 V HA 0.614 4.734 4.120 -0.000 0.000 0.287 18 V C -0.900 175.261 176.094 0.111 0.000 1.015 18 V CA -0.318 62.047 62.300 0.108 0.000 0.834 18 V CB 1.524 33.414 31.823 0.111 0.000 1.001 18 V HN 0.928 nan 8.190 nan 0.000 0.428 19 D N 5.412 125.878 120.400 0.109 0.000 2.591 19 D HA 0.444 5.084 4.640 -0.000 0.000 0.222 19 D C -2.450 173.914 176.300 0.106 0.000 1.360 19 D CA -0.600 53.472 54.000 0.120 0.000 0.967 19 D CB 2.572 43.447 40.800 0.126 0.000 1.456 19 D HN 0.451 nan 8.370 nan 0.000 0.588 20 P HA 0.450 nan 4.420 nan 0.000 0.284 20 P C -0.187 177.176 177.300 0.105 0.000 1.258 20 P CA -0.678 62.497 63.100 0.125 0.000 0.824 20 P CB 1.219 32.997 31.700 0.131 0.000 1.038 21 I N 2.606 123.243 120.570 0.113 0.000 2.421 21 I HA 0.042 4.212 4.170 -0.000 0.000 0.291 21 I C 1.433 177.621 176.117 0.119 0.000 1.089 21 I CA 0.251 61.611 61.300 0.100 0.000 1.354 21 I CB -0.012 38.043 38.000 0.093 0.000 1.413 21 I HN 0.513 nan 8.210 nan 0.000 0.513 22 T N 3.475 118.098 114.554 0.116 0.000 2.824 22 T HA 0.413 4.763 4.350 -0.000 0.000 0.277 22 T C 0.816 175.614 174.700 0.164 0.000 0.975 22 T CA -0.725 61.434 62.100 0.099 0.000 0.966 22 T CB 0.793 69.682 68.868 0.035 0.000 1.054 22 T HN 0.627 nan 8.240 nan 0.000 0.533 23 R N -0.249 120.280 120.500 0.047 0.000 3.525 23 R HA -0.151 4.189 4.340 -0.000 0.000 0.276 23 R C -0.016 176.266 176.300 -0.031 0.000 1.116 23 R CA 0.892 56.958 56.100 -0.058 0.000 0.745 23 R CB -2.221 27.943 30.300 -0.226 0.000 1.185 23 R HN 0.796 nan 8.270 nan 0.000 0.454 24 I N -4.936 115.692 120.570 0.096 0.000 3.322 24 I HA 0.562 4.732 4.170 -0.000 0.000 0.313 24 I C -0.127 176.039 176.117 0.082 0.000 1.129 24 I CA -1.215 60.169 61.300 0.139 0.000 0.963 24 I CB 1.708 39.827 38.000 0.197 0.000 1.273 24 I HN -0.234 nan 8.210 nan 0.000 0.473 25 E N 1.421 121.675 120.200 0.091 0.000 2.249 25 E HA 0.588 4.938 4.350 -0.000 0.000 0.280 25 E C 0.039 176.644 176.600 0.009 0.000 1.016 25 E CA 0.759 57.187 56.400 0.046 0.000 0.830 25 E CB 1.244 30.994 29.700 0.083 0.000 1.081 25 E HN 1.036 nan 8.360 nan 0.000 0.395 26 G N 3.899 112.629 108.800 -0.116 0.000 2.627 26 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.214 26 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.214 26 G C -1.003 173.689 174.900 -0.346 0.000 1.331 26 G CA -0.599 44.376 45.100 -0.210 0.000 0.891 26 G HN 0.673 nan 8.290 nan 0.000 0.539 27 H N -0.372 118.776 119.070 0.130 0.000 2.792 27 H HA 0.581 5.136 4.556 -0.000 0.000 0.298 27 H C -0.633 174.801 175.328 0.177 0.000 1.042 27 H CA -0.394 55.738 56.048 0.140 0.000 1.300 27 H CB 1.274 31.113 29.762 0.129 0.000 1.431 27 H HN 0.525 nan 8.280 nan 0.000 0.496 28 L N 3.340 124.706 121.223 0.239 0.000 2.365 28 L HA 0.447 4.787 4.340 -0.000 0.000 0.273 28 L C -0.286 176.708 176.870 0.206 0.000 1.000 28 L CA -0.647 54.325 54.840 0.221 0.000 0.819 28 L CB 1.785 43.947 42.059 0.171 0.000 1.284 28 L HN 0.527 nan 8.230 nan 0.000 0.418 29 R N 5.865 126.499 120.500 0.222 0.000 2.437 29 R HA 0.636 4.975 4.340 -0.000 0.000 0.310 29 R C -1.659 174.751 176.300 0.182 0.000 0.955 29 R CA -0.669 55.548 56.100 0.195 0.000 0.851 29 R CB 1.120 31.550 30.300 0.216 0.000 1.161 29 R HN 0.632 nan 8.270 nan 0.000 0.446 30 I N 5.535 126.194 120.570 0.150 0.000 2.404 30 I HA 0.333 4.503 4.170 -0.000 0.000 0.293 30 I C -0.572 175.634 176.117 0.147 0.000 0.992 30 I CA -1.015 60.373 61.300 0.147 0.000 1.149 30 I CB 1.799 39.867 38.000 0.113 0.000 1.315 30 I HN 0.723 nan 8.210 nan 0.000 0.446 31 M N 7.215 126.926 119.600 0.186 0.000 2.321 31 M HA 0.542 5.022 4.480 -0.000 0.000 0.315 31 M C -0.402 176.091 176.300 0.323 0.000 1.052 31 M CA -0.700 54.710 55.300 0.184 0.000 0.936 31 M CB 2.139 34.773 32.600 0.055 0.000 1.639 31 M HN 0.351 nan 8.290 nan 0.000 0.433 32 V N -1.322 118.747 119.914 0.260 0.000 2.914 32 V HA 0.744 4.864 4.120 -0.000 0.000 0.314 32 V C -0.804 175.460 176.094 0.284 0.000 1.084 32 V CA -0.699 61.766 62.300 0.275 0.000 0.963 32 V CB 2.265 34.187 31.823 0.164 0.000 1.025 32 V HN 0.743 nan 8.190 nan 0.000 0.432 33 E N 1.917 122.291 120.200 0.290 0.000 2.151 33 E HA 0.635 4.985 4.350 -0.000 0.000 0.275 33 E C -1.055 175.632 176.600 0.145 0.000 0.936 33 E CA -0.345 56.182 56.400 0.212 0.000 0.777 33 E CB 2.145 31.978 29.700 0.221 0.000 1.108 33 E HN 0.689 nan 8.360 nan 0.000 0.401 34 V N 2.156 122.159 119.914 0.148 0.000 2.667 34 V HA 0.422 4.541 4.120 -0.000 0.000 0.308 34 V C 0.006 176.123 176.094 0.037 0.000 1.048 34 V CA -0.779 61.605 62.300 0.141 0.000 0.928 34 V CB 2.044 34.054 31.823 0.311 0.000 1.004 34 V HN 0.592 nan 8.190 nan 0.000 0.444 35 E N 2.868 123.086 120.200 0.031 0.000 2.265 35 E HA 0.352 4.702 4.350 -0.000 0.000 0.262 35 E C -0.685 175.918 176.600 0.005 0.000 0.889 35 E CA -0.536 55.854 56.400 -0.016 0.000 0.789 35 E CB 0.770 30.462 29.700 -0.013 0.000 1.221 35 E HN 0.759 nan 8.360 nan 0.000 0.414 36 N N 2.999 121.692 118.700 -0.011 0.000 2.735 36 N HA -0.221 4.519 4.740 -0.000 0.000 0.248 36 N C 0.549 176.096 175.510 0.060 0.000 1.083 36 N CA 1.428 54.488 53.050 0.018 0.000 0.703 36 N CB -1.443 37.049 38.487 0.010 0.000 1.005 36 N HN 0.969 nan 8.380 nan 0.000 0.550 37 G N -1.348 107.518 108.800 0.110 0.000 2.162 37 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.260 37 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.260 37 G C -0.028 174.938 174.900 0.110 0.000 0.976 37 G CA 0.907 46.092 45.100 0.143 0.000 0.655 37 G HN 0.535 nan 8.290 nan 0.000 0.533 38 K N 0.101 120.551 120.400 0.084 0.000 2.345 38 K HA 0.567 4.887 4.320 -0.000 0.000 0.255 38 K C 0.335 176.975 176.600 0.065 0.000 0.934 38 K CA -0.923 55.401 56.287 0.062 0.000 0.801 38 K CB 2.686 35.204 32.500 0.031 0.000 1.137 38 K HN 0.013 nan 8.250 nan 0.000 0.424 39 V N 4.184 124.137 119.914 0.065 0.000 2.540 39 V HA -0.076 4.044 4.120 -0.000 0.000 0.297 39 V C 1.204 177.311 176.094 0.021 0.000 1.024 39 V CA 0.738 63.074 62.300 0.060 0.000 1.105 39 V CB 0.491 32.349 31.823 0.059 0.000 0.938 39 V HN 0.842 nan 8.190 nan 0.000 0.482 40 K N 2.204 122.613 120.400 0.014 0.000 2.391 40 K HA 0.308 4.628 4.320 -0.000 0.000 0.197 40 K C 0.108 176.666 176.600 -0.071 0.000 1.087 40 K CA -0.071 56.204 56.287 -0.019 0.000 1.012 40 K CB 0.817 33.315 32.500 -0.005 0.000 0.925 40 K HN 0.569 nan 8.250 nan 0.000 0.547 41 D N -0.223 120.124 120.400 -0.089 0.000 2.655 41 D HA 0.573 5.213 4.640 -0.000 0.000 0.229 41 D C -1.887 174.203 176.300 -0.351 0.000 1.229 41 D CA -0.438 53.390 54.000 -0.286 0.000 0.807 41 D CB 2.519 43.137 40.800 -0.304 0.000 1.514 41 D HN 0.226 nan 8.370 nan 0.000 0.444 42 A N 1.777 124.170 122.820 -0.712 0.000 2.549 42 A HA 0.731 5.050 4.320 -0.000 0.000 0.297 42 A C -1.690 175.470 177.584 -0.706 0.000 1.061 42 A CA -0.791 50.991 52.037 -0.424 0.000 0.690 42 A CB 1.703 20.582 19.000 -0.202 0.000 1.287 42 A HN 0.383 nan 8.150 nan 0.000 0.402 43 W N 1.057 122.268 121.300 -0.148 0.000 2.839 43 W HA 0.515 5.175 4.660 -0.000 0.000 0.334 43 W C -0.136 176.364 176.519 -0.031 0.000 1.064 43 W CA -0.545 56.659 57.345 -0.235 0.000 1.236 43 W CB 2.424 31.562 29.460 -0.536 0.000 1.405 43 W HN 0.697 nan 8.180 nan 0.000 0.478 44 S N 2.304 118.184 115.700 0.299 0.000 2.461 44 S HA 0.301 4.771 4.470 -0.000 0.000 0.322 44 S C -0.454 174.358 174.600 0.353 0.000 1.063 44 S CA -0.092 58.259 58.200 0.252 0.000 1.120 44 S CB 0.738 64.017 63.200 0.132 0.000 0.968 44 S HN 0.333 nan 8.310 nan 0.000 0.467 45 S N 4.473 120.362 115.700 0.316 0.000 2.532 45 S HA 0.467 4.937 4.470 -0.000 0.000 0.318 45 S C -0.285 174.504 174.600 0.314 0.000 1.083 45 S CA -0.578 57.813 58.200 0.319 0.000 1.131 45 S CB 0.301 63.700 63.200 0.333 0.000 0.973 45 S HN 0.667 nan 8.310 nan 0.000 0.468 46 S N 4.188 120.075 115.700 0.311 0.000 2.548 46 S HA 0.246 4.716 4.470 -0.000 0.000 0.277 46 S C 0.786 175.766 174.600 0.633 0.000 1.315 46 S CA -0.575 57.867 58.200 0.403 0.000 1.050 46 S CB 1.069 64.484 63.200 0.359 0.000 0.918 46 S HN 0.746 nan 8.310 nan 0.000 0.497 47 Q N 0.865 120.994 119.800 0.548 0.000 2.217 47 Q HA 0.291 4.630 4.340 -0.000 0.000 0.217 47 Q C -0.644 175.596 176.000 0.401 0.000 0.844 47 Q CA -0.009 56.123 55.803 0.548 0.000 0.957 47 Q CB 0.427 29.388 28.738 0.372 0.000 1.127 47 Q HN 0.545 nan 8.270 nan 0.000 0.503 48 L N -0.026 121.383 121.223 0.310 0.000 2.385 48 L HA 0.556 4.896 4.340 -0.000 0.000 0.273 48 L C -1.579 175.170 176.870 -0.201 0.000 0.990 48 L CA -0.866 53.976 54.840 0.003 0.000 0.821 48 L CB 1.565 43.665 42.059 0.067 0.000 1.279 48 L HN -0.121 nan 8.230 nan 0.000 0.412 49 F N 4.683 124.151 119.950 -0.803 0.000 2.458 49 F HA 0.591 5.118 4.527 -0.000 0.000 0.336 49 F C 0.739 176.283 175.800 -0.427 0.000 1.114 49 F CA -0.155 57.371 58.000 -0.791 0.000 0.987 49 F CB 1.501 39.541 39.000 -1.601 0.000 1.130 49 F HN 0.643 nan 8.300 nan 0.000 0.458 50 R N 2.580 122.514 120.500 -0.943 0.000 2.144 50 R HA 0.330 4.670 4.340 -0.000 0.000 0.195 50 R C 0.445 176.254 176.300 -0.819 0.000 1.077 50 R CA 0.359 56.081 56.100 -0.629 0.000 1.120 50 R CB 0.325 30.420 30.300 -0.342 0.000 1.060 50 R HN 0.912 nan 8.270 nan 0.000 0.520 51 G N 1.427 109.555 108.800 -1.119 0.000 2.270 51 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.224 51 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.224 51 G C 0.451 175.238 174.900 -0.188 0.000 1.079 51 G CA -0.126 44.550 45.100 -0.706 0.000 0.807 51 G HN 0.130 nan 8.290 nan 0.000 0.492 52 L N -0.565 120.576 121.223 -0.137 0.000 2.079 52 L HA -0.100 4.240 4.340 -0.000 0.000 0.210 52 L C 2.770 179.621 176.870 -0.031 0.000 1.081 52 L CA 2.136 56.946 54.840 -0.050 0.000 0.752 52 L CB -0.405 41.631 42.059 -0.039 0.000 0.896 52 L HN 0.514 nan 8.230 nan 0.000 0.433 53 E N 0.517 120.747 120.200 0.050 0.000 2.085 53 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 53 E C 2.242 178.880 176.600 0.063 0.000 0.994 53 E CA 1.278 57.731 56.400 0.088 0.000 0.801 53 E CB -0.163 29.638 29.700 0.167 0.000 0.743 53 E HN 0.511 nan 8.360 nan 0.000 0.453 54 I N 0.663 121.284 120.570 0.085 0.000 2.252 54 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 54 I C 2.259 178.381 176.117 0.007 0.000 1.102 54 I CA 1.002 62.348 61.300 0.078 0.000 1.385 54 I CB -0.196 37.891 38.000 0.144 0.000 1.064 54 I HN 0.076 nan 8.210 nan 0.000 0.414 55 I N 0.404 120.955 120.570 -0.031 0.000 2.394 55 I HA -0.250 3.920 4.170 -0.000 0.000 0.251 55 I C 2.349 178.323 176.117 -0.238 0.000 1.136 55 I CA 1.220 62.467 61.300 -0.087 0.000 1.425 55 I CB -0.139 37.838 38.000 -0.039 0.000 1.079 55 I HN 0.182 nan 8.210 nan 0.000 0.425 56 L N 0.306 121.365 121.223 -0.273 0.000 2.201 56 L HA -0.118 4.222 4.340 -0.000 0.000 0.212 56 L C 1.414 178.157 176.870 -0.212 0.000 1.105 56 L CA 0.527 55.136 54.840 -0.384 0.000 0.775 56 L CB -0.335 41.511 42.059 -0.355 0.000 0.913 56 L HN 0.126 nan 8.230 nan 0.000 0.440 57 K N 0.530 120.871 120.400 -0.098 0.000 2.491 57 K HA 0.013 4.332 4.320 -0.000 0.000 0.279 57 K C 1.023 177.594 176.600 -0.049 0.000 1.026 57 K CA 0.898 57.164 56.287 -0.035 0.000 1.070 57 K CB 0.196 32.697 32.500 0.002 0.000 0.887 57 K HN 0.299 nan 8.250 nan 0.000 0.481 58 G N 3.472 112.257 108.800 -0.025 0.000 2.176 58 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.253 58 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.253 58 G C 0.141 175.021 174.900 -0.033 0.000 0.979 58 G CA 0.183 45.272 45.100 -0.018 0.000 0.641 58 G HN 0.649 nan 8.290 nan 0.000 0.530 59 R N 0.288 120.742 120.500 -0.077 0.000 2.580 59 R HA 0.433 4.772 4.340 -0.000 0.000 0.267 59 R C -0.259 176.019 176.300 -0.038 0.000 1.125 59 R CA -0.451 55.596 56.100 -0.089 0.000 1.188 59 R CB 0.331 30.495 30.300 -0.226 0.000 1.155 59 R HN 0.189 nan 8.270 nan 0.000 0.586 60 D N 1.125 121.520 120.400 -0.008 0.000 2.371 60 D HA 0.051 4.691 4.640 -0.000 0.000 0.256 60 D C -1.698 174.625 176.300 0.037 0.000 1.193 60 D CA -2.107 51.917 54.000 0.039 0.000 0.881 60 D CB 1.239 42.081 40.800 0.070 0.000 1.143 60 D HN 0.102 nan 8.370 nan 0.000 0.473 61 P HA -0.101 nan 4.420 nan 0.000 0.219 61 P C 1.150 178.474 177.300 0.040 0.000 1.146 61 P CA 1.001 64.137 63.100 0.060 0.000 0.808 61 P CB 0.224 31.982 31.700 0.095 0.000 0.779 62 R N -0.636 119.916 120.500 0.086 0.000 2.115 62 R HA -0.101 4.239 4.340 -0.000 0.000 0.230 62 R C 1.435 177.800 176.300 0.107 0.000 1.111 62 R CA 1.202 57.359 56.100 0.096 0.000 0.976 62 R CB -0.552 29.864 30.300 0.194 0.000 0.870 62 R HN 0.209 nan 8.270 nan 0.000 0.445 63 D N 0.312 120.793 120.400 0.134 0.000 2.277 63 D HA -0.002 4.637 4.640 -0.000 0.000 0.208 63 D C 1.686 178.089 176.300 0.171 0.000 0.962 63 D CA 0.803 54.957 54.000 0.256 0.000 0.865 63 D CB -0.052 40.894 40.800 0.242 0.000 0.939 63 D HN 0.176 nan 8.370 nan 0.000 0.510 64 A N 1.659 124.443 122.820 -0.060 0.000 1.869 64 A HA -0.340 3.980 4.320 -0.000 0.000 0.218 64 A C 2.136 179.610 177.584 -0.183 0.000 1.203 64 A CA 2.625 54.501 52.037 -0.268 0.000 0.638 64 A CB -1.049 17.686 19.000 -0.442 0.000 0.831 64 A HN 0.441 nan 8.150 nan 0.000 0.450 65 Q N -1.647 118.016 119.800 -0.228 0.000 2.234 65 Q HA -0.248 4.092 4.340 -0.000 0.000 0.206 65 Q C 1.794 177.641 176.000 -0.255 0.000 0.980 65 Q CA 1.810 57.454 55.803 -0.265 0.000 0.869 65 Q CB -0.634 27.868 28.738 -0.393 0.000 0.912 65 Q HN 0.813 nan 8.270 nan 0.000 0.436 66 H N -0.474 118.597 119.070 0.002 0.000 2.372 66 H HA -0.001 4.555 4.556 -0.000 0.000 0.301 66 H C 1.724 176.970 175.328 -0.137 0.000 1.065 66 H CA 1.176 57.183 56.048 -0.068 0.000 1.364 66 H CB -0.323 29.399 29.762 -0.067 0.000 1.406 66 H HN 0.286 nan 8.280 nan 0.000 0.521 67 F N 1.470 121.392 119.950 -0.047 0.000 2.075 67 F HA -0.208 4.319 4.527 -0.000 0.000 0.297 67 F C 2.966 178.671 175.800 -0.158 0.000 1.113 67 F CA 1.911 59.842 58.000 -0.115 0.000 1.218 67 F CB -0.784 38.125 39.000 -0.152 0.000 0.984 67 F HN 0.211 nan 8.300 nan 0.000 0.472 68 T N -2.245 112.318 114.554 0.014 0.000 2.915 68 T HA -0.228 4.122 4.350 -0.000 0.000 0.269 68 T C 1.820 176.507 174.700 -0.022 0.000 1.071 68 T CA 1.264 63.329 62.100 -0.059 0.000 1.132 68 T CB -0.597 68.259 68.868 -0.021 0.000 0.878 68 T HN 0.380 nan 8.240 nan 0.000 0.479 69 Q N 0.552 120.338 119.800 -0.024 0.000 2.181 69 Q HA -0.075 4.265 4.340 -0.000 0.000 0.205 69 Q C 1.898 177.829 176.000 -0.114 0.000 0.980 69 Q CA 1.119 56.903 55.803 -0.032 0.000 0.862 69 Q CB -0.028 28.625 28.738 -0.142 0.000 0.905 69 Q HN 0.357 nan 8.270 nan 0.000 0.429 70 R N -0.578 119.813 120.500 -0.180 0.000 2.319 70 R HA 0.155 4.495 4.340 -0.000 0.000 0.204 70 R C 1.522 177.815 176.300 -0.012 0.000 0.954 70 R CA 0.626 56.669 56.100 -0.095 0.000 1.066 70 R CB -0.213 30.022 30.300 -0.109 0.000 0.991 70 R HN 0.283 nan 8.270 nan 0.000 0.486 71 A N -0.565 122.198 122.820 -0.096 0.000 2.024 71 A HA -0.111 4.209 4.320 -0.000 0.000 0.220 71 A C 0.832 178.423 177.584 0.013 0.000 1.164 71 A CA 1.199 53.152 52.037 -0.140 0.000 0.643 71 A CB -0.139 18.544 19.000 -0.528 0.000 0.806 71 A HN 0.412 nan 8.150 nan 0.000 0.451 72 C N -3.764 115.621 119.300 0.142 0.000 3.113 72 C HA 0.577 5.037 4.460 -0.000 0.000 0.376 72 C C 1.143 176.325 174.990 0.320 0.000 1.077 72 C CA -0.133 59.026 59.018 0.234 0.000 1.253 72 C CB 0.985 28.886 27.740 0.269 0.000 1.637 72 C HN 0.528 nan 8.230 nan 0.000 0.535 73 G N 2.384 111.304 108.800 0.200 0.000 3.044 73 G HA2 0.243 4.203 3.960 -0.000 0.000 0.223 73 G HA3 0.243 4.203 3.960 -0.000 0.000 0.223 73 G C 0.905 175.837 174.900 0.053 0.000 1.123 73 G CA 0.981 46.112 45.100 0.052 0.000 0.765 73 G HN 0.718 nan 8.290 nan 0.000 0.546 74 V N 1.311 121.297 119.914 0.119 0.000 2.300 74 V HA -0.066 4.054 4.120 -0.000 0.000 0.241 74 V C 2.176 178.369 176.094 0.166 0.000 1.034 74 V CA 1.419 63.802 62.300 0.138 0.000 1.021 74 V CB -0.471 31.435 31.823 0.139 0.000 0.662 74 V HN 0.570 nan 8.190 nan 0.000 0.458 75 C N 1.250 120.658 119.300 0.179 0.000 3.057 75 C HA 0.441 4.901 4.460 -0.000 0.000 0.563 75 C C 1.095 176.216 174.990 0.217 0.000 1.129 75 C CA -1.026 58.096 59.018 0.172 0.000 1.284 75 C CB -2.339 25.476 27.740 0.125 0.000 1.532 75 C HN 0.432 nan 8.230 nan 0.000 0.631 76 T N -0.069 114.620 114.554 0.224 0.000 2.734 76 T HA 0.201 4.550 4.350 -0.000 0.000 0.314 76 T C 0.579 175.484 174.700 0.342 0.000 1.057 76 T CA 1.531 63.814 62.100 0.305 0.000 1.047 76 T CB 0.159 69.149 68.868 0.204 0.000 0.991 76 T HN 1.370 nan 8.240 nan 0.000 0.540 77 Y N 0.933 121.360 120.300 0.212 0.000 2.802 77 Y HA -0.381 4.169 4.550 -0.000 0.000 0.485 77 Y C 1.626 177.571 175.900 0.075 0.000 1.190 77 Y CA 3.357 61.549 58.100 0.152 0.000 2.757 77 Y CB -2.135 36.421 38.460 0.161 0.000 0.919 77 Y HN 0.499 nan 8.280 nan 0.000 0.540 78 V N -0.785 119.015 119.914 -0.191 0.000 2.392 78 V HA -0.228 3.892 4.120 -0.000 0.000 0.249 78 V C 2.228 178.025 176.094 -0.496 0.000 1.059 78 V CA 2.583 64.616 62.300 -0.445 0.000 1.051 78 V CB -0.915 30.739 31.823 -0.283 0.000 0.658 78 V HN 0.688 nan 8.190 nan 0.000 0.455 79 H N 0.793 119.770 119.070 -0.154 0.000 2.428 79 H HA 0.215 4.771 4.556 -0.000 0.000 0.296 79 H C 2.526 177.753 175.328 -0.168 0.000 1.062 79 H CA 1.564 57.542 56.048 -0.115 0.000 1.350 79 H CB -0.180 29.663 29.762 0.135 0.000 1.403 79 H HN 0.603 nan 8.280 nan 0.000 0.533 80 A N 1.466 124.238 122.820 -0.080 0.000 1.902 80 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 80 A C 2.481 179.895 177.584 -0.283 0.000 1.181 80 A CA 1.224 53.174 52.037 -0.145 0.000 0.623 80 A CB -0.697 18.259 19.000 -0.073 0.000 0.818 80 A HN 0.282 nan 8.150 nan 0.000 0.443 81 L N -0.178 120.751 121.223 -0.490 0.000 2.017 81 L HA -0.052 4.287 4.340 -0.000 0.000 0.208 81 L C 2.631 179.247 176.870 -0.423 0.000 1.073 81 L CA 2.370 56.896 54.840 -0.522 0.000 0.745 81 L CB -0.877 40.693 42.059 -0.814 0.000 0.894 81 L HN 0.323 nan 8.230 nan 0.000 0.432 82 A N -1.543 120.970 122.820 -0.513 0.000 1.902 82 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 82 A C 2.429 179.768 177.584 -0.409 0.000 1.181 82 A CA 1.914 53.594 52.037 -0.594 0.000 0.623 82 A CB -1.037 17.381 19.000 -0.971 0.000 0.818 82 A HN 0.519 nan 8.150 nan 0.000 0.443 83 S N -0.048 115.528 115.700 -0.206 0.000 2.368 83 S HA -0.119 4.351 4.470 -0.000 0.000 0.225 83 S C 2.349 176.942 174.600 -0.012 0.000 1.030 83 S CA 1.514 59.839 58.200 0.208 0.000 0.999 83 S CB -0.276 63.068 63.200 0.239 0.000 0.844 83 S HN 0.656 nan 8.310 nan 0.000 0.459 84 S N 1.219 116.828 115.700 -0.152 0.000 2.356 84 S HA -0.052 4.418 4.470 -0.000 0.000 0.223 84 S C 1.898 176.375 174.600 -0.206 0.000 1.032 84 S CA 0.950 59.030 58.200 -0.200 0.000 1.005 84 S CB -0.215 62.839 63.200 -0.244 0.000 0.867 84 S HN 0.443 nan 8.310 nan 0.000 0.449 85 R N 0.131 120.494 120.500 -0.228 0.000 2.105 85 R HA -0.117 4.222 4.340 -0.000 0.000 0.239 85 R C 2.699 178.872 176.300 -0.212 0.000 1.135 85 R CA 1.412 57.370 56.100 -0.236 0.000 0.967 85 R CB -0.851 29.270 30.300 -0.299 0.000 0.861 85 R HN 0.514 nan 8.270 nan 0.000 0.442 86 C N 0.157 119.348 119.300 -0.180 0.000 2.462 86 C HA -0.037 4.422 4.460 -0.000 0.000 0.278 86 C C 2.577 177.509 174.990 -0.096 0.000 1.253 86 C CA 0.599 59.528 59.018 -0.149 0.000 1.713 86 C CB -0.674 27.013 27.740 -0.088 0.000 2.049 86 C HN 0.284 nan 8.230 nan 0.000 0.477 87 V N 1.506 121.377 119.914 -0.072 0.000 2.427 87 V HA -0.138 3.982 4.120 -0.000 0.000 0.248 87 V C 2.331 178.310 176.094 -0.192 0.000 1.051 87 V CA 2.404 64.642 62.300 -0.103 0.000 1.048 87 V CB -0.818 30.925 31.823 -0.134 0.000 0.666 87 V HN 0.511 nan 8.190 nan 0.000 0.456 88 D N 0.184 120.449 120.400 -0.225 0.000 2.133 88 D HA -0.219 4.421 4.640 -0.000 0.000 0.195 88 D C 1.935 178.146 176.300 -0.150 0.000 0.997 88 D CA 1.923 55.783 54.000 -0.233 0.000 0.840 88 D CB -0.273 40.403 40.800 -0.206 0.000 0.947 88 D HN 0.542 nan 8.370 nan 0.000 0.452 89 D N -0.015 120.310 120.400 -0.125 0.000 2.149 89 D HA -0.021 4.619 4.640 -0.000 0.000 0.201 89 D C 1.910 178.180 176.300 -0.050 0.000 0.972 89 D CA 1.339 55.288 54.000 -0.085 0.000 0.835 89 D CB -0.054 40.687 40.800 -0.099 0.000 0.966 89 D HN 0.080 nan 8.370 nan 0.000 0.476 90 A N 0.074 122.866 122.820 -0.048 0.000 1.969 90 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 90 A C 2.246 179.830 177.584 0.000 0.000 1.169 90 A CA 1.809 53.837 52.037 -0.015 0.000 0.635 90 A CB -0.647 18.355 19.000 0.002 0.000 0.810 90 A HN 0.382 nan 8.150 nan 0.000 0.445 91 V N -5.231 114.672 119.914 -0.018 0.000 3.647 91 V HA 0.239 4.359 4.120 -0.000 0.000 0.279 91 V C 0.227 176.353 176.094 0.054 0.000 1.314 91 V CA 0.297 62.627 62.300 0.051 0.000 1.125 91 V CB -0.507 31.373 31.823 0.095 0.000 0.907 91 V HN 0.362 nan 8.190 nan 0.000 0.434 92 K N -0.088 120.316 120.400 0.006 0.000 3.162 92 K HA -0.130 4.190 4.320 -0.000 0.000 0.268 92 K C -0.368 176.248 176.600 0.026 0.000 1.062 92 K CA 0.980 57.275 56.287 0.012 0.000 0.769 92 K CB -2.081 30.436 32.500 0.028 0.000 1.274 92 K HN 0.657 nan 8.250 nan 0.000 0.478 93 V N 0.149 120.061 119.914 -0.002 0.000 2.547 93 V HA 0.502 4.622 4.120 -0.000 0.000 0.299 93 V C -0.205 175.877 176.094 -0.020 0.000 1.040 93 V CA -0.488 61.820 62.300 0.013 0.000 0.913 93 V CB 2.056 33.888 31.823 0.014 0.000 0.992 93 V HN 0.384 nan 8.190 nan 0.000 0.449 94 S N 6.923 122.624 115.700 0.001 0.000 2.420 94 S HA 0.489 4.959 4.470 -0.000 0.000 0.313 94 S C -0.127 174.469 174.600 -0.007 0.000 1.079 94 S CA -0.816 57.379 58.200 -0.009 0.000 1.104 94 S CB 0.122 63.324 63.200 0.004 0.000 0.969 94 S HN 0.787 nan 8.310 nan 0.000 0.471 95 I N 3.145 123.698 120.570 -0.029 0.000 2.836 95 I HA 0.439 4.609 4.170 -0.000 0.000 0.285 95 I C -2.374 173.739 176.117 -0.006 0.000 1.174 95 I CA -1.845 59.440 61.300 -0.024 0.000 1.405 95 I CB -0.146 37.823 38.000 -0.053 0.000 1.385 95 I HN 0.319 nan 8.210 nan 0.000 0.594 96 P HA 0.114 nan 4.420 nan 0.000 0.269 96 P C 0.409 177.713 177.300 0.007 0.000 1.215 96 P CA -0.170 62.939 63.100 0.015 0.000 0.780 96 P CB 0.891 32.608 31.700 0.029 0.000 0.898 97 A N 2.405 125.233 122.820 0.013 0.000 1.948 97 A HA -0.276 4.044 4.320 -0.000 0.000 0.220 97 A C 1.916 179.503 177.584 0.006 0.000 1.177 97 A CA 1.945 53.988 52.037 0.010 0.000 0.636 97 A CB -1.258 17.752 19.000 0.017 0.000 0.815 97 A HN 0.546 nan 8.150 nan 0.000 0.449 98 N N 0.166 118.873 118.700 0.012 0.000 2.223 98 N HA -0.087 4.653 4.740 -0.000 0.000 0.185 98 N C 1.811 177.319 175.510 -0.003 0.000 1.016 98 N CA 1.484 54.539 53.050 0.007 0.000 0.863 98 N CB -0.505 37.993 38.487 0.018 0.000 0.983 98 N HN 0.520 nan 8.380 nan 0.000 0.429 99 A N 1.180 123.996 122.820 -0.007 0.000 1.897 99 A HA -0.078 4.241 4.320 -0.000 0.000 0.215 99 A C 2.252 179.835 177.584 -0.002 0.000 1.181 99 A CA 0.989 53.021 52.037 -0.008 0.000 0.620 99 A CB -0.420 18.561 19.000 -0.031 0.000 0.821 99 A HN 0.220 nan 8.150 nan 0.000 0.443 100 R N -0.481 120.011 120.500 -0.014 0.000 2.094 100 R HA -0.194 4.146 4.340 -0.000 0.000 0.239 100 R C 2.178 178.461 176.300 -0.029 0.000 1.137 100 R CA 2.273 58.360 56.100 -0.021 0.000 0.943 100 R CB -0.414 29.872 30.300 -0.023 0.000 0.850 100 R HN 0.552 nan 8.270 nan 0.000 0.433 101 M N -0.006 119.575 119.600 -0.031 0.000 2.065 101 M HA -0.249 4.231 4.480 -0.000 0.000 0.259 101 M C 2.614 178.888 176.300 -0.044 0.000 1.069 101 M CA 2.071 57.341 55.300 -0.050 0.000 1.110 101 M CB -0.389 32.198 32.600 -0.021 0.000 1.328 101 M HN 0.339 nan 8.290 nan 0.000 0.405 102 M N 0.084 119.674 119.600 -0.017 0.000 2.086 102 M HA -0.212 4.268 4.480 -0.000 0.000 0.261 102 M C 2.274 178.606 176.300 0.053 0.000 1.067 102 M CA 1.828 57.115 55.300 -0.021 0.000 1.116 102 M CB -0.154 32.451 32.600 0.009 0.000 1.348 102 M HN 0.107 nan 8.290 nan 0.000 0.407 103 R N 0.024 120.612 120.500 0.147 0.000 2.105 103 R HA -0.146 4.193 4.340 -0.000 0.000 0.239 103 R C 1.726 178.138 176.300 0.186 0.000 1.135 103 R CA 1.735 57.993 56.100 0.263 0.000 0.967 103 R CB -0.596 29.803 30.300 0.165 0.000 0.861 103 R HN 0.494 nan 8.270 nan 0.000 0.442 104 N N 0.629 119.353 118.700 0.040 0.000 2.216 104 N HA -0.081 4.659 4.740 -0.000 0.000 0.183 104 N C 1.789 177.303 175.510 0.006 0.000 1.017 104 N CA 0.855 53.896 53.050 -0.014 0.000 0.861 104 N CB -0.150 38.255 38.487 -0.136 0.000 0.986 104 N HN 0.170 nan 8.380 nan 0.000 0.428 105 L N 0.161 121.363 121.223 -0.035 0.000 2.093 105 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 105 L C 1.933 178.851 176.870 0.081 0.000 1.085 105 L CA 0.606 55.473 54.840 0.045 0.000 0.755 105 L CB -0.185 41.912 42.059 0.064 0.000 0.904 105 L HN -0.015 nan 8.230 nan 0.000 0.435 106 V N -0.627 119.259 119.914 -0.047 0.000 2.490 106 V HA -0.314 3.806 4.120 -0.000 0.000 0.250 106 V C 2.367 178.461 176.094 -0.000 0.000 1.061 106 V CA 1.636 63.806 62.300 -0.217 0.000 1.064 106 V CB -0.337 31.072 31.823 -0.691 0.000 0.670 106 V HN 0.426 nan 8.190 nan 0.000 0.461 107 M N 0.807 120.554 119.600 0.246 0.000 2.132 107 M HA -0.004 4.476 4.480 -0.000 0.000 0.263 107 M C 2.096 178.588 176.300 0.321 0.000 1.065 107 M CA 2.031 57.542 55.300 0.353 0.000 1.122 107 M CB -0.822 31.859 32.600 0.136 0.000 1.365 107 M HN 0.241 nan 8.290 nan 0.000 0.411 108 A N -0.997 122.017 122.820 0.322 0.000 1.883 108 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 108 A C 2.285 180.015 177.584 0.243 0.000 1.186 108 A CA 2.424 54.604 52.037 0.238 0.000 0.624 108 A CB -1.312 17.782 19.000 0.155 0.000 0.822 108 A HN 0.572 nan 8.150 nan 0.000 0.444 109 S N -0.738 115.089 115.700 0.211 0.000 2.370 109 S HA -0.234 4.236 4.470 -0.000 0.000 0.226 109 S C 2.157 176.886 174.600 0.216 0.000 1.033 109 S CA 1.757 60.064 58.200 0.178 0.000 1.011 109 S CB -0.338 62.959 63.200 0.162 0.000 0.852 109 S HN 0.702 nan 8.310 nan 0.000 0.457 110 Q N 0.316 120.263 119.800 0.244 0.000 2.084 110 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 110 Q C 1.652 177.834 176.000 0.302 0.000 0.978 110 Q CA 1.716 57.686 55.803 0.279 0.000 0.844 110 Q CB -0.617 28.322 28.738 0.335 0.000 0.898 110 Q HN 0.567 nan 8.270 nan 0.000 0.426 111 Y N 0.245 120.605 120.300 0.099 0.000 2.128 111 Y HA -0.205 4.345 4.550 -0.000 0.000 0.284 111 Y C 2.070 177.955 175.900 -0.025 0.000 1.154 111 Y CA 1.387 59.445 58.100 -0.070 0.000 1.149 111 Y CB -0.487 38.026 38.460 0.089 0.000 0.976 111 Y HN 0.123 nan 8.280 nan 0.000 0.505 112 L N -1.166 120.233 121.223 0.292 0.000 2.012 112 L HA -0.299 4.041 4.340 -0.000 0.000 0.210 112 L C 2.610 179.607 176.870 0.212 0.000 1.073 112 L CA 2.036 57.024 54.840 0.247 0.000 0.748 112 L CB -0.896 41.279 42.059 0.194 0.000 0.891 112 L HN 0.396 nan 8.230 nan 0.000 0.431 113 H N -0.003 119.144 119.070 0.127 0.000 2.299 113 H HA -0.203 4.353 4.556 -0.000 0.000 0.302 113 H C 1.883 177.282 175.328 0.118 0.000 1.078 113 H CA 2.042 58.152 56.048 0.104 0.000 1.323 113 H CB 0.087 29.900 29.762 0.084 0.000 1.381 113 H HN 0.288 nan 8.280 nan 0.000 0.498 114 D N -0.114 120.403 120.400 0.195 0.000 2.084 114 D HA -0.156 4.483 4.640 -0.000 0.000 0.194 114 D C 2.110 178.524 176.300 0.190 0.000 0.990 114 D CA 1.055 55.152 54.000 0.162 0.000 0.826 114 D CB -0.291 40.573 40.800 0.107 0.000 0.971 114 D HN 0.430 nan 8.370 nan 0.000 0.453 115 H N 0.167 119.312 119.070 0.125 0.000 2.421 115 H HA -0.001 4.555 4.556 -0.000 0.000 0.298 115 H C 2.245 177.589 175.328 0.027 0.000 1.087 115 H CA 0.401 56.535 56.048 0.143 0.000 1.330 115 H CB -0.473 29.430 29.762 0.236 0.000 1.388 115 H HN 0.203 nan 8.280 nan 0.000 0.526 116 L N -0.548 120.725 121.223 0.083 0.000 2.027 116 L HA -0.131 4.209 4.340 -0.000 0.000 0.206 116 L C 2.376 179.212 176.870 -0.058 0.000 1.074 116 L CA 0.627 55.413 54.840 -0.090 0.000 0.745 116 L CB -0.149 41.916 42.059 0.010 0.000 0.898 116 L HN 0.082 nan 8.230 nan 0.000 0.433 117 V N -0.781 119.097 119.914 -0.061 0.000 2.358 117 V HA -0.337 3.783 4.120 -0.000 0.000 0.246 117 V C 2.463 178.573 176.094 0.026 0.000 1.047 117 V CA 1.891 64.181 62.300 -0.017 0.000 1.035 117 V CB -0.800 30.996 31.823 -0.045 0.000 0.658 117 V HN 0.561 nan 8.190 nan 0.000 0.452 118 H N -0.798 118.286 119.070 0.023 0.000 2.293 118 H HA -0.232 4.324 4.556 -0.000 0.000 0.300 118 H C 2.298 177.649 175.328 0.038 0.000 1.082 118 H CA 2.472 58.551 56.048 0.052 0.000 1.308 118 H CB -0.203 29.626 29.762 0.111 0.000 1.375 118 H HN 0.426 nan 8.280 nan 0.000 0.495 119 F N 0.742 120.604 119.950 -0.146 0.000 2.102 119 F HA -0.239 4.288 4.527 -0.000 0.000 0.298 119 F C 1.929 177.506 175.800 -0.371 0.000 1.105 119 F CA 1.664 59.501 58.000 -0.272 0.000 1.239 119 F CB -0.785 37.935 39.000 -0.467 0.000 0.991 119 F HN 0.102 nan 8.300 nan 0.000 0.474 120 Y N -0.918 119.144 120.300 -0.397 0.000 2.176 120 Y HA -0.101 4.449 4.550 -0.000 0.000 0.291 120 Y C 2.501 178.148 175.900 -0.421 0.000 1.122 120 Y CA 2.103 59.895 58.100 -0.514 0.000 1.128 120 Y CB -0.677 37.384 38.460 -0.666 0.000 1.005 120 Y HN 0.124 nan 8.280 nan 0.000 0.509 121 H N -1.465 117.557 119.070 -0.079 0.000 2.562 121 H HA 0.139 4.695 4.556 -0.000 0.000 0.267 121 H C 1.531 176.815 175.328 -0.073 0.000 0.959 121 H CA 0.616 56.583 56.048 -0.134 0.000 1.204 121 H CB 0.330 29.957 29.762 -0.225 0.000 1.430 121 H HN 0.223 nan 8.280 nan 0.000 0.545 122 L N -1.383 119.773 121.223 -0.112 0.000 2.349 122 L HA 0.080 4.420 4.340 -0.000 0.000 0.200 122 L C 2.024 178.652 176.870 -0.402 0.000 1.064 122 L CA 0.673 55.356 54.840 -0.263 0.000 0.821 122 L CB -0.199 41.684 42.059 -0.293 0.000 1.027 122 L HN 0.327 nan 8.230 nan 0.000 0.476 123 H N -0.063 118.661 119.070 -0.576 0.000 2.451 123 H HA 0.109 4.665 4.556 -0.000 0.000 0.294 123 H C 2.246 177.431 175.328 -0.239 0.000 1.028 123 H CA 0.720 56.504 56.048 -0.440 0.000 1.349 123 H CB 0.602 30.119 29.762 -0.409 0.000 1.444 123 H HN 0.268 nan 8.280 nan 0.000 0.538 124 A N 1.076 123.736 122.820 -0.267 0.000 1.972 124 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 124 A C 2.235 179.805 177.584 -0.024 0.000 1.169 124 A CA 0.881 52.754 52.037 -0.274 0.000 0.635 124 A CB -0.696 18.046 19.000 -0.429 0.000 0.810 124 A HN 0.419 nan 8.150 nan 0.000 0.446 125 L N -0.252 121.004 121.223 0.056 0.000 2.353 125 L HA -0.152 4.188 4.340 -0.000 0.000 0.220 125 L C 1.175 178.165 176.870 0.200 0.000 1.133 125 L CA 0.952 55.910 54.840 0.196 0.000 0.798 125 L CB -0.573 41.659 42.059 0.289 0.000 0.922 125 L HN 0.347 nan 8.230 nan 0.000 0.445 126 D N -1.112 119.231 120.400 -0.096 0.000 2.347 126 D HA -0.126 4.514 4.640 -0.000 0.000 0.215 126 D C 1.489 177.209 176.300 -0.966 0.000 0.976 126 D CA 1.018 54.747 54.000 -0.453 0.000 0.884 126 D CB 0.039 40.394 40.800 -0.741 0.000 0.915 126 D HN 0.459 nan 8.370 nan 0.000 0.526 127 W N -0.017 120.995 121.300 -0.481 0.000 2.835 127 W HA 0.229 4.889 4.660 -0.000 0.000 0.278 127 W C 0.102 176.476 176.519 -0.242 0.000 1.075 127 W CA -0.166 56.777 57.345 -0.670 0.000 1.439 127 W CB 0.639 29.666 29.460 -0.722 0.000 0.927 127 W HN -0.359 nan 8.180 nan 0.000 0.604 128 V N 2.290 122.276 119.914 0.121 0.000 2.384 128 V HA 0.179 4.299 4.120 -0.000 0.000 0.287 128 V C -0.649 175.348 176.094 -0.161 0.000 1.020 128 V CA -0.660 61.663 62.300 0.038 0.000 0.850 128 V CB 1.504 33.301 31.823 -0.043 0.000 0.987 128 V HN -0.149 nan 8.190 nan 0.000 0.436 129 D N 4.302 124.527 120.400 -0.292 0.000 2.393 129 D HA 0.185 4.825 4.640 -0.000 0.000 0.232 129 D C 0.845 176.569 176.300 -0.960 0.000 1.192 129 D CA -0.028 53.384 54.000 -0.980 0.000 0.882 129 D CB 1.791 42.318 40.800 -0.456 0.000 1.038 129 D HN 0.215 nan 8.370 nan 0.000 0.499 130 V N 3.561 122.628 119.914 -1.411 0.000 2.407 130 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 130 V C 2.529 178.324 176.094 -0.498 0.000 1.055 130 V CA 2.452 64.289 62.300 -0.771 0.000 1.049 130 V CB -0.705 30.608 31.823 -0.850 0.000 0.662 130 V HN 0.773 nan 8.190 nan 0.000 0.455 131 T N -1.342 112.981 114.554 -0.384 0.000 2.915 131 T HA -0.080 4.270 4.350 -0.000 0.000 0.269 131 T C 1.886 176.503 174.700 -0.140 0.000 1.071 131 T CA 1.193 63.205 62.100 -0.147 0.000 1.132 131 T CB -0.422 68.461 68.868 0.025 0.000 0.878 131 T HN 0.455 nan 8.240 nan 0.000 0.479 132 A N 1.759 124.466 122.820 -0.187 0.000 2.019 132 A HA 0.341 4.661 4.320 -0.000 0.000 0.219 132 A C 2.748 180.259 177.584 -0.122 0.000 1.164 132 A CA 1.501 53.461 52.037 -0.129 0.000 0.644 132 A CB -1.256 17.666 19.000 -0.130 0.000 0.805 132 A HN 0.735 nan 8.150 nan 0.000 0.449 133 A N -0.186 122.539 122.820 -0.160 0.000 2.076 133 A HA -0.047 4.273 4.320 -0.000 0.000 0.220 133 A C 1.962 179.492 177.584 -0.091 0.000 1.160 133 A CA 1.439 53.398 52.037 -0.130 0.000 0.653 133 A CB -0.562 18.343 19.000 -0.158 0.000 0.801 133 A HN 0.517 nan 8.150 nan 0.000 0.455 134 L N -1.411 119.763 121.223 -0.082 0.000 2.376 134 L HA -0.075 4.264 4.340 -0.000 0.000 0.219 134 L C 2.020 178.866 176.870 -0.039 0.000 1.133 134 L CA 1.085 55.894 54.840 -0.051 0.000 0.816 134 L CB -0.213 41.822 42.059 -0.038 0.000 0.933 134 L HN 0.249 nan 8.230 nan 0.000 0.449 135 K N 0.531 120.905 120.400 -0.043 0.000 2.459 135 K HA 0.167 4.487 4.320 -0.000 0.000 0.193 135 K C 0.902 177.484 176.600 -0.031 0.000 1.030 135 K CA 0.097 56.365 56.287 -0.032 0.000 1.026 135 K CB 0.077 32.559 32.500 -0.030 0.000 0.809 135 K HN 0.202 nan 8.250 nan 0.000 0.504 136 A N 1.692 124.488 122.820 -0.040 0.000 2.371 136 A HA 0.064 4.384 4.320 -0.000 0.000 0.257 136 A C -0.648 176.920 177.584 -0.026 0.000 1.089 136 A CA -0.384 51.631 52.037 -0.036 0.000 0.794 136 A CB 0.289 19.261 19.000 -0.047 0.000 1.029 136 A HN 0.127 nan 8.150 nan 0.000 0.488 137 D N 2.185 122.573 120.400 -0.020 0.000 2.316 137 D HA 0.383 5.023 4.640 -0.000 0.000 0.245 137 D C -1.638 174.653 176.300 -0.015 0.000 1.171 137 D CA -1.655 52.337 54.000 -0.014 0.000 0.856 137 D CB 1.135 41.930 40.800 -0.009 0.000 1.090 137 D HN 0.130 nan 8.370 nan 0.000 0.476 138 P HA -0.134 nan 4.420 nan 0.000 0.215 138 P C 0.900 178.194 177.300 -0.010 0.000 1.157 138 P CA 0.874 63.964 63.100 -0.016 0.000 0.868 138 P CB 0.250 31.942 31.700 -0.013 0.000 0.788 139 N N -0.241 118.455 118.700 -0.006 0.000 2.137 139 N HA -0.163 4.577 4.740 -0.000 0.000 0.190 139 N C 1.498 177.006 175.510 -0.002 0.000 1.017 139 N CA 1.277 54.326 53.050 -0.003 0.000 0.859 139 N CB -0.557 37.929 38.487 -0.002 0.000 1.002 139 N HN 0.267 nan 8.380 nan 0.000 0.428 140 K N 0.272 120.670 120.400 -0.004 0.000 2.097 140 K HA 0.073 4.393 4.320 -0.000 0.000 0.205 140 K C 2.010 178.610 176.600 -0.001 0.000 1.050 140 K CA 0.978 57.264 56.287 -0.001 0.000 0.938 140 K CB -0.070 32.429 32.500 -0.002 0.000 0.718 140 K HN 0.141 nan 8.250 nan 0.000 0.442 141 A N 1.737 124.553 122.820 -0.008 0.000 1.877 141 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 141 A C 2.401 179.983 177.584 -0.004 0.000 1.186 141 A CA 1.812 53.842 52.037 -0.011 0.000 0.620 141 A CB -0.721 18.263 19.000 -0.026 0.000 0.822 141 A HN 0.312 nan 8.150 nan 0.000 0.443 142 A N -0.103 122.715 122.820 -0.003 0.000 1.859 142 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 142 A C 2.112 179.701 177.584 0.008 0.000 1.198 142 A CA 2.209 54.248 52.037 0.004 0.000 0.629 142 A CB -0.597 18.406 19.000 0.004 0.000 0.830 142 A HN 0.515 nan 8.150 nan 0.000 0.446 143 K N -0.748 119.656 120.400 0.007 0.000 2.103 143 K HA -0.084 4.236 4.320 -0.000 0.000 0.207 143 K C 1.960 178.567 176.600 0.012 0.000 1.048 143 K CA 1.382 57.674 56.287 0.008 0.000 0.930 143 K CB -0.321 32.182 32.500 0.006 0.000 0.716 143 K HN 0.567 nan 8.250 nan 0.000 0.444 144 L N 0.050 121.282 121.223 0.015 0.000 2.005 144 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 144 L C 2.279 179.166 176.870 0.028 0.000 1.072 144 L CA 1.463 56.318 54.840 0.024 0.000 0.744 144 L CB -0.388 41.688 42.059 0.029 0.000 0.895 144 L HN 0.184 nan 8.230 nan 0.000 0.433 145 A N 0.126 122.962 122.820 0.027 0.000 1.883 145 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 145 A C 2.343 179.945 177.584 0.030 0.000 1.186 145 A CA 1.830 53.889 52.037 0.037 0.000 0.624 145 A CB -1.123 17.901 19.000 0.040 0.000 0.822 145 A HN 0.584 nan 8.150 nan 0.000 0.444 146 A N -0.252 122.581 122.820 0.021 0.000 2.225 146 A HA 0.059 4.379 4.320 -0.000 0.000 0.215 146 A C 2.208 179.797 177.584 0.008 0.000 1.164 146 A CA 1.997 54.042 52.037 0.014 0.000 0.710 146 A CB -0.601 18.406 19.000 0.011 0.000 0.780 146 A HN 1.019 nan 8.150 nan 0.000 0.473 147 S N -0.950 114.756 115.700 0.009 0.000 2.506 147 S HA 0.124 4.593 4.470 -0.000 0.000 0.219 147 S C 1.432 176.032 174.600 -0.000 0.000 1.031 147 S CA 0.511 58.713 58.200 0.003 0.000 0.911 147 S CB -0.385 62.819 63.200 0.006 0.000 0.812 147 S HN 0.845 nan 8.310 nan 0.000 0.497 148 I N -0.469 120.104 120.570 0.005 0.000 4.139 148 I HA 0.697 4.866 4.170 -0.000 0.000 0.320 148 I C 0.434 176.545 176.117 -0.009 0.000 1.290 148 I CA -0.241 61.057 61.300 -0.003 0.000 1.253 148 I CB 0.572 38.575 38.000 0.004 0.000 1.122 148 I HN 0.311 nan 8.210 nan 0.000 0.421 149 A N 0.982 123.802 122.820 0.001 0.000 2.387 149 A HA 0.905 5.225 4.320 -0.000 0.000 0.303 149 A C -2.656 174.919 177.584 -0.015 0.000 1.145 149 A CA -1.606 50.425 52.037 -0.009 0.000 0.801 149 A CB -0.122 18.886 19.000 0.014 0.000 1.342 149 A HN 0.091 nan 8.150 nan 0.000 0.440 150 P HA 0.345 nan 4.420 nan 0.000 0.268 150 P C -0.187 177.103 177.300 -0.016 0.000 1.204 150 P CA 0.224 63.305 63.100 -0.032 0.000 0.768 150 P CB 0.499 32.168 31.700 -0.051 0.000 0.842 151 A N 4.542 127.356 122.820 -0.011 0.000 2.546 151 A HA 0.343 4.663 4.320 -0.000 0.000 0.243 151 A C 0.586 178.172 177.584 0.002 0.000 1.063 151 A CA 0.263 52.300 52.037 -0.001 0.000 0.757 151 A CB -0.343 18.656 19.000 -0.002 0.000 0.991 151 A HN 0.709 nan 8.150 nan 0.000 0.503 152 R N 2.023 122.532 120.500 0.015 0.000 2.634 152 R HA 0.449 4.789 4.340 -0.000 0.000 0.263 152 R C -2.906 173.414 176.300 0.033 0.000 1.060 152 R CA -1.420 54.693 56.100 0.022 0.000 0.898 152 R CB 0.732 31.045 30.300 0.022 0.000 1.253 152 R HN 0.337 nan 8.270 nan 0.000 0.461 153 P HA -0.046 nan 4.420 nan 0.000 0.223 153 P C 1.198 178.524 177.300 0.043 0.000 1.151 153 P CA 1.466 64.585 63.100 0.032 0.000 0.787 153 P CB -0.007 31.709 31.700 0.026 0.000 0.788 154 G N 0.062 108.899 108.800 0.062 0.000 2.559 154 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.216 154 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.216 154 G C 1.198 176.155 174.900 0.094 0.000 1.126 154 G CA 0.252 45.404 45.100 0.086 0.000 0.778 154 G HN 0.244 nan 8.290 nan 0.000 0.543 155 N N 0.219 118.969 118.700 0.083 0.000 2.203 155 N HA 0.098 4.838 4.740 -0.000 0.000 0.207 155 N C 0.936 176.466 175.510 0.034 0.000 1.130 155 N CA 0.086 53.178 53.050 0.069 0.000 0.861 155 N CB 0.723 39.265 38.487 0.091 0.000 1.005 155 N HN 0.339 nan 8.380 nan 0.000 0.507 156 S N -0.591 115.126 115.700 0.028 0.000 2.600 156 S HA 0.476 4.946 4.470 -0.000 0.000 0.265 156 S C 1.615 176.220 174.600 0.010 0.000 1.325 156 S CA -0.167 58.044 58.200 0.017 0.000 1.002 156 S CB 1.535 64.744 63.200 0.016 0.000 0.921 156 S HN 0.157 nan 8.310 nan 0.000 0.554 157 A N 1.728 124.552 122.820 0.006 0.000 1.883 157 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 157 A C 2.166 179.751 177.584 0.002 0.000 1.186 157 A CA 2.019 54.057 52.037 0.002 0.000 0.624 157 A CB -1.119 17.882 19.000 0.001 0.000 0.822 157 A HN 1.009 nan 8.150 nan 0.000 0.444 158 K N -0.240 120.163 120.400 0.004 0.000 2.063 158 K HA -0.128 4.192 4.320 -0.000 0.000 0.208 158 K C 2.080 178.683 176.600 0.005 0.000 1.048 158 K CA 1.530 57.820 56.287 0.005 0.000 0.928 158 K CB -0.393 32.112 32.500 0.007 0.000 0.713 158 K HN 0.344 nan 8.250 nan 0.000 0.442 159 A N 1.307 124.132 122.820 0.008 0.000 1.898 159 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 159 A C 2.146 179.730 177.584 0.000 0.000 1.181 159 A CA 1.263 53.305 52.037 0.009 0.000 0.620 159 A CB -0.510 18.502 19.000 0.020 0.000 0.819 159 A HN 0.344 nan 8.150 nan 0.000 0.442 160 L N -0.770 120.450 121.223 -0.005 0.000 2.156 160 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 160 L C 2.563 179.422 176.870 -0.018 0.000 1.095 160 L CA 1.700 56.529 54.840 -0.019 0.000 0.770 160 L CB -0.335 41.709 42.059 -0.025 0.000 0.914 160 L HN 0.528 nan 8.230 nan 0.000 0.439 161 K N 0.834 121.228 120.400 -0.010 0.000 2.097 161 K HA -0.116 4.204 4.320 -0.000 0.000 0.205 161 K C 2.120 178.717 176.600 -0.005 0.000 1.050 161 K CA 1.272 57.555 56.287 -0.008 0.000 0.938 161 K CB -0.083 32.414 32.500 -0.003 0.000 0.718 161 K HN 0.175 nan 8.250 nan 0.000 0.442 162 A N 0.737 123.556 122.820 -0.002 0.000 1.902 162 A HA -0.078 4.241 4.320 -0.000 0.000 0.217 162 A C 2.268 179.851 177.584 -0.002 0.000 1.181 162 A CA 1.590 53.627 52.037 0.001 0.000 0.623 162 A CB -0.694 18.308 19.000 0.004 0.000 0.818 162 A HN 0.167 nan 8.150 nan 0.000 0.443 163 V N 0.021 119.930 119.914 -0.009 0.000 2.295 163 V HA -0.318 3.802 4.120 -0.000 0.000 0.246 163 V C 2.756 178.838 176.094 -0.020 0.000 1.049 163 V CA 2.372 64.662 62.300 -0.016 0.000 1.024 163 V CB -0.736 31.072 31.823 -0.025 0.000 0.648 163 V HN 0.792 nan 8.190 nan 0.000 0.447 164 Q N -0.445 119.341 119.800 -0.023 0.000 2.124 164 Q HA -0.256 4.084 4.340 -0.000 0.000 0.202 164 Q C 1.888 177.884 176.000 -0.006 0.000 0.977 164 Q CA 1.973 57.761 55.803 -0.025 0.000 0.850 164 Q CB -0.127 28.595 28.738 -0.028 0.000 0.901 164 Q HN 0.622 nan 8.270 nan 0.000 0.429 165 D N 0.362 120.763 120.400 0.001 0.000 2.178 165 D HA -0.128 4.512 4.640 -0.000 0.000 0.201 165 D C 1.611 177.929 176.300 0.030 0.000 0.980 165 D CA 1.147 55.156 54.000 0.014 0.000 0.842 165 D CB 0.046 40.854 40.800 0.013 0.000 0.948 165 D HN 0.282 nan 8.370 nan 0.000 0.472 166 K N -0.062 120.354 120.400 0.026 0.000 2.031 166 K HA -0.062 4.258 4.320 -0.000 0.000 0.205 166 K C 2.023 178.667 176.600 0.073 0.000 1.049 166 K CA 0.293 56.607 56.287 0.046 0.000 0.939 166 K CB -0.170 32.345 32.500 0.025 0.000 0.717 166 K HN 0.003 nan 8.250 nan 0.000 0.438 167 L N 2.094 123.338 121.223 0.035 0.000 2.046 167 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 167 L C 2.196 179.130 176.870 0.106 0.000 1.077 167 L CA 1.803 56.671 54.840 0.047 0.000 0.747 167 L CB -0.309 41.727 42.059 -0.038 0.000 0.896 167 L HN 0.043 nan 8.230 nan 0.000 0.432 168 K N -0.812 119.624 120.400 0.060 0.000 2.009 168 K HA -0.198 4.122 4.320 -0.000 0.000 0.210 168 K C 2.021 178.669 176.600 0.079 0.000 1.049 168 K CA 1.469 57.789 56.287 0.055 0.000 0.929 168 K CB -0.298 32.219 32.500 0.027 0.000 0.714 168 K HN 0.443 nan 8.250 nan 0.000 0.440 169 A N 0.714 123.587 122.820 0.089 0.000 1.908 169 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 169 A C 2.017 179.675 177.584 0.123 0.000 1.181 169 A CA 1.519 53.609 52.037 0.089 0.000 0.627 169 A CB -0.845 18.207 19.000 0.086 0.000 0.818 169 A HN 0.527 nan 8.150 nan 0.000 0.445 170 F N 0.653 120.621 119.950 0.030 0.000 2.075 170 F HA -0.165 4.362 4.527 -0.000 0.000 0.297 170 F C 2.282 178.111 175.800 0.049 0.000 1.113 170 F CA 2.088 60.117 58.000 0.049 0.000 1.218 170 F CB -0.356 38.689 39.000 0.075 0.000 0.984 170 F HN 0.029 nan 8.300 nan 0.000 0.472 171 V N 0.528 120.546 119.914 0.172 0.000 2.343 171 V HA -0.300 3.820 4.120 -0.000 0.000 0.247 171 V C 2.023 178.099 176.094 -0.029 0.000 1.051 171 V CA 2.335 64.666 62.300 0.053 0.000 1.036 171 V CB -0.714 31.164 31.823 0.090 0.000 0.654 171 V HN 0.368 nan 8.190 nan 0.000 0.451 172 E N 0.271 120.467 120.200 -0.006 0.000 2.482 172 E HA -0.092 4.258 4.350 -0.000 0.000 0.196 172 E C 2.181 178.755 176.600 -0.043 0.000 1.047 172 E CA 0.942 57.332 56.400 -0.017 0.000 0.869 172 E CB -0.077 29.624 29.700 0.002 0.000 0.836 172 E HN 0.745 nan 8.360 nan 0.000 0.520 173 S N -0.583 115.067 115.700 -0.084 0.000 2.461 173 S HA 0.041 4.510 4.470 -0.000 0.000 0.228 173 S C 1.800 176.329 174.600 -0.118 0.000 1.005 173 S CA 0.746 58.884 58.200 -0.104 0.000 0.942 173 S CB 0.160 63.270 63.200 -0.150 0.000 0.776 173 S HN 0.350 nan 8.310 nan 0.000 0.514 174 G N 0.502 109.220 108.800 -0.136 0.000 2.199 174 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.254 174 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.254 174 G C -0.081 174.733 174.900 -0.142 0.000 0.982 174 G CA 0.224 45.260 45.100 -0.108 0.000 0.632 174 G HN 0.632 nan 8.290 nan 0.000 0.529 175 Q N 0.158 119.815 119.800 -0.239 0.000 2.466 175 Q HA 0.633 4.973 4.340 -0.000 0.000 0.242 175 Q C 1.332 177.064 176.000 -0.447 0.000 1.046 175 Q CA -0.558 55.093 55.803 -0.253 0.000 0.841 175 Q CB 1.112 29.730 28.738 -0.199 0.000 1.193 175 Q HN 0.375 nan 8.270 nan 0.000 0.508 176 L N 1.206 122.301 121.223 -0.214 0.000 2.395 176 L HA 0.000 4.340 4.340 -0.000 0.000 0.218 176 L C 1.335 178.331 176.870 0.211 0.000 1.130 176 L CA 0.799 55.618 54.840 -0.034 0.000 0.826 176 L CB -0.457 41.673 42.059 0.118 0.000 0.941 176 L HN 0.989 nan 8.230 nan 0.000 0.451 177 G N 2.061 110.910 108.800 0.082 0.000 2.629 177 G HA2 -0.450 3.510 3.960 -0.000 0.000 0.313 177 G HA3 -0.450 3.510 3.960 -0.000 0.000 0.313 177 G C 0.829 175.749 174.900 0.033 0.000 1.217 177 G CA 0.702 45.871 45.100 0.116 0.000 0.994 177 G HN 0.460 nan 8.290 nan 0.000 0.549 178 I N -1.948 118.566 120.570 -0.093 0.000 2.756 178 I HA 0.237 4.407 4.170 -0.000 0.000 0.262 178 I C 2.167 178.089 176.117 -0.326 0.000 1.225 178 I CA 1.771 62.911 61.300 -0.268 0.000 1.472 178 I CB -0.336 37.432 38.000 -0.387 0.000 1.094 178 I HN 0.187 nan 8.210 nan 0.000 0.454 179 F N 1.543 121.556 119.950 0.106 0.000 2.797 179 F HA 0.198 4.725 4.527 0.000 0.000 0.302 179 F C 1.213 176.991 175.800 -0.036 0.000 1.130 179 F CA -0.277 57.749 58.000 0.044 0.000 1.387 179 F CB -1.210 37.882 39.000 0.154 0.000 1.107 179 F HN -0.128 nan 8.300 nan 0.000 0.577 180 T N 2.390 116.999 114.554 0.092 0.000 2.905 180 T HA -0.085 4.265 4.350 -0.000 0.000 0.299 180 T C 0.707 175.395 174.700 -0.019 0.000 1.024 180 T CA 0.213 62.332 62.100 0.031 0.000 1.151 180 T CB -0.082 68.794 68.868 0.012 0.000 0.987 180 T HN 0.288 nan 8.240 nan 0.000 0.535 181 N N -0.345 118.340 118.700 -0.024 0.000 2.693 181 N HA -0.184 4.556 4.740 -0.000 0.000 0.249 181 N C 0.243 175.698 175.510 -0.092 0.000 1.119 181 N CA 0.867 53.898 53.050 -0.031 0.000 0.717 181 N CB -1.570 36.916 38.487 -0.001 0.000 1.071 181 N HN 0.938 nan 8.380 nan 0.000 0.555 182 A N -0.367 122.323 122.820 -0.218 0.000 2.520 182 A HA 0.125 4.444 4.320 -0.000 0.000 0.235 182 A C 1.153 178.530 177.584 -0.345 0.000 1.065 182 A CA 0.125 51.873 52.037 -0.482 0.000 0.764 182 A CB 0.126 18.503 19.000 -1.038 0.000 1.002 182 A HN 0.231 nan 8.150 nan 0.000 0.502 183 Y N 1.231 121.299 120.300 -0.387 0.000 2.421 183 Y HA -0.137 4.413 4.550 -0.000 0.000 0.292 183 Y C 1.700 177.479 175.900 -0.200 0.000 1.136 183 Y CA 1.581 59.587 58.100 -0.157 0.000 1.255 183 Y CB -0.793 37.671 38.460 0.007 0.000 0.991 183 Y HN 0.800 nan 8.280 nan 0.000 0.552 184 F N -1.731 118.127 119.950 -0.153 0.000 2.765 184 F HA 0.261 4.788 4.527 -0.000 0.000 0.302 184 F C 0.352 176.040 175.800 -0.187 0.000 1.111 184 F CA -0.899 56.828 58.000 -0.455 0.000 1.359 184 F CB -1.295 37.140 39.000 -0.941 0.000 1.097 184 F HN -0.298 nan 8.300 nan 0.000 0.577 185 L N 2.245 123.415 121.223 -0.088 0.000 2.513 185 L HA 0.295 4.635 4.340 -0.000 0.000 0.272 185 L C 1.449 178.339 176.870 0.034 0.000 1.187 185 L CA 0.823 55.672 54.840 0.015 0.000 0.895 185 L CB -0.008 42.019 42.059 -0.052 0.000 1.147 185 L HN 0.647 nan 8.230 nan 0.000 0.483 186 G N 2.146 110.975 108.800 0.048 0.000 2.159 186 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.256 186 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.256 186 G C 0.543 175.467 174.900 0.040 0.000 0.977 186 G CA 0.096 45.216 45.100 0.032 0.000 0.652 186 G HN 1.483 nan 8.290 nan 0.000 0.531 187 G N -1.259 107.578 108.800 0.061 0.000 2.692 187 G HA2 0.398 4.358 3.960 -0.000 0.000 0.686 187 G HA3 0.398 4.358 3.960 -0.000 0.000 0.686 187 G C -0.882 174.098 174.900 0.134 0.000 1.243 187 G CA 0.404 45.554 45.100 0.082 0.000 0.782 187 G HN 2.054 nan 8.290 nan 0.000 0.625 188 H N 1.539 120.656 119.070 0.078 0.000 3.042 188 H HA 0.343 4.898 4.556 -0.000 0.000 0.345 188 H C 1.126 176.604 175.328 0.251 0.000 1.052 188 H CA -0.588 55.546 56.048 0.144 0.000 1.311 188 H CB 1.461 31.313 29.762 0.149 0.000 1.810 188 H HN 0.571 nan 8.280 nan 0.000 0.505 189 K N 2.580 123.200 120.400 0.367 0.000 2.160 189 K HA -0.104 4.216 4.320 -0.000 0.000 0.206 189 K C 1.645 178.598 176.600 0.589 0.000 1.047 189 K CA 1.594 58.115 56.287 0.389 0.000 0.930 189 K CB 0.156 32.796 32.500 0.233 0.000 0.720 189 K HN 0.528 nan 8.250 nan 0.000 0.450 190 A N 0.015 123.285 122.820 0.749 0.000 2.209 190 A HA -0.057 4.263 4.320 -0.000 0.000 0.212 190 A C -0.066 177.586 177.584 0.115 0.000 1.158 190 A CA 0.516 52.804 52.037 0.418 0.000 0.742 190 A CB -0.127 19.005 19.000 0.220 0.000 0.790 190 A HN 0.162 nan 8.150 nan 0.000 0.472 191 Y N -0.458 119.963 120.300 0.203 0.000 2.404 191 Y HA 0.371 4.921 4.550 -0.000 0.000 0.344 191 Y C 0.435 176.499 175.900 0.273 0.000 0.970 191 Y CA -0.584 57.608 58.100 0.155 0.000 1.180 191 Y CB 0.563 39.098 38.460 0.125 0.000 1.138 191 Y HN 0.287 nan 8.280 nan 0.000 0.510 192 Y N 1.132 121.532 120.300 0.167 0.000 2.497 192 Y HA 0.193 4.743 4.550 -0.000 0.000 0.265 192 Y C 0.648 176.414 175.900 -0.224 0.000 1.111 192 Y CA -0.636 57.406 58.100 -0.097 0.000 1.288 192 Y CB -0.297 37.933 38.460 -0.384 0.000 1.082 192 Y HN 0.322 nan 8.280 nan 0.000 0.536 193 L N 3.802 124.982 121.223 -0.071 0.000 2.426 193 L HA 0.187 4.527 4.340 -0.000 0.000 0.271 193 L C -1.940 174.758 176.870 -0.287 0.000 1.169 193 L CA -1.877 52.733 54.840 -0.383 0.000 0.836 193 L CB 0.111 42.041 42.059 -0.214 0.000 1.112 193 L HN -0.112 nan 8.230 nan 0.000 0.465 194 P HA 0.126 nan 4.420 nan 0.000 0.272 194 P C -2.273 174.938 177.300 -0.150 0.000 1.223 194 P CA -1.507 61.467 63.100 -0.210 0.000 0.784 194 P CB 0.130 31.718 31.700 -0.187 0.000 0.923 195 P HA -0.173 nan 4.420 nan 0.000 0.218 195 P C 1.168 178.419 177.300 -0.082 0.000 1.148 195 P CA 1.516 64.565 63.100 -0.086 0.000 0.822 195 P CB 0.042 31.705 31.700 -0.062 0.000 0.784 196 E N -0.980 119.180 120.200 -0.067 0.000 2.150 196 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 196 E C 1.919 178.486 176.600 -0.054 0.000 0.985 196 E CA 0.785 57.155 56.400 -0.049 0.000 0.814 196 E CB -1.013 28.673 29.700 -0.024 0.000 0.752 196 E HN 0.081 nan 8.360 nan 0.000 0.466 197 V N 1.323 121.194 119.914 -0.072 0.000 2.407 197 V HA -0.170 3.950 4.120 -0.000 0.000 0.245 197 V C 1.696 177.752 176.094 -0.064 0.000 1.041 197 V CA 1.253 63.520 62.300 -0.055 0.000 1.040 197 V CB -0.461 31.306 31.823 -0.093 0.000 0.671 197 V HN 0.268 nan 8.190 nan 0.000 0.455 198 N N 0.595 119.238 118.700 -0.095 0.000 2.061 198 N HA -0.199 4.541 4.740 -0.000 0.000 0.193 198 N C 1.754 177.194 175.510 -0.116 0.000 1.030 198 N CA 1.643 54.625 53.050 -0.112 0.000 0.856 198 N CB -0.531 37.865 38.487 -0.151 0.000 1.023 198 N HN 0.386 nan 8.380 nan 0.000 0.424 199 L N 1.424 122.582 121.223 -0.107 0.000 2.046 199 L HA -0.028 4.312 4.340 -0.000 0.000 0.208 199 L C 1.997 178.795 176.870 -0.120 0.000 1.077 199 L CA 1.265 56.042 54.840 -0.105 0.000 0.747 199 L CB -0.531 41.478 42.059 -0.084 0.000 0.896 199 L HN 0.109 nan 8.230 nan 0.000 0.432 200 I N -0.382 120.111 120.570 -0.128 0.000 2.163 200 I HA -0.256 3.914 4.170 -0.000 0.000 0.240 200 I C 2.642 178.572 176.117 -0.313 0.000 1.081 200 I CA 1.174 62.331 61.300 -0.237 0.000 1.353 200 I CB -0.887 37.018 38.000 -0.157 0.000 1.054 200 I HN 0.326 nan 8.210 nan 0.000 0.407 201 A N 0.486 123.257 122.820 -0.081 0.000 1.948 201 A HA -0.229 4.091 4.320 -0.000 0.000 0.220 201 A C 2.397 180.060 177.584 0.133 0.000 1.177 201 A CA 2.636 54.738 52.037 0.109 0.000 0.636 201 A CB -1.144 17.925 19.000 0.116 0.000 0.815 201 A HN 0.422 nan 8.150 nan 0.000 0.449 202 T N -0.011 114.540 114.554 -0.004 0.000 2.737 202 T HA 0.053 4.402 4.350 -0.000 0.000 0.265 202 T C 2.282 177.011 174.700 0.047 0.000 1.038 202 T CA 1.466 63.560 62.100 -0.011 0.000 1.144 202 T CB -0.502 68.287 68.868 -0.132 0.000 0.866 202 T HN 0.625 nan 8.240 nan 0.000 0.434 203 A N 1.287 124.083 122.820 -0.039 0.000 1.927 203 A HA -0.252 4.067 4.320 -0.000 0.000 0.220 203 A C 1.905 179.551 177.584 0.103 0.000 1.185 203 A CA 2.115 54.142 52.037 -0.017 0.000 0.639 203 A CB -1.032 17.909 19.000 -0.098 0.000 0.820 203 A HN 0.744 nan 8.150 nan 0.000 0.451 204 H N -3.719 115.426 119.070 0.125 0.000 2.395 204 H HA -0.101 4.455 4.556 -0.000 0.000 0.299 204 H C 2.021 177.298 175.328 -0.085 0.000 1.070 204 H CA 1.273 57.365 56.048 0.073 0.000 1.356 204 H CB -0.187 29.643 29.762 0.113 0.000 1.401 204 H HN 0.665 nan 8.280 nan 0.000 0.524 205 Y N 1.913 122.244 120.300 0.052 0.000 2.114 205 Y HA -0.273 4.277 4.550 -0.000 0.000 0.282 205 Y C 2.052 178.024 175.900 0.120 0.000 1.165 205 Y CA 1.452 59.598 58.100 0.077 0.000 1.148 205 Y CB -0.546 38.050 38.460 0.227 0.000 0.972 205 Y HN 0.072 nan 8.280 nan 0.000 0.504 206 L N -0.133 121.310 121.223 0.367 0.000 2.093 206 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 206 L C 2.436 179.288 176.870 -0.030 0.000 1.085 206 L CA 1.662 56.606 54.840 0.174 0.000 0.755 206 L CB -0.597 41.524 42.059 0.103 0.000 0.904 206 L HN 0.269 nan 8.230 nan 0.000 0.435 207 E N 0.321 120.509 120.200 -0.019 0.000 2.072 207 E HA -0.196 4.154 4.350 -0.000 0.000 0.191 207 E C 2.336 178.754 176.600 -0.303 0.000 0.985 207 E CA 1.083 57.412 56.400 -0.119 0.000 0.801 207 E CB -0.128 29.662 29.700 0.151 0.000 0.750 207 E HN 0.486 nan 8.360 nan 0.000 0.452 208 A N 1.179 123.830 122.820 -0.282 0.000 1.978 208 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 208 A C 2.150 179.676 177.584 -0.097 0.000 1.170 208 A CA 0.955 52.748 52.037 -0.407 0.000 0.636 208 A CB -0.560 18.133 19.000 -0.511 0.000 0.810 208 A HN 0.147 nan 8.150 nan 0.000 0.448 209 L N -1.584 119.637 121.223 -0.005 0.000 2.083 209 L HA -0.204 4.135 4.340 -0.000 0.000 0.209 209 L C 2.545 179.435 176.870 0.034 0.000 1.083 209 L CA 1.510 56.305 54.840 -0.076 0.000 0.752 209 L CB -0.645 41.353 42.059 -0.100 0.000 0.899 209 L HN 0.561 nan 8.230 nan 0.000 0.433 210 H N -1.694 117.278 119.070 -0.164 0.000 2.403 210 H HA -0.135 4.420 4.556 -0.000 0.000 0.298 210 H C 2.165 177.380 175.328 -0.188 0.000 1.059 210 H CA 1.099 57.058 56.048 -0.148 0.000 1.363 210 H CB 0.242 29.929 29.762 -0.127 0.000 1.410 210 H HN 0.213 nan 8.280 nan 0.000 0.528 211 M N 1.819 121.305 119.600 -0.192 0.000 2.229 211 M HA -0.150 4.329 4.480 -0.000 0.000 0.264 211 M C 2.241 178.447 176.300 -0.156 0.000 1.063 211 M CA 1.427 56.547 55.300 -0.300 0.000 1.114 211 M CB 0.009 32.147 32.600 -0.770 0.000 1.387 211 M HN 0.209 nan 8.290 nan 0.000 0.420 212 Q N -1.187 118.547 119.800 -0.109 0.000 2.167 212 Q HA -0.057 4.282 4.340 -0.000 0.000 0.202 212 Q C 1.618 177.695 176.000 0.128 0.000 0.970 212 Q CA 1.971 57.767 55.803 -0.011 0.000 0.855 212 Q CB -1.470 27.213 28.738 -0.092 0.000 0.911 212 Q HN 0.371 nan 8.270 nan 0.000 0.438 213 V N 1.227 121.160 119.914 0.033 0.000 2.287 213 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 213 V C 2.238 178.340 176.094 0.012 0.000 1.053 213 V CA 2.363 64.670 62.300 0.012 0.000 1.027 213 V CB -0.588 31.200 31.823 -0.059 0.000 0.646 213 V HN 0.409 nan 8.190 nan 0.000 0.447 214 K N 0.056 120.451 120.400 -0.008 0.000 2.057 214 K HA -0.094 4.226 4.320 -0.000 0.000 0.207 214 K C 2.313 178.923 176.600 0.017 0.000 1.049 214 K CA 1.367 57.648 56.287 -0.009 0.000 0.931 214 K CB -0.442 32.040 32.500 -0.030 0.000 0.714 214 K HN 0.472 nan 8.250 nan 0.000 0.440 215 A N 1.456 124.308 122.820 0.054 0.000 1.978 215 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 215 A C 2.313 179.961 177.584 0.105 0.000 1.170 215 A CA 1.951 54.051 52.037 0.104 0.000 0.636 215 A CB -0.596 18.512 19.000 0.180 0.000 0.810 215 A HN 0.353 nan 8.150 nan 0.000 0.448 216 A N -1.127 121.750 122.820 0.094 0.000 1.929 216 A HA 0.043 4.363 4.320 -0.000 0.000 0.216 216 A C 2.404 179.967 177.584 -0.035 0.000 1.176 216 A CA 1.718 53.724 52.037 -0.053 0.000 0.628 216 A CB -0.645 18.288 19.000 -0.112 0.000 0.816 216 A HN 0.418 nan 8.150 nan 0.000 0.444 217 S N -0.140 115.555 115.700 -0.008 0.000 2.368 217 S HA -0.014 4.456 4.470 -0.000 0.000 0.224 217 S C 2.319 176.933 174.600 0.024 0.000 1.029 217 S CA 1.099 59.296 58.200 -0.005 0.000 0.988 217 S CB -0.381 62.816 63.200 -0.005 0.000 0.838 217 S HN 0.765 nan 8.310 nan 0.000 0.462 218 A N 1.495 124.344 122.820 0.048 0.000 1.877 218 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 218 A C 2.135 179.855 177.584 0.226 0.000 1.186 218 A CA 1.844 53.965 52.037 0.139 0.000 0.620 218 A CB -0.691 18.307 19.000 -0.004 0.000 0.822 218 A HN 0.532 nan 8.150 nan 0.000 0.443 219 M N -0.289 119.375 119.600 0.105 0.000 2.108 219 M HA -0.161 4.318 4.480 -0.000 0.000 0.261 219 M C 2.190 178.423 176.300 -0.111 0.000 1.066 219 M CA 1.833 57.142 55.300 0.016 0.000 1.107 219 M CB -0.223 32.352 32.600 -0.042 0.000 1.356 219 M HN 0.413 nan 8.290 nan 0.000 0.406 220 A N 0.376 123.148 122.820 -0.080 0.000 2.019 220 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 220 A C 1.955 179.463 177.584 -0.127 0.000 1.164 220 A CA 1.403 53.377 52.037 -0.105 0.000 0.644 220 A CB -1.058 17.905 19.000 -0.061 0.000 0.805 220 A HN 0.648 nan 8.150 nan 0.000 0.449 221 I N -0.565 119.950 120.570 -0.092 0.000 2.248 221 I HA -0.293 3.876 4.170 -0.000 0.000 0.248 221 I C 2.187 178.151 176.117 -0.254 0.000 1.107 221 I CA 1.371 62.601 61.300 -0.118 0.000 1.373 221 I CB -0.219 37.760 38.000 -0.036 0.000 1.055 221 I HN 0.331 nan 8.210 nan 0.000 0.418 222 L N -0.720 120.257 121.223 -0.410 0.000 2.253 222 L HA 0.134 4.474 4.340 -0.000 0.000 0.205 222 L C 2.396 178.750 176.870 -0.859 0.000 1.078 222 L CA 0.884 55.357 54.840 -0.613 0.000 0.805 222 L CB -0.634 40.962 42.059 -0.771 0.000 0.963 222 L HN 0.212 nan 8.230 nan 0.000 0.459 223 G N -1.276 107.071 108.800 -0.756 0.000 2.939 223 G HA2 0.306 4.266 3.960 -0.000 0.000 0.210 223 G HA3 0.306 4.266 3.960 -0.000 0.000 0.210 223 G C 1.293 176.103 174.900 -0.149 0.000 1.160 223 G CA 0.674 45.316 45.100 -0.765 0.000 0.770 223 G HN 0.473 nan 8.290 nan 0.000 0.543 224 G N 0.125 108.840 108.800 -0.141 0.000 2.420 224 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.221 224 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.221 224 G C 0.366 175.260 174.900 -0.010 0.000 1.117 224 G CA 0.805 45.891 45.100 -0.024 0.000 0.657 224 G HN 1.236 nan 8.290 nan 0.000 0.512 225 K N -0.701 119.698 120.400 -0.001 0.000 2.615 225 K HA 0.619 4.939 4.320 -0.000 0.000 0.291 225 K C -1.845 174.752 176.600 -0.005 0.000 1.017 225 K CA -0.807 55.480 56.287 -0.001 0.000 0.882 225 K CB 1.570 34.084 32.500 0.022 0.000 1.522 225 K HN 0.459 nan 8.250 nan 0.000 0.412 226 N N 1.362 120.045 118.700 -0.029 0.000 2.493 226 N HA 0.367 5.107 4.740 -0.000 0.000 0.279 226 N C -2.952 172.510 175.510 -0.079 0.000 1.082 226 N CA -0.862 52.155 53.050 -0.055 0.000 0.963 226 N CB 2.025 40.448 38.487 -0.107 0.000 1.627 226 N HN 0.588 nan 8.380 nan 0.000 0.499 227 P HA 0.386 nan 4.420 nan 0.000 0.274 227 P C -1.156 176.130 177.300 -0.023 0.000 1.246 227 P CA 0.450 63.469 63.100 -0.135 0.000 0.795 227 P CB 0.226 31.747 31.700 -0.298 0.000 1.006 228 H N -1.773 117.339 119.070 0.070 0.000 3.286 228 H HA -0.093 4.463 4.556 -0.000 0.000 0.358 228 H C 0.023 175.424 175.328 0.121 0.000 1.143 228 H CA 0.233 56.342 56.048 0.101 0.000 1.147 228 H CB -2.236 27.569 29.762 0.072 0.000 1.568 228 H HN 0.575 nan 8.280 nan 0.000 0.401 229 T N -1.021 113.718 114.554 0.307 0.000 2.795 229 T HA 0.299 4.649 4.350 -0.000 0.000 0.314 229 T C 0.763 175.640 174.700 0.294 0.000 1.069 229 T CA -0.263 62.017 62.100 0.300 0.000 1.071 229 T CB 1.890 71.021 68.868 0.438 0.000 0.988 229 T HN 0.598 nan 8.240 nan 0.000 0.543 230 Q N 0.807 120.796 119.800 0.315 0.000 3.449 230 Q HA 0.360 4.700 4.340 -0.000 0.000 0.272 230 Q C -0.754 175.401 176.000 0.259 0.000 0.787 230 Q CA -0.490 55.451 55.803 0.229 0.000 0.904 230 Q CB 0.153 28.982 28.738 0.152 0.000 1.536 230 Q HN 0.878 nan 8.270 nan 0.000 0.387 231 F N -2.394 117.582 119.950 0.043 0.000 2.925 231 F HA 0.379 4.906 4.527 -0.000 0.000 0.355 231 F C 0.196 175.996 175.800 -0.001 0.000 1.073 231 F CA -0.295 57.704 58.000 -0.002 0.000 1.127 231 F CB 0.431 39.399 39.000 -0.052 0.000 1.123 231 F HN -0.017 nan 8.300 nan 0.000 0.551 232 T N 1.546 115.685 114.554 -0.691 0.000 2.928 232 T HA 0.721 5.070 4.350 -0.000 0.000 0.284 232 T C -0.286 174.266 174.700 -0.247 0.000 1.008 232 T CA -0.095 61.655 62.100 -0.583 0.000 1.057 232 T CB 2.064 70.573 68.868 -0.599 0.000 1.018 232 T HN 0.649 nan 8.240 nan 0.000 0.493 233 V N -1.308 118.489 119.914 -0.194 0.000 3.188 233 V HA 0.698 4.818 4.120 -0.000 0.000 0.305 233 V C -0.266 175.732 176.094 -0.161 0.000 1.232 233 V CA -1.419 60.822 62.300 -0.098 0.000 1.043 233 V CB 1.437 33.261 31.823 0.000 0.000 1.068 233 V HN 0.817 nan 8.190 nan 0.000 0.439 234 V N 2.678 122.477 119.914 -0.192 0.000 2.540 234 V HA 0.488 4.608 4.120 -0.000 0.000 0.297 234 V C 1.679 177.535 176.094 -0.397 0.000 1.024 234 V CA 1.834 63.855 62.300 -0.464 0.000 1.105 234 V CB -0.140 31.127 31.823 -0.927 0.000 0.938 234 V HN 2.044 nan 8.190 nan 0.000 0.482 235 G N 2.934 111.524 108.800 -0.348 0.000 2.194 235 G HA2 0.119 4.079 3.960 -0.000 0.000 0.236 235 G HA3 0.119 4.079 3.960 -0.000 0.000 0.236 235 G C 0.629 175.484 174.900 -0.074 0.000 0.987 235 G CA 0.020 45.027 45.100 -0.156 0.000 0.635 235 G HN 1.900 nan 8.290 nan 0.000 0.520 236 G N -1.787 106.946 108.800 -0.111 0.000 2.451 236 G HA2 0.436 4.396 3.960 -0.000 0.000 0.083 236 G HA3 0.436 4.396 3.960 -0.000 0.000 0.083 236 G C -0.602 174.216 174.900 -0.138 0.000 1.107 236 G CA 0.581 45.621 45.100 -0.100 0.000 1.117 236 G HN 1.435 nan 8.290 nan 0.000 0.454 237 C N -0.033 119.190 119.300 -0.127 0.000 2.994 237 C HA 0.747 5.207 4.460 -0.000 0.000 0.304 237 C C 1.510 176.391 174.990 -0.181 0.000 1.273 237 C CA 0.259 59.194 59.018 -0.139 0.000 1.537 237 C CB 1.444 29.179 27.740 -0.007 0.000 2.001 237 C HN 1.247 nan 8.230 nan 0.000 0.471 238 S N -0.170 115.456 115.700 -0.122 0.000 2.517 238 S HA -0.004 4.466 4.470 -0.000 0.000 0.214 238 S C 0.446 174.926 174.600 -0.201 0.000 0.991 238 S CA 0.450 58.568 58.200 -0.138 0.000 0.906 238 S CB -0.392 62.814 63.200 0.010 0.000 0.789 238 S HN 0.742 nan 8.310 nan 0.000 0.513 239 N N 1.318 119.946 118.700 -0.120 0.000 3.050 239 N HA 0.194 4.934 4.740 -0.000 0.000 0.289 239 N C -0.113 175.339 175.510 -0.097 0.000 1.209 239 N CA -0.535 52.487 53.050 -0.047 0.000 1.154 239 N CB -0.768 37.731 38.487 0.020 0.000 1.444 239 N HN 0.328 nan 8.380 nan 0.000 0.529 240 Y N 0.218 120.538 120.300 0.034 0.000 2.315 240 Y HA -0.179 4.371 4.550 -0.000 0.000 0.288 240 Y C 2.310 178.210 175.900 0.000 0.000 1.154 240 Y CA 1.139 59.250 58.100 0.018 0.000 1.229 240 Y CB -0.075 38.397 38.460 0.020 0.000 0.980 240 Y HN 0.524 nan 8.280 nan 0.000 0.540 241 Q N -0.092 119.786 119.800 0.130 0.000 2.291 241 Q HA -0.097 4.243 4.340 -0.000 0.000 0.205 241 Q C 2.290 178.293 176.000 0.006 0.000 0.970 241 Q CA 1.020 56.860 55.803 0.061 0.000 0.876 241 Q CB -0.381 28.380 28.738 0.038 0.000 0.935 241 Q HN 0.544 nan 8.270 nan 0.000 0.455 242 G N 0.376 109.156 108.800 -0.033 0.000 2.625 242 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.214 242 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.214 242 G C 1.104 175.956 174.900 -0.078 0.000 1.132 242 G CA 0.155 45.192 45.100 -0.105 0.000 0.782 242 G HN 0.307 nan 8.290 nan 0.000 0.538 243 L N 1.188 122.403 121.223 -0.014 0.000 2.607 243 L HA 0.165 4.504 4.340 -0.000 0.000 0.228 243 L C 1.300 178.179 176.870 0.016 0.000 1.123 243 L CA 0.192 55.036 54.840 0.007 0.000 0.890 243 L CB -0.187 41.903 42.059 0.052 0.000 1.103 243 L HN 0.220 nan 8.230 nan 0.000 0.468 244 T N -4.058 110.502 114.554 0.011 0.000 2.928 244 T HA 0.183 4.533 4.350 -0.000 0.000 0.284 244 T C 0.904 175.611 174.700 0.012 0.000 1.008 244 T CA -0.717 61.393 62.100 0.017 0.000 1.057 244 T CB 2.516 71.397 68.868 0.021 0.000 1.018 244 T HN 0.025 nan 8.240 nan 0.000 0.493 245 K N 0.972 121.382 120.400 0.017 0.000 2.015 245 K HA -0.243 4.077 4.320 -0.000 0.000 0.216 245 K C 1.391 178.003 176.600 0.020 0.000 1.052 245 K CA 2.350 58.648 56.287 0.019 0.000 0.937 245 K CB -0.435 32.075 32.500 0.017 0.000 0.719 245 K HN 0.647 nan 8.250 nan 0.000 0.446 246 D N 0.087 120.497 120.400 0.016 0.000 2.084 246 D HA -0.081 4.559 4.640 -0.000 0.000 0.194 246 D C -0.697 175.615 176.300 0.020 0.000 0.990 246 D CA 1.321 55.331 54.000 0.017 0.000 0.826 246 D CB -1.428 39.379 40.800 0.012 0.000 0.971 246 D HN 0.286 nan 8.370 nan 0.000 0.453 247 P HA -0.083 nan 4.420 nan 0.000 0.215 247 P C 1.718 179.038 177.300 0.033 0.000 1.157 247 P CA 0.815 63.919 63.100 0.007 0.000 0.868 247 P CB -0.018 31.667 31.700 -0.025 0.000 0.788 248 L N -1.484 119.755 121.223 0.027 0.000 2.201 248 L HA -0.117 4.223 4.340 -0.000 0.000 0.212 248 L C 2.355 179.295 176.870 0.116 0.000 1.105 248 L CA 1.185 56.069 54.840 0.074 0.000 0.775 248 L CB -0.892 41.193 42.059 0.043 0.000 0.913 248 L HN -0.028 nan 8.230 nan 0.000 0.440 249 A N 0.135 122.997 122.820 0.070 0.000 1.929 249 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 249 A C 2.053 179.671 177.584 0.058 0.000 1.176 249 A CA 1.839 53.910 52.037 0.055 0.000 0.628 249 A CB -0.501 18.519 19.000 0.033 0.000 0.816 249 A HN 0.425 nan 8.150 nan 0.000 0.444 250 N N -1.485 117.254 118.700 0.066 0.000 2.171 250 N HA -0.158 4.582 4.740 -0.000 0.000 0.184 250 N C 1.553 177.116 175.510 0.089 0.000 1.021 250 N CA 1.502 54.587 53.050 0.058 0.000 0.854 250 N CB -0.483 38.032 38.487 0.046 0.000 0.994 250 N HN 0.463 nan 8.380 nan 0.000 0.426 251 Y N 0.664 120.952 120.300 -0.021 0.000 2.114 251 Y HA -0.188 4.362 4.550 -0.000 0.000 0.282 251 Y C 2.094 177.988 175.900 -0.011 0.000 1.165 251 Y CA 1.570 59.656 58.100 -0.023 0.000 1.148 251 Y CB -0.705 37.736 38.460 -0.032 0.000 0.972 251 Y HN 0.188 nan 8.280 nan 0.000 0.504 252 L N 0.483 121.722 121.223 0.026 0.000 2.017 252 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 252 L C 2.497 179.321 176.870 -0.077 0.000 1.073 252 L CA 2.245 57.046 54.840 -0.065 0.000 0.745 252 L CB -1.454 40.610 42.059 0.010 0.000 0.894 252 L HN 0.243 nan 8.230 nan 0.000 0.432 253 A N -0.441 122.361 122.820 -0.031 0.000 1.883 253 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 253 A C 2.304 179.861 177.584 -0.044 0.000 1.186 253 A CA 2.223 54.243 52.037 -0.029 0.000 0.624 253 A CB -1.035 17.960 19.000 -0.008 0.000 0.822 253 A HN 0.521 nan 8.150 nan 0.000 0.444 254 L N -0.565 120.626 121.223 -0.053 0.000 2.046 254 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 254 L C 2.833 179.648 176.870 -0.093 0.000 1.077 254 L CA 1.525 56.330 54.840 -0.059 0.000 0.747 254 L CB -0.365 41.668 42.059 -0.043 0.000 0.896 254 L HN 0.339 nan 8.230 nan 0.000 0.432 255 S N -0.543 115.053 115.700 -0.173 0.000 2.402 255 S HA -0.148 4.322 4.470 -0.000 0.000 0.229 255 S C 1.912 176.451 174.600 -0.101 0.000 1.021 255 S CA 1.051 59.138 58.200 -0.189 0.000 0.974 255 S CB -0.043 62.948 63.200 -0.348 0.000 0.800 255 S HN 0.325 nan 8.310 nan 0.000 0.484 256 K N 1.069 121.418 120.400 -0.086 0.000 2.097 256 K HA -0.028 4.291 4.320 -0.000 0.000 0.205 256 K C 2.140 178.728 176.600 -0.020 0.000 1.050 256 K CA 0.975 57.231 56.287 -0.052 0.000 0.938 256 K CB -0.039 32.434 32.500 -0.046 0.000 0.718 256 K HN 0.388 nan 8.250 nan 0.000 0.442 257 E N 0.222 120.412 120.200 -0.017 0.000 2.051 257 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 257 E C 2.004 178.627 176.600 0.039 0.000 0.991 257 E CA 1.174 57.578 56.400 0.008 0.000 0.799 257 E CB 0.053 29.750 29.700 -0.006 0.000 0.748 257 E HN 0.030 nan 8.360 nan 0.000 0.449 258 V N 0.718 120.645 119.914 0.022 0.000 2.343 258 V HA -0.296 3.824 4.120 -0.000 0.000 0.247 258 V C 2.374 178.544 176.094 0.126 0.000 1.051 258 V CA 1.468 63.804 62.300 0.061 0.000 1.036 258 V CB -0.325 31.519 31.823 0.034 0.000 0.654 258 V HN 0.463 nan 8.190 nan 0.000 0.451 259 c N -0.766 117.873 118.600 0.064 0.000 2.450 259 c HA -0.137 4.433 4.570 -0.000 0.000 0.279 259 c C 2.798 176.918 174.090 0.049 0.000 1.335 259 c CA 1.158 57.519 56.329 0.052 0.000 1.749 259 c CB -0.913 41.593 42.510 -0.007 0.000 1.963 259 c HN 0.670 nan 8.230 nan 0.000 0.501 260 Q N -0.365 119.466 119.800 0.051 0.000 2.135 260 Q HA -0.248 4.092 4.340 -0.000 0.000 0.204 260 Q C 1.952 177.991 176.000 0.064 0.000 0.981 260 Q CA 1.797 57.624 55.803 0.039 0.000 0.856 260 Q CB -0.286 28.478 28.738 0.044 0.000 0.902 260 Q HN 0.692 nan 8.270 nan 0.000 0.425 261 F N -0.330 119.606 119.950 -0.023 0.000 2.234 261 F HA -0.081 4.446 4.527 -0.000 0.000 0.296 261 F C 1.849 177.658 175.800 0.015 0.000 1.089 261 F CA 0.706 58.689 58.000 -0.029 0.000 1.343 261 F CB -0.017 38.965 39.000 -0.032 0.000 1.040 261 F HN -0.112 nan 8.300 nan 0.000 0.498 262 V N 0.944 120.958 119.914 0.168 0.000 2.332 262 V HA -0.327 3.793 4.120 -0.000 0.000 0.248 262 V C 2.047 178.116 176.094 -0.042 0.000 1.055 262 V CA 2.252 64.642 62.300 0.150 0.000 1.038 262 V CB -0.667 31.266 31.823 0.183 0.000 0.651 262 V HN 0.387 nan 8.190 nan 0.000 0.450 263 N N -0.474 118.182 118.700 -0.073 0.000 2.333 263 N HA -0.069 4.671 4.740 -0.000 0.000 0.178 263 N C 1.790 177.209 175.510 -0.152 0.000 1.018 263 N CA 0.881 53.860 53.050 -0.119 0.000 0.882 263 N CB -0.037 38.395 38.487 -0.091 0.000 0.984 263 N HN 0.583 nan 8.380 nan 0.000 0.434 264 E N -0.585 119.506 120.200 -0.181 0.000 2.230 264 E HA 0.050 4.400 4.350 -0.000 0.000 0.192 264 E C 1.023 177.415 176.600 -0.346 0.000 0.987 264 E CA 0.492 56.763 56.400 -0.215 0.000 0.841 264 E CB 0.386 29.980 29.700 -0.177 0.000 0.783 264 E HN 0.322 nan 8.360 nan 0.000 0.481 265 C N -1.277 117.709 119.300 -0.523 0.000 2.646 265 C HA 0.088 4.548 4.460 -0.000 0.000 0.428 265 C C 2.103 176.953 174.990 -0.234 0.000 1.492 265 C CA -0.525 58.067 59.018 -0.710 0.000 2.538 265 C CB -0.897 25.885 27.740 -1.596 0.000 2.609 265 C HN 0.416 nan 8.230 nan 0.000 0.594 266 Y N 2.910 123.018 120.300 -0.321 0.000 2.049 266 Y HA -0.119 4.431 4.550 -0.000 0.000 0.277 266 Y C 2.209 177.877 175.900 -0.387 0.000 1.143 266 Y CA 1.617 59.587 58.100 -0.216 0.000 1.115 266 Y CB -0.892 37.514 38.460 -0.090 0.000 0.975 266 Y HN 0.147 nan 8.280 nan 0.000 0.487 267 I N 0.825 121.160 120.570 -0.391 0.000 2.179 267 I HA -0.203 3.967 4.170 -0.000 0.000 0.242 267 I C -0.377 175.550 176.117 -0.316 0.000 1.088 267 I CA 1.430 62.434 61.300 -0.493 0.000 1.357 267 I CB -2.756 35.012 38.000 -0.388 0.000 1.051 267 I HN 0.177 nan 8.210 nan 0.000 0.409 268 P HA -0.123 nan 4.420 nan 0.000 0.215 268 P C 1.204 178.468 177.300 -0.060 0.000 1.157 268 P CA 1.457 64.487 63.100 -0.117 0.000 0.868 268 P CB 0.015 31.668 31.700 -0.079 0.000 0.788 269 D N -0.971 119.426 120.400 -0.006 0.000 2.144 269 D HA -0.132 4.508 4.640 -0.000 0.000 0.199 269 D C 1.854 178.144 176.300 -0.016 0.000 0.984 269 D CA 0.862 54.929 54.000 0.111 0.000 0.834 269 D CB -0.828 40.177 40.800 0.341 0.000 0.955 269 D HN 0.036 nan 8.370 nan 0.000 0.465 270 L N 0.486 121.526 121.223 -0.305 0.000 2.046 270 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 270 L C 2.090 178.814 176.870 -0.245 0.000 1.077 270 L CA 1.420 56.001 54.840 -0.432 0.000 0.747 270 L CB -0.460 41.173 42.059 -0.711 0.000 0.896 270 L HN 0.018 nan 8.230 nan 0.000 0.432 271 L N -1.028 120.070 121.223 -0.208 0.000 2.156 271 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 271 L C 2.624 179.444 176.870 -0.084 0.000 1.095 271 L CA 0.861 55.607 54.840 -0.156 0.000 0.770 271 L CB -0.874 41.091 42.059 -0.156 0.000 0.914 271 L HN 0.345 nan 8.230 nan 0.000 0.439 272 A N -0.151 122.655 122.820 -0.023 0.000 1.877 272 A HA -0.144 4.175 4.320 -0.000 0.000 0.216 272 A C 2.359 180.050 177.584 0.178 0.000 1.186 272 A CA 1.674 53.757 52.037 0.076 0.000 0.620 272 A CB -0.796 18.293 19.000 0.149 0.000 0.822 272 A HN 0.153 nan 8.150 nan 0.000 0.443 273 V N -0.139 119.854 119.914 0.132 0.000 2.295 273 V HA -0.246 3.873 4.120 -0.000 0.000 0.246 273 V C 3.058 179.228 176.094 0.127 0.000 1.049 273 V CA 1.991 64.390 62.300 0.165 0.000 1.024 273 V CB -1.113 30.677 31.823 -0.055 0.000 0.648 273 V HN 0.614 nan 8.190 nan 0.000 0.447 274 A N 0.169 122.957 122.820 -0.054 0.000 2.024 274 A HA -0.095 4.225 4.320 -0.000 0.000 0.220 274 A C 2.339 179.929 177.584 0.011 0.000 1.164 274 A CA 1.831 53.833 52.037 -0.058 0.000 0.643 274 A CB -1.014 17.910 19.000 -0.126 0.000 0.806 274 A HN 0.558 nan 8.150 nan 0.000 0.451 275 G N -1.321 107.457 108.800 -0.037 0.000 2.402 275 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.216 275 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.216 275 G C 1.269 176.058 174.900 -0.185 0.000 1.162 275 G CA 0.991 45.996 45.100 -0.159 0.000 0.777 275 G HN 0.445 nan 8.290 nan 0.000 0.539 276 F N -0.802 119.158 119.950 0.018 0.000 2.367 276 F HA 0.219 4.746 4.527 -0.001 0.000 0.298 276 F C 1.202 176.980 175.800 -0.038 0.000 1.094 276 F CA 0.380 58.348 58.000 -0.053 0.000 1.409 276 F CB 0.020 38.939 39.000 -0.135 0.000 1.064 276 F HN 0.096 nan 8.300 nan 0.000 0.528 277 Y N -0.354 120.158 120.300 0.354 0.000 2.774 277 Y HA 0.205 4.755 4.550 0.000 0.000 0.305 277 Y C 1.636 177.745 175.900 0.349 0.000 1.067 277 Y CA -0.574 57.785 58.100 0.432 0.000 1.304 277 Y CB -0.294 38.291 38.460 0.209 0.000 1.209 277 Y HN -0.094 nan 8.280 nan 0.000 0.543 278 K N 1.043 121.628 120.400 0.309 0.000 2.160 278 K HA -0.244 4.076 4.320 -0.000 0.000 0.206 278 K C 1.499 178.242 176.600 0.238 0.000 1.047 278 K CA 2.126 58.531 56.287 0.196 0.000 0.930 278 K CB 0.011 32.564 32.500 0.088 0.000 0.720 278 K HN 0.538 nan 8.250 nan 0.000 0.450 279 D N -0.691 119.894 120.400 0.308 0.000 2.263 279 D HA -0.207 4.433 4.640 -0.000 0.000 0.208 279 D C 1.112 177.530 176.300 0.196 0.000 0.971 279 D CA 0.892 55.032 54.000 0.232 0.000 0.867 279 D CB -0.772 40.167 40.800 0.231 0.000 0.929 279 D HN 0.328 nan 8.370 nan 0.000 0.492 280 W N 1.274 122.731 121.300 0.261 0.000 3.077 280 W HA 0.369 5.029 4.660 -0.000 0.000 0.245 280 W C 2.262 178.880 176.519 0.164 0.000 1.316 280 W CA 0.509 58.000 57.345 0.243 0.000 1.537 280 W CB -0.034 29.628 29.460 0.337 0.000 1.131 280 W HN 0.111 nan 8.180 nan 0.000 0.695 281 G N -0.426 108.522 108.800 0.246 0.000 2.848 281 G HA2 0.080 4.039 3.960 -0.000 0.000 0.208 281 G HA3 0.080 4.039 3.960 -0.000 0.000 0.208 281 G C 1.311 176.281 174.900 0.115 0.000 1.152 281 G CA 0.686 45.881 45.100 0.158 0.000 0.789 281 G HN 0.313 nan 8.290 nan 0.000 0.531 282 G N -0.100 108.742 108.800 0.070 0.000 3.839 282 G HA2 0.482 4.442 3.960 -0.000 0.000 0.286 282 G HA3 0.482 4.442 3.960 -0.000 0.000 0.286 282 G C -0.174 174.709 174.900 -0.029 0.000 1.005 282 G CA -0.302 44.814 45.100 0.026 0.000 0.824 282 G HN 0.281 nan 8.290 nan 0.000 0.489 283 I N -0.190 120.356 120.570 -0.041 0.000 2.582 283 I HA 0.525 4.695 4.170 -0.000 0.000 0.292 283 I C 0.885 177.039 176.117 0.061 0.000 1.066 283 I CA -0.583 60.645 61.300 -0.119 0.000 1.053 283 I CB 2.292 39.965 38.000 -0.544 0.000 1.241 283 I HN 0.152 nan 8.210 nan 0.000 0.421 284 G N 3.755 112.609 108.800 0.090 0.000 2.182 284 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.248 284 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.248 284 G C 0.294 175.320 174.900 0.211 0.000 1.042 284 G CA -0.032 45.184 45.100 0.193 0.000 0.775 284 G HN 1.054 nan 8.290 nan 0.000 0.501 285 G N -0.746 108.158 108.800 0.173 0.000 2.476 285 G HA2 0.840 4.800 3.960 -0.000 0.000 0.286 285 G HA3 0.840 4.800 3.960 -0.000 0.000 0.286 285 G C 0.382 175.383 174.900 0.168 0.000 1.177 285 G CA 0.830 46.055 45.100 0.207 0.000 0.870 285 G HN 1.383 nan 8.290 nan 0.000 0.528 286 T N -2.784 111.873 114.554 0.171 0.000 2.724 286 T HA 0.614 4.964 4.350 -0.000 0.000 0.274 286 T C 0.806 175.446 174.700 -0.100 0.000 0.984 286 T CA -0.133 61.991 62.100 0.040 0.000 1.024 286 T CB 1.681 70.579 68.868 0.051 0.000 1.320 286 T HN 0.245 nan 8.240 nan 0.000 0.555 287 S N 0.193 115.761 115.700 -0.220 0.000 2.575 287 S HA 0.309 4.778 4.470 -0.000 0.000 0.230 287 S C 0.123 174.465 174.600 -0.429 0.000 1.062 287 S CA -0.390 57.642 58.200 -0.280 0.000 0.913 287 S CB -0.013 63.085 63.200 -0.170 0.000 0.837 287 S HN 0.713 nan 8.310 nan 0.000 0.487 288 N N 0.896 119.286 118.700 -0.516 0.000 2.321 288 N HA 0.466 5.206 4.740 -0.000 0.000 0.299 288 N C -1.605 173.516 175.510 -0.648 0.000 1.048 288 N CA -0.227 52.557 53.050 -0.443 0.000 0.836 288 N CB 1.289 39.662 38.487 -0.190 0.000 1.269 288 N HN 0.175 nan 8.380 nan 0.000 0.486 289 Y N 0.460 120.718 120.300 -0.070 0.000 2.442 289 Y HA 0.543 5.093 4.550 -0.000 0.000 0.344 289 Y C -0.446 175.328 175.900 -0.209 0.000 0.976 289 Y CA -1.137 56.907 58.100 -0.093 0.000 1.040 289 Y CB 2.183 40.637 38.460 -0.010 0.000 1.228 289 Y HN 0.360 nan 8.280 nan 0.000 0.451 290 L N 2.824 123.942 121.223 -0.174 0.000 2.408 290 L HA 1.008 5.347 4.340 -0.000 0.000 0.268 290 L C -1.304 175.341 176.870 -0.375 0.000 0.986 290 L CA -0.479 54.124 54.840 -0.395 0.000 0.820 290 L CB 1.798 43.396 42.059 -0.770 0.000 1.303 290 L HN 0.704 nan 8.230 nan 0.000 0.411 291 A N 3.778 126.414 122.820 -0.307 0.000 2.515 291 A HA 0.600 4.920 4.320 -0.000 0.000 0.298 291 A C -0.442 177.062 177.584 -0.133 0.000 1.059 291 A CA -0.482 51.393 52.037 -0.270 0.000 0.698 291 A CB 0.800 19.746 19.000 -0.090 0.000 1.289 291 A HN 0.778 nan 8.150 nan 0.000 0.404 292 F N 1.597 121.544 119.950 -0.005 0.000 2.754 292 F HA 0.397 4.924 4.527 -0.000 0.000 0.297 292 F C 1.604 177.466 175.800 0.104 0.000 1.122 292 F CA 0.763 58.796 58.000 0.055 0.000 1.400 292 F CB 0.428 39.463 39.000 0.057 0.000 1.117 292 F HN 1.056 nan 8.300 nan 0.000 0.587 293 G N 1.432 110.367 108.800 0.224 0.000 2.712 293 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.686 293 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.686 293 G C -1.380 173.575 174.900 0.092 0.000 1.321 293 G CA -0.856 44.309 45.100 0.108 0.000 0.813 293 G HN 0.166 nan 8.290 nan 0.000 0.599 294 E N -1.106 119.062 120.200 -0.054 0.000 2.449 294 E HA 0.743 5.093 4.350 -0.000 0.000 0.278 294 E C 0.145 176.504 176.600 -0.401 0.000 0.992 294 E CA -0.626 55.570 56.400 -0.340 0.000 0.807 294 E CB 0.712 29.977 29.700 -0.724 0.000 1.350 294 E HN 1.477 nan 8.360 nan 0.000 0.462 295 F N -0.586 119.205 119.950 -0.266 0.000 2.985 295 F HA -0.160 4.367 4.527 -0.000 0.000 0.303 295 F C 0.228 175.881 175.800 -0.245 0.000 0.976 295 F CA 0.362 58.123 58.000 -0.399 0.000 1.013 295 F CB -1.672 36.971 39.000 -0.596 0.000 1.060 295 F HN 0.389 nan 8.300 nan 0.000 0.780 296 A N 0.428 123.179 122.820 -0.116 0.000 2.371 296 A HA 0.545 4.865 4.320 -0.000 0.000 0.257 296 A C 1.355 178.912 177.584 -0.044 0.000 1.089 296 A CA 0.206 52.179 52.037 -0.105 0.000 0.794 296 A CB 0.472 19.362 19.000 -0.185 0.000 1.029 296 A HN 0.597 nan 8.150 nan 0.000 0.488 297 T N -1.469 113.077 114.554 -0.013 0.000 3.088 297 T HA 0.087 4.437 4.350 -0.000 0.000 0.259 297 T C 0.097 174.798 174.700 0.001 0.000 1.122 297 T CA 1.016 63.118 62.100 0.005 0.000 1.095 297 T CB -0.053 68.834 68.868 0.031 0.000 0.930 297 T HN 0.601 nan 8.240 nan 0.000 0.508 298 D N 0.640 121.037 120.400 -0.005 0.000 2.476 298 D HA 0.223 4.862 4.640 -0.000 0.000 0.251 298 D C -1.117 175.189 176.300 0.010 0.000 1.291 298 D CA -0.452 53.550 54.000 0.003 0.000 0.939 298 D CB 1.298 42.102 40.800 0.006 0.000 1.221 298 D HN -0.100 nan 8.370 nan 0.000 0.567 299 D N 1.755 122.161 120.400 0.011 0.000 2.525 299 D HA 0.003 4.643 4.640 -0.000 0.000 0.229 299 D C 1.509 177.805 176.300 -0.007 0.000 1.202 299 D CA 0.141 54.154 54.000 0.022 0.000 0.828 299 D CB 0.627 41.435 40.800 0.013 0.000 1.008 299 D HN 0.398 nan 8.370 nan 0.000 0.493 300 S N -0.552 115.146 115.700 -0.003 0.000 2.447 300 S HA -0.052 4.418 4.470 -0.000 0.000 0.233 300 S C 1.036 175.623 174.600 -0.020 0.000 1.006 300 S CA 0.154 58.347 58.200 -0.011 0.000 0.957 300 S CB 0.020 63.219 63.200 -0.002 0.000 0.773 300 S HN 0.206 nan 8.310 nan 0.000 0.507 301 S N -0.834 114.857 115.700 -0.016 0.000 2.588 301 S HA 0.541 5.011 4.470 -0.000 0.000 0.269 301 S C -2.915 171.669 174.600 -0.026 0.000 1.157 301 S CA -1.169 57.014 58.200 -0.029 0.000 0.824 301 S CB 1.203 64.395 63.200 -0.014 0.000 1.126 301 S HN -0.037 nan 8.310 nan 0.000 0.464 302 P HA -0.056 nan 4.420 nan 0.000 0.215 302 P C 1.512 178.809 177.300 -0.005 0.000 1.153 302 P CA 1.651 64.700 63.100 -0.085 0.000 0.853 302 P CB -0.293 31.311 31.700 -0.159 0.000 0.788 303 S N -0.170 115.531 115.700 0.001 0.000 2.365 303 S HA -0.162 4.308 4.470 -0.000 0.000 0.225 303 S C 1.873 176.492 174.600 0.032 0.000 1.039 303 S CA 1.368 59.582 58.200 0.023 0.000 1.033 303 S CB -0.604 62.609 63.200 0.023 0.000 0.887 303 S HN 0.166 nan 8.310 nan 0.000 0.447 304 K N 0.446 120.863 120.400 0.029 0.000 2.097 304 K HA -0.069 4.251 4.320 -0.000 0.000 0.205 304 K C 1.978 178.594 176.600 0.028 0.000 1.050 304 K CA 1.315 57.616 56.287 0.024 0.000 0.938 304 K CB -0.727 31.784 32.500 0.018 0.000 0.718 304 K HN 0.541 nan 8.250 nan 0.000 0.442 305 H N 1.226 120.270 119.070 -0.043 0.000 2.289 305 H HA -0.060 4.496 4.556 -0.000 0.000 0.296 305 H C 2.043 177.360 175.328 -0.019 0.000 1.091 305 H CA 2.021 58.039 56.048 -0.049 0.000 1.274 305 H CB -0.276 29.432 29.762 -0.091 0.000 1.364 305 H HN 0.016 nan 8.280 nan 0.000 0.490 306 L N -0.489 120.774 121.223 0.067 0.000 2.127 306 L HA -0.187 4.153 4.340 -0.000 0.000 0.211 306 L C 2.646 179.511 176.870 -0.009 0.000 1.089 306 L CA 1.116 55.983 54.840 0.044 0.000 0.757 306 L CB -0.440 41.668 42.059 0.081 0.000 0.899 306 L HN 0.498 nan 8.230 nan 0.000 0.434 307 A N -1.007 121.807 122.820 -0.011 0.000 2.044 307 A HA -0.048 4.272 4.320 -0.000 0.000 0.213 307 A C 2.085 179.661 177.584 -0.014 0.000 1.169 307 A CA 1.244 53.281 52.037 -0.000 0.000 0.724 307 A CB -0.293 18.716 19.000 0.014 0.000 0.840 307 A HN 0.433 nan 8.150 nan 0.000 0.463 308 T N -3.244 111.284 114.554 -0.044 0.000 3.044 308 T HA 0.240 4.589 4.350 -0.000 0.000 0.260 308 T C 0.465 175.137 174.700 -0.047 0.000 1.019 308 T CA 0.242 62.325 62.100 -0.029 0.000 0.921 308 T CB -0.194 68.665 68.868 -0.016 0.000 1.053 308 T HN 0.049 nan 8.240 nan 0.000 0.533 309 S N 2.677 118.302 115.700 -0.124 0.000 2.544 309 S HA 0.048 4.518 4.470 -0.000 0.000 0.290 309 S C 1.325 175.974 174.600 0.080 0.000 1.276 309 S CA -0.274 57.858 58.200 -0.113 0.000 1.075 309 S CB 0.714 63.788 63.200 -0.209 0.000 0.849 309 S HN 0.515 nan 8.310 nan 0.000 0.494 310 Q N 1.501 121.410 119.800 0.182 0.000 2.167 310 Q HA -0.019 4.321 4.340 -0.000 0.000 0.202 310 Q C -0.359 175.991 176.000 0.583 0.000 0.970 310 Q CA 0.840 56.844 55.803 0.335 0.000 0.855 310 Q CB 0.025 28.996 28.738 0.389 0.000 0.911 310 Q HN 0.583 nan 8.270 nan 0.000 0.438 311 F N 2.549 122.673 119.950 0.290 0.000 2.368 311 F HA 0.280 4.807 4.527 -0.000 0.000 0.362 311 F C -1.927 173.909 175.800 0.060 0.000 1.137 311 F CA -3.833 54.305 58.000 0.231 0.000 1.161 311 F CB 0.156 39.370 39.000 0.358 0.000 1.265 311 F HN -0.063 nan 8.300 nan 0.000 0.530 312 P HA 0.105 nan 4.420 nan 0.000 0.272 312 P C -0.198 177.121 177.300 0.033 0.000 1.230 312 P CA -0.192 62.943 63.100 0.059 0.000 0.788 312 P CB 0.967 32.678 31.700 0.018 0.000 0.949 313 S N 0.156 115.876 115.700 0.033 0.000 2.672 313 S HA 0.853 5.323 4.470 -0.000 0.000 0.276 313 S C 0.312 174.929 174.600 0.027 0.000 1.207 313 S CA 0.024 58.255 58.200 0.052 0.000 1.002 313 S CB 0.911 64.174 63.200 0.105 0.000 0.998 313 S HN 0.874 nan 8.310 nan 0.000 0.542 314 G N -0.675 108.132 108.800 0.012 0.000 2.317 314 G HA2 0.455 4.415 3.960 -0.000 0.000 0.293 314 G HA3 0.455 4.415 3.960 -0.000 0.000 0.293 314 G C -1.982 172.884 174.900 -0.057 0.000 1.287 314 G CA -0.233 44.867 45.100 -0.001 0.000 0.850 314 G HN 1.361 nan 8.290 nan 0.000 0.515 315 V N 0.477 120.365 119.914 -0.043 0.000 2.668 315 V HA 0.579 4.699 4.120 -0.000 0.000 0.304 315 V C -0.514 175.576 176.094 -0.007 0.000 1.071 315 V CA -0.435 61.812 62.300 -0.089 0.000 0.894 315 V CB 1.599 33.331 31.823 -0.152 0.000 1.008 315 V HN 0.707 nan 8.190 nan 0.000 0.425 316 I N 3.243 123.827 120.570 0.023 0.000 2.433 316 I HA 0.608 4.778 4.170 -0.000 0.000 0.292 316 I C -0.106 176.029 176.117 0.030 0.000 1.001 316 I CA -0.132 61.208 61.300 0.066 0.000 1.119 316 I CB 2.424 40.520 38.000 0.161 0.000 1.289 316 I HN 0.564 nan 8.210 nan 0.000 0.438 317 T N 3.479 118.044 114.554 0.018 0.000 2.841 317 T HA 0.465 4.815 4.350 -0.000 0.000 0.283 317 T C 0.541 175.224 174.700 -0.029 0.000 1.000 317 T CA -0.131 61.964 62.100 -0.010 0.000 0.977 317 T CB 1.659 70.543 68.868 0.027 0.000 0.979 317 T HN 1.001 nan 8.240 nan 0.000 0.446 318 G N 2.869 111.628 108.800 -0.068 0.000 2.249 318 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.273 318 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.273 318 G C 0.523 175.358 174.900 -0.109 0.000 1.036 318 G CA 0.476 45.527 45.100 -0.083 0.000 0.824 318 G HN 0.885 nan 8.290 nan 0.000 0.504 319 R N -1.662 118.763 120.500 -0.125 0.000 3.875 319 R HA -0.211 4.128 4.340 -0.000 0.000 0.321 319 R C 0.107 176.358 176.300 -0.082 0.000 1.196 319 R CA 1.258 57.256 56.100 -0.171 0.000 0.868 319 R CB -1.385 28.639 30.300 -0.460 0.000 1.333 319 R HN 0.516 nan 8.270 nan 0.000 0.522 320 D N 0.983 121.364 120.400 -0.032 0.000 2.468 320 D HA 0.133 4.773 4.640 -0.000 0.000 0.218 320 D C 1.134 177.443 176.300 0.016 0.000 1.155 320 D CA -0.231 53.765 54.000 -0.006 0.000 0.924 320 D CB 0.381 41.180 40.800 -0.002 0.000 1.029 320 D HN 0.243 nan 8.370 nan 0.000 0.515 321 L N 2.139 123.378 121.223 0.027 0.000 2.633 321 L HA 0.112 4.452 4.340 -0.000 0.000 0.235 321 L C 2.075 178.969 176.870 0.041 0.000 1.163 321 L CA 0.492 55.362 54.840 0.050 0.000 0.859 321 L CB 0.019 42.142 42.059 0.106 0.000 0.973 321 L HN 0.385 nan 8.230 nan 0.000 0.451 322 G N -0.320 108.498 108.800 0.029 0.000 3.042 322 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.212 322 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.212 322 G C 0.904 175.815 174.900 0.018 0.000 1.166 322 G CA -0.102 45.010 45.100 0.020 0.000 0.767 322 G HN 0.191 nan 8.290 nan 0.000 0.546 323 K N 1.123 121.536 120.400 0.023 0.000 3.146 323 K HA 0.340 4.659 4.320 -0.000 0.000 0.168 323 K C -0.759 175.860 176.600 0.031 0.000 1.075 323 K CA -0.318 55.985 56.287 0.026 0.000 0.843 323 K CB 1.043 33.558 32.500 0.026 0.000 1.002 323 K HN -0.068 nan 8.250 nan 0.000 0.597 324 V N 3.017 122.948 119.914 0.028 0.000 2.403 324 V HA 0.032 4.152 4.120 -0.000 0.000 0.265 324 V C 0.276 176.392 176.094 0.036 0.000 1.034 324 V CA 0.030 62.348 62.300 0.030 0.000 1.036 324 V CB 0.262 32.098 31.823 0.021 0.000 1.032 324 V HN 0.460 nan 8.190 nan 0.000 0.478 325 D N 3.493 123.921 120.400 0.047 0.000 2.312 325 D HA 0.214 4.854 4.640 -0.000 0.000 0.248 325 D C 0.211 176.553 176.300 0.071 0.000 1.086 325 D CA -0.369 53.671 54.000 0.066 0.000 0.948 325 D CB 0.693 41.550 40.800 0.096 0.000 1.162 325 D HN 0.420 nan 8.370 nan 0.000 0.446 326 N N -0.184 118.568 118.700 0.087 0.000 2.479 326 N HA 0.060 4.800 4.740 -0.000 0.000 0.257 326 N C -0.325 175.273 175.510 0.147 0.000 1.232 326 N CA -0.188 52.921 53.050 0.100 0.000 0.920 326 N CB 0.767 39.312 38.487 0.096 0.000 1.105 326 N HN 0.092 nan 8.380 nan 0.000 0.444 327 V N 1.359 121.365 119.914 0.154 0.000 2.508 327 V HA -0.004 4.116 4.120 -0.000 0.000 0.281 327 V C 0.578 176.840 176.094 0.280 0.000 1.041 327 V CA -0.211 62.226 62.300 0.228 0.000 1.016 327 V CB 0.781 32.750 31.823 0.245 0.000 0.984 327 V HN 0.546 nan 8.190 nan 0.000 0.478 328 D N 4.577 125.227 120.400 0.417 0.000 2.467 328 D HA 0.262 4.902 4.640 -0.000 0.000 0.220 328 D C 0.912 177.446 176.300 0.391 0.000 1.103 328 D CA -0.298 53.895 54.000 0.323 0.000 0.886 328 D CB 1.233 42.175 40.800 0.237 0.000 1.025 328 D HN 0.444 nan 8.370 nan 0.000 0.514 329 L N 2.601 124.028 121.223 0.340 0.000 2.265 329 L HA -0.026 4.314 4.340 -0.000 0.000 0.215 329 L C 2.291 179.460 176.870 0.497 0.000 1.117 329 L CA 1.162 56.268 54.840 0.443 0.000 0.782 329 L CB -0.039 42.244 42.059 0.373 0.000 0.914 329 L HN 0.440 nan 8.230 nan 0.000 0.441 330 G N -0.748 108.247 108.800 0.324 0.000 2.744 330 G HA2 0.031 3.990 3.960 -0.000 0.000 0.211 330 G HA3 0.031 3.990 3.960 -0.000 0.000 0.211 330 G C 1.459 176.504 174.900 0.241 0.000 1.143 330 G CA 0.573 45.808 45.100 0.226 0.000 0.788 330 G HN 0.433 nan 8.290 nan 0.000 0.534 331 A N -0.085 122.856 122.820 0.202 0.000 2.275 331 A HA 0.502 4.822 4.320 -0.000 0.000 0.212 331 A C 0.804 178.469 177.584 0.135 0.000 1.201 331 A CA -0.334 51.725 52.037 0.036 0.000 0.843 331 A CB -0.002 18.784 19.000 -0.357 0.000 0.873 331 A HN 0.297 nan 8.150 nan 0.000 0.492 332 I N 0.896 121.643 120.570 0.294 0.000 2.474 332 I HA 0.387 4.557 4.170 -0.000 0.000 0.287 332 I C -0.093 176.057 176.117 0.054 0.000 1.048 332 I CA -0.340 61.110 61.300 0.250 0.000 1.383 332 I CB 0.656 38.847 38.000 0.319 0.000 1.412 332 I HN 0.509 nan 8.210 nan 0.000 0.531 333 Y N 2.934 123.197 120.300 -0.062 0.000 2.705 333 Y HA 0.684 5.234 4.550 -0.000 0.000 0.332 333 Y C -1.390 174.386 175.900 -0.207 0.000 1.221 333 Y CA -1.304 56.693 58.100 -0.172 0.000 1.059 333 Y CB 1.126 39.537 38.460 -0.081 0.000 1.298 333 Y HN 0.415 nan 8.280 nan 0.000 0.459 334 E N 1.245 121.434 120.200 -0.020 0.000 2.248 334 E HA 0.319 4.668 4.350 -0.000 0.000 0.267 334 E C -1.639 174.992 176.600 0.052 0.000 0.877 334 E CA -1.057 55.274 56.400 -0.115 0.000 0.759 334 E CB 2.085 31.667 29.700 -0.196 0.000 1.182 334 E HN 0.518 nan 8.360 nan 0.000 0.418 335 D N 1.124 121.545 120.400 0.035 0.000 2.268 335 D HA 0.235 4.875 4.640 -0.000 0.000 0.249 335 D C 0.502 176.809 176.300 0.011 0.000 1.008 335 D CA -0.320 53.718 54.000 0.063 0.000 0.939 335 D CB 2.135 43.001 40.800 0.110 0.000 1.170 335 D HN 0.280 nan 8.370 nan 0.000 0.468 336 V N -1.176 118.754 119.914 0.027 0.000 3.337 336 V HA 0.167 4.287 4.120 -0.000 0.000 0.307 336 V C 1.654 177.775 176.094 0.046 0.000 1.505 336 V CA -0.244 62.098 62.300 0.070 0.000 1.072 336 V CB 0.125 32.005 31.823 0.096 0.000 0.929 336 V HN 0.448 nan 8.190 nan 0.000 0.455 337 K N 0.969 121.357 120.400 -0.020 0.000 2.127 337 K HA -0.181 4.139 4.320 -0.000 0.000 0.208 337 K C 1.297 177.619 176.600 -0.463 0.000 1.047 337 K CA 2.541 58.715 56.287 -0.188 0.000 0.927 337 K CB -0.312 32.049 32.500 -0.232 0.000 0.716 337 K HN 0.632 nan 8.250 nan 0.000 0.450 338 Y N 0.393 120.564 120.300 -0.215 0.000 2.571 338 Y HA 0.287 4.837 4.550 -0.000 0.000 0.275 338 Y C 0.045 175.624 175.900 -0.535 0.000 1.179 338 Y CA -0.586 57.279 58.100 -0.390 0.000 1.242 338 Y CB 0.840 39.120 38.460 -0.300 0.000 1.126 338 Y HN -0.092 nan 8.280 nan 0.000 0.524 339 S N -1.194 114.384 115.700 -0.203 0.000 2.664 339 S HA 0.227 4.697 4.470 -0.000 0.000 0.304 339 S C -0.649 173.799 174.600 -0.252 0.000 1.099 339 S CA -0.782 57.267 58.200 -0.252 0.000 1.003 339 S CB 0.911 64.195 63.200 0.142 0.000 1.092 339 S HN 0.264 nan 8.310 nan 0.000 0.525 340 W N 2.873 123.862 121.300 -0.519 0.000 1.395 340 W HA 0.327 4.987 4.660 -0.000 0.000 0.451 340 W C -1.042 174.931 176.519 -0.910 0.000 0.619 340 W CA -0.433 56.418 57.345 -0.824 0.000 2.212 340 W CB -1.309 27.263 29.460 -1.480 0.000 1.537 340 W HN 0.535 nan 8.180 nan 0.000 0.275 341 Y N 0.096 120.401 120.300 0.008 0.000 2.605 341 Y HA 0.585 5.135 4.550 -0.000 0.000 0.343 341 Y C 0.494 176.384 175.900 -0.017 0.000 1.036 341 Y CA -1.777 56.336 58.100 0.021 0.000 1.065 341 Y CB 0.441 38.928 38.460 0.045 0.000 1.288 341 Y HN 0.013 nan 8.280 nan 0.000 0.481 342 A N 2.851 125.774 122.820 0.172 0.000 2.445 342 A HA 0.393 4.713 4.320 -0.000 0.000 0.242 342 A C -2.322 175.301 177.584 0.066 0.000 1.075 342 A CA -1.174 50.906 52.037 0.072 0.000 0.777 342 A CB -0.741 18.300 19.000 0.068 0.000 1.013 342 A HN 0.449 nan 8.150 nan 0.000 0.493 343 P HA 0.253 nan 4.420 nan 0.000 0.267 343 P C 0.766 178.079 177.300 0.021 0.000 1.200 343 P CA 1.274 64.390 63.100 0.026 0.000 0.772 343 P CB 0.794 32.500 31.700 0.009 0.000 0.855 344 G N 1.460 110.268 108.800 0.014 0.000 2.184 344 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.206 344 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.206 344 G C 0.895 175.796 174.900 0.001 0.000 0.995 344 G CA 0.034 45.136 45.100 0.004 0.000 0.651 344 G HN 0.820 nan 8.290 nan 0.000 0.511 345 G N -0.092 108.713 108.800 0.008 0.000 3.042 345 G HA2 0.346 4.305 3.960 -0.000 0.000 0.212 345 G HA3 0.346 4.305 3.960 -0.000 0.000 0.212 345 G C 0.174 175.066 174.900 -0.014 0.000 1.166 345 G CA 0.516 45.612 45.100 -0.006 0.000 0.767 345 G HN 0.432 nan 8.290 nan 0.000 0.546 346 D N 0.413 120.807 120.400 -0.009 0.000 2.399 346 D HA 0.370 5.010 4.640 -0.000 0.000 0.241 346 D C 1.338 177.620 176.300 -0.030 0.000 1.133 346 D CA 1.186 55.183 54.000 -0.005 0.000 0.890 346 D CB 1.189 41.984 40.800 -0.010 0.000 1.201 346 D HN 0.227 nan 8.370 nan 0.000 0.432 347 G N 1.476 110.272 108.800 -0.006 0.000 2.198 347 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.257 347 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.257 347 G C 0.001 174.846 174.900 -0.091 0.000 1.042 347 G CA -0.050 44.948 45.100 -0.170 0.000 0.791 347 G HN 0.344 nan 8.290 nan 0.000 0.502 348 K N 0.804 121.212 120.400 0.013 0.000 2.248 348 K HA 0.239 4.559 4.320 -0.000 0.000 0.281 348 K C 0.497 177.098 176.600 0.001 0.000 1.054 348 K CA -0.748 55.536 56.287 -0.005 0.000 0.903 348 K CB 0.877 33.354 32.500 -0.038 0.000 1.077 348 K HN 0.491 nan 8.250 nan 0.000 0.474 349 H N 4.575 123.603 119.070 -0.071 0.000 2.897 349 H HA 0.001 4.557 4.556 -0.000 0.000 0.347 349 H C -1.634 173.504 175.328 -0.316 0.000 1.068 349 H CA -0.962 54.984 56.048 -0.171 0.000 1.426 349 H CB 1.180 30.865 29.762 -0.128 0.000 1.410 349 H HN 0.228 nan 8.280 nan 0.000 0.597 350 P HA -0.156 nan 4.420 nan 0.000 0.219 350 P C 0.895 177.920 177.300 -0.458 0.000 1.146 350 P CA 1.135 63.687 63.100 -0.913 0.000 0.808 350 P CB -0.094 30.473 31.700 -1.890 0.000 0.779 351 Y N 0.144 120.359 120.300 -0.143 0.000 2.403 351 Y HA -0.124 4.426 4.550 -0.000 0.000 0.291 351 Y C 1.330 177.239 175.900 0.016 0.000 1.143 351 Y CA 0.853 58.989 58.100 0.061 0.000 1.257 351 Y CB -0.846 37.710 38.460 0.161 0.000 0.984 351 Y HN 0.058 nan 8.280 nan 0.000 0.550 352 D N -1.115 119.370 120.400 0.141 0.000 2.462 352 D HA 0.157 4.797 4.640 -0.000 0.000 0.221 352 D C 0.965 177.271 176.300 0.010 0.000 1.173 352 D CA 0.116 54.158 54.000 0.071 0.000 0.831 352 D CB -0.007 40.830 40.800 0.063 0.000 1.001 352 D HN 0.137 nan 8.370 nan 0.000 0.499 353 G N 0.500 109.281 108.800 -0.031 0.000 2.484 353 G HA2 0.302 4.261 3.960 -0.000 0.000 0.235 353 G HA3 0.302 4.261 3.960 -0.000 0.000 0.235 353 G C 0.006 174.891 174.900 -0.025 0.000 1.282 353 G CA 0.078 45.139 45.100 -0.066 0.000 0.857 353 G HN 0.027 nan 8.290 nan 0.000 0.571 354 V N 1.194 121.081 119.914 -0.045 0.000 2.638 354 V HA 0.517 4.637 4.120 -0.000 0.000 0.306 354 V C -0.109 175.951 176.094 -0.057 0.000 1.052 354 V CA -0.620 61.666 62.300 -0.023 0.000 0.885 354 V CB 2.412 34.225 31.823 -0.016 0.000 0.999 354 V HN 0.815 nan 8.190 nan 0.000 0.424 355 T N 2.813 117.375 114.554 0.012 0.000 3.150 355 T HA 0.280 4.629 4.350 -0.000 0.000 0.383 355 T C -0.858 173.949 174.700 0.177 0.000 1.313 355 T CA -0.264 61.865 62.100 0.048 0.000 1.235 355 T CB 0.245 69.204 68.868 0.151 0.000 1.088 355 T HN 0.649 nan 8.240 nan 0.000 0.556 356 D N 4.313 124.845 120.400 0.220 0.000 2.432 356 D HA 0.323 4.963 4.640 -0.000 0.000 0.265 356 D C -2.441 174.038 176.300 0.299 0.000 1.160 356 D CA -2.249 51.884 54.000 0.222 0.000 0.911 356 D CB 1.252 42.135 40.800 0.138 0.000 1.052 356 D HN 0.130 nan 8.370 nan 0.000 0.508 357 P HA 0.111 nan 4.420 nan 0.000 0.266 357 P C -0.591 176.726 177.300 0.029 0.000 1.195 357 P CA 0.046 63.150 63.100 0.007 0.000 0.768 357 P CB 0.478 31.996 31.700 -0.303 0.000 0.838 358 K N 3.083 123.460 120.400 -0.040 0.000 2.762 358 K HA 0.196 4.515 4.320 -0.000 0.000 0.272 358 K C -1.645 174.879 176.600 -0.126 0.000 1.093 358 K CA -0.590 55.668 56.287 -0.049 0.000 1.048 358 K CB 0.662 33.129 32.500 -0.055 0.000 1.304 358 K HN 0.362 nan 8.250 nan 0.000 0.511 359 Y N 2.637 122.765 120.300 -0.286 0.000 2.304 359 Y HA 0.106 4.656 4.550 -0.000 0.000 0.327 359 Y C 1.165 176.856 175.900 -0.349 0.000 1.209 359 Y CA 0.851 58.588 58.100 -0.605 0.000 1.299 359 Y CB 1.221 39.360 38.460 -0.535 0.000 1.249 359 Y HN 0.725 nan 8.280 nan 0.000 0.519 360 T N 1.369 115.395 114.554 -0.880 0.000 3.556 360 T HA 0.325 4.675 4.350 -0.000 0.000 0.204 360 T C -0.575 173.770 174.700 -0.593 0.000 0.896 360 T CA 0.034 61.865 62.100 -0.448 0.000 1.380 360 T CB 0.151 68.928 68.868 -0.152 0.000 1.584 360 T HN 0.614 nan 8.240 nan 0.000 0.411 361 K N -0.022 120.055 120.400 -0.539 0.000 2.555 361 K HA 0.624 4.944 4.320 -0.000 0.000 0.279 361 K C -1.522 175.015 176.600 -0.105 0.000 0.986 361 K CA -1.132 54.975 56.287 -0.300 0.000 0.880 361 K CB 1.197 33.655 32.500 -0.071 0.000 1.474 361 K HN 0.169 nan 8.250 nan 0.000 0.433 362 L N 2.703 123.970 121.223 0.074 0.000 2.593 362 L HA -0.015 4.325 4.340 -0.000 0.000 0.287 362 L C -0.289 176.665 176.870 0.139 0.000 1.243 362 L CA 1.639 56.593 54.840 0.191 0.000 0.890 362 L CB -0.817 41.333 42.059 0.151 0.000 1.134 362 L HN 0.804 nan 8.230 nan 0.000 0.502 363 D N 1.219 121.721 120.400 0.170 0.000 2.882 363 D HA -0.240 4.400 4.640 -0.000 0.000 0.229 363 D C -0.000 176.263 176.300 -0.061 0.000 1.167 363 D CA 1.173 55.171 54.000 -0.003 0.000 0.759 363 D CB -1.097 39.663 40.800 -0.068 0.000 1.088 363 D HN 0.746 nan 8.370 nan 0.000 0.425 364 D N 0.576 120.996 120.400 0.034 0.000 2.346 364 D HA -0.009 4.631 4.640 -0.000 0.000 0.260 364 D C 1.231 177.527 176.300 -0.006 0.000 1.252 364 D CA -0.092 53.917 54.000 0.016 0.000 0.895 364 D CB 0.789 41.641 40.800 0.086 0.000 1.097 364 D HN -0.175 nan 8.370 nan 0.000 0.489 365 K N 2.976 123.331 120.400 -0.074 0.000 2.442 365 K HA -0.083 4.237 4.320 -0.000 0.000 0.198 365 K C 0.645 177.365 176.600 0.201 0.000 1.044 365 K CA 0.567 56.828 56.287 -0.043 0.000 0.948 365 K CB 0.188 32.639 32.500 -0.083 0.000 0.762 365 K HN 0.498 nan 8.250 nan 0.000 0.472 366 D N -0.471 119.975 120.400 0.075 0.000 2.249 366 D HA -0.021 4.619 4.640 -0.000 0.000 0.205 366 D C 0.050 176.026 176.300 -0.540 0.000 0.962 366 D CA 0.805 54.718 54.000 -0.146 0.000 0.860 366 D CB 0.300 40.997 40.800 -0.172 0.000 0.955 366 D HN 0.250 nan 8.370 nan 0.000 0.505 367 H N -0.369 118.648 119.070 -0.088 0.000 3.239 367 H HA 0.103 4.659 4.556 -0.000 0.000 0.320 367 H C -0.761 174.067 175.328 -0.834 0.000 1.074 367 H CA -0.342 55.433 56.048 -0.455 0.000 1.553 367 H CB 0.395 29.919 29.762 -0.397 0.000 1.752 367 H HN 0.099 nan 8.280 nan 0.000 0.513 368 Y N 0.697 120.428 120.300 -0.949 0.000 2.717 368 Y HA 0.533 5.083 4.550 -0.000 0.000 0.250 368 Y C -0.216 174.932 175.900 -1.252 0.000 1.149 368 Y CA -0.626 56.851 58.100 -1.039 0.000 1.211 368 Y CB 0.824 39.069 38.460 -0.359 0.000 1.289 368 Y HN 0.288 nan 8.280 nan 0.000 0.552 369 S N -0.750 113.978 115.700 -1.620 0.000 2.550 369 S HA 0.273 4.743 4.470 -0.000 0.000 0.270 369 S C -1.089 173.276 174.600 -0.393 0.000 1.145 369 S CA -0.690 57.032 58.200 -0.797 0.000 0.852 369 S CB 0.362 63.316 63.200 -0.409 0.000 1.119 369 S HN 0.413 nan 8.310 nan 0.000 0.465 370 W N 2.542 123.996 121.300 0.257 0.000 3.047 370 W HA 0.320 4.980 4.660 -0.000 0.000 0.250 370 W C 0.912 177.614 176.519 0.304 0.000 1.314 370 W CA -0.372 57.168 57.345 0.324 0.000 1.540 370 W CB 0.230 29.947 29.460 0.429 0.000 1.127 370 W HN 0.275 nan 8.180 nan 0.000 0.679 371 M N 1.075 120.892 119.600 0.361 0.000 2.249 371 M HA 0.168 4.648 4.480 -0.000 0.000 0.351 371 M C 0.598 177.025 176.300 0.212 0.000 1.180 371 M CA -0.058 55.394 55.300 0.253 0.000 1.127 371 M CB 1.129 33.811 32.600 0.136 0.000 1.546 371 M HN -0.239 nan 8.290 nan 0.000 0.461 372 K N 1.088 121.578 120.400 0.150 0.000 2.132 372 K HA 0.433 4.753 4.320 -0.000 0.000 0.240 372 K C -0.273 176.297 176.600 -0.050 0.000 1.036 372 K CA -0.357 55.944 56.287 0.024 0.000 0.888 372 K CB 0.548 32.992 32.500 -0.093 0.000 1.071 372 K HN 0.741 nan 8.250 nan 0.000 0.502 373 A N 2.829 125.598 122.820 -0.084 0.000 2.394 373 A HA 0.357 4.677 4.320 -0.000 0.000 0.333 373 A C -2.466 174.975 177.584 -0.238 0.000 1.397 373 A CA -1.762 50.202 52.037 -0.121 0.000 0.884 373 A CB 0.172 19.141 19.000 -0.053 0.000 1.147 373 A HN 0.294 nan 8.150 nan 0.000 0.505 374 P HA 0.395 nan 4.420 nan 0.000 0.276 374 P C -0.490 176.412 177.300 -0.663 0.000 1.230 374 P CA -0.069 62.543 63.100 -0.814 0.000 0.776 374 P CB 0.816 31.563 31.700 -1.588 0.000 0.888 375 R N 2.118 122.228 120.500 -0.650 0.000 2.808 375 R HA 0.457 4.797 4.340 -0.000 0.000 0.272 375 R C -1.415 174.780 176.300 -0.174 0.000 0.995 375 R CA -0.818 55.079 56.100 -0.337 0.000 0.917 375 R CB 1.696 31.705 30.300 -0.485 0.000 1.217 375 R HN 0.481 nan 8.270 nan 0.000 0.471 376 Y N 1.589 121.913 120.300 0.041 0.000 2.426 376 Y HA 0.195 4.745 4.550 -0.000 0.000 0.325 376 Y C -0.224 175.764 175.900 0.146 0.000 0.989 376 Y CA -0.438 57.748 58.100 0.144 0.000 1.284 376 Y CB 0.624 39.186 38.460 0.171 0.000 1.104 376 Y HN 0.680 nan 8.280 nan 0.000 0.481 377 K N 4.319 124.697 120.400 -0.037 0.000 3.077 377 K HA -0.245 4.075 4.320 -0.000 0.000 0.264 377 K C 0.942 177.647 176.600 0.175 0.000 1.008 377 K CA 1.007 57.330 56.287 0.061 0.000 0.740 377 K CB -1.552 30.903 32.500 -0.075 0.000 1.273 377 K HN 1.265 nan 8.250 nan 0.000 0.477 378 G N -0.446 108.536 108.800 0.302 0.000 2.176 378 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.253 378 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.253 378 G C -0.073 174.921 174.900 0.157 0.000 0.979 378 G CA 0.775 46.028 45.100 0.255 0.000 0.641 378 G HN 0.330 nan 8.290 nan 0.000 0.530 379 K N 0.510 121.002 120.400 0.154 0.000 2.207 379 K HA 0.729 5.049 4.320 -0.000 0.000 0.255 379 K C 0.453 177.149 176.600 0.159 0.000 0.941 379 K CA -0.137 56.231 56.287 0.134 0.000 0.825 379 K CB 1.900 34.479 32.500 0.131 0.000 1.119 379 K HN 0.460 nan 8.250 nan 0.000 0.430 380 A N 3.472 126.358 122.820 0.111 0.000 2.425 380 A HA 0.382 4.702 4.320 -0.000 0.000 0.249 380 A C -0.359 177.292 177.584 0.112 0.000 1.084 380 A CA 0.043 52.160 52.037 0.134 0.000 0.781 380 A CB 0.196 19.233 19.000 0.062 0.000 1.019 380 A HN 0.535 nan 8.150 nan 0.000 0.490 381 M N 1.922 121.628 119.600 0.177 0.000 2.259 381 M HA 0.302 4.782 4.480 -0.000 0.000 0.304 381 M C -0.268 176.031 176.300 -0.001 0.000 1.019 381 M CA -0.266 55.009 55.300 -0.042 0.000 0.922 381 M CB 1.584 33.962 32.600 -0.370 0.000 1.600 381 M HN 0.947 nan 8.290 nan 0.000 0.433 382 E N 2.848 123.022 120.200 -0.043 0.000 2.313 382 E HA 0.524 4.874 4.350 -0.000 0.000 0.276 382 E C -1.030 175.611 176.600 0.068 0.000 1.031 382 E CA -0.578 55.891 56.400 0.115 0.000 0.857 382 E CB 1.220 31.035 29.700 0.192 0.000 1.040 382 E HN 0.547 nan 8.360 nan 0.000 0.408 383 V N 1.024 120.995 119.914 0.095 0.000 3.074 383 V HA 1.006 5.126 4.120 -0.000 0.000 0.314 383 V C 0.265 176.409 176.094 0.083 0.000 1.117 383 V CA 0.230 62.523 62.300 -0.012 0.000 1.014 383 V CB 1.077 32.791 31.823 -0.181 0.000 1.057 383 V HN 1.021 nan 8.190 nan 0.000 0.438 384 G N 2.036 110.858 108.800 0.038 0.000 2.343 384 G HA2 0.081 4.041 3.960 -0.000 0.000 0.562 384 G HA3 0.081 4.041 3.960 -0.000 0.000 0.562 384 G C -2.636 172.292 174.900 0.047 0.000 1.269 384 G CA -0.007 45.127 45.100 0.056 0.000 1.011 384 G HN 0.643 nan 8.290 nan 0.000 0.498 385 P HA -0.052 nan 4.420 nan 0.000 0.215 385 P C 2.281 179.552 177.300 -0.048 0.000 1.157 385 P CA 1.534 64.658 63.100 0.040 0.000 0.874 385 P CB 0.083 31.757 31.700 -0.042 0.000 0.790 386 L N -0.433 120.732 121.223 -0.097 0.000 2.042 386 L HA -0.130 4.209 4.340 -0.000 0.000 0.210 386 L C 2.233 178.964 176.870 -0.232 0.000 1.076 386 L CA 2.095 56.811 54.840 -0.207 0.000 0.749 386 L CB -1.601 40.382 42.059 -0.127 0.000 0.893 386 L HN -0.114 nan 8.230 nan 0.000 0.432 387 A N -0.429 122.358 122.820 -0.056 0.000 1.858 387 A HA -0.236 4.084 4.320 -0.000 0.000 0.216 387 A C 2.420 179.940 177.584 -0.108 0.000 1.190 387 A CA 1.884 53.907 52.037 -0.024 0.000 0.617 387 A CB -0.584 18.479 19.000 0.106 0.000 0.827 387 A HN 0.491 nan 8.150 nan 0.000 0.443 388 R N -1.114 119.328 120.500 -0.096 0.000 2.091 388 R HA -0.109 4.231 4.340 -0.000 0.000 0.238 388 R C 2.284 178.323 176.300 -0.434 0.000 1.136 388 R CA 1.850 57.846 56.100 -0.172 0.000 0.959 388 R CB -0.763 29.531 30.300 -0.011 0.000 0.856 388 R HN 0.541 nan 8.270 nan 0.000 0.437 389 T N 0.492 114.825 114.554 -0.367 0.000 2.777 389 T HA -0.085 4.265 4.350 -0.000 0.000 0.266 389 T C 1.512 175.975 174.700 -0.396 0.000 1.040 389 T CA 1.211 63.054 62.100 -0.428 0.000 1.141 389 T CB -0.219 68.488 68.868 -0.269 0.000 0.868 389 T HN 0.158 nan 8.240 nan 0.000 0.444 390 F N 0.536 120.277 119.950 -0.349 0.000 2.146 390 F HA 0.035 4.562 4.527 -0.000 0.000 0.298 390 F C 2.136 177.829 175.800 -0.179 0.000 1.096 390 F CA 0.636 58.459 58.000 -0.294 0.000 1.275 390 F CB -0.253 38.433 39.000 -0.523 0.000 1.008 390 F HN 0.089 nan 8.300 nan 0.000 0.480 391 I N -0.198 120.351 120.570 -0.036 0.000 2.179 391 I HA -0.313 3.857 4.170 -0.000 0.000 0.242 391 I C 2.627 178.668 176.117 -0.126 0.000 1.088 391 I CA 1.261 62.525 61.300 -0.060 0.000 1.357 391 I CB -0.640 37.315 38.000 -0.075 0.000 1.051 391 I HN 0.081 nan 8.210 nan 0.000 0.409 392 A N -0.238 122.387 122.820 -0.325 0.000 1.933 392 A HA -0.280 4.040 4.320 -0.000 0.000 0.218 392 A C 2.297 179.796 177.584 -0.142 0.000 1.175 392 A CA 1.575 53.370 52.037 -0.404 0.000 0.628 392 A CB -1.006 17.276 19.000 -1.196 0.000 0.814 392 A HN 0.504 nan 8.150 nan 0.000 0.444 393 Y N 0.482 120.662 120.300 -0.200 0.000 2.163 393 Y HA -0.049 4.500 4.550 -0.000 0.000 0.288 393 Y C 2.708 178.597 175.900 -0.018 0.000 1.136 393 Y CA 1.083 59.150 58.100 -0.056 0.000 1.147 393 Y CB -0.549 37.886 38.460 -0.042 0.000 0.987 393 Y HN 0.311 nan 8.280 nan 0.000 0.509 394 A N 0.265 123.123 122.820 0.063 0.000 1.908 394 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 394 A C 2.100 179.648 177.584 -0.061 0.000 1.181 394 A CA 2.059 54.099 52.037 0.006 0.000 0.627 394 A CB -0.525 18.507 19.000 0.052 0.000 0.818 394 A HN 0.512 nan 8.150 nan 0.000 0.445 395 K N -1.591 118.775 120.400 -0.055 0.000 2.459 395 K HA 0.211 4.530 4.320 -0.000 0.000 0.193 395 K C 1.010 177.571 176.600 -0.065 0.000 1.030 395 K CA 0.476 56.733 56.287 -0.049 0.000 1.026 395 K CB -0.040 32.442 32.500 -0.031 0.000 0.809 395 K HN 0.698 nan 8.250 nan 0.000 0.504 396 G N 1.837 110.571 108.800 -0.110 0.000 2.136 396 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.242 396 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.242 396 G C -0.059 174.821 174.900 -0.033 0.000 0.989 396 G CA -0.202 44.833 45.100 -0.108 0.000 0.682 396 G HN 0.310 nan 8.290 nan 0.000 0.522 397 Q N 0.241 120.043 119.800 0.003 0.000 2.339 397 Q HA 0.019 4.359 4.340 -0.000 0.000 0.308 397 Q C -0.687 175.375 176.000 0.102 0.000 1.097 397 Q CA -0.046 55.804 55.803 0.077 0.000 1.007 397 Q CB 0.816 29.621 28.738 0.111 0.000 1.051 397 Q HN 0.292 nan 8.270 nan 0.000 0.381 398 P HA -0.149 nan 4.420 nan 0.000 0.215 398 P C 0.470 177.794 177.300 0.040 0.000 1.157 398 P CA 1.099 64.224 63.100 0.041 0.000 0.868 398 P CB 0.312 32.027 31.700 0.025 0.000 0.788 399 D N -1.391 119.035 120.400 0.043 0.000 2.097 399 D HA -0.115 4.525 4.640 -0.000 0.000 0.195 399 D C 1.865 178.101 176.300 -0.106 0.000 0.989 399 D CA 1.091 55.058 54.000 -0.055 0.000 0.827 399 D CB -0.916 39.823 40.800 -0.101 0.000 0.966 399 D HN 0.126 nan 8.370 nan 0.000 0.456 400 F N 1.035 120.943 119.950 -0.070 0.000 2.134 400 F HA -0.166 4.361 4.527 -0.000 0.000 0.299 400 F C 2.348 178.176 175.800 0.046 0.000 1.097 400 F CA 1.002 58.964 58.000 -0.063 0.000 1.264 400 F CB -0.157 38.795 39.000 -0.080 0.000 1.001 400 F HN -0.151 nan 8.300 nan 0.000 0.479 401 K N 1.062 121.606 120.400 0.241 0.000 2.057 401 K HA -0.216 4.104 4.320 -0.000 0.000 0.207 401 K C 2.002 178.692 176.600 0.151 0.000 1.049 401 K CA 1.653 58.070 56.287 0.216 0.000 0.931 401 K CB -0.350 32.163 32.500 0.023 0.000 0.714 401 K HN 0.163 nan 8.250 nan 0.000 0.440 402 K N -0.477 119.951 120.400 0.046 0.000 2.057 402 K HA -0.064 4.256 4.320 -0.000 0.000 0.206 402 K C 1.727 178.301 176.600 -0.043 0.000 1.050 402 K CA 1.424 57.707 56.287 -0.007 0.000 0.935 402 K CB 0.018 32.494 32.500 -0.040 0.000 0.715 402 K HN 0.012 nan 8.250 nan 0.000 0.439 403 V N 0.469 120.328 119.914 -0.090 0.000 2.379 403 V HA -0.173 3.947 4.120 -0.000 0.000 0.245 403 V C 2.294 178.305 176.094 -0.139 0.000 1.044 403 V CA 1.255 63.465 62.300 -0.150 0.000 1.036 403 V CB -0.048 31.626 31.823 -0.249 0.000 0.664 403 V HN 0.146 nan 8.190 nan 0.000 0.453 404 V N 0.392 120.243 119.914 -0.105 0.000 2.261 404 V HA -0.272 3.847 4.120 -0.000 0.000 0.246 404 V C 2.356 178.364 176.094 -0.143 0.000 1.047 404 V CA 2.330 64.523 62.300 -0.178 0.000 1.015 404 V CB -0.700 30.952 31.823 -0.285 0.000 0.642 404 V HN 0.535 nan 8.190 nan 0.000 0.446 405 D N -0.682 119.708 120.400 -0.017 0.000 2.149 405 D HA -0.219 4.421 4.640 -0.000 0.000 0.198 405 D C 1.984 178.256 176.300 -0.046 0.000 0.990 405 D CA 1.482 55.485 54.000 0.005 0.000 0.839 405 D CB -0.297 40.551 40.800 0.081 0.000 0.948 405 D HN 0.352 nan 8.370 nan 0.000 0.460 406 M N 0.272 119.833 119.600 -0.066 0.000 2.108 406 M HA -0.134 4.346 4.480 -0.000 0.000 0.261 406 M C 1.905 178.141 176.300 -0.107 0.000 1.066 406 M CA 1.233 56.482 55.300 -0.085 0.000 1.107 406 M CB -0.353 32.187 32.600 -0.101 0.000 1.356 406 M HN -0.135 nan 8.290 nan 0.000 0.406 407 V N -0.041 119.792 119.914 -0.135 0.000 2.379 407 V HA -0.244 3.876 4.120 -0.000 0.000 0.245 407 V C 2.416 178.430 176.094 -0.132 0.000 1.044 407 V CA 1.597 63.805 62.300 -0.153 0.000 1.036 407 V CB -0.753 30.955 31.823 -0.193 0.000 0.664 407 V HN 0.521 nan 8.190 nan 0.000 0.453 408 L N 0.440 121.585 121.223 -0.129 0.000 2.079 408 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 408 L C 2.605 179.431 176.870 -0.073 0.000 1.081 408 L CA 1.839 56.618 54.840 -0.102 0.000 0.752 408 L CB -1.206 40.794 42.059 -0.099 0.000 0.896 408 L HN 0.491 nan 8.230 nan 0.000 0.433 409 G N 0.077 108.836 108.800 -0.067 0.000 2.402 409 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.216 409 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.216 409 G C 1.701 176.563 174.900 -0.064 0.000 1.162 409 G CA 0.404 45.471 45.100 -0.055 0.000 0.777 409 G HN 0.305 nan 8.290 nan 0.000 0.539 410 K N -0.067 120.285 120.400 -0.079 0.000 2.097 410 K HA 0.119 4.438 4.320 -0.000 0.000 0.205 410 K C 2.235 178.782 176.600 -0.087 0.000 1.050 410 K CA 0.668 56.903 56.287 -0.086 0.000 0.938 410 K CB -0.209 32.231 32.500 -0.100 0.000 0.718 410 K HN 0.255 nan 8.250 nan 0.000 0.442 411 L N 0.625 121.794 121.223 -0.089 0.000 2.554 411 L HA 0.056 4.396 4.340 -0.000 0.000 0.226 411 L C 0.183 177.015 176.870 -0.063 0.000 1.137 411 L CA -0.092 54.699 54.840 -0.082 0.000 0.863 411 L CB -0.138 41.871 42.059 -0.082 0.000 0.985 411 L HN 0.050 nan 8.230 nan 0.000 0.451 412 S N 0.156 115.822 115.700 -0.057 0.000 3.631 412 S HA -0.116 4.353 4.470 -0.000 0.000 0.366 412 S C -0.028 174.554 174.600 -0.030 0.000 0.993 412 S CA 0.722 58.897 58.200 -0.041 0.000 1.167 412 S CB -1.706 61.470 63.200 -0.041 0.000 0.909 412 S HN 0.421 nan 8.310 nan 0.000 0.478 413 V N -2.273 117.622 119.914 -0.032 0.000 3.102 413 V HA 0.988 5.108 4.120 -0.000 0.000 0.312 413 V C -2.454 173.630 176.094 -0.017 0.000 1.135 413 V CA -2.378 59.911 62.300 -0.018 0.000 1.022 413 V CB 2.120 33.934 31.823 -0.016 0.000 1.056 413 V HN 0.062 nan 8.190 nan 0.000 0.436 414 P HA 0.419 nan 4.420 nan 0.000 0.279 414 P C 0.601 177.907 177.300 0.010 0.000 1.252 414 P CA 0.004 63.113 63.100 0.015 0.000 0.811 414 P CB 1.796 33.518 31.700 0.037 0.000 1.035 415 A N 1.684 124.512 122.820 0.013 0.000 2.024 415 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 415 A C 1.915 179.545 177.584 0.077 0.000 1.164 415 A CA 2.385 54.408 52.037 -0.023 0.000 0.643 415 A CB -1.962 17.032 19.000 -0.010 0.000 0.806 415 A HN 0.702 nan 8.150 nan 0.000 0.451 416 T N -2.110 112.534 114.554 0.149 0.000 2.929 416 T HA 0.097 4.446 4.350 -0.000 0.000 0.271 416 T C 1.756 176.612 174.700 0.260 0.000 1.085 416 T CA 1.229 63.499 62.100 0.284 0.000 1.125 416 T CB -0.461 68.535 68.868 0.214 0.000 0.874 416 T HN 0.581 nan 8.240 nan 0.000 0.494 417 A N 1.254 124.152 122.820 0.130 0.000 2.172 417 A HA 0.263 4.583 4.320 -0.000 0.000 0.216 417 A C 2.231 179.868 177.584 0.088 0.000 1.154 417 A CA 0.632 52.731 52.037 0.103 0.000 0.701 417 A CB -0.814 18.218 19.000 0.053 0.000 0.789 417 A HN 0.590 nan 8.150 nan 0.000 0.465 418 L N -0.576 120.669 121.223 0.035 0.000 2.478 418 L HA -0.031 4.309 4.340 -0.000 0.000 0.223 418 L C 0.470 177.383 176.870 0.071 0.000 1.140 418 L CA 0.111 54.906 54.840 -0.076 0.000 0.842 418 L CB -0.464 41.367 42.059 -0.380 0.000 0.953 418 L HN 0.417 nan 8.230 nan 0.000 0.452 419 H N 1.362 120.639 119.070 0.345 0.000 3.195 419 H HA 0.218 4.774 4.556 -0.000 0.000 0.241 419 H C 0.182 175.636 175.328 0.210 0.000 1.823 419 H CA 0.294 56.543 56.048 0.335 0.000 1.466 419 H CB -0.239 29.658 29.762 0.225 0.000 1.819 419 H HN 0.280 nan 8.280 nan 0.000 0.575 420 S N -0.560 115.298 115.700 0.263 0.000 2.643 420 S HA 0.068 4.537 4.470 -0.000 0.000 0.266 420 S C 0.786 175.503 174.600 0.194 0.000 1.130 420 S CA -0.734 57.596 58.200 0.216 0.000 0.817 420 S CB 1.325 64.643 63.200 0.197 0.000 1.107 420 S HN 0.164 nan 8.310 nan 0.000 0.471 421 T N 0.864 115.587 114.554 0.282 0.000 2.821 421 T HA -0.025 4.325 4.350 -0.000 0.000 0.267 421 T C 1.686 176.563 174.700 0.296 0.000 1.046 421 T CA 1.718 64.019 62.100 0.334 0.000 1.139 421 T CB -0.560 68.680 68.868 0.620 0.000 0.871 421 T HN 0.495 nan 8.240 nan 0.000 0.454 422 L N 1.220 122.623 121.223 0.301 0.000 2.056 422 L HA 0.193 4.533 4.340 -0.000 0.000 0.207 422 L C 2.533 179.419 176.870 0.025 0.000 1.078 422 L CA 1.854 56.780 54.840 0.143 0.000 0.749 422 L CB -1.212 40.955 42.059 0.180 0.000 0.901 422 L HN 0.261 nan 8.230 nan 0.000 0.433 423 G N -0.743 108.074 108.800 0.029 0.000 2.476 423 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.218 423 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.218 423 G C 1.838 176.673 174.900 -0.107 0.000 1.164 423 G CA 0.922 45.977 45.100 -0.076 0.000 0.768 423 G HN 0.395 nan 8.290 nan 0.000 0.560 424 R N -0.343 120.130 120.500 -0.045 0.000 2.081 424 R HA -0.075 4.265 4.340 -0.000 0.000 0.235 424 R C 2.799 179.071 176.300 -0.047 0.000 1.131 424 R CA 1.918 57.967 56.100 -0.085 0.000 0.960 424 R CB -0.476 29.738 30.300 -0.143 0.000 0.856 424 R HN 0.363 nan 8.270 nan 0.000 0.436 425 T N 0.419 114.997 114.554 0.040 0.000 2.674 425 T HA -0.134 4.215 4.350 -0.000 0.000 0.265 425 T C 1.826 176.494 174.700 -0.053 0.000 1.039 425 T CA 1.434 63.588 62.100 0.089 0.000 1.150 425 T CB -0.372 68.553 68.868 0.097 0.000 0.864 425 T HN 0.442 nan 8.240 nan 0.000 0.427 426 A N 1.457 124.198 122.820 -0.132 0.000 1.933 426 A HA 0.140 4.460 4.320 -0.000 0.000 0.218 426 A C 2.643 180.092 177.584 -0.225 0.000 1.175 426 A CA 1.835 53.746 52.037 -0.211 0.000 0.628 426 A CB -1.092 17.781 19.000 -0.211 0.000 0.814 426 A HN 0.514 nan 8.150 nan 0.000 0.444 427 A N -0.185 122.512 122.820 -0.205 0.000 1.940 427 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 427 A C 2.224 179.716 177.584 -0.153 0.000 1.176 427 A CA 1.855 53.771 52.037 -0.201 0.000 0.631 427 A CB -0.496 18.371 19.000 -0.221 0.000 0.814 427 A HN 0.575 nan 8.150 nan 0.000 0.446 428 R N -0.660 119.739 120.500 -0.167 0.000 2.096 428 R HA -0.102 4.238 4.340 -0.000 0.000 0.235 428 R C 2.207 178.410 176.300 -0.162 0.000 1.127 428 R CA 1.590 57.541 56.100 -0.248 0.000 0.968 428 R CB -0.610 29.540 30.300 -0.250 0.000 0.861 428 R HN 0.462 nan 8.270 nan 0.000 0.440 429 G N 0.710 109.362 108.800 -0.247 0.000 2.394 429 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.215 429 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.215 429 G C 1.441 176.128 174.900 -0.354 0.000 1.165 429 G CA 0.716 45.496 45.100 -0.533 0.000 0.784 429 G HN 0.249 nan 8.290 nan 0.000 0.535 430 I N 1.556 121.955 120.570 -0.285 0.000 2.118 430 I HA -0.280 3.890 4.170 -0.000 0.000 0.241 430 I C 2.979 178.951 176.117 -0.241 0.000 1.070 430 I CA 2.084 63.221 61.300 -0.271 0.000 1.327 430 I CB -0.288 37.562 38.000 -0.250 0.000 1.034 430 I HN 0.492 nan 8.210 nan 0.000 0.405 431 E N 0.398 120.548 120.200 -0.082 0.000 2.106 431 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 431 E C 1.924 178.681 176.600 0.262 0.000 0.984 431 E CA 1.788 58.230 56.400 0.070 0.000 0.806 431 E CB -0.567 29.381 29.700 0.415 0.000 0.750 431 E HN 0.383 nan 8.360 nan 0.000 0.458 432 T N 1.333 116.068 114.554 0.302 0.000 2.665 432 T HA -0.213 4.137 4.350 -0.000 0.000 0.268 432 T C 2.044 176.811 174.700 0.112 0.000 1.035 432 T CA 1.910 64.199 62.100 0.314 0.000 1.151 432 T CB -0.414 68.675 68.868 0.367 0.000 0.862 432 T HN 0.449 nan 8.240 nan 0.000 0.438 433 A N 0.740 123.535 122.820 -0.042 0.000 1.930 433 A HA 0.021 4.341 4.320 -0.000 0.000 0.217 433 A C 2.313 179.822 177.584 -0.126 0.000 1.175 433 A CA 1.105 53.074 52.037 -0.114 0.000 0.627 433 A CB -0.693 18.186 19.000 -0.201 0.000 0.815 433 A HN 0.537 nan 8.150 nan 0.000 0.443 434 I N -0.748 119.730 120.570 -0.153 0.000 2.252 434 I HA -0.184 3.986 4.170 -0.000 0.000 0.245 434 I C 2.357 178.430 176.117 -0.073 0.000 1.102 434 I CA 0.906 62.100 61.300 -0.177 0.000 1.385 434 I CB -0.276 37.484 38.000 -0.400 0.000 1.064 434 I HN 0.147 nan 8.210 nan 0.000 0.414 435 V N 0.236 120.197 119.914 0.078 0.000 2.295 435 V HA -0.355 3.765 4.120 -0.000 0.000 0.246 435 V C 2.636 178.645 176.094 -0.142 0.000 1.049 435 V CA 1.930 64.221 62.300 -0.015 0.000 1.024 435 V CB -0.543 31.367 31.823 0.145 0.000 0.648 435 V HN 0.574 nan 8.190 nan 0.000 0.447 436 c N 0.193 118.757 118.600 -0.059 0.000 2.385 436 c HA -0.224 4.346 4.570 -0.000 0.000 0.275 436 c C 3.006 176.989 174.090 -0.178 0.000 1.207 436 c CA 1.132 57.407 56.329 -0.090 0.000 1.760 436 c CB -1.336 41.149 42.510 -0.042 0.000 2.051 436 c HN 0.649 nan 8.230 nan 0.000 0.467 437 A N -0.059 122.637 122.820 -0.206 0.000 2.172 437 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 437 A C 1.773 179.148 177.584 -0.347 0.000 1.154 437 A CA 1.384 53.281 52.037 -0.232 0.000 0.701 437 A CB -0.368 18.510 19.000 -0.203 0.000 0.789 437 A HN 0.746 nan 8.150 nan 0.000 0.465 438 N N -1.096 117.280 118.700 -0.541 0.000 2.250 438 N HA 0.063 4.802 4.740 -0.000 0.000 0.190 438 N C 1.341 176.289 175.510 -0.936 0.000 1.116 438 N CA 0.161 52.645 53.050 -0.944 0.000 0.881 438 N CB -0.005 37.521 38.487 -1.603 0.000 1.006 438 N HN 0.268 nan 8.380 nan 0.000 0.491 439 M N 1.320 120.616 119.600 -0.506 0.000 2.073 439 M HA -0.182 4.298 4.480 -0.000 0.000 0.258 439 M C 2.144 178.379 176.300 -0.108 0.000 1.070 439 M CA 1.543 56.736 55.300 -0.178 0.000 1.103 439 M CB -1.157 31.372 32.600 -0.119 0.000 1.321 439 M HN 0.208 nan 8.290 nan 0.000 0.405 440 E N 0.403 120.515 120.200 -0.147 0.000 2.085 440 E HA -0.234 4.116 4.350 -0.000 0.000 0.194 440 E C 2.119 178.683 176.600 -0.061 0.000 0.994 440 E CA 1.600 57.952 56.400 -0.079 0.000 0.801 440 E CB -0.048 29.601 29.700 -0.085 0.000 0.743 440 E HN 0.441 nan 8.360 nan 0.000 0.453 441 K N -0.311 119.998 120.400 -0.150 0.000 2.057 441 K HA -0.161 4.159 4.320 -0.000 0.000 0.207 441 K C 1.806 178.431 176.600 0.041 0.000 1.049 441 K CA 1.468 57.691 56.287 -0.107 0.000 0.931 441 K CB -0.160 32.217 32.500 -0.206 0.000 0.714 441 K HN 0.259 nan 8.250 nan 0.000 0.440 442 W N 1.215 122.493 121.300 -0.036 0.000 2.381 442 W HA -0.038 4.622 4.660 -0.000 0.000 0.301 442 W C 1.955 178.484 176.519 0.016 0.000 1.205 442 W CA 0.428 57.760 57.345 -0.022 0.000 1.285 442 W CB -0.772 28.654 29.460 -0.055 0.000 1.133 442 W HN 0.055 nan 8.180 nan 0.000 0.521 443 I N 0.441 121.166 120.570 0.259 0.000 2.226 443 I HA -0.331 3.839 4.170 -0.000 0.000 0.245 443 I C 2.455 178.648 176.117 0.127 0.000 1.100 443 I CA 1.700 63.120 61.300 0.201 0.000 1.374 443 I CB -0.646 37.476 38.000 0.202 0.000 1.057 443 I HN -0.112 nan 8.210 nan 0.000 0.413 444 K N 1.273 121.730 120.400 0.095 0.000 2.097 444 K HA -0.263 4.057 4.320 -0.000 0.000 0.206 444 K C 2.125 178.767 176.600 0.071 0.000 1.049 444 K CA 1.767 58.093 56.287 0.065 0.000 0.933 444 K CB -0.105 32.419 32.500 0.040 0.000 0.717 444 K HN 0.340 nan 8.250 nan 0.000 0.442 445 E N 0.246 120.505 120.200 0.097 0.000 2.072 445 E HA -0.235 4.115 4.350 -0.000 0.000 0.191 445 E C 2.048 178.690 176.600 0.070 0.000 0.985 445 E CA 1.251 57.705 56.400 0.090 0.000 0.801 445 E CB -0.085 29.691 29.700 0.126 0.000 0.750 445 E HN 0.410 nan 8.360 nan 0.000 0.452 446 M N 0.126 119.770 119.600 0.073 0.000 2.156 446 M HA -0.043 4.436 4.480 -0.000 0.000 0.264 446 M C 2.254 178.575 176.300 0.036 0.000 1.067 446 M CA 1.419 56.745 55.300 0.043 0.000 1.131 446 M CB -0.031 32.584 32.600 0.025 0.000 1.368 446 M HN 0.239 nan 8.290 nan 0.000 0.416 447 A N 0.746 123.593 122.820 0.044 0.000 1.873 447 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 447 A C 1.647 179.252 177.584 0.034 0.000 1.193 447 A CA 2.348 54.407 52.037 0.037 0.000 0.629 447 A CB -1.090 17.936 19.000 0.043 0.000 0.826 447 A HN 0.532 nan 8.150 nan 0.000 0.447 448 D N -0.675 119.747 120.400 0.037 0.000 2.084 448 D HA -0.123 4.517 4.640 -0.000 0.000 0.194 448 D C 2.331 178.650 176.300 0.032 0.000 0.990 448 D CA 1.718 55.738 54.000 0.032 0.000 0.826 448 D CB -0.640 40.180 40.800 0.033 0.000 0.971 448 D HN 0.400 nan 8.370 nan 0.000 0.453 449 S N -0.215 115.506 115.700 0.035 0.000 2.359 449 S HA -0.134 4.336 4.470 -0.000 0.000 0.224 449 S C 2.131 176.751 174.600 0.034 0.000 1.035 449 S CA 2.019 60.239 58.200 0.033 0.000 1.018 449 S CB -0.696 62.524 63.200 0.033 0.000 0.876 449 S HN 0.330 nan 8.310 nan 0.000 0.448 450 G N 0.845 109.666 108.800 0.034 0.000 2.421 450 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.216 450 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.216 450 G C 1.748 176.672 174.900 0.040 0.000 1.171 450 G CA 1.070 46.194 45.100 0.040 0.000 0.775 450 G HN 0.741 nan 8.290 nan 0.000 0.543 451 A N 1.002 123.842 122.820 0.033 0.000 1.917 451 A HA -0.135 4.184 4.320 -0.000 0.000 0.219 451 A C 2.311 179.911 177.584 0.027 0.000 1.182 451 A CA 2.242 54.296 52.037 0.028 0.000 0.633 451 A CB -0.418 18.597 19.000 0.024 0.000 0.819 451 A HN 0.432 nan 8.150 nan 0.000 0.448 452 K N -1.170 119.246 120.400 0.028 0.000 2.148 452 K HA -0.019 4.301 4.320 -0.000 0.000 0.204 452 K C -0.182 176.434 176.600 0.028 0.000 1.050 452 K CA 1.089 57.391 56.287 0.025 0.000 0.942 452 K CB 0.014 32.529 32.500 0.025 0.000 0.724 452 K HN 0.670 nan 8.250 nan 0.000 0.446 453 D N -0.705 119.716 120.400 0.036 0.000 2.530 453 D HA -0.026 4.614 4.640 -0.000 0.000 0.193 453 D C -1.289 175.048 176.300 0.061 0.000 1.243 453 D CA -0.630 53.395 54.000 0.042 0.000 0.803 453 D CB 0.353 41.176 40.800 0.038 0.000 1.955 453 D HN 0.163 nan 8.370 nan 0.000 0.529 454 N N 1.701 120.449 118.700 0.080 0.000 2.380 454 N HA 0.145 4.885 4.740 -0.000 0.000 0.255 454 N C -0.562 175.077 175.510 0.216 0.000 1.158 454 N CA -0.619 52.513 53.050 0.137 0.000 0.878 454 N CB 0.605 39.184 38.487 0.155 0.000 1.138 454 N HN 0.152 nan 8.380 nan 0.000 0.509 455 T N 1.233 115.878 114.554 0.152 0.000 2.867 455 T HA 0.009 4.359 4.350 -0.000 0.000 0.297 455 T C 0.604 175.389 174.700 0.141 0.000 0.989 455 T CA 0.015 62.216 62.100 0.168 0.000 1.159 455 T CB 1.147 70.075 68.868 0.100 0.000 0.928 455 T HN 0.271 nan 8.240 nan 0.000 0.538 456 L N 3.356 124.666 121.223 0.145 0.000 3.039 456 L HA 0.463 4.803 4.340 -0.000 0.000 0.269 456 L C 0.050 176.893 176.870 -0.045 0.000 1.169 456 L CA 0.189 55.007 54.840 -0.037 0.000 0.986 456 L CB 0.674 42.533 42.059 -0.333 0.000 1.377 456 L HN 0.751 nan 8.230 nan 0.000 0.575 457 C N 0.142 119.466 119.300 0.040 0.000 2.783 457 C HA 0.865 5.325 4.460 -0.000 0.000 0.312 457 C C -0.089 174.963 174.990 0.103 0.000 1.182 457 C CA -0.223 58.827 59.018 0.053 0.000 1.432 457 C CB 0.743 28.526 27.740 0.072 0.000 1.933 457 C HN 0.455 nan 8.230 nan 0.000 0.473 458 A N 4.494 127.380 122.820 0.110 0.000 2.311 458 A HA 0.755 5.075 4.320 -0.000 0.000 0.334 458 A C -0.586 177.136 177.584 0.229 0.000 1.139 458 A CA -0.559 51.559 52.037 0.134 0.000 0.830 458 A CB 0.664 19.722 19.000 0.097 0.000 1.234 458 A HN 0.899 nan 8.150 nan 0.000 0.483 459 K N 1.223 121.731 120.400 0.180 0.000 2.295 459 K HA 0.349 4.669 4.320 -0.000 0.000 0.270 459 K C -0.653 176.112 176.600 0.276 0.000 1.011 459 K CA 0.221 56.608 56.287 0.167 0.000 0.953 459 K CB 0.624 33.161 32.500 0.061 0.000 0.956 459 K HN 0.774 nan 8.250 nan 0.000 0.477 460 W N 0.581 121.887 121.300 0.011 0.000 3.005 460 W HA 0.404 5.064 4.660 -0.000 0.000 0.343 460 W C -1.436 175.088 176.519 0.010 0.000 1.243 460 W CA -0.735 56.614 57.345 0.008 0.000 1.186 460 W CB 0.741 30.204 29.460 0.006 0.000 1.453 460 W HN 0.458 nan 8.180 nan 0.000 0.575 461 E N 1.420 121.729 120.200 0.181 0.000 2.272 461 E HA 0.354 4.704 4.350 -0.000 0.000 0.269 461 E C -1.111 175.620 176.600 0.217 0.000 0.877 461 E CA -1.364 55.022 56.400 -0.023 0.000 0.755 461 E CB 3.153 32.856 29.700 0.007 0.000 1.192 461 E HN 0.279 nan 8.360 nan 0.000 0.422 462 M N 4.741 124.394 119.600 0.089 0.000 2.143 462 M HA 0.219 4.699 4.480 -0.000 0.000 0.348 462 M C -2.416 173.966 176.300 0.136 0.000 1.375 462 M CA -1.846 53.605 55.300 0.251 0.000 1.124 462 M CB 0.375 33.095 32.600 0.200 0.000 1.669 462 M HN 0.169 nan 8.290 nan 0.000 0.469 463 P HA 0.192 nan 4.420 nan 0.000 0.276 463 P C -0.389 176.950 177.300 0.065 0.000 1.244 463 P CA -0.145 63.004 63.100 0.082 0.000 0.801 463 P CB 0.903 32.647 31.700 0.074 0.000 1.006 464 E N 1.039 121.264 120.200 0.042 0.000 2.028 464 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 464 E C 0.261 176.879 176.600 0.031 0.000 0.988 464 E CA 1.317 57.737 56.400 0.033 0.000 0.799 464 E CB 0.143 29.856 29.700 0.022 0.000 0.755 464 E HN 0.607 nan 8.360 nan 0.000 0.447 465 E N -0.712 119.501 120.200 0.023 0.000 2.293 465 E HA 0.516 4.866 4.350 -0.000 0.000 0.270 465 E C -1.498 175.105 176.600 0.006 0.000 0.879 465 E CA -0.608 55.800 56.400 0.013 0.000 0.756 465 E CB 1.671 31.372 29.700 0.002 0.000 1.208 465 E HN 0.096 nan 8.360 nan 0.000 0.428 466 S N 2.029 117.725 115.700 -0.007 0.000 2.701 466 S HA 0.379 4.849 4.470 -0.000 0.000 0.267 466 S C -2.186 172.385 174.600 -0.048 0.000 1.034 466 S CA -0.741 57.445 58.200 -0.023 0.000 0.867 466 S CB 0.669 63.872 63.200 0.006 0.000 1.123 466 S HN 0.610 nan 8.310 nan 0.000 0.470 467 K N 0.396 120.748 120.400 -0.081 0.000 2.556 467 K HA 0.828 5.148 4.320 -0.000 0.000 0.274 467 K C -0.461 176.128 176.600 -0.018 0.000 0.966 467 K CA -0.768 55.456 56.287 -0.105 0.000 0.865 467 K CB 1.417 33.674 32.500 -0.404 0.000 1.444 467 K HN 1.057 nan 8.250 nan 0.000 0.433 468 G N 0.149 109.031 108.800 0.137 0.000 2.646 468 G HA2 0.519 4.479 3.960 -0.000 0.000 0.291 468 G HA3 0.519 4.479 3.960 -0.000 0.000 0.291 468 G C -2.064 172.909 174.900 0.122 0.000 1.445 468 G CA -0.612 44.559 45.100 0.118 0.000 0.814 468 G HN 0.563 nan 8.290 nan 0.000 0.495 469 V N -0.074 119.780 119.914 -0.100 0.000 2.760 469 V HA 0.891 5.011 4.120 -0.000 0.000 0.309 469 V C 0.110 175.908 176.094 -0.492 0.000 1.077 469 V CA 0.142 62.150 62.300 -0.488 0.000 0.910 469 V CB 1.884 33.190 31.823 -0.862 0.000 1.008 469 V HN 1.502 nan 8.190 nan 0.000 0.424 470 G N 6.591 115.064 108.800 -0.545 0.000 2.384 470 G HA2 0.628 4.588 3.960 -0.000 0.000 0.316 470 G HA3 0.628 4.588 3.960 -0.000 0.000 0.316 470 G C -1.049 173.510 174.900 -0.569 0.000 1.160 470 G CA -0.595 44.225 45.100 -0.467 0.000 0.936 470 G HN 0.778 nan 8.290 nan 0.000 0.455 471 L N 1.723 122.583 121.223 -0.604 0.000 2.309 471 L HA 0.807 5.147 4.340 -0.000 0.000 0.282 471 L C 0.447 177.013 176.870 -0.507 0.000 1.036 471 L CA -0.664 53.822 54.840 -0.590 0.000 0.806 471 L CB 1.818 43.455 42.059 -0.703 0.000 1.220 471 L HN 0.611 nan 8.230 nan 0.000 0.429 472 A N 1.714 124.426 122.820 -0.180 0.000 2.587 472 A HA 0.595 4.915 4.320 -0.000 0.000 0.293 472 A C -1.690 175.954 177.584 0.100 0.000 1.087 472 A CA -0.576 51.389 52.037 -0.120 0.000 0.692 472 A CB 1.738 20.604 19.000 -0.224 0.000 1.291 472 A HN 0.648 nan 8.150 nan 0.000 0.407 473 D N 1.094 121.548 120.400 0.091 0.000 2.473 473 D HA 0.576 5.216 4.640 -0.000 0.000 0.226 473 D C 0.525 176.904 176.300 0.131 0.000 1.089 473 D CA 0.447 54.513 54.000 0.110 0.000 0.883 473 D CB 1.225 42.119 40.800 0.156 0.000 1.029 473 D HN 0.832 nan 8.370 nan 0.000 0.517 474 A N 3.830 126.685 122.820 0.058 0.000 2.310 474 A HA 0.334 4.654 4.320 -0.000 0.000 0.260 474 A C -1.251 176.299 177.584 -0.056 0.000 1.112 474 A CA -0.788 51.269 52.037 0.033 0.000 0.804 474 A CB 0.087 19.058 19.000 -0.049 0.000 1.081 474 A HN 0.391 nan 8.150 nan 0.000 0.499 475 P HA -0.115 nan 4.420 nan 0.000 0.218 475 P C 1.059 178.309 177.300 -0.084 0.000 1.148 475 P CA 1.437 64.233 63.100 -0.506 0.000 0.822 475 P CB 0.062 31.517 31.700 -0.408 0.000 0.784 476 R N -1.630 118.866 120.500 -0.008 0.000 2.297 476 R HA 0.357 4.697 4.340 -0.000 0.000 0.197 476 R C 1.125 177.464 176.300 0.065 0.000 0.943 476 R CA 0.525 56.658 56.100 0.054 0.000 1.038 476 R CB 0.071 30.426 30.300 0.091 0.000 0.957 476 R HN 0.230 nan 8.270 nan 0.000 0.484 477 G N -0.085 108.738 108.800 0.039 0.000 2.265 477 G HA2 0.032 3.992 3.960 -0.000 0.000 0.246 477 G HA3 0.032 3.992 3.960 -0.000 0.000 0.246 477 G C -1.413 173.470 174.900 -0.028 0.000 1.299 477 G CA -0.598 44.509 45.100 0.012 0.000 1.117 477 G HN 0.181 nan 8.290 nan 0.000 0.485 478 A N -0.214 122.493 122.820 -0.189 0.000 2.476 478 A HA 0.579 4.899 4.320 -0.000 0.000 0.275 478 A C -0.059 177.520 177.584 -0.009 0.000 1.133 478 A CA 0.629 52.418 52.037 -0.413 0.000 0.797 478 A CB 0.259 18.478 19.000 -1.302 0.000 1.081 478 A HN 2.032 nan 8.150 nan 0.000 0.510 479 L N 3.658 125.016 121.223 0.224 0.000 2.341 479 L HA 0.757 5.096 4.340 -0.000 0.000 0.278 479 L C -0.031 177.064 176.870 0.374 0.000 1.005 479 L CA 0.160 55.170 54.840 0.284 0.000 0.818 479 L CB 2.004 44.089 42.059 0.044 0.000 1.259 479 L HN 0.644 nan 8.230 nan 0.000 0.418 480 S N 2.376 118.306 115.700 0.383 0.000 2.547 480 S HA 0.602 5.071 4.470 -0.000 0.000 0.281 480 S C -0.862 173.796 174.600 0.098 0.000 1.118 480 S CA -0.752 57.465 58.200 0.028 0.000 0.947 480 S CB 0.923 64.018 63.200 -0.175 0.000 1.053 480 S HN 0.762 nan 8.310 nan 0.000 0.482 481 H N 0.650 119.485 119.070 -0.391 0.000 2.472 481 H HA 0.459 5.015 4.556 -0.000 0.000 0.338 481 H C -1.439 173.485 175.328 -0.674 0.000 1.133 481 H CA -0.707 55.144 56.048 -0.329 0.000 1.216 481 H CB 1.199 30.892 29.762 -0.114 0.000 1.497 481 H HN 0.623 nan 8.280 nan 0.000 0.500 482 W N 3.856 124.824 121.300 -0.553 0.000 2.830 482 W HA 0.441 5.101 4.660 -0.000 0.000 0.335 482 W C -0.809 175.381 176.519 -0.548 0.000 1.043 482 W CA -0.482 56.583 57.345 -0.468 0.000 1.239 482 W CB 1.160 30.343 29.460 -0.462 0.000 1.378 482 W HN 0.313 nan 8.180 nan 0.000 0.456 483 I N 3.480 124.002 120.570 -0.079 0.000 2.530 483 I HA 0.541 4.711 4.170 -0.000 0.000 0.297 483 I C -0.378 175.823 176.117 0.140 0.000 1.011 483 I CA -1.213 60.035 61.300 -0.086 0.000 1.107 483 I CB 1.222 39.185 38.000 -0.063 0.000 1.285 483 I HN 0.354 nan 8.210 nan 0.000 0.436 484 R N 7.793 128.366 120.500 0.123 0.000 2.343 484 R HA 0.557 4.897 4.340 -0.000 0.000 0.320 484 R C -1.087 175.259 176.300 0.077 0.000 0.956 484 R CA -0.717 55.428 56.100 0.076 0.000 0.836 484 R CB 1.687 32.029 30.300 0.071 0.000 1.151 484 R HN 0.574 nan 8.270 nan 0.000 0.450 485 I N 2.863 123.466 120.570 0.054 0.000 2.385 485 I HA 0.312 4.482 4.170 -0.000 0.000 0.294 485 I C 0.048 176.188 176.117 0.040 0.000 0.988 485 I CA -0.327 61.009 61.300 0.060 0.000 1.265 485 I CB 1.375 39.414 38.000 0.065 0.000 1.388 485 I HN 0.338 nan 8.210 nan 0.000 0.480 486 K N 4.007 124.432 120.400 0.041 0.000 2.535 486 K HA 0.455 4.775 4.320 -0.000 0.000 0.251 486 K C 0.168 176.787 176.600 0.031 0.000 0.942 486 K CA -0.286 56.019 56.287 0.029 0.000 0.798 486 K CB 1.828 34.342 32.500 0.023 0.000 1.267 486 K HN 0.778 nan 8.250 nan 0.000 0.434 487 G N 3.495 112.310 108.800 0.026 0.000 2.225 487 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.267 487 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.267 487 G C 0.150 175.070 174.900 0.033 0.000 1.024 487 G CA 0.946 46.062 45.100 0.025 0.000 0.784 487 G HN 0.873 nan 8.290 nan 0.000 0.507 488 K N -2.711 117.714 120.400 0.043 0.000 3.472 488 K HA -0.214 4.106 4.320 -0.000 0.000 0.315 488 K C 0.997 177.635 176.600 0.064 0.000 1.320 488 K CA 2.011 58.334 56.287 0.059 0.000 0.962 488 K CB -0.477 32.055 32.500 0.054 0.000 1.251 488 K HN 0.504 nan 8.250 nan 0.000 0.443 489 K N 0.247 120.678 120.400 0.052 0.000 2.346 489 K HA 0.475 4.795 4.320 -0.000 0.000 0.238 489 K C 0.208 176.841 176.600 0.055 0.000 1.039 489 K CA -0.864 55.452 56.287 0.047 0.000 0.861 489 K CB 0.818 33.336 32.500 0.031 0.000 1.278 489 K HN 0.009 nan 8.250 nan 0.000 0.460 490 I N 1.891 122.491 120.570 0.049 0.000 2.436 490 I HA -0.060 4.110 4.170 -0.000 0.000 0.289 490 I C 0.971 177.128 176.117 0.067 0.000 1.083 490 I CA 0.364 61.711 61.300 0.078 0.000 1.372 490 I CB 0.512 38.548 38.000 0.061 0.000 1.408 490 I HN 0.599 nan 8.210 nan 0.000 0.516 491 D N 4.799 125.246 120.400 0.079 0.000 2.323 491 D HA -0.003 4.637 4.640 -0.000 0.000 0.218 491 D C 0.274 176.621 176.300 0.078 0.000 0.973 491 D CA 0.864 54.902 54.000 0.062 0.000 0.890 491 D CB 0.475 41.305 40.800 0.049 0.000 1.011 491 D HN 0.431 nan 8.370 nan 0.000 0.499 492 N N -0.840 117.925 118.700 0.109 0.000 2.324 492 N HA 0.279 5.019 4.740 -0.000 0.000 0.285 492 N C -2.134 173.491 175.510 0.192 0.000 1.076 492 N CA -0.574 52.553 53.050 0.128 0.000 0.864 492 N CB 1.119 39.668 38.487 0.103 0.000 1.632 492 N HN -0.049 nan 8.380 nan 0.000 0.478 493 F N 2.174 122.147 119.950 0.039 0.000 2.579 493 F HA 0.459 4.986 4.527 -0.000 0.000 0.325 493 F C -1.064 174.743 175.800 0.011 0.000 1.162 493 F CA -0.392 57.626 58.000 0.030 0.000 0.946 493 F CB 1.320 40.303 39.000 -0.028 0.000 1.211 493 F HN 0.237 nan 8.300 nan 0.000 0.447 494 Q N 6.048 125.841 119.800 -0.012 0.000 2.321 494 Q HA 0.480 4.820 4.340 -0.000 0.000 0.270 494 Q C -1.502 174.517 176.000 0.031 0.000 1.032 494 Q CA -0.968 54.860 55.803 0.042 0.000 0.784 494 Q CB 2.963 31.677 28.738 -0.041 0.000 1.264 494 Q HN 0.586 nan 8.270 nan 0.000 0.448 495 L N 1.781 122.975 121.223 -0.048 0.000 2.309 495 L HA 0.529 4.868 4.340 -0.000 0.000 0.282 495 L C -0.285 176.582 176.870 -0.004 0.000 1.036 495 L CA -0.599 54.144 54.840 -0.161 0.000 0.806 495 L CB 1.650 43.320 42.059 -0.648 0.000 1.220 495 L HN 0.258 nan 8.230 nan 0.000 0.429 496 V N 4.132 124.173 119.914 0.211 0.000 2.409 496 V HA 0.543 4.663 4.120 -0.000 0.000 0.290 496 V C -0.329 175.954 176.094 0.315 0.000 1.017 496 V CA -0.623 61.800 62.300 0.205 0.000 0.841 496 V CB 1.840 33.790 31.823 0.212 0.000 1.003 496 V HN 0.455 nan 8.190 nan 0.000 0.426 497 V N 6.880 126.966 119.914 0.287 0.000 2.715 497 V HA 0.400 4.520 4.120 -0.000 0.000 0.310 497 V C -1.491 174.830 176.094 0.378 0.000 1.054 497 V CA -1.764 60.750 62.300 0.357 0.000 0.928 497 V CB 2.215 34.275 31.823 0.394 0.000 1.007 497 V HN 0.553 nan 8.190 nan 0.000 0.437 498 P HA -0.149 nan 4.420 nan 0.000 0.216 498 P C 1.536 179.027 177.300 0.317 0.000 1.157 498 P CA 1.547 64.844 63.100 0.329 0.000 0.880 498 P CB 0.173 31.987 31.700 0.189 0.000 0.791 499 S N -1.510 114.346 115.700 0.261 0.000 2.515 499 S HA -0.060 4.410 4.470 -0.000 0.000 0.231 499 S C 1.702 176.419 174.600 0.194 0.000 0.987 499 S CA 1.344 59.676 58.200 0.220 0.000 0.936 499 S CB -1.067 62.253 63.200 0.200 0.000 0.766 499 S HN 0.314 nan 8.310 nan 0.000 0.528 500 T N 0.522 115.198 114.554 0.203 0.000 2.812 500 T HA -0.066 4.284 4.350 -0.000 0.000 0.264 500 T C 1.301 176.027 174.700 0.043 0.000 1.042 500 T CA 0.812 62.971 62.100 0.098 0.000 1.140 500 T CB -0.279 68.618 68.868 0.048 0.000 0.870 500 T HN 0.543 nan 8.240 nan 0.000 0.445 501 W N 2.076 123.420 121.300 0.073 0.000 2.354 501 W HA -0.041 4.619 4.660 -0.000 0.000 0.315 501 W C 2.461 178.985 176.519 0.009 0.000 1.206 501 W CA 0.427 57.791 57.345 0.032 0.000 1.290 501 W CB -0.351 29.122 29.460 0.022 0.000 1.152 501 W HN 0.160 nan 8.180 nan 0.000 0.489 502 N N -0.242 118.617 118.700 0.265 0.000 2.171 502 N HA -0.046 4.694 4.740 -0.000 0.000 0.184 502 N C 1.299 176.756 175.510 -0.089 0.000 1.021 502 N CA 1.195 54.300 53.050 0.091 0.000 0.854 502 N CB -0.546 38.032 38.487 0.152 0.000 0.994 502 N HN 0.145 nan 8.380 nan 0.000 0.426 503 L N -0.230 120.986 121.223 -0.010 0.000 2.906 503 L HA 0.361 4.701 4.340 -0.000 0.000 0.255 503 L C 1.215 178.094 176.870 0.015 0.000 1.166 503 L CA -0.301 54.518 54.840 -0.036 0.000 0.977 503 L CB 0.596 42.663 42.059 0.014 0.000 1.313 503 L HN -0.050 nan 8.230 nan 0.000 0.549 504 G N 0.660 109.468 108.800 0.013 0.000 2.631 504 G HA2 0.291 4.251 3.960 -0.000 0.000 0.271 504 G HA3 0.291 4.251 3.960 -0.000 0.000 0.271 504 G C -2.363 172.523 174.900 -0.024 0.000 1.302 504 G CA -0.518 44.580 45.100 -0.003 0.000 1.002 504 G HN -0.081 nan 8.290 nan 0.000 0.519 505 P HA 0.294 nan 4.420 nan 0.000 0.328 505 P C -0.314 176.939 177.300 -0.078 0.000 1.305 505 P CA -0.787 62.230 63.100 -0.139 0.000 0.745 505 P CB 1.019 32.369 31.700 -0.584 0.000 1.462 506 R N -1.008 119.437 120.500 -0.091 0.000 2.641 506 R HA 0.476 4.816 4.340 -0.000 0.000 0.269 506 R C 1.090 177.385 176.300 -0.009 0.000 1.074 506 R CA 0.004 56.013 56.100 -0.153 0.000 1.133 506 R CB -0.346 29.653 30.300 -0.502 0.000 1.029 506 R HN 0.550 nan 8.270 nan 0.000 0.488 507 G N -0.161 108.657 108.800 0.029 0.000 2.525 507 G HA2 0.326 4.286 3.960 -0.000 0.000 0.287 507 G HA3 0.326 4.286 3.960 -0.000 0.000 0.287 507 G C 0.596 175.625 174.900 0.215 0.000 1.350 507 G CA -0.057 45.109 45.100 0.111 0.000 1.039 507 G HN 0.637 nan 8.290 nan 0.000 0.513 508 A N -1.329 121.598 122.820 0.179 0.000 2.067 508 A HA -0.013 4.307 4.320 -0.000 0.000 0.219 508 A C 2.078 179.758 177.584 0.159 0.000 1.158 508 A CA 1.550 53.678 52.037 0.153 0.000 0.661 508 A CB -0.275 18.776 19.000 0.086 0.000 0.801 508 A HN 0.618 nan 8.150 nan 0.000 0.452 509 Q N -1.411 118.471 119.800 0.138 0.000 2.403 509 Q HA 0.320 4.660 4.340 -0.000 0.000 0.203 509 Q C 0.947 177.009 176.000 0.103 0.000 0.932 509 Q CA 0.350 56.215 55.803 0.103 0.000 0.945 509 Q CB 0.214 28.994 28.738 0.071 0.000 1.045 509 Q HN 0.801 nan 8.270 nan 0.000 0.511 510 G N 2.301 111.183 108.800 0.138 0.000 2.149 510 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.235 510 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.235 510 G C -0.613 174.210 174.900 -0.128 0.000 1.018 510 G CA 0.226 45.312 45.100 -0.024 0.000 0.728 510 G HN 0.500 nan 8.290 nan 0.000 0.508 511 D N 0.312 120.670 120.400 -0.069 0.000 2.225 511 D HA 0.436 5.076 4.640 -0.000 0.000 0.248 511 D C 0.399 176.637 176.300 -0.103 0.000 1.096 511 D CA -0.456 53.502 54.000 -0.071 0.000 0.863 511 D CB 1.506 42.297 40.800 -0.015 0.000 1.156 511 D HN 0.250 nan 8.370 nan 0.000 0.450 512 K N 0.726 121.050 120.400 -0.127 0.000 2.276 512 K HA 0.158 4.478 4.320 -0.000 0.000 0.259 512 K C 0.844 177.393 176.600 -0.085 0.000 1.001 512 K CA -0.374 55.827 56.287 -0.143 0.000 0.927 512 K CB 0.728 33.120 32.500 -0.181 0.000 0.969 512 K HN 0.663 nan 8.250 nan 0.000 0.490 513 S N 1.269 116.923 115.700 -0.078 0.000 2.655 513 S HA 0.172 4.641 4.470 -0.000 0.000 0.265 513 S C -1.948 172.611 174.600 -0.069 0.000 1.240 513 S CA -1.244 56.926 58.200 -0.050 0.000 0.986 513 S CB 1.052 64.224 63.200 -0.048 0.000 0.985 513 S HN 0.292 nan 8.310 nan 0.000 0.562 514 P HA -0.089 nan 4.420 nan 0.000 0.215 514 P C 1.658 178.836 177.300 -0.204 0.000 1.153 514 P CA 0.643 63.717 63.100 -0.043 0.000 0.853 514 P CB -0.085 31.646 31.700 0.053 0.000 0.788 515 V N -0.117 119.506 119.914 -0.484 0.000 2.427 515 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 515 V C 2.068 178.046 176.094 -0.193 0.000 1.051 515 V CA 1.954 63.897 62.300 -0.596 0.000 1.048 515 V CB -0.834 30.639 31.823 -0.583 0.000 0.666 515 V HN 0.087 nan 8.190 nan 0.000 0.456 516 E N -0.426 119.684 120.200 -0.150 0.000 2.051 516 E HA -0.276 4.074 4.350 -0.000 0.000 0.192 516 E C 2.159 178.693 176.600 -0.111 0.000 0.991 516 E CA 1.508 57.828 56.400 -0.133 0.000 0.799 516 E CB -0.134 29.462 29.700 -0.174 0.000 0.748 516 E HN 0.610 nan 8.360 nan 0.000 0.449 517 E N 0.909 121.059 120.200 -0.085 0.000 2.058 517 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 517 E C 1.869 178.479 176.600 0.017 0.000 0.997 517 E CA 1.492 57.864 56.400 -0.045 0.000 0.801 517 E CB -0.238 29.447 29.700 -0.026 0.000 0.746 517 E HN 0.250 nan 8.360 nan 0.000 0.450 518 A N 0.119 122.991 122.820 0.087 0.000 2.019 518 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 518 A C 2.228 179.900 177.584 0.145 0.000 1.164 518 A CA 1.188 53.340 52.037 0.192 0.000 0.644 518 A CB -0.600 18.665 19.000 0.442 0.000 0.805 518 A HN 0.348 nan 8.150 nan 0.000 0.449 519 L N 0.053 121.327 121.223 0.086 0.000 2.291 519 L HA -0.021 4.319 4.340 -0.000 0.000 0.214 519 L C 0.100 176.991 176.870 0.035 0.000 1.120 519 L CA -0.149 54.736 54.840 0.074 0.000 0.799 519 L CB -0.297 41.787 42.059 0.041 0.000 0.925 519 L HN 0.241 nan 8.230 nan 0.000 0.446 520 I N 0.811 121.381 120.570 -0.001 0.000 2.683 520 I HA 0.042 4.212 4.170 -0.000 0.000 0.286 520 I C 1.471 177.584 176.117 -0.005 0.000 1.175 520 I CA 0.989 62.276 61.300 -0.021 0.000 1.429 520 I CB -0.229 37.742 38.000 -0.048 0.000 1.371 520 I HN 0.352 nan 8.210 nan 0.000 0.569 521 G N 4.466 113.262 108.800 -0.007 0.000 2.175 521 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.244 521 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.244 521 G C 0.537 175.422 174.900 -0.025 0.000 0.982 521 G CA 0.122 45.213 45.100 -0.015 0.000 0.641 521 G HN 0.592 nan 8.290 nan 0.000 0.527 522 T N 4.402 118.955 114.554 -0.001 0.000 2.831 522 T HA 0.428 4.778 4.350 -0.000 0.000 0.291 522 T C -1.843 172.870 174.700 0.022 0.000 0.981 522 T CA 0.388 62.489 62.100 0.002 0.000 1.174 522 T CB 1.474 70.391 68.868 0.082 0.000 0.929 522 T HN 0.320 nan 8.240 nan 0.000 0.532 523 P HA 0.365 nan 4.420 nan 0.000 0.284 523 P C -0.798 176.572 177.300 0.118 0.000 1.253 523 P CA -0.542 62.589 63.100 0.050 0.000 0.800 523 P CB 0.816 32.529 31.700 0.022 0.000 0.961 524 I N 2.752 123.397 120.570 0.125 0.000 2.437 524 I HA 0.190 4.360 4.170 -0.000 0.000 0.279 524 I C 1.435 177.629 176.117 0.128 0.000 1.028 524 I CA -0.713 60.666 61.300 0.131 0.000 1.142 524 I CB 0.870 38.934 38.000 0.106 0.000 1.266 524 I HN 0.378 nan 8.210 nan 0.000 0.461 525 A N 4.514 127.437 122.820 0.171 0.000 1.969 525 A HA -0.089 4.230 4.320 -0.000 0.000 0.218 525 A C 0.702 178.313 177.584 0.046 0.000 1.169 525 A CA 1.398 53.525 52.037 0.150 0.000 0.635 525 A CB -0.065 19.088 19.000 0.255 0.000 0.810 525 A HN 0.682 nan 8.150 nan 0.000 0.445 526 D N -2.395 118.009 120.400 0.007 0.000 2.375 526 D HA 0.263 4.903 4.640 -0.000 0.000 0.241 526 D C -2.399 173.808 176.300 -0.155 0.000 1.361 526 D CA -1.707 52.222 54.000 -0.117 0.000 0.995 526 D CB 1.496 42.125 40.800 -0.285 0.000 1.312 526 D HN -0.090 nan 8.370 nan 0.000 0.576 527 P HA -0.159 nan 4.420 nan 0.000 0.219 527 P C 1.156 178.243 177.300 -0.355 0.000 1.146 527 P CA 0.827 63.669 63.100 -0.430 0.000 0.808 527 P CB 0.554 31.668 31.700 -0.977 0.000 0.779 528 K N 0.331 120.561 120.400 -0.283 0.000 2.217 528 K HA -0.048 4.272 4.320 -0.000 0.000 0.202 528 K C 0.797 177.205 176.600 -0.320 0.000 1.051 528 K CA 0.886 57.034 56.287 -0.232 0.000 0.952 528 K CB 0.056 32.455 32.500 -0.167 0.000 0.736 528 K HN 0.031 nan 8.250 nan 0.000 0.453 529 R N 0.734 120.987 120.500 -0.412 0.000 2.644 529 R HA 0.207 4.547 4.340 -0.000 0.000 0.271 529 R C -2.477 173.472 176.300 -0.584 0.000 1.687 529 R CA -1.332 54.230 56.100 -0.896 0.000 1.655 529 R CB 1.363 31.327 30.300 -0.560 0.000 1.285 529 R HN 0.034 nan 8.270 nan 0.000 0.643 530 P HA -0.010 nan 4.420 nan 0.000 0.230 530 P C 0.884 178.231 177.300 0.079 0.000 1.791 530 P CA 0.069 63.129 63.100 -0.066 0.000 1.020 530 P CB 0.808 32.493 31.700 -0.024 0.000 1.977 531 V N 2.326 122.296 119.914 0.095 0.000 2.594 531 V HA -0.247 3.873 4.120 -0.000 0.000 0.253 531 V C 1.927 177.968 176.094 -0.088 0.000 1.069 531 V CA 2.038 64.399 62.300 0.102 0.000 1.082 531 V CB -0.629 31.184 31.823 -0.015 0.000 0.680 531 V HN 0.175 nan 8.190 nan 0.000 0.469 532 E N 0.355 120.562 120.200 0.012 0.000 2.110 532 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 532 E C 1.959 178.670 176.600 0.185 0.000 0.988 532 E CA 1.913 58.414 56.400 0.169 0.000 0.804 532 E CB -0.335 29.608 29.700 0.405 0.000 0.745 532 E HN 0.665 nan 8.360 nan 0.000 0.458 533 I N 0.560 121.204 120.570 0.123 0.000 2.163 533 I HA -0.294 3.876 4.170 -0.000 0.000 0.243 533 I C 2.080 178.196 176.117 -0.002 0.000 1.085 533 I CA 1.103 62.460 61.300 0.094 0.000 1.347 533 I CB -0.268 37.782 38.000 0.084 0.000 1.044 533 I HN 0.110 nan 8.210 nan 0.000 0.408 534 L N -0.035 121.137 121.223 -0.085 0.000 2.079 534 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 534 L C 2.718 179.414 176.870 -0.289 0.000 1.081 534 L CA 1.328 55.976 54.840 -0.320 0.000 0.752 534 L CB -0.776 41.143 42.059 -0.233 0.000 0.896 534 L HN 0.211 nan 8.230 nan 0.000 0.433 535 R N -0.541 119.794 120.500 -0.276 0.000 2.073 535 R HA -0.125 4.215 4.340 -0.000 0.000 0.234 535 R C 2.368 178.696 176.300 0.047 0.000 1.134 535 R CA 1.900 57.771 56.100 -0.382 0.000 0.952 535 R CB -0.657 28.933 30.300 -1.184 0.000 0.850 535 R HN 0.296 nan 8.270 nan 0.000 0.433 536 T N 0.704 115.348 114.554 0.150 0.000 2.770 536 T HA -0.062 4.288 4.350 -0.000 0.000 0.263 536 T C 1.987 176.885 174.700 0.329 0.000 1.039 536 T CA 1.088 63.386 62.100 0.329 0.000 1.142 536 T CB -0.041 69.065 68.868 0.396 0.000 0.868 536 T HN -0.023 nan 8.240 nan 0.000 0.435 537 V N 0.931 120.946 119.914 0.168 0.000 2.295 537 V HA -0.202 3.918 4.120 -0.000 0.000 0.246 537 V C 2.122 178.332 176.094 0.193 0.000 1.049 537 V CA 1.815 64.206 62.300 0.152 0.000 1.024 537 V CB -0.680 31.129 31.823 -0.023 0.000 0.648 537 V HN 0.654 nan 8.190 nan 0.000 0.447 538 H N -0.240 118.873 119.070 0.070 0.000 2.421 538 H HA -0.060 4.495 4.556 -0.000 0.000 0.298 538 H C 2.291 177.521 175.328 -0.163 0.000 1.087 538 H CA 0.978 56.983 56.048 -0.072 0.000 1.330 538 H CB -0.089 29.500 29.762 -0.288 0.000 1.388 538 H HN 0.468 nan 8.280 nan 0.000 0.526 539 A N 0.682 123.502 122.820 0.001 0.000 1.978 539 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 539 A C 1.692 179.282 177.584 0.010 0.000 1.170 539 A CA 1.212 53.301 52.037 0.087 0.000 0.636 539 A CB -0.818 18.324 19.000 0.237 0.000 0.810 539 A HN 0.364 nan 8.150 nan 0.000 0.448 540 F N -0.392 119.611 119.950 0.090 0.000 2.771 540 F HA 0.032 4.559 4.527 -0.000 0.000 0.299 540 F C 0.780 176.589 175.800 0.015 0.000 1.177 540 F CA 0.798 58.841 58.000 0.070 0.000 1.450 540 F CB -0.066 38.992 39.000 0.097 0.000 1.114 540 F HN 0.287 nan 8.300 nan 0.000 0.587 541 D N 0.319 120.785 120.400 0.111 0.000 2.737 541 D HA -0.159 4.481 4.640 -0.000 0.000 0.238 541 D C -2.577 173.793 176.300 0.116 0.000 1.157 541 D CA -0.100 53.866 54.000 -0.057 0.000 0.694 541 D CB -0.433 40.117 40.800 -0.416 0.000 1.021 541 D HN 0.088 nan 8.370 nan 0.000 0.420 542 P HA 0.181 nan 4.420 nan 0.000 0.271 542 P C -0.300 177.100 177.300 0.166 0.000 1.216 542 P CA -0.577 62.634 63.100 0.186 0.000 0.776 542 P CB 1.292 33.103 31.700 0.185 0.000 0.881 543 C N 5.498 124.896 119.300 0.163 0.000 2.660 543 C HA 0.318 4.778 4.460 -0.000 0.000 0.336 543 C C 1.244 176.334 174.990 0.167 0.000 1.058 543 C CA -0.463 58.650 59.018 0.159 0.000 1.368 543 C CB -0.910 26.935 27.740 0.174 0.000 1.884 543 C HN 0.469 nan 8.230 nan 0.000 0.454 544 I N 3.658 124.316 120.570 0.146 0.000 2.716 544 I HA 0.054 4.223 4.170 -0.000 0.000 0.259 544 I C 2.501 178.711 176.117 0.156 0.000 1.172 544 I CA 1.453 62.851 61.300 0.162 0.000 1.478 544 I CB -1.568 36.532 38.000 0.167 0.000 1.104 544 I HN 0.756 nan 8.210 nan 0.000 0.439 545 A N 0.403 123.303 122.820 0.133 0.000 1.877 545 A HA -0.226 4.094 4.320 -0.000 0.000 0.216 545 A C 2.609 180.287 177.584 0.156 0.000 1.186 545 A CA 1.896 54.004 52.037 0.118 0.000 0.620 545 A CB -1.213 17.848 19.000 0.101 0.000 0.822 545 A HN 0.463 nan 8.150 nan 0.000 0.443 546 C N -1.091 118.334 119.300 0.209 0.000 2.432 546 C HA -0.009 4.451 4.460 -0.000 0.000 0.277 546 C C 3.048 178.264 174.990 0.377 0.000 1.249 546 C CA 0.832 60.033 59.018 0.305 0.000 1.725 546 C CB -1.589 26.358 27.740 0.346 0.000 2.028 546 C HN 0.710 nan 8.230 nan 0.000 0.477 547 G N -0.407 108.558 108.800 0.275 0.000 2.446 547 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.217 547 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.217 547 G C 1.578 176.557 174.900 0.131 0.000 1.168 547 G CA 1.637 46.880 45.100 0.238 0.000 0.771 547 G HN 0.437 nan 8.290 nan 0.000 0.551 548 V N 1.336 121.263 119.914 0.022 0.000 2.922 548 V HA 0.132 4.252 4.120 -0.000 0.000 0.242 548 V C 1.133 176.796 176.094 -0.718 0.000 1.094 548 V CA 0.685 62.876 62.300 -0.182 0.000 1.106 548 V CB -0.682 31.198 31.823 0.094 0.000 0.799 548 V HN 0.778 nan 8.190 nan 0.000 0.474 549 H N 0.000 119.077 119.070 0.011 0.000 2.539 549 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 549 H CA 0.000 55.989 56.048 -0.098 0.000 1.023 549 H CB 0.000 29.713 29.762 -0.082 0.000 1.292 549 H HN 0.000 nan 8.280 nan 0.000 0.496