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 3ciz_1_B DATA FIRST_RESID 0 DATA SEQUENCE HHMSYTWTGA LITPCAAEES KLPINALSNS LLRHHNMVYA TTSRSAGLRQ DATA SEQUENCE KKVTFDRLQV LDDHYRDVLK EMKAKASTVK AKLLSVEEAC KLTPPHSAKS DATA SEQUENCE KFGYGAKDVR NLSSKAVNHI HSVWKDLLED TVTPIDTTIM AKNEVFCVQP DATA SEQUENCE EXXGRKPARL IVFPDLGVRV CEKMALYDVV STLPQVVMGS SYGFQYSPGQ DATA SEQUENCE RVEFLVNTWK SKKNPMGFSY DTRCFDSTVT ENDIRVEESI YQCCDLAPEA DATA SEQUENCE RQAIKSLTER LYIGGPLTNS KGQNCGYRRC RASGVLTTSC GNTLTCYLKA DATA SEQUENCE SAACRAAKLQ DCTMLVNGDD LVVICESAGT QEDAASLRVF TEAMTRYSAP DATA SEQUENCE PGDPPQPEYD LELITSCSSN VSVAHDASGK RVYYLTRDPT TPLARAAWET DATA SEQUENCE ARHTPVNSWL GNIIMYAPTL WARMILMTHF FSILLAQEQL EKALDCQIYG DATA SEQUENCE ACYSIEPLDL PQIIERLHGL SAFSLHSYSP GEINRVASCL RKLGVPPLRV DATA SEQUENCE WRHRARSVRA RLLSQGGRAA TCGKYLFNWA VKTKLKLTPI PAASRLDLSG DATA SEQUENCE WFVAGYSGGD IYHSL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.186 175.328 -0.236 0.000 0.993 0 H CA 0.000 56.011 56.048 -0.061 0.000 1.023 0 H CB 0.000 29.731 29.762 -0.052 0.000 1.292 1 H N 4.180 123.241 119.070 -0.015 0.000 2.317 1 H HA 0.224 4.780 4.556 -0.000 0.000 0.231 1 H C -0.108 175.194 175.328 -0.043 0.000 1.442 1 H CA -0.624 55.406 56.048 -0.031 0.000 1.336 1 H CB 0.227 29.977 29.762 -0.021 0.000 1.533 1 H HN 0.513 nan 8.280 nan 0.000 0.522 2 M N 1.449 121.044 119.600 -0.010 0.000 2.228 2 M HA 0.006 4.486 4.480 0.000 0.000 0.351 2 M C 1.828 178.040 176.300 -0.147 0.000 1.233 2 M CA 0.095 55.367 55.300 -0.047 0.000 1.129 2 M CB 1.040 33.612 32.600 -0.046 0.000 1.604 2 M HN 0.372 nan 8.290 nan 0.000 0.457 3 S N 2.808 118.361 115.700 -0.245 0.000 2.383 3 S HA -0.107 4.363 4.470 0.000 0.000 0.229 3 S C 0.114 174.326 174.600 -0.647 0.000 1.030 3 S CA 1.039 58.976 58.200 -0.438 0.000 1.002 3 S CB -0.209 62.669 63.200 -0.537 0.000 0.829 3 S HN 0.646 nan 8.310 nan 0.000 0.467 4 Y N 0.767 120.891 120.300 -0.292 0.000 2.534 4 Y HA 0.542 5.092 4.550 -0.000 0.000 0.345 4 Y C -0.053 175.524 175.900 -0.538 0.000 1.031 4 Y CA -0.866 56.915 58.100 -0.532 0.000 1.022 4 Y CB 2.056 40.017 38.460 -0.832 0.000 1.292 4 Y HN 0.150 nan 8.280 nan 0.000 0.459 5 T N -2.007 112.289 114.554 -0.429 0.000 2.887 5 T HA 0.718 5.068 4.350 0.000 0.000 0.288 5 T C -1.282 173.164 174.700 -0.423 0.000 1.021 5 T CA -0.746 61.167 62.100 -0.311 0.000 1.000 5 T CB 1.140 69.939 68.868 -0.115 0.000 1.034 5 T HN 0.542 nan 8.240 nan 0.000 0.467 6 W N 0.899 122.254 121.300 0.090 0.000 2.761 6 W HA 0.474 5.134 4.660 -0.000 0.000 0.340 6 W C 1.404 177.952 176.519 0.048 0.000 1.072 6 W CA -0.784 56.600 57.345 0.066 0.000 1.215 6 W CB 2.122 31.605 29.460 0.038 0.000 1.420 6 W HN 0.899 nan 8.180 nan 0.000 0.519 7 T N -2.275 112.458 114.554 0.298 0.000 3.054 7 T HA 0.295 4.645 4.350 0.000 0.000 0.259 7 T C 1.471 176.254 174.700 0.138 0.000 1.092 7 T CA 0.934 63.137 62.100 0.170 0.000 1.121 7 T CB -0.001 68.945 68.868 0.130 0.000 0.912 7 T HN 1.232 nan 8.240 nan 0.000 0.489 8 G N 1.303 110.191 108.800 0.148 0.000 2.238 8 G HA2 0.005 3.965 3.960 0.000 0.000 0.217 8 G HA3 0.005 3.965 3.960 0.000 0.000 0.217 8 G C 0.375 175.298 174.900 0.039 0.000 0.996 8 G CA -0.136 45.005 45.100 0.069 0.000 0.632 8 G HN 1.130 nan 8.290 nan 0.000 0.503 9 A N 1.011 123.867 122.820 0.061 0.000 2.498 9 A HA 0.615 4.935 4.320 0.000 0.000 0.239 9 A C 0.845 178.438 177.584 0.014 0.000 1.068 9 A CA 0.221 52.281 52.037 0.039 0.000 0.766 9 A CB 0.187 19.220 19.000 0.054 0.000 1.003 9 A HN 0.859 nan 8.150 nan 0.000 0.497 10 L N 1.903 123.121 121.223 -0.008 0.000 2.436 10 L HA 0.253 4.593 4.340 0.000 0.000 0.265 10 L C 0.091 176.944 176.870 -0.028 0.000 1.168 10 L CA -0.253 54.564 54.840 -0.038 0.000 0.815 10 L CB 0.671 42.711 42.059 -0.031 0.000 1.109 10 L HN 0.564 nan 8.230 nan 0.000 0.462 11 I N 1.663 122.198 120.570 -0.058 0.000 2.379 11 I HA 0.096 4.266 4.170 0.000 0.000 0.290 11 I C 0.418 176.527 176.117 -0.013 0.000 1.063 11 I CA 0.027 61.309 61.300 -0.030 0.000 1.351 11 I CB 0.869 38.836 38.000 -0.054 0.000 1.410 11 I HN 0.640 nan 8.210 nan 0.000 0.505 12 T N 4.841 119.399 114.554 0.006 0.000 2.918 12 T HA 0.621 4.971 4.350 0.000 0.000 0.286 12 T C -2.504 172.211 174.700 0.025 0.000 1.026 12 T CA -2.018 60.089 62.100 0.012 0.000 1.031 12 T CB 1.977 70.851 68.868 0.010 0.000 1.046 12 T HN 0.268 nan 8.240 nan 0.000 0.479 13 P HA 0.371 nan 4.420 nan 0.000 0.278 13 P C 0.154 177.476 177.300 0.036 0.000 1.266 13 P CA -0.700 62.422 63.100 0.036 0.000 0.807 13 P CB 1.015 32.736 31.700 0.035 0.000 1.094 14 C N -0.070 119.254 119.300 0.041 0.000 2.519 14 C HA 0.420 4.880 4.460 0.000 0.000 0.281 14 C C 1.442 176.450 174.990 0.029 0.000 1.331 14 C CA 1.046 60.085 59.018 0.035 0.000 1.725 14 C CB -0.705 27.059 27.740 0.040 0.000 2.079 14 C HN 0.676 nan 8.230 nan 0.000 0.496 15 A N -0.317 122.523 122.820 0.033 0.000 2.486 15 A HA 0.778 5.098 4.320 0.000 0.000 0.289 15 A C -0.448 177.160 177.584 0.039 0.000 1.176 15 A CA 0.092 52.148 52.037 0.033 0.000 0.757 15 A CB 0.079 19.099 19.000 0.034 0.000 1.337 15 A HN 0.545 nan 8.150 nan 0.000 0.423 16 A N 0.135 122.979 122.820 0.040 0.000 2.565 16 A HA 0.447 4.767 4.320 0.000 0.000 0.237 16 A C -0.009 177.614 177.584 0.064 0.000 1.053 16 A CA 0.506 52.572 52.037 0.047 0.000 0.755 16 A CB -0.387 18.639 19.000 0.044 0.000 0.980 16 A HN 0.662 nan 8.150 nan 0.000 0.506 17 E N 1.520 121.764 120.200 0.073 0.000 2.171 17 E HA 0.304 4.654 4.350 0.000 0.000 0.271 17 E C -0.879 175.800 176.600 0.132 0.000 0.916 17 E CA -0.474 55.985 56.400 0.098 0.000 0.774 17 E CB 1.578 31.327 29.700 0.082 0.000 1.128 17 E HN 0.735 nan 8.360 nan 0.000 0.403 18 E N 1.218 121.535 120.200 0.195 0.000 2.289 18 E HA 0.061 4.411 4.350 0.000 0.000 0.278 18 E C 0.324 177.139 176.600 0.359 0.000 1.032 18 E CA -0.040 56.517 56.400 0.262 0.000 0.854 18 E CB 1.087 30.984 29.700 0.329 0.000 1.046 18 E HN 0.564 nan 8.360 nan 0.000 0.409 19 S N 1.143 117.027 115.700 0.306 0.000 2.524 19 S HA 0.081 4.551 4.470 0.000 0.000 0.222 19 S C 0.977 175.828 174.600 0.420 0.000 1.040 19 S CA -0.322 58.086 58.200 0.346 0.000 0.915 19 S CB 0.115 63.456 63.200 0.235 0.000 0.831 19 S HN 0.373 nan 8.310 nan 0.000 0.492 20 K N 1.721 122.294 120.400 0.288 0.000 2.174 20 K HA 0.677 4.997 4.320 0.000 0.000 0.275 20 K C -0.390 176.243 176.600 0.056 0.000 1.015 20 K CA -0.776 55.629 56.287 0.197 0.000 0.933 20 K CB -0.115 32.442 32.500 0.095 0.000 1.025 20 K HN 0.406 nan 8.250 nan 0.000 0.463 21 L N 3.648 124.896 121.223 0.041 0.000 2.534 21 L HA 0.224 4.564 4.340 0.000 0.000 0.271 21 L C -2.253 174.358 176.870 -0.432 0.000 1.178 21 L CA -1.340 53.346 54.840 -0.256 0.000 0.907 21 L CB 0.334 42.391 42.059 -0.004 0.000 1.164 21 L HN 0.534 nan 8.230 nan 0.000 0.482 22 P HA 0.230 nan 4.420 nan 0.000 0.271 22 P C -1.031 176.029 177.300 -0.399 0.000 1.216 22 P CA -0.063 62.728 63.100 -0.515 0.000 0.776 22 P CB 0.603 31.928 31.700 -0.626 0.000 0.881 23 I N 3.263 123.657 120.570 -0.294 0.000 2.406 23 I HA 0.350 4.520 4.170 0.000 0.000 0.290 23 I C 0.368 176.373 176.117 -0.187 0.000 0.999 23 I CA -0.664 60.466 61.300 -0.283 0.000 1.124 23 I CB 1.368 39.193 38.000 -0.292 0.000 1.289 23 I HN 0.471 nan 8.210 nan 0.000 0.441 24 N N 4.527 123.130 118.700 -0.161 0.000 3.201 24 N HA 0.454 5.194 4.740 0.000 0.000 0.344 24 N C 0.506 175.971 175.510 -0.075 0.000 1.465 24 N CA -0.461 52.527 53.050 -0.103 0.000 0.731 24 N CB 0.599 39.030 38.487 -0.094 0.000 1.677 24 N HN 0.380 nan 8.380 nan 0.000 0.631 25 A N -0.618 122.172 122.820 -0.051 0.000 2.125 25 A HA 0.095 4.415 4.320 0.000 0.000 0.219 25 A C 1.714 179.283 177.584 -0.025 0.000 1.156 25 A CA 0.869 52.886 52.037 -0.033 0.000 0.671 25 A CB -0.943 18.040 19.000 -0.028 0.000 0.794 25 A HN 0.551 nan 8.150 nan 0.000 0.459 26 L N -1.289 119.915 121.223 -0.031 0.000 2.554 26 L HA 0.031 4.371 4.340 0.000 0.000 0.225 26 L C 2.410 179.308 176.870 0.047 0.000 1.104 26 L CA 0.444 55.283 54.840 -0.003 0.000 0.866 26 L CB -0.105 41.928 42.059 -0.042 0.000 1.047 26 L HN 0.225 nan 8.230 nan 0.000 0.468 27 S N 0.557 116.256 115.700 -0.003 0.000 2.348 27 S HA -0.149 4.321 4.470 0.000 0.000 0.221 27 S C 1.718 176.370 174.600 0.087 0.000 1.033 27 S CA 1.430 59.625 58.200 -0.008 0.000 1.010 27 S CB -0.267 62.827 63.200 -0.178 0.000 0.891 27 S HN 0.453 nan 8.310 nan 0.000 0.442 28 N N 1.693 120.461 118.700 0.114 0.000 2.205 28 N HA -0.079 4.661 4.740 0.000 0.000 0.186 28 N C 1.913 177.450 175.510 0.044 0.000 1.015 28 N CA 1.398 54.523 53.050 0.125 0.000 0.862 28 N CB -0.574 37.965 38.487 0.086 0.000 0.986 28 N HN 0.583 nan 8.380 nan 0.000 0.429 29 S N -0.170 115.549 115.700 0.032 0.000 2.442 29 S HA -0.070 4.400 4.470 0.000 0.000 0.236 29 S C 1.841 176.450 174.600 0.016 0.000 1.007 29 S CA 0.514 58.706 58.200 -0.014 0.000 0.965 29 S CB -0.218 62.989 63.200 0.012 0.000 0.773 29 S HN 0.229 nan 8.310 nan 0.000 0.504 30 L N 0.863 122.112 121.223 0.043 0.000 2.200 30 L HA 0.553 4.893 4.340 0.000 0.000 0.200 30 L C 0.186 177.110 176.870 0.090 0.000 1.072 30 L CA 0.820 55.676 54.840 0.027 0.000 0.787 30 L CB -0.000 41.851 42.059 -0.347 0.000 0.957 30 L HN 0.636 nan 8.230 nan 0.000 0.459 31 L N -5.691 115.572 121.223 0.067 0.000 2.518 31 L HA 0.732 5.072 4.340 0.000 0.000 0.257 31 L C 0.240 177.114 176.870 0.006 0.000 0.980 31 L CA -0.370 54.492 54.840 0.036 0.000 0.837 31 L CB 1.587 43.688 42.059 0.069 0.000 1.410 31 L HN -0.207 nan 8.230 nan 0.000 0.410 32 R N 0.100 120.473 120.500 -0.212 0.000 2.195 32 R HA 0.260 4.600 4.340 0.000 0.000 0.197 32 R C 0.627 176.636 176.300 -0.484 0.000 0.990 32 R CA 1.112 56.987 56.100 -0.374 0.000 1.048 32 R CB -1.073 29.037 30.300 -0.317 0.000 0.997 32 R HN 0.872 nan 8.270 nan 0.000 0.502 33 H N 0.543 119.497 119.070 -0.193 0.000 2.855 33 H HA 0.242 4.798 4.556 0.000 0.000 0.238 33 H C 0.302 175.617 175.328 -0.021 0.000 1.847 33 H CA -0.423 55.549 56.048 -0.126 0.000 1.368 33 H CB -0.030 29.713 29.762 -0.031 0.000 1.758 33 H HN 0.658 nan 8.280 nan 0.000 0.546 34 H N 0.795 119.952 119.070 0.144 0.000 2.387 34 H HA -0.159 4.397 4.556 0.000 0.000 0.299 34 H C 1.964 177.365 175.328 0.122 0.000 1.090 34 H CA 0.985 57.095 56.048 0.104 0.000 1.332 34 H CB 0.286 30.083 29.762 0.058 0.000 1.386 34 H HN 0.601 nan 8.280 nan 0.000 0.516 35 N N 1.193 120.019 118.700 0.209 0.000 2.609 35 N HA -0.132 4.608 4.740 0.000 0.000 0.190 35 N C 1.266 176.878 175.510 0.171 0.000 1.157 35 N CA 0.898 54.045 53.050 0.162 0.000 0.918 35 N CB -0.333 38.214 38.487 0.099 0.000 0.978 35 N HN 0.438 nan 8.380 nan 0.000 0.448 36 M N -0.261 119.455 119.600 0.194 0.000 2.506 36 M HA 0.116 4.596 4.480 0.000 0.000 0.260 36 M C -0.141 176.330 176.300 0.284 0.000 1.104 36 M CA 0.280 55.702 55.300 0.203 0.000 1.112 36 M CB 0.516 33.225 32.600 0.182 0.000 1.401 36 M HN -0.087 nan 8.290 nan 0.000 0.473 37 V N 1.097 121.189 119.914 0.296 0.000 2.427 37 V HA 0.331 4.451 4.120 0.000 0.000 0.286 37 V C -0.853 175.493 176.094 0.421 0.000 1.034 37 V CA -0.724 61.762 62.300 0.309 0.000 0.893 37 V CB 0.937 32.919 31.823 0.264 0.000 0.982 37 V HN 0.312 nan 8.190 nan 0.000 0.452 38 Y N 2.459 122.913 120.300 0.257 0.000 2.597 38 Y HA 0.906 5.456 4.550 0.000 0.000 0.340 38 Y C -0.423 175.566 175.900 0.148 0.000 1.097 38 Y CA -1.491 56.769 58.100 0.266 0.000 1.037 38 Y CB 1.458 40.035 38.460 0.196 0.000 1.305 38 Y HN 0.701 nan 8.280 nan 0.000 0.463 39 A N 1.684 124.577 122.820 0.121 0.000 2.324 39 A HA 0.669 4.989 4.320 0.000 0.000 0.330 39 A C 0.077 177.748 177.584 0.145 0.000 1.165 39 A CA -0.306 51.609 52.037 -0.202 0.000 0.813 39 A CB 0.301 18.971 19.000 -0.550 0.000 1.197 39 A HN 1.083 nan 8.150 nan 0.000 0.484 40 T N 0.033 114.664 114.554 0.128 0.000 2.898 40 T HA 0.540 4.890 4.350 0.000 0.000 0.301 40 T C 0.394 175.157 174.700 0.105 0.000 1.049 40 T CA 0.411 62.638 62.100 0.212 0.000 1.095 40 T CB 0.699 69.711 68.868 0.240 0.000 0.976 40 T HN 1.469 nan 8.240 nan 0.000 0.539 41 T N -2.171 112.446 114.554 0.106 0.000 2.812 41 T HA 0.483 4.833 4.350 0.000 0.000 0.294 41 T C 1.406 176.139 174.700 0.054 0.000 1.159 41 T CA -0.228 61.915 62.100 0.072 0.000 1.008 41 T CB 1.249 70.166 68.868 0.080 0.000 1.289 41 T HN 0.798 nan 8.240 nan 0.000 0.514 42 S N 0.330 116.054 115.700 0.040 0.000 2.440 42 S HA -0.143 4.327 4.470 0.000 0.000 0.238 42 S C 1.722 176.326 174.600 0.006 0.000 1.010 42 S CA 0.307 58.519 58.200 0.021 0.000 0.972 42 S CB -0.599 62.613 63.200 0.019 0.000 0.774 42 S HN 0.645 nan 8.310 nan 0.000 0.501 43 R N 1.844 122.354 120.500 0.017 0.000 2.285 43 R HA 0.073 4.413 4.340 0.000 0.000 0.213 43 R C 2.057 178.354 176.300 -0.005 0.000 1.068 43 R CA 1.156 57.260 56.100 0.006 0.000 1.004 43 R CB -1.145 29.165 30.300 0.017 0.000 0.873 43 R HN 0.784 nan 8.270 nan 0.000 0.467 44 S N -1.279 114.424 115.700 0.004 0.000 2.554 44 S HA 0.280 4.750 4.470 0.000 0.000 0.226 44 S C 1.698 176.281 174.600 -0.029 0.000 0.980 44 S CA 0.164 58.360 58.200 -0.007 0.000 0.939 44 S CB 0.682 63.892 63.200 0.017 0.000 0.832 44 S HN 0.191 nan 8.310 nan 0.000 0.486 45 A N 1.910 124.705 122.820 -0.042 0.000 2.019 45 A HA 0.215 4.535 4.320 0.000 0.000 0.219 45 A C 2.199 179.693 177.584 -0.150 0.000 1.164 45 A CA 1.431 53.420 52.037 -0.080 0.000 0.644 45 A CB -1.523 17.428 19.000 -0.081 0.000 0.805 45 A HN 0.651 nan 8.150 nan 0.000 0.449 46 G N 0.067 108.776 108.800 -0.151 0.000 2.422 46 G HA2 -0.163 3.797 3.960 0.000 0.000 0.218 46 G HA3 -0.163 3.797 3.960 0.000 0.000 0.218 46 G C 1.502 176.311 174.900 -0.152 0.000 1.146 46 G CA 1.025 46.008 45.100 -0.194 0.000 0.769 46 G HN 0.466 nan 8.290 nan 0.000 0.547 47 L N -0.224 120.944 121.223 -0.092 0.000 2.046 47 L HA -0.038 4.302 4.340 0.000 0.000 0.208 47 L C 2.876 179.716 176.870 -0.049 0.000 1.077 47 L CA 1.342 56.147 54.840 -0.058 0.000 0.747 47 L CB -0.426 41.611 42.059 -0.036 0.000 0.896 47 L HN 0.151 nan 8.230 nan 0.000 0.432 48 R N 0.611 121.077 120.500 -0.057 0.000 2.075 48 R HA -0.149 4.191 4.340 0.000 0.000 0.232 48 R C 2.276 178.543 176.300 -0.056 0.000 1.126 48 R CA 1.528 57.609 56.100 -0.032 0.000 0.963 48 R CB -0.422 29.864 30.300 -0.023 0.000 0.858 48 R HN 0.356 nan 8.270 nan 0.000 0.435 49 Q N 0.144 119.835 119.800 -0.182 0.000 2.077 49 Q HA -0.246 4.095 4.340 0.000 0.000 0.206 49 Q C 2.052 178.000 176.000 -0.087 0.000 0.989 49 Q CA 2.202 57.823 55.803 -0.302 0.000 0.853 49 Q CB -0.240 28.028 28.738 -0.784 0.000 0.907 49 Q HN 0.311 nan 8.270 nan 0.000 0.418 50 K N 1.042 121.396 120.400 -0.077 0.000 2.044 50 K HA -0.220 4.100 4.320 0.000 0.000 0.210 50 K C 1.870 178.540 176.600 0.118 0.000 1.049 50 K CA 1.629 57.933 56.287 0.027 0.000 0.927 50 K CB 0.078 32.579 32.500 0.001 0.000 0.713 50 K HN 0.042 nan 8.250 nan 0.000 0.443 51 K N 0.084 120.547 120.400 0.106 0.000 2.097 51 K HA -0.099 4.221 4.320 0.000 0.000 0.205 51 K C 1.836 178.625 176.600 0.315 0.000 1.050 51 K CA 1.516 57.905 56.287 0.169 0.000 0.938 51 K CB 0.015 32.586 32.500 0.119 0.000 0.718 51 K HN 0.202 nan 8.250 nan 0.000 0.442 52 V N -1.511 118.564 119.914 0.268 0.000 3.623 52 V HA 0.060 4.180 4.120 0.000 0.000 0.271 52 V C 0.259 176.472 176.094 0.198 0.000 1.248 52 V CA 0.189 62.674 62.300 0.308 0.000 1.156 52 V CB -0.145 31.810 31.823 0.220 0.000 0.870 52 V HN -0.028 nan 8.190 nan 0.000 0.453 53 T N 4.402 119.131 114.554 0.292 0.000 2.801 53 T HA 0.725 5.075 4.350 0.000 0.000 0.306 53 T C -0.770 174.083 174.700 0.254 0.000 1.020 53 T CA -0.052 62.199 62.100 0.253 0.000 0.948 53 T CB 0.222 69.359 68.868 0.447 0.000 0.962 53 T HN 0.615 nan 8.240 nan 0.000 0.465 54 F N -0.304 119.753 119.950 0.178 0.000 2.741 54 F HA 0.646 5.173 4.527 0.000 0.000 0.311 54 F C -1.048 174.803 175.800 0.086 0.000 1.149 54 F CA -1.730 56.339 58.000 0.115 0.000 0.930 54 F CB 0.660 39.717 39.000 0.095 0.000 1.312 54 F HN 0.194 nan 8.300 nan 0.000 0.450 55 D N 0.887 121.488 120.400 0.335 0.000 2.350 55 D HA 0.441 5.081 4.640 0.000 0.000 0.249 55 D C -0.835 175.637 176.300 0.288 0.000 1.119 55 D CA 0.086 54.220 54.000 0.224 0.000 0.886 55 D CB 0.828 41.727 40.800 0.165 0.000 1.195 55 D HN 0.568 nan 8.370 nan 0.000 0.437 56 R N 2.442 123.057 120.500 0.193 0.000 2.387 56 R HA 0.595 4.935 4.340 0.000 0.000 0.314 56 R C -0.813 175.505 176.300 0.031 0.000 0.958 56 R CA -0.506 55.684 56.100 0.149 0.000 0.846 56 R CB 1.191 31.553 30.300 0.104 0.000 1.147 56 R HN 0.388 nan 8.270 nan 0.000 0.447 57 L N 1.953 123.177 121.223 0.002 0.000 2.362 57 L HA 0.564 4.904 4.340 0.000 0.000 0.271 57 L C -0.502 176.321 176.870 -0.078 0.000 1.002 57 L CA -0.804 53.991 54.840 -0.074 0.000 0.818 57 L CB 2.201 44.233 42.059 -0.045 0.000 1.298 57 L HN 0.472 nan 8.230 nan 0.000 0.420 58 Q N 1.771 121.499 119.800 -0.120 0.000 2.285 58 Q HA 0.580 4.920 4.340 0.000 0.000 0.269 58 Q C -1.867 174.067 176.000 -0.109 0.000 1.030 58 Q CA -0.521 55.219 55.803 -0.106 0.000 0.788 58 Q CB 2.864 31.523 28.738 -0.132 0.000 1.266 58 Q HN 0.440 nan 8.270 nan 0.000 0.438 59 V N 5.354 125.220 119.914 -0.080 0.000 2.376 59 V HA 0.464 4.584 4.120 0.000 0.000 0.287 59 V C -0.641 175.431 176.094 -0.036 0.000 1.015 59 V CA -0.609 61.648 62.300 -0.071 0.000 0.834 59 V CB 1.301 33.083 31.823 -0.069 0.000 1.001 59 V HN 0.691 nan 8.190 nan 0.000 0.428 60 L N 5.614 126.783 121.223 -0.091 0.000 2.313 60 L HA 0.669 5.009 4.340 0.000 0.000 0.283 60 L C -0.248 176.624 176.870 0.003 0.000 1.013 60 L CA -0.490 54.263 54.840 -0.146 0.000 0.816 60 L CB 1.747 43.523 42.059 -0.471 0.000 1.236 60 L HN 0.732 nan 8.230 nan 0.000 0.419 61 D N 0.432 120.913 120.400 0.135 0.000 2.616 61 D HA 0.157 4.797 4.640 0.000 0.000 0.260 61 D C 0.183 176.554 176.300 0.117 0.000 1.158 61 D CA -0.574 53.492 54.000 0.110 0.000 1.085 61 D CB 0.899 41.769 40.800 0.116 0.000 1.222 61 D HN 0.312 nan 8.370 nan 0.000 0.626 62 D N -1.134 119.274 120.400 0.013 0.000 2.144 62 D HA -0.143 4.497 4.640 0.000 0.000 0.200 62 D C 1.765 178.073 176.300 0.012 0.000 0.978 62 D CA 1.045 55.030 54.000 -0.025 0.000 0.833 62 D CB -0.083 40.653 40.800 -0.107 0.000 0.961 62 D HN 0.405 nan 8.370 nan 0.000 0.470 63 H N -0.119 119.017 119.070 0.111 0.000 2.352 63 H HA -0.169 4.387 4.556 0.000 0.000 0.299 63 H C 2.030 177.402 175.328 0.073 0.000 1.097 63 H CA 1.023 57.130 56.048 0.098 0.000 1.311 63 H CB -0.737 29.108 29.762 0.139 0.000 1.377 63 H HN 0.332 nan 8.280 nan 0.000 0.504 64 Y N 1.816 122.162 120.300 0.075 0.000 2.097 64 Y HA -0.227 4.323 4.550 0.000 0.000 0.282 64 Y C 2.724 178.576 175.900 -0.080 0.000 1.152 64 Y CA 1.678 59.694 58.100 -0.139 0.000 1.136 64 Y CB -0.091 38.194 38.460 -0.291 0.000 0.975 64 Y HN -0.043 nan 8.280 nan 0.000 0.498 65 R N 0.043 120.602 120.500 0.097 0.000 2.092 65 R HA -0.143 4.197 4.340 0.000 0.000 0.231 65 R C 1.753 178.023 176.300 -0.050 0.000 1.119 65 R CA 1.392 57.494 56.100 0.004 0.000 0.970 65 R CB -0.315 30.032 30.300 0.078 0.000 0.864 65 R HN 0.417 nan 8.270 nan 0.000 0.440 66 D N 0.147 120.542 120.400 -0.008 0.000 2.092 66 D HA -0.134 4.506 4.640 0.000 0.000 0.193 66 D C 1.965 178.246 176.300 -0.031 0.000 0.994 66 D CA 1.136 55.135 54.000 -0.001 0.000 0.828 66 D CB -0.282 40.547 40.800 0.049 0.000 0.963 66 D HN -0.021 nan 8.370 nan 0.000 0.450 67 V N 1.040 120.918 119.914 -0.061 0.000 2.343 67 V HA -0.209 3.911 4.120 0.000 0.000 0.247 67 V C 2.457 178.481 176.094 -0.117 0.000 1.051 67 V CA 1.076 63.325 62.300 -0.086 0.000 1.036 67 V CB -0.474 31.267 31.823 -0.137 0.000 0.654 67 V HN 0.138 nan 8.190 nan 0.000 0.451 68 L N 0.550 121.637 121.223 -0.226 0.000 2.046 68 L HA -0.178 4.162 4.340 0.000 0.000 0.208 68 L C 2.419 179.220 176.870 -0.115 0.000 1.077 68 L CA 2.299 57.004 54.840 -0.224 0.000 0.747 68 L CB -0.809 41.042 42.059 -0.348 0.000 0.896 68 L HN 0.286 nan 8.230 nan 0.000 0.432 69 K N -0.414 119.936 120.400 -0.084 0.000 2.063 69 K HA -0.221 4.099 4.320 0.000 0.000 0.208 69 K C 1.941 178.523 176.600 -0.030 0.000 1.048 69 K CA 1.965 58.225 56.287 -0.046 0.000 0.928 69 K CB -0.150 32.333 32.500 -0.029 0.000 0.713 69 K HN 0.511 nan 8.250 nan 0.000 0.442 70 E N 0.117 120.305 120.200 -0.020 0.000 2.077 70 E HA -0.208 4.142 4.350 0.000 0.000 0.193 70 E C 2.095 178.694 176.600 -0.001 0.000 0.989 70 E CA 1.687 58.087 56.400 -0.000 0.000 0.800 70 E CB -0.096 29.616 29.700 0.020 0.000 0.746 70 E HN 0.369 nan 8.360 nan 0.000 0.452 71 M N 0.542 120.139 119.600 -0.006 0.000 2.132 71 M HA -0.162 4.318 4.480 0.000 0.000 0.263 71 M C 2.138 178.414 176.300 -0.040 0.000 1.065 71 M CA 1.437 56.727 55.300 -0.016 0.000 1.122 71 M CB -0.098 32.493 32.600 -0.014 0.000 1.365 71 M HN -0.059 nan 8.290 nan 0.000 0.411 72 K N 0.272 120.646 120.400 -0.044 0.000 2.097 72 K HA -0.095 4.225 4.320 0.000 0.000 0.206 72 K C 2.104 178.689 176.600 -0.026 0.000 1.049 72 K CA 1.394 57.657 56.287 -0.040 0.000 0.933 72 K CB -0.276 32.199 32.500 -0.041 0.000 0.717 72 K HN 0.301 nan 8.250 nan 0.000 0.442 73 A N 1.988 124.796 122.820 -0.021 0.000 1.902 73 A HA -0.215 4.105 4.320 0.000 0.000 0.217 73 A C 1.902 179.477 177.584 -0.016 0.000 1.181 73 A CA 1.586 53.615 52.037 -0.014 0.000 0.623 73 A CB -0.290 18.705 19.000 -0.008 0.000 0.818 73 A HN 0.197 nan 8.150 nan 0.000 0.443 74 K N -0.406 119.980 120.400 -0.022 0.000 2.057 74 K HA -0.035 4.285 4.320 0.000 0.000 0.206 74 K C 2.314 178.892 176.600 -0.036 0.000 1.050 74 K CA 1.052 57.320 56.287 -0.031 0.000 0.935 74 K CB -0.349 32.125 32.500 -0.043 0.000 0.715 74 K HN 0.431 nan 8.250 nan 0.000 0.439 75 A N 1.270 124.067 122.820 -0.038 0.000 1.978 75 A HA -0.160 4.160 4.320 0.000 0.000 0.220 75 A C 2.092 179.668 177.584 -0.013 0.000 1.170 75 A CA 1.835 53.854 52.037 -0.029 0.000 0.636 75 A CB -0.492 18.493 19.000 -0.025 0.000 0.810 75 A HN 0.190 nan 8.150 nan 0.000 0.448 76 S N -0.380 115.314 115.700 -0.011 0.000 2.507 76 S HA -0.088 4.382 4.470 0.000 0.000 0.235 76 S C 1.881 176.478 174.600 -0.004 0.000 0.988 76 S CA 1.467 59.665 58.200 -0.004 0.000 0.944 76 S CB -0.499 62.699 63.200 -0.004 0.000 0.762 76 S HN 0.911 nan 8.310 nan 0.000 0.526 77 T N -0.910 113.637 114.554 -0.011 0.000 3.081 77 T HA 0.171 4.521 4.350 0.000 0.000 0.255 77 T C 0.532 175.225 174.700 -0.012 0.000 1.113 77 T CA -0.052 62.041 62.100 -0.011 0.000 1.082 77 T CB -0.268 68.591 68.868 -0.015 0.000 0.939 77 T HN 0.039 nan 8.240 nan 0.000 0.506 78 V N 2.091 121.997 119.914 -0.013 0.000 2.498 78 V HA 0.378 4.498 4.120 0.000 0.000 0.279 78 V C 0.126 176.218 176.094 -0.003 0.000 1.048 78 V CA -0.799 61.492 62.300 -0.015 0.000 0.967 78 V CB 1.173 32.983 31.823 -0.023 0.000 0.988 78 V HN 0.392 nan 8.190 nan 0.000 0.473 79 K N 3.808 124.206 120.400 -0.003 0.000 2.274 79 K HA 0.770 5.090 4.320 0.000 0.000 0.262 79 K C -0.649 175.955 176.600 0.006 0.000 0.961 79 K CA -0.411 55.880 56.287 0.005 0.000 0.833 79 K CB 1.497 34.001 32.500 0.006 0.000 1.102 79 K HN 0.820 nan 8.250 nan 0.000 0.436 80 A N 3.842 126.670 122.820 0.014 0.000 2.401 80 A HA 0.480 4.800 4.320 0.000 0.000 0.310 80 A C -1.328 176.273 177.584 0.028 0.000 1.075 80 A CA -0.945 51.101 52.037 0.015 0.000 0.746 80 A CB 1.049 20.054 19.000 0.010 0.000 1.277 80 A HN 0.841 nan 8.150 nan 0.000 0.425 81 K N 1.591 122.010 120.400 0.032 0.000 2.123 81 K HA 0.678 4.998 4.320 0.000 0.000 0.259 81 K C -1.005 175.621 176.600 0.044 0.000 0.960 81 K CA -0.676 55.631 56.287 0.035 0.000 0.872 81 K CB 1.199 33.716 32.500 0.028 0.000 1.079 81 K HN 0.382 nan 8.250 nan 0.000 0.440 82 L N 3.173 124.417 121.223 0.035 0.000 2.416 82 L HA 0.202 4.542 4.340 0.000 0.000 0.272 82 L C -0.761 176.090 176.870 -0.031 0.000 1.161 82 L CA -0.244 54.604 54.840 0.014 0.000 0.845 82 L CB 0.523 42.587 42.059 0.009 0.000 1.119 82 L HN 0.652 nan 8.230 nan 0.000 0.464 83 L N 3.029 124.216 121.223 -0.060 0.000 2.399 83 L HA 0.419 4.759 4.340 0.000 0.000 0.266 83 L C 0.585 177.346 176.870 -0.182 0.000 1.114 83 L CA 0.204 54.987 54.840 -0.095 0.000 0.804 83 L CB 1.329 43.336 42.059 -0.086 0.000 1.146 83 L HN 0.837 nan 8.230 nan 0.000 0.451 84 S N 0.980 116.585 115.700 -0.158 0.000 2.608 84 S HA 0.214 4.684 4.470 0.000 0.000 0.261 84 S C 1.279 175.743 174.600 -0.228 0.000 1.314 84 S CA -0.621 57.468 58.200 -0.185 0.000 0.992 84 S CB 0.704 63.831 63.200 -0.122 0.000 0.935 84 S HN 0.320 nan 8.310 nan 0.000 0.564 85 V N 2.134 121.896 119.914 -0.255 0.000 2.295 85 V HA -0.180 3.940 4.120 0.000 0.000 0.246 85 V C 2.908 178.880 176.094 -0.204 0.000 1.049 85 V CA 2.198 64.324 62.300 -0.290 0.000 1.024 85 V CB -1.273 30.298 31.823 -0.420 0.000 0.648 85 V HN 1.004 nan 8.190 nan 0.000 0.447 86 E N 0.619 120.727 120.200 -0.154 0.000 2.110 86 E HA -0.281 4.069 4.350 0.000 0.000 0.193 86 E C 1.895 178.421 176.600 -0.124 0.000 0.988 86 E CA 1.649 57.976 56.400 -0.122 0.000 0.804 86 E CB -0.418 29.229 29.700 -0.089 0.000 0.745 86 E HN 0.727 nan 8.360 nan 0.000 0.458 87 E N 1.231 121.352 120.200 -0.131 0.000 2.047 87 E HA -0.094 4.256 4.350 0.000 0.000 0.191 87 E C 2.187 178.680 176.600 -0.178 0.000 0.987 87 E CA 1.175 57.492 56.400 -0.139 0.000 0.799 87 E CB -0.159 29.465 29.700 -0.126 0.000 0.752 87 E HN 0.392 nan 8.360 nan 0.000 0.449 88 A N 0.775 123.485 122.820 -0.184 0.000 1.902 88 A HA -0.194 4.126 4.320 0.000 0.000 0.217 88 A C 2.423 179.911 177.584 -0.160 0.000 1.181 88 A CA 1.155 53.079 52.037 -0.189 0.000 0.623 88 A CB -0.903 18.000 19.000 -0.162 0.000 0.818 88 A HN 0.368 nan 8.150 nan 0.000 0.443 89 C N -0.268 118.946 119.300 -0.143 0.000 2.401 89 C HA -0.094 4.366 4.460 0.000 0.000 0.276 89 C C 2.591 177.510 174.990 -0.119 0.000 1.233 89 C CA 1.339 60.285 59.018 -0.120 0.000 1.753 89 C CB -0.772 26.896 27.740 -0.120 0.000 2.029 89 C HN 0.479 nan 8.230 nan 0.000 0.478 90 K N 0.740 121.068 120.400 -0.120 0.000 2.362 90 K HA 0.083 4.403 4.320 0.000 0.000 0.200 90 K C 1.434 177.987 176.600 -0.078 0.000 1.046 90 K CA 0.831 57.060 56.287 -0.096 0.000 0.952 90 K CB -0.424 32.027 32.500 -0.083 0.000 0.753 90 K HN 0.549 nan 8.250 nan 0.000 0.466 91 L N 0.911 122.051 121.223 -0.139 0.000 2.599 91 L HA 0.016 4.356 4.340 0.000 0.000 0.230 91 L C 0.339 177.149 176.870 -0.099 0.000 1.141 91 L CA 0.185 54.935 54.840 -0.151 0.000 0.877 91 L CB -0.235 41.613 42.059 -0.353 0.000 1.009 91 L HN -0.130 nan 8.230 nan 0.000 0.447 92 T N 1.602 116.091 114.554 -0.109 0.000 2.794 92 T HA 0.223 4.573 4.350 0.000 0.000 0.296 92 T C -2.305 172.266 174.700 -0.215 0.000 0.949 92 T CA -1.179 60.847 62.100 -0.122 0.000 1.101 92 T CB 0.977 69.781 68.868 -0.106 0.000 0.905 92 T HN -0.152 nan 8.240 nan 0.000 0.516 93 P HA 0.118 nan 4.420 nan 0.000 0.266 93 P C -1.891 175.165 177.300 -0.407 0.000 1.195 93 P CA -1.284 61.633 63.100 -0.304 0.000 0.768 93 P CB 0.163 31.808 31.700 -0.090 0.000 0.838 94 P HA -0.153 nan 4.420 nan 0.000 0.219 94 P C 0.567 177.527 177.300 -0.567 0.000 1.146 94 P CA 1.657 64.394 63.100 -0.605 0.000 0.808 94 P CB -0.093 31.161 31.700 -0.743 0.000 0.779 95 H N -2.218 116.767 119.070 -0.141 0.000 2.487 95 H HA 0.271 4.827 4.556 -0.000 0.000 0.290 95 H C 0.463 175.733 175.328 -0.098 0.000 1.081 95 H CA -0.288 55.704 56.048 -0.095 0.000 1.116 95 H CB -0.033 29.688 29.762 -0.068 0.000 1.560 95 H HN 0.045 nan 8.280 nan 0.000 0.548 96 S N 1.095 116.764 115.700 -0.051 0.000 2.563 96 S HA 0.275 4.745 4.470 0.000 0.000 0.284 96 S C 0.692 175.255 174.600 -0.061 0.000 1.331 96 S CA -0.468 57.687 58.200 -0.075 0.000 1.047 96 S CB 0.374 63.525 63.200 -0.081 0.000 0.859 96 S HN 0.533 nan 8.310 nan 0.000 0.514 97 A N 4.220 126.978 122.820 -0.103 0.000 2.540 97 A HA 0.263 4.583 4.320 0.000 0.000 0.239 97 A C 0.510 178.088 177.584 -0.011 0.000 1.061 97 A CA -0.193 51.812 52.037 -0.054 0.000 0.758 97 A CB -0.162 18.794 19.000 -0.073 0.000 0.991 97 A HN 0.855 nan 8.150 nan 0.000 0.502 98 K N 2.050 122.440 120.400 -0.017 0.000 2.230 98 K HA 0.346 4.666 4.320 0.000 0.000 0.253 98 K C 0.361 176.893 176.600 -0.113 0.000 1.008 98 K CA -0.044 56.205 56.287 -0.065 0.000 0.910 98 K CB 0.390 32.848 32.500 -0.070 0.000 0.994 98 K HN 0.416 nan 8.250 nan 0.000 0.495 99 S N 0.063 115.588 115.700 -0.293 0.000 2.585 99 S HA 0.200 4.670 4.470 0.000 0.000 0.273 99 S C 1.276 175.668 174.600 -0.347 0.000 1.339 99 S CA 0.082 58.055 58.200 -0.378 0.000 1.028 99 S CB 0.744 63.359 63.200 -0.974 0.000 0.906 99 S HN 0.703 nan 8.310 nan 0.000 0.528 100 K N 2.942 123.116 120.400 -0.377 0.000 2.504 100 K HA 0.133 4.453 4.320 0.000 0.000 0.195 100 K C 0.613 176.751 176.600 -0.770 0.000 1.036 100 K CA 1.151 57.085 56.287 -0.588 0.000 0.984 100 K CB -0.706 31.354 32.500 -0.733 0.000 0.788 100 K HN 0.759 nan 8.250 nan 0.000 0.488 101 F N -0.103 119.646 119.950 -0.336 0.000 2.750 101 F HA 0.408 4.935 4.527 -0.000 0.000 0.297 101 F C 1.482 177.156 175.800 -0.209 0.000 1.138 101 F CA -0.131 57.681 58.000 -0.314 0.000 1.346 101 F CB 0.564 39.228 39.000 -0.560 0.000 0.965 101 F HN 0.250 nan 8.300 nan 0.000 0.514 102 G N 0.295 109.021 108.800 -0.123 0.000 2.134 102 G HA2 -0.260 3.700 3.960 0.000 0.000 0.209 102 G HA3 -0.260 3.700 3.960 0.000 0.000 0.209 102 G C -0.347 174.615 174.900 0.103 0.000 0.993 102 G CA 0.014 45.117 45.100 0.004 0.000 0.669 102 G HN 0.518 nan 8.290 nan 0.000 0.519 103 Y N -2.140 118.157 120.300 -0.004 0.000 2.625 103 Y HA 0.806 5.356 4.550 -0.000 0.000 0.338 103 Y C 0.405 176.307 175.900 0.004 0.000 1.123 103 Y CA -1.110 56.991 58.100 0.002 0.000 1.046 103 Y CB 0.693 39.160 38.460 0.012 0.000 1.299 103 Y HN 0.627 nan 8.280 nan 0.000 0.464 104 G N -0.212 108.675 108.800 0.145 0.000 3.108 104 G HA2 0.533 4.493 3.960 0.000 0.000 0.268 104 G HA3 0.533 4.493 3.960 0.000 0.000 0.268 104 G C 0.182 175.149 174.900 0.111 0.000 1.361 104 G CA -0.781 44.352 45.100 0.055 0.000 1.047 104 G HN 1.160 nan 8.290 nan 0.000 0.540 105 A N -0.559 122.275 122.820 0.025 0.000 1.972 105 A HA 0.019 4.339 4.320 0.000 0.000 0.219 105 A C 2.160 179.709 177.584 -0.058 0.000 1.169 105 A CA 1.926 53.952 52.037 -0.018 0.000 0.635 105 A CB -0.332 18.617 19.000 -0.084 0.000 0.810 105 A HN 0.555 nan 8.150 nan 0.000 0.446 106 K N -0.109 120.254 120.400 -0.062 0.000 2.155 106 K HA -0.083 4.237 4.320 0.000 0.000 0.203 106 K C 1.324 177.898 176.600 -0.043 0.000 1.052 106 K CA 1.280 57.518 56.287 -0.082 0.000 0.948 106 K CB -0.083 32.369 32.500 -0.080 0.000 0.728 106 K HN 0.417 nan 8.250 nan 0.000 0.448 107 D N 0.301 120.707 120.400 0.010 0.000 2.144 107 D HA -0.135 4.505 4.640 0.000 0.000 0.199 107 D C 1.899 178.187 176.300 -0.020 0.000 0.984 107 D CA 0.946 54.956 54.000 0.017 0.000 0.834 107 D CB -0.205 40.648 40.800 0.088 0.000 0.955 107 D HN -0.049 nan 8.370 nan 0.000 0.465 108 V N 1.304 121.223 119.914 0.007 0.000 2.270 108 V HA -0.218 3.902 4.120 0.000 0.000 0.245 108 V C 2.519 178.567 176.094 -0.076 0.000 1.043 108 V CA 1.544 63.822 62.300 -0.036 0.000 1.014 108 V CB -0.345 31.491 31.823 0.023 0.000 0.645 108 V HN 0.123 nan 8.190 nan 0.000 0.447 109 R N 0.345 120.791 120.500 -0.090 0.000 2.127 109 R HA -0.128 4.212 4.340 0.000 0.000 0.238 109 R C 1.804 178.048 176.300 -0.092 0.000 1.134 109 R CA 1.445 57.475 56.100 -0.115 0.000 0.975 109 R CB -0.396 29.803 30.300 -0.168 0.000 0.865 109 R HN 0.490 nan 8.270 nan 0.000 0.447 110 N N 0.749 119.403 118.700 -0.077 0.000 2.461 110 N HA 0.047 4.787 4.740 0.000 0.000 0.188 110 N C 0.254 175.727 175.510 -0.061 0.000 1.134 110 N CA 0.322 53.334 53.050 -0.062 0.000 0.878 110 N CB 0.127 38.584 38.487 -0.050 0.000 0.972 110 N HN 0.144 nan 8.380 nan 0.000 0.456 111 L N 0.316 121.494 121.223 -0.074 0.000 3.717 111 L HA -0.234 4.106 4.340 0.000 0.000 0.414 111 L C 0.212 177.038 176.870 -0.074 0.000 1.228 111 L CA 0.019 54.811 54.840 -0.080 0.000 0.918 111 L CB -2.697 39.321 42.059 -0.069 0.000 1.865 111 L HN 0.156 nan 8.230 nan 0.000 0.922 112 S N -1.765 113.889 115.700 -0.076 0.000 2.563 112 S HA 0.206 4.676 4.470 0.000 0.000 0.284 112 S C 1.410 175.961 174.600 -0.082 0.000 1.331 112 S CA 0.177 58.338 58.200 -0.066 0.000 1.047 112 S CB 1.752 64.919 63.200 -0.054 0.000 0.859 112 S HN 0.290 nan 8.310 nan 0.000 0.514 113 S N 2.512 118.180 115.700 -0.053 0.000 2.353 113 S HA -0.161 4.309 4.470 0.000 0.000 0.222 113 S C 1.832 176.397 174.600 -0.059 0.000 1.035 113 S CA 1.640 59.815 58.200 -0.041 0.000 1.025 113 S CB -0.586 62.602 63.200 -0.019 0.000 0.902 113 S HN 0.861 nan 8.310 nan 0.000 0.440 114 K N 1.019 121.384 120.400 -0.060 0.000 2.020 114 K HA -0.185 4.135 4.320 0.000 0.000 0.212 114 K C 2.216 178.670 176.600 -0.244 0.000 1.050 114 K CA 1.462 57.710 56.287 -0.065 0.000 0.929 114 K CB -0.388 32.113 32.500 0.003 0.000 0.714 114 K HN 0.318 nan 8.250 nan 0.000 0.443 115 A N 0.388 122.938 122.820 -0.449 0.000 1.855 115 A HA -0.114 4.206 4.320 0.000 0.000 0.215 115 A C 2.272 179.564 177.584 -0.486 0.000 1.191 115 A CA 1.731 53.207 52.037 -0.935 0.000 0.613 115 A CB -0.780 17.798 19.000 -0.703 0.000 0.829 115 A HN 0.178 nan 8.150 nan 0.000 0.442 116 V N 1.278 121.032 119.914 -0.266 0.000 2.324 116 V HA -0.307 3.813 4.120 0.000 0.000 0.250 116 V C 2.318 178.366 176.094 -0.076 0.000 1.060 116 V CA 2.263 64.454 62.300 -0.182 0.000 1.042 116 V CB -1.047 30.723 31.823 -0.089 0.000 0.650 116 V HN 0.562 nan 8.190 nan 0.000 0.450 117 N N -0.768 117.933 118.700 0.002 0.000 2.142 117 N HA -0.174 4.566 4.740 0.000 0.000 0.186 117 N C 1.876 177.428 175.510 0.070 0.000 1.023 117 N CA 1.538 54.642 53.050 0.090 0.000 0.852 117 N CB -0.590 37.931 38.487 0.056 0.000 0.998 117 N HN 0.657 nan 8.380 nan 0.000 0.424 118 H N 0.900 119.928 119.070 -0.069 0.000 2.357 118 H HA 0.037 4.593 4.556 0.000 0.000 0.301 118 H C 2.031 177.346 175.328 -0.022 0.000 1.082 118 H CA 1.012 57.046 56.048 -0.024 0.000 1.342 118 H CB 0.028 29.839 29.762 0.081 0.000 1.389 118 H HN 0.122 nan 8.280 nan 0.000 0.511 119 I N 0.232 120.712 120.570 -0.150 0.000 2.208 119 I HA -0.299 3.871 4.170 0.000 0.000 0.245 119 I C 2.339 178.362 176.117 -0.156 0.000 1.097 119 I CA 1.449 62.641 61.300 -0.180 0.000 1.363 119 I CB -0.431 37.449 38.000 -0.199 0.000 1.051 119 I HN 0.333 nan 8.210 nan 0.000 0.413 120 H N -0.052 118.976 119.070 -0.070 0.000 2.352 120 H HA -0.166 4.390 4.556 -0.000 0.000 0.299 120 H C 2.538 177.868 175.328 0.004 0.000 1.097 120 H CA 1.872 57.911 56.048 -0.016 0.000 1.311 120 H CB -0.001 29.740 29.762 -0.035 0.000 1.377 120 H HN 0.385 nan 8.280 nan 0.000 0.504 121 S N -0.073 115.646 115.700 0.031 0.000 2.406 121 S HA -0.096 4.374 4.470 0.000 0.000 0.228 121 S C 2.222 176.753 174.600 -0.115 0.000 1.020 121 S CA 0.955 59.129 58.200 -0.044 0.000 0.965 121 S CB -0.544 62.608 63.200 -0.081 0.000 0.798 121 S HN 0.145 nan 8.310 nan 0.000 0.488 122 V N 0.997 120.781 119.914 -0.216 0.000 2.307 122 V HA -0.129 3.991 4.120 0.000 0.000 0.245 122 V C 2.251 178.334 176.094 -0.017 0.000 1.045 122 V CA 1.816 64.008 62.300 -0.179 0.000 1.024 122 V CB -1.144 30.544 31.823 -0.225 0.000 0.651 122 V HN 0.707 nan 8.190 nan 0.000 0.449 123 W N 1.383 122.613 121.300 -0.117 0.000 2.318 123 W HA -0.270 4.390 4.660 0.000 0.000 0.313 123 W C 2.563 179.055 176.519 -0.045 0.000 1.221 123 W CA 2.493 59.800 57.345 -0.064 0.000 1.266 123 W CB -0.172 29.266 29.460 -0.037 0.000 1.150 123 W HN 0.232 nan 8.180 nan 0.000 0.496 124 K N 0.454 120.911 120.400 0.096 0.000 2.057 124 K HA -0.266 4.054 4.320 0.000 0.000 0.207 124 K C 1.732 178.273 176.600 -0.099 0.000 1.049 124 K CA 2.228 58.514 56.287 -0.002 0.000 0.931 124 K CB -0.595 31.936 32.500 0.051 0.000 0.714 124 K HN 0.034 nan 8.250 nan 0.000 0.440 125 D N 0.323 120.666 120.400 -0.096 0.000 2.144 125 D HA -0.148 4.492 4.640 0.000 0.000 0.199 125 D C 1.978 178.184 176.300 -0.157 0.000 0.984 125 D CA 0.976 54.910 54.000 -0.109 0.000 0.834 125 D CB 0.062 40.803 40.800 -0.099 0.000 0.955 125 D HN 0.191 nan 8.370 nan 0.000 0.465 126 L N -0.062 121.025 121.223 -0.227 0.000 2.083 126 L HA -0.147 4.193 4.340 0.000 0.000 0.209 126 L C 2.450 179.127 176.870 -0.321 0.000 1.083 126 L CA 0.668 55.330 54.840 -0.296 0.000 0.752 126 L CB -0.363 41.444 42.059 -0.420 0.000 0.899 126 L HN 0.236 nan 8.230 nan 0.000 0.433 127 L N -0.749 120.250 121.223 -0.373 0.000 2.093 127 L HA -0.172 4.168 4.340 0.000 0.000 0.208 127 L C 2.208 178.980 176.870 -0.164 0.000 1.085 127 L CA 1.277 55.945 54.840 -0.287 0.000 0.755 127 L CB -0.412 41.484 42.059 -0.272 0.000 0.904 127 L HN 0.304 nan 8.230 nan 0.000 0.435 128 E N -1.130 118.990 120.200 -0.134 0.000 2.385 128 E HA -0.046 4.304 4.350 0.000 0.000 0.194 128 E C 0.160 176.714 176.600 -0.076 0.000 1.013 128 E CA 0.141 56.490 56.400 -0.086 0.000 0.866 128 E CB 0.397 30.058 29.700 -0.065 0.000 0.832 128 E HN 0.184 nan 8.360 nan 0.000 0.500 129 D N 0.226 120.571 120.400 -0.091 0.000 2.542 129 D HA 0.041 4.681 4.640 0.000 0.000 0.252 129 D C -0.077 176.173 176.300 -0.084 0.000 1.222 129 D CA -0.270 53.686 54.000 -0.073 0.000 0.895 129 D CB 1.462 42.223 40.800 -0.065 0.000 1.207 129 D HN -0.037 nan 8.370 nan 0.000 0.558 130 T N 0.285 114.798 114.554 -0.068 0.000 3.174 130 T HA 0.191 4.541 4.350 0.000 0.000 0.269 130 T C 1.259 175.931 174.700 -0.048 0.000 1.017 130 T CA 0.454 62.514 62.100 -0.067 0.000 0.899 130 T CB -0.132 68.701 68.868 -0.058 0.000 1.077 130 T HN 0.191 nan 8.240 nan 0.000 0.552 131 V N -2.524 117.366 119.914 -0.040 0.000 3.219 131 V HA 0.360 4.480 4.120 0.000 0.000 0.240 131 V C 0.769 176.853 176.094 -0.017 0.000 1.222 131 V CA 0.020 62.306 62.300 -0.025 0.000 1.181 131 V CB -0.509 31.303 31.823 -0.019 0.000 0.941 131 V HN 0.295 nan 8.190 nan 0.000 0.471 132 T N 4.515 119.056 114.554 -0.021 0.000 2.769 132 T HA 0.356 4.706 4.350 0.000 0.000 0.293 132 T C -2.497 172.200 174.700 -0.005 0.000 0.931 132 T CA -0.402 61.693 62.100 -0.008 0.000 1.139 132 T CB 0.692 69.555 68.868 -0.009 0.000 0.881 132 T HN 0.356 nan 8.240 nan 0.000 0.532 133 P HA 0.124 nan 4.420 nan 0.000 0.264 133 P C -0.246 177.051 177.300 -0.005 0.000 1.183 133 P CA -0.031 63.080 63.100 0.019 0.000 0.763 133 P CB 0.313 32.066 31.700 0.089 0.000 0.807 134 I N 2.546 123.095 120.570 -0.033 0.000 2.365 134 I HA 0.129 4.299 4.170 0.000 0.000 0.291 134 I C 0.928 177.026 176.117 -0.032 0.000 1.004 134 I CA -0.414 60.870 61.300 -0.027 0.000 1.311 134 I CB 0.701 38.674 38.000 -0.045 0.000 1.401 134 I HN 0.313 nan 8.210 nan 0.000 0.491 135 D N 4.515 124.913 120.400 -0.003 0.000 2.443 135 D HA 0.153 4.793 4.640 0.000 0.000 0.239 135 D C -0.273 175.996 176.300 -0.052 0.000 1.136 135 D CA 0.295 54.282 54.000 -0.022 0.000 0.879 135 D CB 0.787 41.594 40.800 0.011 0.000 1.195 135 D HN 0.607 nan 8.370 nan 0.000 0.443 136 T N -0.526 113.967 114.554 -0.103 0.000 2.916 136 T HA 0.617 4.967 4.350 0.000 0.000 0.292 136 T C -0.316 174.236 174.700 -0.247 0.000 1.055 136 T CA -0.964 61.037 62.100 -0.164 0.000 1.009 136 T CB 1.556 70.346 68.868 -0.130 0.000 1.118 136 T HN 0.212 nan 8.240 nan 0.000 0.497 137 T N 2.188 116.443 114.554 -0.498 0.000 2.829 137 T HA 0.581 4.931 4.350 0.000 0.000 0.282 137 T C -0.370 174.056 174.700 -0.456 0.000 0.990 137 T CA -0.581 61.194 62.100 -0.543 0.000 1.028 137 T CB 0.750 69.126 68.868 -0.821 0.000 0.951 137 T HN 0.715 nan 8.240 nan 0.000 0.460 138 I N 4.103 124.575 120.570 -0.163 0.000 2.377 138 I HA 0.540 4.710 4.170 0.000 0.000 0.293 138 I C -0.926 175.223 176.117 0.053 0.000 0.987 138 I CA -0.746 60.552 61.300 -0.002 0.000 1.185 138 I CB 0.655 38.709 38.000 0.090 0.000 1.341 138 I HN 0.416 nan 8.210 nan 0.000 0.455 139 M N 6.212 125.895 119.600 0.137 0.000 2.593 139 M HA 0.516 4.996 4.480 0.000 0.000 0.290 139 M C -0.718 175.653 176.300 0.118 0.000 1.244 139 M CA -0.619 54.770 55.300 0.148 0.000 0.857 139 M CB 1.841 34.590 32.600 0.249 0.000 1.738 139 M HN 0.580 nan 8.290 nan 0.000 0.461 140 A N 1.838 124.707 122.820 0.081 0.000 2.301 140 A HA 0.542 4.862 4.320 0.000 0.000 0.298 140 A C -0.201 177.423 177.584 0.068 0.000 1.185 140 A CA -0.543 51.533 52.037 0.065 0.000 0.830 140 A CB 0.359 19.384 19.000 0.041 0.000 1.112 140 A HN 0.756 nan 8.150 nan 0.000 0.508 141 K N 1.913 122.354 120.400 0.069 0.000 2.350 141 K HA 0.103 4.423 4.320 0.000 0.000 0.279 141 K C -0.642 175.971 176.600 0.022 0.000 1.027 141 K CA 0.178 56.492 56.287 0.045 0.000 0.969 141 K CB 0.500 33.033 32.500 0.056 0.000 0.954 141 K HN 0.750 nan 8.250 nan 0.000 0.474 142 N N 2.980 121.663 118.700 -0.028 0.000 2.500 142 N HA 0.091 4.831 4.740 0.000 0.000 0.236 142 N C -1.173 174.217 175.510 -0.200 0.000 1.022 142 N CA -0.281 52.715 53.050 -0.089 0.000 0.935 142 N CB 0.865 39.296 38.487 -0.094 0.000 1.147 142 N HN 0.404 nan 8.380 nan 0.000 0.512 143 E N 0.828 120.894 120.200 -0.223 0.000 2.312 143 E HA 0.466 4.816 4.350 0.000 0.000 0.267 143 E C -0.943 175.220 176.600 -0.727 0.000 0.894 143 E CA -0.997 55.144 56.400 -0.432 0.000 0.773 143 E CB 2.523 32.035 29.700 -0.312 0.000 1.241 143 E HN 0.074 nan 8.360 nan 0.000 0.432 144 V N 2.899 122.222 119.914 -0.984 0.000 2.435 144 V HA 0.507 4.627 4.120 0.000 0.000 0.290 144 V C -0.859 174.526 176.094 -1.182 0.000 1.030 144 V CA -0.340 61.396 62.300 -0.941 0.000 0.881 144 V CB 0.278 31.692 31.823 -0.682 0.000 0.983 144 V HN 0.509 nan 8.190 nan 0.000 0.445 145 F N 2.123 121.736 119.950 -0.562 0.000 2.692 145 F HA 0.619 5.146 4.527 0.000 0.000 0.320 145 F C 0.070 175.697 175.800 -0.289 0.000 1.123 145 F CA -0.774 56.973 58.000 -0.422 0.000 0.961 145 F CB 1.284 40.019 39.000 -0.441 0.000 1.383 145 F HN 0.529 nan 8.300 nan 0.000 0.483 146 C N 2.518 121.922 119.300 0.173 0.000 2.358 146 C HA 0.801 5.261 4.460 0.000 0.000 0.342 146 C C 0.085 175.289 174.990 0.357 0.000 1.234 146 C CA -0.695 58.459 59.018 0.228 0.000 1.969 146 C CB 0.115 27.941 27.740 0.143 0.000 2.346 146 C HN 0.737 nan 8.230 nan 0.000 0.525 147 V N 3.569 123.715 119.914 0.386 0.000 2.872 147 V HA 0.566 4.686 4.120 0.000 0.000 0.307 147 V C 0.039 176.218 176.094 0.141 0.000 1.072 147 V CA 0.686 63.146 62.300 0.267 0.000 1.148 147 V CB 0.351 32.251 31.823 0.129 0.000 0.954 147 V HN 1.241 nan 8.190 nan 0.000 0.490 148 Q N 3.725 123.575 119.800 0.083 0.000 2.674 148 Q HA 0.499 4.839 4.340 0.000 0.000 0.249 148 Q C -1.570 174.438 176.000 0.013 0.000 1.011 148 Q CA -1.216 54.612 55.803 0.042 0.000 0.734 148 Q CB 0.509 29.264 28.738 0.029 0.000 1.201 148 Q HN 0.839 nan 8.270 nan 0.000 0.498 149 P HA -0.215 nan 4.420 nan 0.000 0.222 149 P C 0.686 177.981 177.300 -0.009 0.000 1.155 149 P CA 2.501 65.598 63.100 -0.004 0.000 0.890 149 P CB 0.282 31.980 31.700 -0.003 0.000 0.790 154 R N 0.897 121.307 120.500 -0.149 0.000 2.628 154 R HA 0.529 4.869 4.340 0.000 0.000 0.288 154 R C -0.871 175.376 176.300 -0.088 0.000 0.980 154 R CA -0.689 55.265 56.100 -0.244 0.000 0.891 154 R CB 2.216 32.213 30.300 -0.505 0.000 1.188 154 R HN 0.062 nan 8.270 nan 0.000 0.450 155 K N 3.042 123.456 120.400 0.022 0.000 2.249 155 K HA 0.258 4.578 4.320 0.000 0.000 0.280 155 K C -2.260 174.363 176.600 0.037 0.000 1.033 155 K CA -1.655 54.608 56.287 -0.040 0.000 0.946 155 K CB 0.537 32.882 32.500 -0.258 0.000 1.005 155 K HN 0.225 nan 8.250 nan 0.000 0.469 156 P HA -0.018 nan 4.420 nan 0.000 0.272 156 P C -0.803 176.536 177.300 0.066 0.000 1.230 156 P CA -0.333 62.786 63.100 0.033 0.000 0.788 156 P CB 0.525 32.228 31.700 0.004 0.000 0.949 157 A N 3.079 125.948 122.820 0.082 0.000 2.565 157 A HA 0.012 4.332 4.320 0.000 0.000 0.237 157 A C 0.538 178.169 177.584 0.079 0.000 1.053 157 A CA 0.168 52.264 52.037 0.098 0.000 0.755 157 A CB -0.361 18.683 19.000 0.074 0.000 0.980 157 A HN 0.440 nan 8.150 nan 0.000 0.506 158 R N 0.875 121.439 120.500 0.107 0.000 2.641 158 R HA 0.394 4.734 4.340 0.000 0.000 0.269 158 R C -0.563 175.794 176.300 0.095 0.000 1.074 158 R CA -0.164 55.998 56.100 0.103 0.000 1.133 158 R CB 0.348 30.725 30.300 0.128 0.000 1.029 158 R HN 0.670 nan 8.270 nan 0.000 0.488 159 L N 2.567 123.850 121.223 0.100 0.000 2.334 159 L HA 0.526 4.866 4.340 0.000 0.000 0.275 159 L C -0.247 176.712 176.870 0.150 0.000 1.036 159 L CA -0.900 54.005 54.840 0.108 0.000 0.807 159 L CB 1.211 43.322 42.059 0.086 0.000 1.231 159 L HN 0.463 nan 8.230 nan 0.000 0.438 160 I N 2.021 122.698 120.570 0.178 0.000 2.465 160 I HA 0.497 4.667 4.170 0.000 0.000 0.291 160 I C -0.969 175.331 176.117 0.305 0.000 1.014 160 I CA -0.331 61.110 61.300 0.236 0.000 1.093 160 I CB 1.933 40.065 38.000 0.221 0.000 1.267 160 I HN 0.197 nan 8.210 nan 0.000 0.431 161 V N 8.644 128.736 119.914 0.297 0.000 2.483 161 V HA 0.578 4.698 4.120 0.000 0.000 0.297 161 V C -0.880 175.381 176.094 0.279 0.000 1.027 161 V CA -0.493 61.935 62.300 0.213 0.000 0.855 161 V CB 1.110 33.034 31.823 0.169 0.000 0.995 161 V HN 0.577 nan 8.190 nan 0.000 0.424 162 F N 5.067 125.066 119.950 0.082 0.000 2.601 162 F HA 0.952 5.479 4.527 0.000 0.000 0.309 162 F C -3.065 172.777 175.800 0.070 0.000 1.089 162 F CA -2.768 55.280 58.000 0.080 0.000 0.940 162 F CB 1.764 40.807 39.000 0.072 0.000 1.273 162 F HN 0.292 nan 8.300 nan 0.000 0.450 163 P HA 0.190 nan 4.420 nan 0.000 0.279 163 P C -0.967 176.461 177.300 0.214 0.000 1.276 163 P CA -0.174 62.993 63.100 0.111 0.000 0.801 163 P CB 1.160 32.930 31.700 0.117 0.000 1.127 164 D N -0.738 119.770 120.400 0.181 0.000 2.390 164 D HA -0.079 4.561 4.640 0.000 0.000 0.236 164 D C 1.367 177.813 176.300 0.243 0.000 1.189 164 D CA -0.213 53.927 54.000 0.233 0.000 0.887 164 D CB 0.264 41.261 40.800 0.327 0.000 1.198 164 D HN 0.107 nan 8.370 nan 0.000 0.444 165 L N 3.201 124.549 121.223 0.208 0.000 2.051 165 L HA -0.046 4.294 4.340 0.000 0.000 0.214 165 L C 2.058 179.082 176.870 0.256 0.000 1.076 165 L CA 2.637 57.591 54.840 0.189 0.000 0.758 165 L CB -1.148 40.980 42.059 0.116 0.000 0.890 165 L HN 0.664 nan 8.230 nan 0.000 0.433 166 G N -1.231 107.787 108.800 0.362 0.000 2.446 166 G HA2 -0.227 3.733 3.960 0.000 0.000 0.217 166 G HA3 -0.227 3.733 3.960 0.000 0.000 0.217 166 G C 1.553 176.567 174.900 0.189 0.000 1.168 166 G CA 1.184 46.507 45.100 0.371 0.000 0.771 166 G HN 0.361 nan 8.290 nan 0.000 0.551 167 V N 0.806 120.825 119.914 0.175 0.000 2.343 167 V HA -0.200 3.920 4.120 0.000 0.000 0.247 167 V C 2.938 179.116 176.094 0.139 0.000 1.051 167 V CA 2.074 64.450 62.300 0.125 0.000 1.036 167 V CB -0.501 31.387 31.823 0.108 0.000 0.654 167 V HN 0.334 nan 8.190 nan 0.000 0.451 168 R N -0.338 120.256 120.500 0.156 0.000 2.096 168 R HA -0.126 4.214 4.340 0.000 0.000 0.235 168 R C 2.224 178.591 176.300 0.112 0.000 1.127 168 R CA 1.488 57.674 56.100 0.143 0.000 0.968 168 R CB -0.605 29.777 30.300 0.136 0.000 0.861 168 R HN 0.439 nan 8.270 nan 0.000 0.440 169 V N 0.386 120.359 119.914 0.098 0.000 2.407 169 V HA -0.291 3.829 4.120 0.000 0.000 0.248 169 V C 2.485 178.612 176.094 0.055 0.000 1.055 169 V CA 1.523 63.849 62.300 0.044 0.000 1.049 169 V CB -0.483 31.350 31.823 0.017 0.000 0.662 169 V HN 0.449 nan 8.190 nan 0.000 0.455 170 C N -0.028 119.347 119.300 0.124 0.000 2.425 170 C HA -0.144 4.316 4.460 0.000 0.000 0.277 170 C C 2.666 177.829 174.990 0.288 0.000 1.280 170 C CA 0.905 60.079 59.018 0.259 0.000 1.744 170 C CB -1.014 26.924 27.740 0.331 0.000 1.989 170 C HN 0.625 nan 8.230 nan 0.000 0.491 171 E N 0.828 121.151 120.200 0.206 0.000 2.085 171 E HA -0.233 4.117 4.350 0.000 0.000 0.194 171 E C 2.147 178.865 176.600 0.198 0.000 0.994 171 E CA 1.217 57.748 56.400 0.218 0.000 0.801 171 E CB -0.156 29.682 29.700 0.231 0.000 0.743 171 E HN 0.635 nan 8.360 nan 0.000 0.453 172 K N 0.385 120.871 120.400 0.144 0.000 2.026 172 K HA -0.124 4.196 4.320 0.000 0.000 0.208 172 K C 2.218 178.875 176.600 0.094 0.000 1.048 172 K CA 1.501 57.858 56.287 0.117 0.000 0.929 172 K CB -0.133 32.365 32.500 -0.004 0.000 0.713 172 K HN 0.090 nan 8.250 nan 0.000 0.439 173 M N 0.322 119.935 119.600 0.021 0.000 2.082 173 M HA -0.217 4.263 4.480 0.000 0.000 0.258 173 M C 2.419 178.752 176.300 0.055 0.000 1.069 173 M CA 1.949 57.195 55.300 -0.090 0.000 1.102 173 M CB -0.394 31.965 32.600 -0.401 0.000 1.336 173 M HN 0.235 nan 8.290 nan 0.000 0.404 174 A N -0.676 122.301 122.820 0.262 0.000 1.970 174 A HA 0.048 4.368 4.320 0.000 0.000 0.216 174 A C 1.899 179.583 177.584 0.167 0.000 1.170 174 A CA 1.234 53.466 52.037 0.325 0.000 0.645 174 A CB -0.208 19.024 19.000 0.387 0.000 0.816 174 A HN 0.503 nan 8.150 nan 0.000 0.447 175 L N -3.473 117.833 121.223 0.139 0.000 3.128 175 L HA 0.190 4.530 4.340 0.000 0.000 0.277 175 L C 1.828 178.730 176.870 0.053 0.000 1.171 175 L CA 0.022 54.887 54.840 0.042 0.000 1.008 175 L CB 0.070 42.130 42.059 0.002 0.000 1.442 175 L HN 0.425 nan 8.230 nan 0.000 0.584 176 Y N 1.564 121.876 120.300 0.021 0.000 2.081 176 Y HA -0.364 4.187 4.550 0.000 0.000 0.280 176 Y C 2.244 178.174 175.900 0.051 0.000 1.163 176 Y CA 2.384 60.510 58.100 0.043 0.000 1.135 176 Y CB 0.034 38.508 38.460 0.022 0.000 0.970 176 Y HN 0.228 nan 8.280 nan 0.000 0.498 177 D N -0.688 119.737 120.400 0.043 0.000 2.117 177 D HA -0.177 4.463 4.640 0.000 0.000 0.197 177 D C 2.275 178.512 176.300 -0.104 0.000 0.987 177 D CA 1.574 55.551 54.000 -0.038 0.000 0.829 177 D CB -0.324 40.502 40.800 0.044 0.000 0.961 177 D HN 0.262 nan 8.370 nan 0.000 0.460 178 V N 0.608 120.468 119.914 -0.090 0.000 2.233 178 V HA -0.259 3.861 4.120 0.000 0.000 0.247 178 V C 2.728 178.717 176.094 -0.176 0.000 1.050 178 V CA 2.027 64.251 62.300 -0.126 0.000 1.010 178 V CB -0.864 30.856 31.823 -0.171 0.000 0.637 178 V HN 0.339 nan 8.190 nan 0.000 0.444 179 V N -2.476 117.314 119.914 -0.207 0.000 2.913 179 V HA -0.111 4.009 4.120 0.000 0.000 0.260 179 V C 1.996 177.950 176.094 -0.232 0.000 1.098 179 V CA 2.159 64.336 62.300 -0.205 0.000 1.121 179 V CB -0.424 31.306 31.823 -0.155 0.000 0.714 179 V HN 0.456 nan 8.190 nan 0.000 0.487 180 S N -0.060 115.495 115.700 -0.241 0.000 2.486 180 S HA 0.046 4.516 4.470 0.000 0.000 0.220 180 S C 1.823 176.332 174.600 -0.151 0.000 1.011 180 S CA 1.256 59.331 58.200 -0.210 0.000 0.921 180 S CB 0.162 63.177 63.200 -0.309 0.000 0.785 180 S HN 0.779 nan 8.310 nan 0.000 0.517 181 T N 1.291 115.749 114.554 -0.160 0.000 3.058 181 T HA 0.286 4.636 4.350 0.000 0.000 0.247 181 T C 1.640 176.240 174.700 -0.167 0.000 0.987 181 T CA -0.140 61.883 62.100 -0.128 0.000 1.062 181 T CB -0.171 68.645 68.868 -0.086 0.000 1.048 181 T HN 0.151 nan 8.240 nan 0.000 0.468 182 L N 1.970 123.090 121.223 -0.171 0.000 2.017 182 L HA 0.012 4.352 4.340 0.000 0.000 0.208 182 L C -1.026 175.678 176.870 -0.277 0.000 1.073 182 L CA 1.532 56.275 54.840 -0.162 0.000 0.745 182 L CB -0.776 41.237 42.059 -0.076 0.000 0.894 182 L HN 0.124 nan 8.230 nan 0.000 0.432 183 P HA -0.240 nan 4.420 nan 0.000 0.215 183 P C 1.333 178.185 177.300 -0.746 0.000 1.157 183 P CA 1.344 63.997 63.100 -0.745 0.000 0.874 183 P CB -0.164 30.703 31.700 -1.388 0.000 0.790 184 Q N -0.008 119.407 119.800 -0.643 0.000 2.167 184 Q HA -0.100 4.240 4.340 0.000 0.000 0.202 184 Q C 1.947 177.822 176.000 -0.209 0.000 0.970 184 Q CA 1.387 57.011 55.803 -0.298 0.000 0.855 184 Q CB -0.712 27.953 28.738 -0.122 0.000 0.911 184 Q HN 0.079 nan 8.270 nan 0.000 0.438 185 V N 0.105 119.899 119.914 -0.198 0.000 2.358 185 V HA -0.209 3.911 4.120 0.000 0.000 0.246 185 V C 2.502 178.509 176.094 -0.145 0.000 1.047 185 V CA 1.427 63.646 62.300 -0.136 0.000 1.035 185 V CB -0.417 31.343 31.823 -0.105 0.000 0.658 185 V HN 0.135 nan 8.190 nan 0.000 0.452 186 V N -0.770 119.023 119.914 -0.201 0.000 2.379 186 V HA -0.178 3.942 4.120 0.000 0.000 0.245 186 V C 2.049 177.966 176.094 -0.294 0.000 1.044 186 V CA 2.124 64.297 62.300 -0.211 0.000 1.036 186 V CB -0.396 31.290 31.823 -0.228 0.000 0.664 186 V HN 0.465 nan 8.190 nan 0.000 0.453 187 M N -1.161 118.198 119.600 -0.400 0.000 2.382 187 M HA 0.344 4.824 4.480 0.000 0.000 0.247 187 M C 1.494 177.671 176.300 -0.205 0.000 1.104 187 M CA 0.710 55.692 55.300 -0.530 0.000 1.030 187 M CB 0.366 32.544 32.600 -0.702 0.000 1.424 187 M HN 0.462 nan 8.290 nan 0.000 0.486 188 G N 1.708 110.423 108.800 -0.142 0.000 2.652 188 G HA2 -0.423 3.537 3.960 0.000 0.000 0.318 188 G HA3 -0.423 3.537 3.960 0.000 0.000 0.318 188 G C 0.927 175.784 174.900 -0.072 0.000 1.295 188 G CA 1.121 46.179 45.100 -0.070 0.000 0.999 188 G HN 0.536 nan 8.290 nan 0.000 0.548 189 S N -0.781 114.900 115.700 -0.031 0.000 2.442 189 S HA -0.008 4.462 4.470 0.000 0.000 0.236 189 S C 2.252 176.696 174.600 -0.259 0.000 1.007 189 S CA 2.123 60.258 58.200 -0.109 0.000 0.965 189 S CB -0.260 62.979 63.200 0.065 0.000 0.773 189 S HN 1.025 nan 8.310 nan 0.000 0.504 190 S N 0.155 115.829 115.700 -0.044 0.000 2.481 190 S HA 0.096 4.566 4.470 0.000 0.000 0.231 190 S C 0.261 174.849 174.600 -0.020 0.000 0.996 190 S CA 0.006 58.230 58.200 0.040 0.000 0.942 190 S CB -0.450 62.897 63.200 0.245 0.000 0.768 190 S HN 0.703 nan 8.310 nan 0.000 0.520 191 Y N 3.042 123.196 120.300 -0.244 0.000 2.584 191 Y HA 0.432 4.982 4.550 -0.000 0.000 0.351 191 Y C 1.289 176.965 175.900 -0.373 0.000 1.030 191 Y CA -1.355 56.574 58.100 -0.285 0.000 1.332 191 Y CB -0.060 38.234 38.460 -0.277 0.000 1.148 191 Y HN 0.061 nan 8.280 nan 0.000 0.528 192 G N 4.477 112.819 108.800 -0.764 0.000 2.432 192 G HA2 -0.272 3.688 3.960 0.000 0.000 0.219 192 G HA3 -0.272 3.688 3.960 0.000 0.000 0.219 192 G C 1.061 175.418 174.900 -0.904 0.000 1.135 192 G CA 0.353 45.017 45.100 -0.727 0.000 0.767 192 G HN 0.644 nan 8.290 nan 0.000 0.550 193 F N 1.304 120.546 119.950 -1.181 0.000 2.748 193 F HA 0.062 4.589 4.527 0.000 0.000 0.299 193 F C 2.797 178.397 175.800 -0.333 0.000 1.154 193 F CA 0.813 58.281 58.000 -0.886 0.000 1.446 193 F CB -0.074 38.400 39.000 -0.877 0.000 1.112 193 F HN 0.359 nan 8.300 nan 0.000 0.584 194 Q N -0.457 119.110 119.800 -0.389 0.000 2.435 194 Q HA -0.105 4.235 4.340 0.000 0.000 0.207 194 Q C -0.603 175.279 176.000 -0.196 0.000 0.956 194 Q CA 0.873 56.538 55.803 -0.230 0.000 0.917 194 Q CB -0.303 28.203 28.738 -0.387 0.000 0.997 194 Q HN 0.304 nan 8.270 nan 0.000 0.497 195 Y N 1.817 122.145 120.300 0.048 0.000 2.341 195 Y HA 0.305 4.855 4.550 -0.000 0.000 0.337 195 Y C 0.550 176.402 175.900 -0.079 0.000 1.014 195 Y CA -1.309 56.775 58.100 -0.027 0.000 1.111 195 Y CB 1.480 39.873 38.460 -0.112 0.000 1.194 195 Y HN 0.098 nan 8.280 nan 0.000 0.462 196 S N 2.810 118.328 115.700 -0.302 0.000 2.596 196 S HA 0.135 4.605 4.470 0.000 0.000 0.260 196 S C -1.940 172.380 174.600 -0.468 0.000 1.336 196 S CA -0.906 56.633 58.200 -1.102 0.000 0.993 196 S CB 0.882 63.406 63.200 -1.128 0.000 0.923 196 S HN 0.451 nan 8.310 nan 0.000 0.567 197 P HA -0.000 nan 4.420 nan 0.000 0.216 197 P C 1.686 178.913 177.300 -0.121 0.000 1.150 197 P CA 1.698 64.692 63.100 -0.178 0.000 0.837 197 P CB -0.520 31.108 31.700 -0.119 0.000 0.786 198 G N -0.423 108.272 108.800 -0.176 0.000 2.408 198 G HA2 -0.247 3.713 3.960 0.000 0.000 0.217 198 G HA3 -0.247 3.713 3.960 0.000 0.000 0.217 198 G C 1.524 176.365 174.900 -0.100 0.000 1.150 198 G CA 0.470 45.518 45.100 -0.088 0.000 0.776 198 G HN 0.304 nan 8.290 nan 0.000 0.542 199 Q N -0.530 119.190 119.800 -0.133 0.000 2.172 199 Q HA 0.040 4.380 4.340 0.000 0.000 0.200 199 Q C 2.556 178.387 176.000 -0.282 0.000 0.964 199 Q CA 0.711 56.444 55.803 -0.117 0.000 0.855 199 Q CB -0.087 28.668 28.738 0.028 0.000 0.918 199 Q HN 0.459 nan 8.270 nan 0.000 0.444 200 R N 0.392 120.765 120.500 -0.213 0.000 2.075 200 R HA -0.124 4.216 4.340 0.000 0.000 0.232 200 R C 2.022 178.219 176.300 -0.172 0.000 1.126 200 R CA 1.174 57.126 56.100 -0.246 0.000 0.963 200 R CB -0.108 30.153 30.300 -0.066 0.000 0.858 200 R HN 0.093 nan 8.270 nan 0.000 0.435 201 V N 1.502 121.343 119.914 -0.121 0.000 2.295 201 V HA -0.248 3.872 4.120 0.000 0.000 0.246 201 V C 2.383 178.386 176.094 -0.151 0.000 1.049 201 V CA 2.272 64.502 62.300 -0.115 0.000 1.024 201 V CB -0.608 31.184 31.823 -0.051 0.000 0.648 201 V HN 0.512 nan 8.190 nan 0.000 0.447 202 E N -0.229 119.895 120.200 -0.126 0.000 2.038 202 E HA -0.296 4.054 4.350 0.000 0.000 0.195 202 E C 2.137 178.657 176.600 -0.135 0.000 1.000 202 E CA 1.891 58.222 56.400 -0.116 0.000 0.803 202 E CB -0.298 29.358 29.700 -0.074 0.000 0.750 202 E HN 0.508 nan 8.360 nan 0.000 0.448 203 F N 1.240 120.987 119.950 -0.339 0.000 2.095 203 F HA -0.198 4.329 4.527 0.000 0.000 0.298 203 F C 1.980 177.643 175.800 -0.228 0.000 1.104 203 F CA 1.580 59.374 58.000 -0.344 0.000 1.232 203 F CB -0.296 38.316 39.000 -0.645 0.000 0.987 203 F HN 0.036 nan 8.300 nan 0.000 0.475 204 L N -0.886 120.189 121.223 -0.246 0.000 2.017 204 L HA -0.228 4.112 4.340 0.000 0.000 0.208 204 L C 2.377 179.087 176.870 -0.266 0.000 1.073 204 L CA 1.143 55.822 54.840 -0.268 0.000 0.745 204 L CB -0.841 41.111 42.059 -0.178 0.000 0.894 204 L HN 0.010 nan 8.230 nan 0.000 0.432 205 V N 0.063 119.801 119.914 -0.293 0.000 2.261 205 V HA -0.280 3.840 4.120 0.000 0.000 0.246 205 V C 2.229 178.199 176.094 -0.206 0.000 1.047 205 V CA 1.925 64.029 62.300 -0.327 0.000 1.015 205 V CB -0.720 30.777 31.823 -0.544 0.000 0.642 205 V HN 0.480 nan 8.190 nan 0.000 0.446 206 N N 0.136 118.706 118.700 -0.217 0.000 2.104 206 N HA -0.146 4.594 4.740 0.000 0.000 0.190 206 N C 1.910 177.301 175.510 -0.198 0.000 1.024 206 N CA 1.999 54.945 53.050 -0.173 0.000 0.853 206 N CB -0.702 37.695 38.487 -0.150 0.000 1.008 206 N HN 0.477 nan 8.380 nan 0.000 0.424 207 T N 0.492 114.849 114.554 -0.328 0.000 2.708 207 T HA -0.144 4.206 4.350 0.000 0.000 0.266 207 T C 1.504 176.119 174.700 -0.142 0.000 1.037 207 T CA 0.708 62.609 62.100 -0.331 0.000 1.146 207 T CB -0.248 68.274 68.868 -0.576 0.000 0.865 207 T HN 0.427 nan 8.240 nan 0.000 0.435 208 W N 2.292 123.428 121.300 -0.273 0.000 2.355 208 W HA -0.095 4.565 4.660 0.000 0.000 0.309 208 W C 1.827 178.256 176.519 -0.151 0.000 1.206 208 W CA 1.202 58.429 57.345 -0.197 0.000 1.284 208 W CB -0.192 29.147 29.460 -0.202 0.000 1.145 208 W HN 0.257 nan 8.180 nan 0.000 0.502 209 K N 0.271 120.695 120.400 0.040 0.000 2.283 209 K HA -0.139 4.181 4.320 0.000 0.000 0.202 209 K C 2.140 178.686 176.600 -0.090 0.000 1.048 209 K CA 1.607 57.880 56.287 -0.023 0.000 0.948 209 K CB -0.318 32.176 32.500 -0.009 0.000 0.742 209 K HN 0.065 nan 8.250 nan 0.000 0.458 210 S N 0.524 116.156 115.700 -0.113 0.000 2.515 210 S HA -0.003 4.467 4.470 0.000 0.000 0.231 210 S C 0.532 175.053 174.600 -0.132 0.000 0.987 210 S CA 0.286 58.419 58.200 -0.111 0.000 0.936 210 S CB 0.070 63.204 63.200 -0.110 0.000 0.766 210 S HN -0.037 nan 8.310 nan 0.000 0.528 211 K N 1.642 121.926 120.400 -0.195 0.000 2.118 211 K HA 0.386 4.706 4.320 0.000 0.000 0.267 211 K C 0.661 177.144 176.600 -0.196 0.000 0.991 211 K CA -0.694 55.465 56.287 -0.213 0.000 0.916 211 K CB 0.881 33.194 32.500 -0.311 0.000 1.041 211 K HN 0.024 nan 8.250 nan 0.000 0.455 212 K N 1.036 121.348 120.400 -0.147 0.000 2.031 212 K HA -0.015 4.305 4.320 0.000 0.000 0.205 212 K C 0.111 176.631 176.600 -0.135 0.000 1.049 212 K CA 1.077 57.295 56.287 -0.115 0.000 0.939 212 K CB 0.151 32.604 32.500 -0.079 0.000 0.717 212 K HN 0.497 nan 8.250 nan 0.000 0.438 213 N N 1.810 120.417 118.700 -0.155 0.000 2.716 213 N HA 0.210 4.950 4.740 0.000 0.000 0.253 213 N C -2.795 172.569 175.510 -0.243 0.000 1.170 213 N CA -1.081 51.874 53.050 -0.157 0.000 0.807 213 N CB 2.031 40.468 38.487 -0.084 0.000 1.183 213 N HN 0.018 nan 8.380 nan 0.000 0.524 214 P HA 0.103 nan 4.420 nan 0.000 0.271 214 P C -0.283 176.648 177.300 -0.614 0.000 1.216 214 P CA -0.154 62.441 63.100 -0.842 0.000 0.776 214 P CB 1.160 31.685 31.700 -1.959 0.000 0.881 215 M N 2.335 121.686 119.600 -0.415 0.000 2.457 215 M HA 0.653 5.133 4.480 0.000 0.000 0.300 215 M C -1.074 175.180 176.300 -0.076 0.000 1.141 215 M CA -0.358 54.805 55.300 -0.228 0.000 0.901 215 M CB 2.563 35.090 32.600 -0.122 0.000 1.687 215 M HN 0.544 nan 8.290 nan 0.000 0.449 216 G N 3.456 112.310 108.800 0.091 0.000 2.619 216 G HA2 0.842 4.803 3.960 0.000 0.000 0.296 216 G HA3 0.842 4.803 3.960 0.000 0.000 0.296 216 G C -1.972 172.993 174.900 0.109 0.000 1.334 216 G CA -0.627 44.542 45.100 0.115 0.000 0.934 216 G HN 0.810 nan 8.290 nan 0.000 0.476 217 F N -0.369 119.540 119.950 -0.068 0.000 2.641 217 F HA 0.767 5.294 4.527 0.000 0.000 0.308 217 F C -0.251 175.531 175.800 -0.030 0.000 1.105 217 F CA -1.401 56.559 58.000 -0.067 0.000 0.964 217 F CB 1.363 40.308 39.000 -0.093 0.000 1.294 217 F HN 0.628 nan 8.300 nan 0.000 0.442 218 S N 1.476 117.251 115.700 0.125 0.000 2.578 218 S HA 0.622 5.092 4.470 0.000 0.000 0.283 218 S C -1.511 173.296 174.600 0.345 0.000 1.195 218 S CA -0.585 57.675 58.200 0.100 0.000 1.050 218 S CB 1.628 64.864 63.200 0.060 0.000 1.012 218 S HN 0.854 nan 8.310 nan 0.000 0.511 219 Y N 1.332 121.752 120.300 0.200 0.000 2.328 219 Y HA 0.437 4.987 4.550 -0.000 0.000 0.333 219 Y C -0.964 175.062 175.900 0.210 0.000 0.958 219 Y CA -0.869 57.412 58.100 0.302 0.000 1.167 219 Y CB 1.385 40.135 38.460 0.483 0.000 1.151 219 Y HN 0.856 nan 8.280 nan 0.000 0.470 220 D N 4.453 124.723 120.400 -0.216 0.000 2.396 220 D HA 0.214 4.854 4.640 0.000 0.000 0.225 220 D C -0.754 175.391 176.300 -0.259 0.000 1.121 220 D CA -0.079 53.837 54.000 -0.139 0.000 0.853 220 D CB 0.892 41.640 40.800 -0.086 0.000 1.043 220 D HN 0.471 nan 8.370 nan 0.000 0.500 221 T N 3.778 118.350 114.554 0.030 0.000 2.851 221 T HA 0.130 4.480 4.350 0.000 0.000 0.298 221 T C 0.491 175.273 174.700 0.137 0.000 0.977 221 T CA -0.463 61.736 62.100 0.165 0.000 1.126 221 T CB 0.670 69.857 68.868 0.532 0.000 0.916 221 T HN 0.313 nan 8.240 nan 0.000 0.529 222 R N 2.276 122.815 120.500 0.065 0.000 2.421 222 R HA 0.136 4.476 4.340 0.000 0.000 0.305 222 R C -0.162 176.234 176.300 0.160 0.000 1.039 222 R CA -0.284 55.853 56.100 0.060 0.000 1.003 222 R CB -0.559 29.720 30.300 -0.035 0.000 0.959 222 R HN 0.953 nan 8.270 nan 0.000 0.427 223 C N 5.494 124.922 119.300 0.214 0.000 3.268 223 C HA -0.162 4.298 4.460 0.000 0.000 0.277 223 C C 1.286 176.489 174.990 0.355 0.000 1.259 223 C CA 0.048 59.249 59.018 0.304 0.000 2.353 223 C CB -3.012 24.973 27.740 0.409 0.000 1.482 223 C HN 1.011 nan 8.230 nan 0.000 0.513 224 F N 1.938 122.008 119.950 0.200 0.000 2.091 224 F HA -0.165 4.362 4.527 0.000 0.000 0.299 224 F C 2.008 177.923 175.800 0.192 0.000 1.103 224 F CA 2.388 60.506 58.000 0.197 0.000 1.228 224 F CB -0.004 39.099 39.000 0.172 0.000 0.984 224 F HN 0.479 nan 8.300 nan 0.000 0.477 225 D N -0.325 120.323 120.400 0.414 0.000 2.158 225 D HA -0.177 4.463 4.640 0.000 0.000 0.197 225 D C 2.399 178.773 176.300 0.124 0.000 0.995 225 D CA 1.734 55.899 54.000 0.275 0.000 0.846 225 D CB -0.587 40.374 40.800 0.268 0.000 0.941 225 D HN 0.265 nan 8.370 nan 0.000 0.456 226 S N -0.336 115.455 115.700 0.153 0.000 2.447 226 S HA -0.104 4.366 4.470 0.000 0.000 0.233 226 S C 2.058 176.638 174.600 -0.033 0.000 1.006 226 S CA 1.357 59.559 58.200 0.002 0.000 0.957 226 S CB -0.259 62.924 63.200 -0.028 0.000 0.773 226 S HN 0.532 nan 8.310 nan 0.000 0.507 227 T N -0.381 114.228 114.554 0.090 0.000 3.055 227 T HA 0.119 4.469 4.350 0.000 0.000 0.265 227 T C 0.613 175.251 174.700 -0.104 0.000 1.111 227 T CA 0.049 62.182 62.100 0.054 0.000 1.118 227 T CB -0.423 68.411 68.868 -0.057 0.000 0.909 227 T HN 0.055 nan 8.240 nan 0.000 0.501 228 V N 3.905 123.728 119.914 -0.153 0.000 2.470 228 V HA 0.356 4.476 4.120 0.000 0.000 0.276 228 V C 1.051 177.106 176.094 -0.064 0.000 1.040 228 V CA -0.278 61.953 62.300 -0.115 0.000 1.008 228 V CB 0.250 32.045 31.823 -0.048 0.000 0.990 228 V HN 0.722 nan 8.190 nan 0.000 0.477 229 T N 0.708 115.236 114.554 -0.043 0.000 2.923 229 T HA 0.348 4.698 4.350 0.000 0.000 0.281 229 T C 1.025 175.722 174.700 -0.005 0.000 0.995 229 T CA -0.329 61.754 62.100 -0.028 0.000 0.985 229 T CB 1.630 70.478 68.868 -0.033 0.000 1.114 229 T HN 0.669 nan 8.240 nan 0.000 0.548 230 E N 0.564 120.771 120.200 0.011 0.000 2.085 230 E HA -0.293 4.057 4.350 0.000 0.000 0.194 230 E C 1.912 178.526 176.600 0.023 0.000 0.994 230 E CA 1.753 58.168 56.400 0.026 0.000 0.801 230 E CB -0.271 29.453 29.700 0.040 0.000 0.743 230 E HN 0.755 nan 8.360 nan 0.000 0.453 231 N N 0.746 119.453 118.700 0.011 0.000 2.037 231 N HA -0.230 4.510 4.740 0.000 0.000 0.196 231 N C 1.483 177.009 175.510 0.027 0.000 1.034 231 N CA 2.366 55.422 53.050 0.010 0.000 0.861 231 N CB -0.204 38.270 38.487 -0.021 0.000 1.039 231 N HN 0.168 nan 8.380 nan 0.000 0.427 232 D N -0.093 120.321 120.400 0.024 0.000 2.104 232 D HA -0.134 4.506 4.640 0.000 0.000 0.194 232 D C 2.029 178.344 176.300 0.024 0.000 0.994 232 D CA 1.109 55.134 54.000 0.042 0.000 0.830 232 D CB -0.339 40.479 40.800 0.030 0.000 0.959 232 D HN 0.468 nan 8.370 nan 0.000 0.452 233 I N 0.559 121.145 120.570 0.027 0.000 2.315 233 I HA -0.194 3.976 4.170 0.000 0.000 0.248 233 I C 2.502 178.632 176.117 0.021 0.000 1.117 233 I CA 0.907 62.229 61.300 0.036 0.000 1.404 233 I CB -0.076 37.967 38.000 0.073 0.000 1.071 233 I HN -0.109 nan 8.210 nan 0.000 0.419 234 R N 0.049 120.562 120.500 0.022 0.000 2.092 234 R HA -0.082 4.258 4.340 0.000 0.000 0.231 234 R C 2.334 178.618 176.300 -0.027 0.000 1.119 234 R CA 1.047 57.153 56.100 0.010 0.000 0.970 234 R CB -0.399 29.913 30.300 0.020 0.000 0.864 234 R HN 0.212 nan 8.270 nan 0.000 0.440 235 V N 1.404 121.304 119.914 -0.023 0.000 2.343 235 V HA -0.241 3.879 4.120 0.000 0.000 0.247 235 V C 1.960 177.964 176.094 -0.151 0.000 1.051 235 V CA 1.811 64.082 62.300 -0.049 0.000 1.036 235 V CB -0.400 31.429 31.823 0.011 0.000 0.654 235 V HN 0.339 nan 8.190 nan 0.000 0.451 236 E N -0.368 119.713 120.200 -0.199 0.000 2.070 236 E HA -0.270 4.080 4.350 0.000 0.000 0.197 236 E C 2.387 178.506 176.600 -0.801 0.000 1.004 236 E CA 1.479 57.603 56.400 -0.460 0.000 0.805 236 E CB -0.194 29.295 29.700 -0.352 0.000 0.744 236 E HN 0.544 nan 8.360 nan 0.000 0.451 237 E N 0.577 120.532 120.200 -0.408 0.000 2.058 237 E HA -0.210 4.140 4.350 0.000 0.000 0.194 237 E C 2.206 178.720 176.600 -0.142 0.000 0.997 237 E CA 1.573 57.858 56.400 -0.190 0.000 0.801 237 E CB -0.074 29.651 29.700 0.042 0.000 0.746 237 E HN 0.240 nan 8.360 nan 0.000 0.450 238 S N 0.450 116.077 115.700 -0.122 0.000 2.387 238 S HA -0.178 4.292 4.470 0.000 0.000 0.230 238 S C 2.186 176.733 174.600 -0.087 0.000 1.035 238 S CA 1.390 59.547 58.200 -0.072 0.000 1.014 238 S CB -0.669 62.498 63.200 -0.055 0.000 0.836 238 S HN 0.306 nan 8.310 nan 0.000 0.466 239 I N 0.120 120.584 120.570 -0.178 0.000 2.202 239 I HA -0.123 4.047 4.170 0.000 0.000 0.242 239 I C 2.373 178.472 176.117 -0.030 0.000 1.091 239 I CA 1.305 62.520 61.300 -0.142 0.000 1.368 239 I CB -0.553 37.327 38.000 -0.200 0.000 1.058 239 I HN 0.220 nan 8.210 nan 0.000 0.410 240 Y N 0.995 121.290 120.300 -0.007 0.000 2.207 240 Y HA -0.238 4.312 4.550 0.000 0.000 0.287 240 Y C 2.613 178.517 175.900 0.008 0.000 1.156 240 Y CA 0.771 58.871 58.100 0.000 0.000 1.182 240 Y CB -1.051 37.423 38.460 0.024 0.000 0.979 240 Y HN 0.258 nan 8.280 nan 0.000 0.521 241 Q N -1.344 118.545 119.800 0.147 0.000 2.435 241 Q HA -0.075 4.265 4.340 0.000 0.000 0.207 241 Q C 2.279 178.312 176.000 0.054 0.000 0.956 241 Q CA 0.728 56.586 55.803 0.092 0.000 0.917 241 Q CB -0.651 28.127 28.738 0.066 0.000 0.997 241 Q HN 0.520 nan 8.270 nan 0.000 0.497 242 C N 0.278 119.602 119.300 0.041 0.000 2.432 242 C HA -0.047 4.413 4.460 0.000 0.000 0.282 242 C C 1.585 176.592 174.990 0.028 0.000 1.388 242 C CA -0.608 58.424 59.018 0.023 0.000 1.777 242 C CB -0.744 26.999 27.740 0.005 0.000 1.882 242 C HN 0.398 nan 8.230 nan 0.000 0.520 243 C N 1.837 121.164 119.300 0.045 0.000 2.689 243 C HA 0.144 4.604 4.460 0.000 0.000 0.409 243 C C 0.533 175.543 174.990 0.032 0.000 1.293 243 C CA -0.248 58.791 59.018 0.035 0.000 2.136 243 C CB -0.272 27.494 27.740 0.044 0.000 2.719 243 C HN 0.492 nan 8.230 nan 0.000 0.644 244 D N 1.761 122.175 120.400 0.023 0.000 2.338 244 D HA 0.467 5.107 4.640 0.000 0.000 0.255 244 D C -0.613 175.705 176.300 0.030 0.000 1.237 244 D CA 0.442 54.456 54.000 0.023 0.000 0.883 244 D CB 0.018 40.828 40.800 0.016 0.000 1.087 244 D HN 0.385 nan 8.370 nan 0.000 0.485 245 L N 1.989 123.234 121.223 0.038 0.000 2.393 245 L HA 0.636 4.976 4.340 0.000 0.000 0.260 245 L C 0.269 177.169 176.870 0.051 0.000 1.002 245 L CA -1.521 53.348 54.840 0.048 0.000 0.818 245 L CB 1.789 43.885 42.059 0.060 0.000 1.369 245 L HN 0.320 nan 8.230 nan 0.000 0.412 246 A N 1.751 124.608 122.820 0.061 0.000 2.520 246 A HA 0.277 4.597 4.320 0.000 0.000 0.235 246 A C -1.764 175.864 177.584 0.074 0.000 1.065 246 A CA -0.628 51.450 52.037 0.068 0.000 0.764 246 A CB -0.273 18.777 19.000 0.084 0.000 1.002 246 A HN 0.645 nan 8.150 nan 0.000 0.502 247 P HA -0.189 nan 4.420 nan 0.000 0.216 247 P C 1.119 178.458 177.300 0.065 0.000 1.153 247 P CA 1.694 64.827 63.100 0.054 0.000 0.858 247 P CB 0.141 31.867 31.700 0.044 0.000 0.789 248 E N -0.807 119.458 120.200 0.110 0.000 2.150 248 E HA -0.131 4.219 4.350 0.000 0.000 0.193 248 E C 2.048 178.750 176.600 0.170 0.000 0.985 248 E CA 1.090 57.584 56.400 0.156 0.000 0.814 248 E CB -0.430 29.465 29.700 0.324 0.000 0.752 248 E HN 0.173 nan 8.360 nan 0.000 0.466 249 A N 1.657 124.597 122.820 0.201 0.000 1.898 249 A HA -0.177 4.143 4.320 0.000 0.000 0.216 249 A C 2.073 179.715 177.584 0.096 0.000 1.181 249 A CA 1.060 53.213 52.037 0.192 0.000 0.620 249 A CB -0.339 18.759 19.000 0.163 0.000 0.819 249 A HN 0.083 nan 8.150 nan 0.000 0.442 250 R N -1.026 119.515 120.500 0.069 0.000 2.091 250 R HA -0.193 4.147 4.340 0.000 0.000 0.238 250 R C 2.468 178.774 176.300 0.010 0.000 1.136 250 R CA 1.750 57.878 56.100 0.047 0.000 0.959 250 R CB -0.305 30.019 30.300 0.039 0.000 0.856 250 R HN 0.663 nan 8.270 nan 0.000 0.437 251 Q N 0.664 120.449 119.800 -0.025 0.000 2.079 251 Q HA -0.048 4.292 4.340 0.000 0.000 0.200 251 Q C 1.939 177.845 176.000 -0.156 0.000 0.974 251 Q CA 1.826 57.579 55.803 -0.084 0.000 0.840 251 Q CB -0.159 28.518 28.738 -0.102 0.000 0.898 251 Q HN 0.325 nan 8.270 nan 0.000 0.430 252 A N 0.138 122.820 122.820 -0.231 0.000 1.933 252 A HA -0.122 4.198 4.320 0.000 0.000 0.218 252 A C 2.097 179.596 177.584 -0.142 0.000 1.175 252 A CA 1.414 53.240 52.037 -0.352 0.000 0.628 252 A CB -0.688 17.960 19.000 -0.587 0.000 0.814 252 A HN 0.479 nan 8.150 nan 0.000 0.444 253 I N -0.463 120.095 120.570 -0.021 0.000 2.202 253 I HA -0.258 3.912 4.170 0.000 0.000 0.242 253 I C 2.547 178.706 176.117 0.070 0.000 1.091 253 I CA 1.830 63.176 61.300 0.078 0.000 1.368 253 I CB -0.232 37.850 38.000 0.137 0.000 1.058 253 I HN 0.390 nan 8.210 nan 0.000 0.410 254 K N 0.535 120.952 120.400 0.028 0.000 2.063 254 K HA -0.226 4.094 4.320 0.000 0.000 0.208 254 K C 2.347 178.928 176.600 -0.031 0.000 1.048 254 K CA 1.962 58.258 56.287 0.014 0.000 0.928 254 K CB -0.131 32.367 32.500 -0.003 0.000 0.713 254 K HN 0.133 nan 8.250 nan 0.000 0.442 255 S N 0.700 116.349 115.700 -0.085 0.000 2.348 255 S HA -0.080 4.390 4.470 0.000 0.000 0.221 255 S C 1.989 176.495 174.600 -0.156 0.000 1.033 255 S CA 1.127 59.253 58.200 -0.124 0.000 1.010 255 S CB -0.260 62.835 63.200 -0.176 0.000 0.891 255 S HN 0.360 nan 8.310 nan 0.000 0.442 256 L N 0.781 121.881 121.223 -0.206 0.000 2.079 256 L HA -0.116 4.224 4.340 0.000 0.000 0.210 256 L C 2.734 179.321 176.870 -0.473 0.000 1.081 256 L CA 1.533 56.130 54.840 -0.405 0.000 0.752 256 L CB -0.925 40.847 42.059 -0.479 0.000 0.896 256 L HN 0.344 nan 8.230 nan 0.000 0.433 257 T N -1.110 113.368 114.554 -0.126 0.000 2.701 257 T HA -0.141 4.209 4.350 0.000 0.000 0.263 257 T C 1.798 176.508 174.700 0.016 0.000 1.040 257 T CA 1.119 63.271 62.100 0.088 0.000 1.147 257 T CB -0.084 68.900 68.868 0.194 0.000 0.865 257 T HN 0.290 nan 8.240 nan 0.000 0.426 258 E N 1.068 121.257 120.200 -0.019 0.000 2.106 258 E HA -0.031 4.319 4.350 0.000 0.000 0.192 258 E C 2.329 178.911 176.600 -0.030 0.000 0.984 258 E CA 0.995 57.387 56.400 -0.013 0.000 0.806 258 E CB -0.095 29.593 29.700 -0.021 0.000 0.750 258 E HN 0.442 nan 8.360 nan 0.000 0.458 259 R N -0.678 119.774 120.500 -0.079 0.000 2.237 259 R HA 0.116 4.456 4.340 0.000 0.000 0.195 259 R C 1.837 178.079 176.300 -0.098 0.000 0.956 259 R CA 0.172 56.226 56.100 -0.077 0.000 1.029 259 R CB 0.306 30.551 30.300 -0.093 0.000 0.972 259 R HN 0.035 nan 8.270 nan 0.000 0.493 260 L N -1.990 119.135 121.223 -0.163 0.000 2.666 260 L HA 0.197 4.537 4.340 0.000 0.000 0.184 260 L C 1.266 178.117 176.870 -0.032 0.000 1.092 260 L CA 0.925 55.666 54.840 -0.166 0.000 0.857 260 L CB -0.293 41.580 42.059 -0.309 0.000 1.281 260 L HN -0.115 nan 8.230 nan 0.000 0.489 261 Y N 0.324 120.641 120.300 0.028 0.000 2.242 261 Y HA -0.012 4.538 4.550 -0.000 0.000 0.291 261 Y C 2.535 178.446 175.900 0.019 0.000 1.137 261 Y CA 1.289 59.414 58.100 0.043 0.000 1.181 261 Y CB -0.849 37.661 38.460 0.084 0.000 0.989 261 Y HN 0.125 nan 8.280 nan 0.000 0.527 262 I N -0.962 119.697 120.570 0.149 0.000 2.394 262 I HA -0.052 4.118 4.170 0.000 0.000 0.251 262 I C 1.228 177.364 176.117 0.032 0.000 1.136 262 I CA 1.342 62.691 61.300 0.082 0.000 1.425 262 I CB -0.348 37.692 38.000 0.066 0.000 1.079 262 I HN 0.293 nan 8.210 nan 0.000 0.425 263 G N -1.047 107.752 108.800 -0.003 0.000 2.320 263 G HA2 0.488 4.448 3.960 0.000 0.000 0.297 263 G HA3 0.488 4.448 3.960 0.000 0.000 0.297 263 G C -1.044 173.710 174.900 -0.244 0.000 1.344 263 G CA -0.145 44.891 45.100 -0.107 0.000 0.851 263 G HN 0.405 nan 8.290 nan 0.000 0.567 264 G N -0.915 107.446 108.800 -0.731 0.000 2.328 264 G HA2 0.686 4.646 3.960 0.000 0.000 0.299 264 G HA3 0.686 4.646 3.960 0.000 0.000 0.299 264 G C -3.463 170.745 174.900 -1.154 0.000 1.435 264 G CA 0.017 44.610 45.100 -0.846 0.000 0.865 264 G HN 0.749 nan 8.290 nan 0.000 0.601 265 P HA 0.416 nan 4.420 nan 0.000 0.271 265 P C -0.479 176.705 177.300 -0.193 0.000 1.218 265 P CA -0.081 62.859 63.100 -0.267 0.000 0.780 265 P CB 1.080 32.772 31.700 -0.013 0.000 0.901 266 L N 2.342 123.506 121.223 -0.098 0.000 2.313 266 L HA 0.448 4.788 4.340 0.000 0.000 0.283 266 L C 0.445 177.318 176.870 0.005 0.000 1.013 266 L CA -0.226 54.592 54.840 -0.036 0.000 0.816 266 L CB 1.682 43.766 42.059 0.042 0.000 1.236 266 L HN 0.271 nan 8.230 nan 0.000 0.419 267 T N 1.516 116.052 114.554 -0.030 0.000 2.824 267 T HA 0.316 4.666 4.350 0.000 0.000 0.282 267 T C -0.184 174.498 174.700 -0.030 0.000 0.993 267 T CA -0.833 61.254 62.100 -0.023 0.000 0.967 267 T CB 1.453 70.292 68.868 -0.049 0.000 0.960 267 T HN 0.646 nan 8.240 nan 0.000 0.441 268 N N 0.903 119.603 118.700 -0.000 0.000 2.327 268 N HA 0.093 4.833 4.740 0.000 0.000 0.257 268 N C 1.479 176.979 175.510 -0.015 0.000 1.281 268 N CA -0.171 52.879 53.050 -0.000 0.000 0.942 268 N CB 0.157 38.654 38.487 0.017 0.000 1.199 268 N HN 0.459 nan 8.380 nan 0.000 0.532 269 S N -0.933 114.767 115.700 -0.000 0.000 2.442 269 S HA -0.117 4.353 4.470 0.000 0.000 0.236 269 S C 0.968 175.564 174.600 -0.007 0.000 1.007 269 S CA 0.738 58.940 58.200 0.003 0.000 0.965 269 S CB -0.449 62.767 63.200 0.026 0.000 0.773 269 S HN 0.647 nan 8.310 nan 0.000 0.504 270 K N 0.737 121.134 120.400 -0.005 0.000 2.444 270 K HA 0.297 4.617 4.320 0.000 0.000 0.193 270 K C 1.225 177.817 176.600 -0.014 0.000 1.024 270 K CA 0.340 56.623 56.287 -0.008 0.000 1.077 270 K CB -0.144 32.356 32.500 -0.001 0.000 0.833 270 K HN 0.533 nan 8.250 nan 0.000 0.517 271 G N 1.631 110.418 108.800 -0.021 0.000 2.159 271 G HA2 -0.301 3.659 3.960 0.000 0.000 0.256 271 G HA3 -0.301 3.659 3.960 0.000 0.000 0.256 271 G C -0.228 174.667 174.900 -0.009 0.000 0.977 271 G CA -0.079 45.007 45.100 -0.025 0.000 0.652 271 G HN 0.367 nan 8.290 nan 0.000 0.531 272 Q N 0.194 119.996 119.800 0.002 0.000 2.259 272 Q HA 0.292 4.632 4.340 0.000 0.000 0.246 272 Q C 0.473 176.489 176.000 0.028 0.000 0.920 272 Q CA -0.522 55.291 55.803 0.016 0.000 0.895 272 Q CB 0.869 29.620 28.738 0.022 0.000 1.220 272 Q HN 0.403 nan 8.270 nan 0.000 0.439 273 N N 1.677 120.400 118.700 0.039 0.000 2.431 273 N HA -0.020 4.720 4.740 0.000 0.000 0.265 273 N C -0.224 175.340 175.510 0.090 0.000 1.184 273 N CA -0.309 52.776 53.050 0.057 0.000 0.943 273 N CB 0.550 39.073 38.487 0.059 0.000 1.080 273 N HN 0.605 nan 8.380 nan 0.000 0.477 274 C N 2.920 122.292 119.300 0.121 0.000 2.590 274 C HA 0.388 4.848 4.460 0.000 0.000 0.272 274 C C 1.272 176.447 174.990 0.309 0.000 1.338 274 C CA 0.625 59.770 59.018 0.212 0.000 1.746 274 C CB -0.931 26.957 27.740 0.247 0.000 2.020 274 C HN 0.967 nan 8.230 nan 0.000 0.531 275 G N -1.582 107.328 108.800 0.183 0.000 2.403 275 G HA2 0.271 4.231 3.960 0.000 0.000 0.223 275 G HA3 0.271 4.231 3.960 0.000 0.000 0.223 275 G C -2.064 172.868 174.900 0.053 0.000 1.287 275 G CA -0.360 44.801 45.100 0.102 0.000 0.982 275 G HN 0.055 nan 8.290 nan 0.000 0.471 276 Y N 0.629 120.801 120.300 -0.213 0.000 2.479 276 Y HA 0.732 5.282 4.550 0.000 0.000 0.338 276 Y C -0.100 175.641 175.900 -0.265 0.000 1.055 276 Y CA -0.828 57.164 58.100 -0.181 0.000 1.023 276 Y CB 1.984 40.355 38.460 -0.148 0.000 1.287 276 Y HN 0.697 nan 8.280 nan 0.000 0.447 277 R N 4.802 125.052 120.500 -0.416 0.000 2.393 277 R HA 0.552 4.892 4.340 0.000 0.000 0.310 277 R C -0.690 175.423 176.300 -0.311 0.000 0.968 277 R CA -0.555 55.267 56.100 -0.463 0.000 0.867 277 R CB 0.947 31.034 30.300 -0.356 0.000 1.124 277 R HN 0.925 nan 8.270 nan 0.000 0.450 278 R N 3.147 123.438 120.500 -0.348 0.000 2.659 278 R HA 0.206 4.546 4.340 0.000 0.000 0.418 278 R C -0.568 175.606 176.300 -0.210 0.000 1.076 278 R CA -0.285 55.712 56.100 -0.171 0.000 1.093 278 R CB 0.446 30.690 30.300 -0.094 0.000 1.400 278 R HN 0.788 nan 8.270 nan 0.000 0.583 279 C N -1.922 117.202 119.300 -0.293 0.000 3.308 279 C HA 0.618 5.078 4.460 0.000 0.000 0.360 279 C C -0.185 174.744 174.990 -0.102 0.000 1.695 279 C CA -1.528 57.365 59.018 -0.208 0.000 1.366 279 C CB 1.176 28.737 27.740 -0.299 0.000 2.121 279 C HN 0.331 nan 8.230 nan 0.000 0.442 280 R N 1.215 121.706 120.500 -0.015 0.000 2.538 280 R HA 0.458 4.798 4.340 0.000 0.000 0.282 280 R C 0.101 176.457 176.300 0.093 0.000 1.009 280 R CA 0.958 57.098 56.100 0.067 0.000 1.063 280 R CB -0.150 30.229 30.300 0.132 0.000 0.945 280 R HN 1.170 nan 8.270 nan 0.000 0.414 281 A N 3.673 126.562 122.820 0.115 0.000 2.362 281 A HA 0.220 4.540 4.320 0.000 0.000 0.276 281 A C 0.992 178.677 177.584 0.169 0.000 1.153 281 A CA 0.085 52.212 52.037 0.149 0.000 0.813 281 A CB 0.420 19.516 19.000 0.161 0.000 1.081 281 A HN 1.014 nan 8.150 nan 0.000 0.507 282 S N 2.106 117.920 115.700 0.190 0.000 2.489 282 S HA 0.061 4.531 4.470 0.000 0.000 0.228 282 S C 1.096 175.797 174.600 0.168 0.000 0.995 282 S CA 0.764 59.072 58.200 0.180 0.000 0.934 282 S CB 0.060 63.374 63.200 0.190 0.000 0.771 282 S HN 1.234 nan 8.310 nan 0.000 0.522 283 G N 1.928 110.850 108.800 0.204 0.000 4.433 283 G HA2 0.523 4.483 3.960 0.000 0.000 0.304 283 G HA3 0.523 4.483 3.960 0.000 0.000 0.304 283 G C -0.129 174.904 174.900 0.221 0.000 1.254 283 G CA -0.109 45.118 45.100 0.213 0.000 0.999 283 G HN 0.559 nan 8.290 nan 0.000 0.576 284 V N -2.526 117.500 119.914 0.187 0.000 3.113 284 V HA 0.595 4.715 4.120 0.000 0.000 0.316 284 V C 1.377 177.554 176.094 0.138 0.000 1.125 284 V CA -0.949 61.477 62.300 0.209 0.000 1.026 284 V CB 1.693 33.706 31.823 0.317 0.000 1.080 284 V HN 0.068 nan 8.190 nan 0.000 0.444 285 L N 2.247 123.565 121.223 0.159 0.000 2.079 285 L HA -0.049 4.291 4.340 0.000 0.000 0.210 285 L C 2.350 179.236 176.870 0.027 0.000 1.081 285 L CA 3.098 58.009 54.840 0.119 0.000 0.752 285 L CB -0.741 41.414 42.059 0.160 0.000 0.896 285 L HN 1.101 nan 8.230 nan 0.000 0.433 286 T N -5.650 108.840 114.554 -0.106 0.000 3.148 286 T HA -0.010 4.340 4.350 0.000 0.000 0.253 286 T C 1.551 176.196 174.700 -0.092 0.000 1.134 286 T CA 0.743 62.730 62.100 -0.189 0.000 1.051 286 T CB -0.781 67.808 68.868 -0.464 0.000 0.959 286 T HN 0.298 nan 8.240 nan 0.000 0.525 287 T N 1.953 116.488 114.554 -0.032 0.000 2.652 287 T HA -0.164 4.186 4.350 0.000 0.000 0.267 287 T C 2.206 176.931 174.700 0.041 0.000 1.039 287 T CA 1.813 63.931 62.100 0.031 0.000 1.153 287 T CB -0.675 68.235 68.868 0.069 0.000 0.863 287 T HN 0.556 nan 8.240 nan 0.000 0.428 288 S N -0.233 115.469 115.700 0.003 0.000 2.345 288 S HA -0.145 4.325 4.470 0.000 0.000 0.220 288 S C 2.458 177.080 174.600 0.036 0.000 1.031 288 S CA 1.392 59.584 58.200 -0.014 0.000 0.996 288 S CB -0.981 62.110 63.200 -0.181 0.000 0.882 288 S HN 0.662 nan 8.310 nan 0.000 0.445 289 C N 1.375 120.673 119.300 -0.004 0.000 2.413 289 C HA 0.058 4.518 4.460 0.000 0.000 0.276 289 C C 2.838 177.881 174.990 0.089 0.000 1.236 289 C CA 1.219 60.252 59.018 0.026 0.000 1.735 289 C CB -1.842 25.882 27.740 -0.026 0.000 2.031 289 C HN 0.721 nan 8.230 nan 0.000 0.474 290 G N 0.512 109.374 108.800 0.103 0.000 2.459 290 G HA2 -0.245 3.715 3.960 0.000 0.000 0.217 290 G HA3 -0.245 3.715 3.960 0.000 0.000 0.217 290 G C 1.505 176.500 174.900 0.158 0.000 1.183 290 G CA 1.214 46.386 45.100 0.120 0.000 0.776 290 G HN 0.599 nan 8.290 nan 0.000 0.552 291 N N 0.390 119.190 118.700 0.167 0.000 2.120 291 N HA -0.083 4.657 4.740 0.000 0.000 0.188 291 N C 2.440 178.007 175.510 0.095 0.000 1.024 291 N CA 1.687 54.852 53.050 0.191 0.000 0.852 291 N CB -0.845 37.670 38.487 0.046 0.000 1.003 291 N HN 0.271 nan 8.380 nan 0.000 0.424 292 T N 1.755 116.372 114.554 0.104 0.000 2.684 292 T HA -0.049 4.301 4.350 0.000 0.000 0.267 292 T C 2.144 176.932 174.700 0.146 0.000 1.036 292 T CA 0.823 63.002 62.100 0.131 0.000 1.148 292 T CB -0.402 68.612 68.868 0.242 0.000 0.863 292 T HN 0.127 nan 8.240 nan 0.000 0.436 293 L N 0.623 121.912 121.223 0.110 0.000 2.012 293 L HA -0.135 4.205 4.340 0.000 0.000 0.210 293 L C 2.975 179.944 176.870 0.164 0.000 1.073 293 L CA 1.331 56.225 54.840 0.090 0.000 0.748 293 L CB -1.070 41.000 42.059 0.019 0.000 0.891 293 L HN 0.282 nan 8.230 nan 0.000 0.431 294 T N -1.440 113.231 114.554 0.195 0.000 2.777 294 T HA -0.228 4.122 4.350 0.000 0.000 0.266 294 T C 2.017 176.917 174.700 0.334 0.000 1.040 294 T CA 1.424 63.672 62.100 0.247 0.000 1.141 294 T CB -0.447 68.595 68.868 0.290 0.000 0.868 294 T HN 0.469 nan 8.240 nan 0.000 0.444 295 C N 0.598 120.138 119.300 0.400 0.000 2.432 295 C HA -0.080 4.380 4.460 0.000 0.000 0.277 295 C C 2.375 177.517 174.990 0.254 0.000 1.249 295 C CA 0.483 59.715 59.018 0.358 0.000 1.725 295 C CB -1.395 26.424 27.740 0.131 0.000 2.028 295 C HN 0.653 nan 8.230 nan 0.000 0.477 296 Y N 0.991 121.352 120.300 0.102 0.000 2.128 296 Y HA -0.143 4.407 4.550 0.000 0.000 0.284 296 Y C 2.193 178.113 175.900 0.034 0.000 1.154 296 Y CA 2.142 60.281 58.100 0.065 0.000 1.149 296 Y CB -0.590 37.894 38.460 0.040 0.000 0.976 296 Y HN 0.341 nan 8.280 nan 0.000 0.505 297 L N 1.131 122.430 121.223 0.128 0.000 1.970 297 L HA -0.232 4.108 4.340 0.000 0.000 0.212 297 L C 2.151 178.941 176.870 -0.134 0.000 1.071 297 L CA 2.125 56.925 54.840 -0.066 0.000 0.751 297 L CB -0.951 41.049 42.059 -0.099 0.000 0.889 297 L HN 0.174 nan 8.230 nan 0.000 0.432 298 K N -0.577 119.813 120.400 -0.017 0.000 2.057 298 K HA -0.100 4.220 4.320 0.000 0.000 0.207 298 K C 2.054 178.675 176.600 0.034 0.000 1.049 298 K CA 1.396 57.681 56.287 -0.004 0.000 0.931 298 K CB -0.432 32.156 32.500 0.147 0.000 0.714 298 K HN 0.507 nan 8.250 nan 0.000 0.440 299 A N 1.070 123.904 122.820 0.023 0.000 1.898 299 A HA -0.112 4.208 4.320 0.000 0.000 0.216 299 A C 2.220 179.822 177.584 0.031 0.000 1.181 299 A CA 1.609 53.678 52.037 0.055 0.000 0.620 299 A CB -0.456 18.651 19.000 0.177 0.000 0.819 299 A HN 0.158 nan 8.150 nan 0.000 0.442 300 S N 0.130 115.728 115.700 -0.170 0.000 2.359 300 S HA -0.089 4.381 4.470 0.000 0.000 0.224 300 S C 2.300 176.843 174.600 -0.096 0.000 1.035 300 S CA 1.284 59.350 58.200 -0.222 0.000 1.018 300 S CB -0.484 62.428 63.200 -0.478 0.000 0.876 300 S HN 0.795 nan 8.310 nan 0.000 0.448 301 A N 1.365 124.147 122.820 -0.063 0.000 1.933 301 A HA 0.152 4.472 4.320 0.000 0.000 0.218 301 A C 2.311 179.948 177.584 0.088 0.000 1.175 301 A CA 1.631 53.696 52.037 0.046 0.000 0.628 301 A CB -0.920 18.126 19.000 0.076 0.000 0.814 301 A HN 0.516 nan 8.150 nan 0.000 0.444 302 A N -1.110 121.762 122.820 0.085 0.000 1.929 302 A HA -0.095 4.225 4.320 0.000 0.000 0.216 302 A C 2.244 179.857 177.584 0.048 0.000 1.176 302 A CA 1.442 53.408 52.037 -0.118 0.000 0.628 302 A CB -1.187 17.393 19.000 -0.700 0.000 0.816 302 A HN 0.580 nan 8.150 nan 0.000 0.444 303 C N -0.581 118.855 119.300 0.226 0.000 2.413 303 C HA -0.124 4.336 4.460 0.000 0.000 0.276 303 C C 2.891 177.897 174.990 0.027 0.000 1.248 303 C CA 1.218 60.375 59.018 0.231 0.000 1.742 303 C CB -1.312 26.513 27.740 0.143 0.000 2.017 303 C HN 0.603 nan 8.230 nan 0.000 0.481 304 R N 1.081 121.502 120.500 -0.131 0.000 2.066 304 R HA -0.062 4.278 4.340 0.000 0.000 0.232 304 R C 2.464 178.506 176.300 -0.430 0.000 1.131 304 R CA 1.526 57.416 56.100 -0.349 0.000 0.955 304 R CB -0.615 29.320 30.300 -0.608 0.000 0.851 304 R HN 0.532 nan 8.270 nan 0.000 0.432 305 A N 1.604 124.189 122.820 -0.392 0.000 1.908 305 A HA -0.142 4.178 4.320 0.000 0.000 0.218 305 A C 2.330 179.904 177.584 -0.017 0.000 1.181 305 A CA 1.864 53.840 52.037 -0.100 0.000 0.627 305 A CB -0.623 18.371 19.000 -0.011 0.000 0.818 305 A HN 0.408 nan 8.150 nan 0.000 0.445 306 A N -1.410 121.418 122.820 0.014 0.000 2.167 306 A HA 0.166 4.486 4.320 0.000 0.000 0.214 306 A C 1.067 178.674 177.584 0.038 0.000 1.151 306 A CA 0.989 53.062 52.037 0.060 0.000 0.735 306 A CB -0.458 18.642 19.000 0.166 0.000 0.802 306 A HN 0.528 nan 8.150 nan 0.000 0.467 307 K N -0.765 119.642 120.400 0.011 0.000 3.077 307 K HA -0.160 4.160 4.320 0.000 0.000 0.264 307 K C -0.763 175.848 176.600 0.018 0.000 1.008 307 K CA 0.381 56.672 56.287 0.008 0.000 0.740 307 K CB -1.937 30.572 32.500 0.016 0.000 1.273 307 K HN 0.566 nan 8.250 nan 0.000 0.477 308 L N 0.971 122.212 121.223 0.031 0.000 2.490 308 L HA 0.016 4.356 4.340 0.000 0.000 0.274 308 L C 0.882 177.758 176.870 0.009 0.000 1.201 308 L CA 0.024 54.882 54.840 0.029 0.000 0.869 308 L CB 0.252 42.342 42.059 0.051 0.000 1.123 308 L HN 0.166 nan 8.230 nan 0.000 0.484 309 Q N 2.497 122.297 119.800 -0.000 0.000 2.296 309 Q HA 0.101 4.441 4.340 0.000 0.000 0.257 309 Q C -0.368 175.618 176.000 -0.024 0.000 0.942 309 Q CA -0.149 55.648 55.803 -0.011 0.000 0.939 309 Q CB 0.743 29.472 28.738 -0.014 0.000 1.198 309 Q HN 0.460 nan 8.270 nan 0.000 0.429 310 D N 1.889 122.276 120.400 -0.022 0.000 2.735 310 D HA -0.192 4.448 4.640 0.000 0.000 0.235 310 D C -0.999 175.276 176.300 -0.040 0.000 1.175 310 D CA 0.860 54.842 54.000 -0.031 0.000 0.683 310 D CB -1.014 39.761 40.800 -0.043 0.000 1.008 310 D HN 0.609 nan 8.370 nan 0.000 0.416 311 C N -0.489 118.795 119.300 -0.027 0.000 2.398 311 C HA 0.892 5.352 4.460 0.000 0.000 0.364 311 C C 0.513 175.489 174.990 -0.023 0.000 1.219 311 C CA -0.499 58.497 59.018 -0.036 0.000 2.312 311 C CB 1.619 29.343 27.740 -0.026 0.000 2.428 311 C HN 0.445 nan 8.230 nan 0.000 0.564 312 T N 3.546 118.078 114.554 -0.036 0.000 2.921 312 T HA 0.566 4.916 4.350 0.000 0.000 0.297 312 T C -0.530 174.182 174.700 0.020 0.000 1.013 312 T CA -0.193 61.916 62.100 0.015 0.000 0.990 312 T CB 1.288 70.138 68.868 -0.030 0.000 1.023 312 T HN 0.773 nan 8.240 nan 0.000 0.447 313 M N 2.949 122.610 119.600 0.102 0.000 2.508 313 M HA 0.679 5.159 4.480 0.000 0.000 0.327 313 M C -1.280 175.136 176.300 0.192 0.000 1.160 313 M CA -1.069 54.283 55.300 0.086 0.000 0.980 313 M CB 1.925 34.574 32.600 0.082 0.000 1.693 313 M HN 0.314 nan 8.290 nan 0.000 0.452 314 L N 2.923 124.220 121.223 0.123 0.000 2.406 314 L HA 0.726 5.066 4.340 0.000 0.000 0.272 314 L C -1.536 175.339 176.870 0.009 0.000 0.980 314 L CA -0.514 54.390 54.840 0.107 0.000 0.831 314 L CB 1.870 44.020 42.059 0.152 0.000 1.253 314 L HN 0.517 nan 8.230 nan 0.000 0.406 315 V N 4.141 124.040 119.914 -0.026 0.000 2.588 315 V HA 0.596 4.716 4.120 0.000 0.000 0.304 315 V C -0.766 175.170 176.094 -0.263 0.000 1.042 315 V CA -0.649 61.618 62.300 -0.056 0.000 0.877 315 V CB 1.949 33.831 31.823 0.098 0.000 0.996 315 V HN 0.785 nan 8.190 nan 0.000 0.425 316 N N 3.469 121.963 118.700 -0.344 0.000 2.617 316 N HA 0.616 5.356 4.740 0.000 0.000 0.263 316 N C 0.582 175.977 175.510 -0.193 0.000 1.074 316 N CA 0.570 53.212 53.050 -0.679 0.000 0.841 316 N CB 1.722 39.640 38.487 -0.949 0.000 1.221 316 N HN 1.088 nan 8.380 nan 0.000 0.529 317 G N 2.436 111.278 108.800 0.070 0.000 2.622 317 G HA2 -0.410 3.550 3.960 0.000 0.000 0.307 317 G HA3 -0.410 3.550 3.960 0.000 0.000 0.307 317 G C 0.586 175.344 174.900 -0.236 0.000 1.226 317 G CA 0.820 45.937 45.100 0.029 0.000 0.997 317 G HN 0.631 nan 8.290 nan 0.000 0.551 318 D N 1.304 121.484 120.400 -0.367 0.000 2.349 318 D HA 0.079 4.719 4.640 0.000 0.000 0.224 318 D C 0.443 176.601 176.300 -0.237 0.000 1.029 318 D CA 0.967 54.563 54.000 -0.672 0.000 0.879 318 D CB -0.127 40.296 40.800 -0.629 0.000 0.906 318 D HN 0.430 nan 8.370 nan 0.000 0.528 319 D N 0.536 120.861 120.400 -0.125 0.000 2.232 319 D HA 0.314 4.954 4.640 0.000 0.000 0.242 319 D C -1.054 175.230 176.300 -0.027 0.000 1.093 319 D CA -0.627 53.347 54.000 -0.044 0.000 0.845 319 D CB 1.280 42.050 40.800 -0.050 0.000 1.124 319 D HN 0.037 nan 8.370 nan 0.000 0.467 320 L N 5.122 126.374 121.223 0.048 0.000 2.385 320 L HA 0.535 4.875 4.340 0.000 0.000 0.273 320 L C -1.732 175.140 176.870 0.003 0.000 0.990 320 L CA -0.688 54.189 54.840 0.061 0.000 0.821 320 L CB 1.846 44.017 42.059 0.186 0.000 1.279 320 L HN 0.165 nan 8.230 nan 0.000 0.412 321 V N 5.827 125.694 119.914 -0.079 0.000 2.789 321 V HA 0.819 4.939 4.120 0.000 0.000 0.311 321 V C -1.406 174.511 176.094 -0.294 0.000 1.073 321 V CA -0.366 61.818 62.300 -0.194 0.000 0.921 321 V CB 2.450 34.200 31.823 -0.122 0.000 1.009 321 V HN 0.596 nan 8.190 nan 0.000 0.426 322 V N 7.284 126.842 119.914 -0.592 0.000 2.656 322 V HA 0.595 4.715 4.120 0.000 0.000 0.307 322 V C -0.492 175.349 176.094 -0.423 0.000 1.051 322 V CA -0.474 61.479 62.300 -0.579 0.000 0.893 322 V CB 1.859 33.109 31.823 -0.955 0.000 0.999 322 V HN 0.750 nan 8.190 nan 0.000 0.426 323 I N 4.714 125.159 120.570 -0.208 0.000 2.436 323 I HA 0.720 4.890 4.170 0.000 0.000 0.289 323 I C -0.061 175.982 176.117 -0.123 0.000 1.010 323 I CA -0.313 60.920 61.300 -0.111 0.000 1.098 323 I CB 1.692 39.674 38.000 -0.029 0.000 1.266 323 I HN 0.909 nan 8.210 nan 0.000 0.434 324 C N 2.422 121.650 119.300 -0.120 0.000 3.335 324 C HA 0.577 5.037 4.460 0.000 0.000 0.356 324 C C -0.649 174.263 174.990 -0.130 0.000 1.570 324 C CA -0.908 58.051 59.018 -0.099 0.000 1.271 324 C CB 1.805 29.521 27.740 -0.041 0.000 1.873 324 C HN 0.616 nan 8.230 nan 0.000 0.439 325 E N 1.774 121.917 120.200 -0.094 0.000 2.259 325 E HA 0.306 4.656 4.350 0.000 0.000 0.281 325 E C 0.075 176.648 176.600 -0.046 0.000 1.037 325 E CA 0.461 56.806 56.400 -0.092 0.000 0.854 325 E CB 1.703 31.361 29.700 -0.069 0.000 1.051 325 E HN 0.705 nan 8.360 nan 0.000 0.409 326 S N 1.664 117.347 115.700 -0.030 0.000 2.572 326 S HA 0.256 4.726 4.470 0.000 0.000 0.279 326 S C 0.428 175.040 174.600 0.021 0.000 1.341 326 S CA 0.086 58.316 58.200 0.050 0.000 1.043 326 S CB 0.550 63.832 63.200 0.137 0.000 0.887 326 S HN 0.526 nan 8.310 nan 0.000 0.516 327 A N 3.326 126.167 122.820 0.035 0.000 2.594 327 A HA 0.648 4.968 4.320 0.000 0.000 0.287 327 A C 0.880 178.470 177.584 0.011 0.000 1.227 327 A CA 0.211 52.256 52.037 0.013 0.000 0.952 327 A CB -0.948 18.058 19.000 0.010 0.000 1.161 327 A HN 1.899 nan 8.150 nan 0.000 0.524 328 G N -0.958 107.851 108.800 0.015 0.000 2.699 328 G HA2 -0.043 3.917 3.960 0.000 0.000 0.686 328 G HA3 -0.043 3.917 3.960 0.000 0.000 0.686 328 G C 0.672 175.588 174.900 0.026 0.000 1.301 328 G CA 0.210 45.299 45.100 -0.018 0.000 0.816 328 G HN 1.225 nan 8.290 nan 0.000 0.595 329 T N -2.031 112.515 114.554 -0.013 0.000 2.833 329 T HA -0.159 4.191 4.350 0.000 0.000 0.269 329 T C 2.115 176.850 174.700 0.058 0.000 1.054 329 T CA 2.216 64.353 62.100 0.062 0.000 1.135 329 T CB -0.152 68.722 68.868 0.011 0.000 0.869 329 T HN 0.892 nan 8.240 nan 0.000 0.466 330 Q N 0.792 120.606 119.800 0.023 0.000 2.046 330 Q HA -0.137 4.204 4.340 0.000 0.000 0.200 330 Q C 2.443 178.453 176.000 0.017 0.000 0.975 330 Q CA 1.644 57.457 55.803 0.016 0.000 0.836 330 Q CB -0.180 28.561 28.738 0.005 0.000 0.896 330 Q HN 0.516 nan 8.270 nan 0.000 0.428 331 E N 0.686 120.897 120.200 0.018 0.000 2.106 331 E HA -0.164 4.186 4.350 0.000 0.000 0.192 331 E C 1.281 177.892 176.600 0.018 0.000 0.984 331 E CA 1.630 58.039 56.400 0.015 0.000 0.806 331 E CB -0.172 29.535 29.700 0.012 0.000 0.750 331 E HN 0.426 nan 8.360 nan 0.000 0.458 332 D N -0.062 120.363 120.400 0.042 0.000 2.117 332 D HA -0.103 4.537 4.640 0.000 0.000 0.197 332 D C 1.729 178.023 176.300 -0.010 0.000 0.987 332 D CA 1.587 55.609 54.000 0.037 0.000 0.829 332 D CB -0.455 40.420 40.800 0.126 0.000 0.961 332 D HN 0.310 nan 8.370 nan 0.000 0.460 333 A N 0.973 123.800 122.820 0.012 0.000 1.902 333 A HA -0.026 4.294 4.320 0.000 0.000 0.217 333 A C 2.303 179.872 177.584 -0.026 0.000 1.181 333 A CA 2.146 54.176 52.037 -0.012 0.000 0.623 333 A CB -0.713 18.294 19.000 0.012 0.000 0.818 333 A HN 0.230 nan 8.150 nan 0.000 0.443 334 A N 0.442 123.256 122.820 -0.011 0.000 1.877 334 A HA -0.109 4.211 4.320 0.000 0.000 0.216 334 A C 2.526 180.102 177.584 -0.014 0.000 1.186 334 A CA 2.445 54.476 52.037 -0.010 0.000 0.620 334 A CB -1.048 17.951 19.000 -0.002 0.000 0.822 334 A HN 0.960 nan 8.150 nan 0.000 0.443 335 S N -0.368 115.320 115.700 -0.019 0.000 2.382 335 S HA -0.107 4.363 4.470 0.000 0.000 0.228 335 S C 1.712 176.291 174.600 -0.036 0.000 1.027 335 S CA 1.492 59.683 58.200 -0.015 0.000 0.991 335 S CB -0.571 62.623 63.200 -0.010 0.000 0.823 335 S HN 0.234 nan 8.310 nan 0.000 0.469 336 L N 1.723 122.872 121.223 -0.123 0.000 2.093 336 L HA 0.091 4.431 4.340 0.000 0.000 0.208 336 L C 2.872 179.718 176.870 -0.041 0.000 1.085 336 L CA 1.460 56.172 54.840 -0.214 0.000 0.755 336 L CB -0.592 41.249 42.059 -0.364 0.000 0.904 336 L HN 0.264 nan 8.230 nan 0.000 0.435 337 R N -1.314 119.172 120.500 -0.023 0.000 2.081 337 R HA -0.115 4.225 4.340 0.000 0.000 0.235 337 R C 2.163 178.471 176.300 0.014 0.000 1.131 337 R CA 1.403 57.506 56.100 0.005 0.000 0.960 337 R CB -0.555 29.742 30.300 -0.005 0.000 0.856 337 R HN 0.216 nan 8.270 nan 0.000 0.436 338 V N 0.766 120.688 119.914 0.014 0.000 2.307 338 V HA -0.247 3.873 4.120 0.000 0.000 0.245 338 V C 1.952 178.049 176.094 0.004 0.000 1.045 338 V CA 1.732 64.034 62.300 0.004 0.000 1.024 338 V CB -0.597 31.233 31.823 0.012 0.000 0.651 338 V HN 0.208 nan 8.190 nan 0.000 0.449 339 F N 1.545 121.435 119.950 -0.100 0.000 2.065 339 F HA -0.267 4.260 4.527 -0.000 0.000 0.298 339 F C 2.475 178.195 175.800 -0.134 0.000 1.112 339 F CA 2.471 60.401 58.000 -0.116 0.000 1.212 339 F CB -0.578 38.340 39.000 -0.135 0.000 0.975 339 F HN 0.121 nan 8.300 nan 0.000 0.476 340 T N -0.018 114.588 114.554 0.085 0.000 2.746 340 T HA -0.207 4.143 4.350 0.000 0.000 0.267 340 T C 1.699 176.370 174.700 -0.049 0.000 1.039 340 T CA 1.795 63.950 62.100 0.091 0.000 1.142 340 T CB -0.373 68.622 68.868 0.212 0.000 0.866 340 T HN 0.395 nan 8.240 nan 0.000 0.444 341 E N 1.009 121.165 120.200 -0.073 0.000 2.077 341 E HA -0.076 4.274 4.350 0.000 0.000 0.193 341 E C 2.570 179.033 176.600 -0.228 0.000 0.989 341 E CA 1.027 57.358 56.400 -0.114 0.000 0.800 341 E CB -0.248 29.401 29.700 -0.085 0.000 0.746 341 E HN 0.481 nan 8.360 nan 0.000 0.452 342 A N 1.254 123.886 122.820 -0.314 0.000 1.877 342 A HA -0.213 4.107 4.320 0.000 0.000 0.216 342 A C 2.169 179.320 177.584 -0.721 0.000 1.186 342 A CA 1.433 53.143 52.037 -0.545 0.000 0.620 342 A CB -0.384 18.337 19.000 -0.464 0.000 0.822 342 A HN 0.127 nan 8.150 nan 0.000 0.443 343 M N -0.224 119.056 119.600 -0.533 0.000 2.108 343 M HA -0.131 4.349 4.480 0.000 0.000 0.261 343 M C 2.201 178.420 176.300 -0.135 0.000 1.066 343 M CA 2.144 57.258 55.300 -0.310 0.000 1.107 343 M CB -2.029 30.318 32.600 -0.422 0.000 1.356 343 M HN 0.477 nan 8.290 nan 0.000 0.406 344 T N 0.094 114.571 114.554 -0.128 0.000 2.708 344 T HA -0.134 4.216 4.350 0.000 0.000 0.266 344 T C 1.979 176.610 174.700 -0.114 0.000 1.037 344 T CA 1.204 63.262 62.100 -0.070 0.000 1.146 344 T CB -0.237 68.598 68.868 -0.055 0.000 0.865 344 T HN 0.383 nan 8.240 nan 0.000 0.435 345 R N -0.013 120.350 120.500 -0.228 0.000 2.127 345 R HA -0.075 4.265 4.340 0.000 0.000 0.238 345 R C 1.815 178.033 176.300 -0.135 0.000 1.134 345 R CA 1.187 57.149 56.100 -0.230 0.000 0.975 345 R CB -0.307 29.787 30.300 -0.343 0.000 0.865 345 R HN 0.441 nan 8.270 nan 0.000 0.447 346 Y N 0.258 120.492 120.300 -0.110 0.000 2.529 346 Y HA -0.034 4.516 4.550 0.000 0.000 0.290 346 Y C 1.354 177.194 175.900 -0.100 0.000 1.177 346 Y CA 0.299 58.322 58.100 -0.129 0.000 1.305 346 Y CB -0.219 38.191 38.460 -0.084 0.000 1.047 346 Y HN 0.212 nan 8.280 nan 0.000 0.522 347 S N -2.175 113.554 115.700 0.048 0.000 2.541 347 S HA -0.170 4.300 4.470 0.000 0.000 0.262 347 S C 0.335 174.955 174.600 0.033 0.000 1.321 347 S CA 0.388 58.603 58.200 0.025 0.000 1.243 347 S CB -1.925 61.280 63.200 0.008 0.000 1.531 347 S HN 0.688 nan 8.310 nan 0.000 0.656 348 A N 2.211 125.070 122.820 0.065 0.000 3.158 348 A HA 0.696 5.016 4.320 0.000 0.000 0.319 348 A C -1.860 175.851 177.584 0.212 0.000 1.204 348 A CA -1.227 50.882 52.037 0.121 0.000 0.992 348 A CB 0.378 19.486 19.000 0.180 0.000 1.110 348 A HN 0.527 nan 8.150 nan 0.000 0.519 349 P HA 0.330 nan 4.420 nan 0.000 0.274 349 P C -2.949 174.398 177.300 0.079 0.000 1.246 349 P CA -1.435 61.732 63.100 0.112 0.000 0.795 349 P CB 0.678 32.376 31.700 -0.005 0.000 1.006 350 P HA 0.132 nan 4.420 nan 0.000 0.279 350 P C 0.711 177.933 177.300 -0.131 0.000 1.252 350 P CA -0.013 62.949 63.100 -0.230 0.000 0.811 350 P CB 0.742 32.258 31.700 -0.307 0.000 1.035 351 G N 1.090 109.809 108.800 -0.134 0.000 2.654 351 G HA2 -0.012 3.948 3.960 0.000 0.000 0.215 351 G HA3 -0.012 3.948 3.960 0.000 0.000 0.215 351 G C -0.094 174.760 174.900 -0.077 0.000 1.310 351 G CA 0.175 45.229 45.100 -0.076 0.000 0.866 351 G HN 0.471 nan 8.290 nan 0.000 0.558 352 D N 2.153 122.506 120.400 -0.078 0.000 2.351 352 D HA 0.323 4.963 4.640 0.000 0.000 0.251 352 D C -2.275 173.976 176.300 -0.080 0.000 1.137 352 D CA -0.864 53.100 54.000 -0.060 0.000 0.879 352 D CB 1.430 42.207 40.800 -0.039 0.000 1.181 352 D HN 0.012 nan 8.370 nan 0.000 0.448 353 P HA 0.158 nan 4.420 nan 0.000 0.271 353 P C -2.355 174.942 177.300 -0.005 0.000 1.216 353 P CA -1.064 62.021 63.100 -0.024 0.000 0.776 353 P CB -0.136 31.561 31.700 -0.005 0.000 0.881 354 P HA 0.106 nan 4.420 nan 0.000 0.275 354 P C -1.014 176.275 177.300 -0.018 0.000 1.228 354 P CA -0.085 63.048 63.100 0.056 0.000 0.786 354 P CB 0.684 32.451 31.700 0.112 0.000 0.927 355 Q N 2.212 122.018 119.800 0.010 0.000 2.375 355 Q HA 0.613 4.953 4.340 0.000 0.000 0.271 355 Q C -2.798 173.196 176.000 -0.010 0.000 1.074 355 Q CA -2.573 53.223 55.803 -0.012 0.000 0.808 355 Q CB 1.999 30.745 28.738 0.013 0.000 1.327 355 Q HN 0.256 nan 8.270 nan 0.000 0.441 356 P HA 0.076 nan 4.420 nan 0.000 0.271 356 P C -0.845 176.305 177.300 -0.250 0.000 1.216 356 P CA 0.168 63.176 63.100 -0.155 0.000 0.776 356 P CB 0.881 32.489 31.700 -0.155 0.000 0.881 357 E N 1.986 121.981 120.200 -0.341 0.000 2.248 357 E HA 0.219 4.569 4.350 0.000 0.000 0.267 357 E C -0.581 175.827 176.600 -0.320 0.000 0.877 357 E CA -0.443 55.815 56.400 -0.235 0.000 0.759 357 E CB 1.537 31.211 29.700 -0.044 0.000 1.182 357 E HN 0.444 nan 8.360 nan 0.000 0.418 358 Y N -0.202 120.242 120.300 0.240 0.000 2.557 358 Y HA 0.167 4.717 4.550 0.000 0.000 0.247 358 Y C 0.256 176.396 175.900 0.401 0.000 1.164 358 Y CA -0.421 57.877 58.100 0.330 0.000 1.218 358 Y CB 0.999 39.558 38.460 0.166 0.000 1.210 358 Y HN 0.263 nan 8.280 nan 0.000 0.529 359 D N 0.388 120.952 120.400 0.273 0.000 2.549 359 D HA 0.125 4.765 4.640 0.000 0.000 0.251 359 D C 0.676 176.770 176.300 -0.343 0.000 1.153 359 D CA -0.355 53.670 54.000 0.041 0.000 0.861 359 D CB 1.754 42.581 40.800 0.046 0.000 1.207 359 D HN 0.098 nan 8.370 nan 0.000 0.543 360 L N 4.326 125.016 121.223 -0.888 0.000 2.079 360 L HA -0.091 4.249 4.340 0.000 0.000 0.210 360 L C 1.579 178.125 176.870 -0.540 0.000 1.081 360 L CA 1.956 56.098 54.840 -1.163 0.000 0.752 360 L CB -0.340 40.782 42.059 -1.561 0.000 0.896 360 L HN 0.530 nan 8.230 nan 0.000 0.433 361 E N -0.748 119.239 120.200 -0.355 0.000 2.401 361 E HA -0.160 4.190 4.350 0.000 0.000 0.199 361 E C 1.891 178.402 176.600 -0.149 0.000 1.023 361 E CA 0.814 57.089 56.400 -0.208 0.000 0.859 361 E CB -0.160 29.462 29.700 -0.130 0.000 0.780 361 E HN 0.550 nan 8.360 nan 0.000 0.523 362 L N 0.678 121.813 121.223 -0.146 0.000 2.607 362 L HA 0.200 4.540 4.340 0.000 0.000 0.228 362 L C 0.613 177.433 176.870 -0.083 0.000 1.123 362 L CA -0.189 54.601 54.840 -0.085 0.000 0.890 362 L CB 0.321 42.354 42.059 -0.042 0.000 1.103 362 L HN 0.025 nan 8.230 nan 0.000 0.468 363 I N 0.306 120.798 120.570 -0.130 0.000 2.337 363 I HA 0.083 4.253 4.170 0.000 0.000 0.291 363 I C 0.028 176.097 176.117 -0.079 0.000 1.046 363 I CA 0.203 61.443 61.300 -0.100 0.000 1.324 363 I CB 1.136 39.055 38.000 -0.134 0.000 1.409 363 I HN -0.078 nan 8.210 nan 0.000 0.494 364 T N 5.284 119.813 114.554 -0.041 0.000 2.743 364 T HA 0.397 4.747 4.350 0.000 0.000 0.292 364 T C -0.110 174.583 174.700 -0.012 0.000 0.972 364 T CA -0.576 61.510 62.100 -0.023 0.000 0.967 364 T CB 0.792 69.653 68.868 -0.012 0.000 0.926 364 T HN 0.727 nan 8.240 nan 0.000 0.459 365 S N 0.972 116.665 115.700 -0.012 0.000 2.536 365 S HA 0.424 4.894 4.470 0.000 0.000 0.287 365 S C 0.224 174.830 174.600 0.010 0.000 1.101 365 S CA -0.827 57.367 58.200 -0.010 0.000 0.950 365 S CB 0.653 63.831 63.200 -0.036 0.000 1.056 365 S HN 0.890 nan 8.310 nan 0.000 0.481 366 C N 2.026 121.333 119.300 0.012 0.000 4.114 366 C HA -0.164 4.296 4.460 0.000 0.000 0.300 366 C C 1.335 176.384 174.990 0.098 0.000 1.423 366 C CA 0.607 59.653 59.018 0.046 0.000 2.034 366 C CB -3.383 24.374 27.740 0.029 0.000 1.299 366 C HN 1.584 nan 8.230 nan 0.000 0.727 367 S N -1.759 113.985 115.700 0.074 0.000 3.445 367 S HA -0.201 4.269 4.470 0.000 0.000 0.319 367 S C 0.296 174.945 174.600 0.082 0.000 1.209 367 S CA 1.286 59.530 58.200 0.072 0.000 0.934 367 S CB -0.831 62.422 63.200 0.090 0.000 0.999 367 S HN 1.040 nan 8.310 nan 0.000 0.582 368 S N 1.680 117.435 115.700 0.092 0.000 2.632 368 S HA 0.762 5.232 4.470 0.000 0.000 0.289 368 S C -0.461 174.167 174.600 0.046 0.000 1.115 368 S CA -0.941 57.334 58.200 0.124 0.000 0.889 368 S CB 1.822 65.164 63.200 0.235 0.000 1.116 368 S HN 0.588 nan 8.310 nan 0.000 0.486 369 N N -0.558 118.159 118.700 0.028 0.000 2.416 369 N HA 0.423 5.163 4.740 0.000 0.000 0.276 369 N C -1.490 173.963 175.510 -0.094 0.000 1.261 369 N CA -0.589 52.431 53.050 -0.050 0.000 0.790 369 N CB 1.076 39.521 38.487 -0.070 0.000 1.554 369 N HN 0.323 nan 8.380 nan 0.000 0.481 370 V N 0.622 120.442 119.914 -0.156 0.000 2.614 370 V HA 0.339 4.459 4.120 0.000 0.000 0.291 370 V C 0.584 176.535 176.094 -0.237 0.000 1.049 370 V CA 0.126 62.303 62.300 -0.204 0.000 1.038 370 V CB 0.788 32.475 31.823 -0.227 0.000 0.980 370 V HN 0.845 nan 8.190 nan 0.000 0.481 371 S N 3.060 118.525 115.700 -0.391 0.000 2.732 371 S HA 0.806 5.276 4.470 0.000 0.000 0.293 371 S C -1.255 173.187 174.600 -0.264 0.000 1.159 371 S CA -0.497 57.501 58.200 -0.337 0.000 0.847 371 S CB 2.080 65.064 63.200 -0.359 0.000 1.169 371 S HN 0.638 nan 8.310 nan 0.000 0.501 372 V N 1.102 120.984 119.914 -0.054 0.000 2.709 372 V HA 0.948 5.068 4.120 0.000 0.000 0.308 372 V C -0.197 175.901 176.094 0.006 0.000 1.062 372 V CA 0.277 62.523 62.300 -0.092 0.000 0.901 372 V CB 1.107 32.743 31.823 -0.312 0.000 1.003 372 V HN 1.243 nan 8.190 nan 0.000 0.425 373 A N 5.081 127.793 122.820 -0.181 0.000 2.681 373 A HA 0.892 5.212 4.320 0.000 0.000 0.278 373 A C -1.079 176.077 177.584 -0.714 0.000 1.272 373 A CA -0.568 51.206 52.037 -0.438 0.000 0.750 373 A CB 1.664 20.211 19.000 -0.755 0.000 1.351 373 A HN 0.915 nan 8.150 nan 0.000 0.514 374 H N 0.216 118.940 119.070 -0.575 0.000 2.717 374 H HA 0.352 4.908 4.556 -0.000 0.000 0.366 374 H C -1.166 173.865 175.328 -0.495 0.000 1.132 374 H CA -0.488 55.238 56.048 -0.536 0.000 1.180 374 H CB 1.841 31.226 29.762 -0.628 0.000 1.678 374 H HN 0.902 nan 8.280 nan 0.000 0.537 375 D N 0.943 121.270 120.400 -0.121 0.000 2.440 375 D HA 0.167 4.807 4.640 0.000 0.000 0.269 375 D C 1.343 177.752 176.300 0.181 0.000 1.249 375 D CA -0.335 53.667 54.000 0.004 0.000 1.055 375 D CB 0.345 41.143 40.800 -0.005 0.000 1.104 375 D HN 0.452 nan 8.370 nan 0.000 0.561 376 A N -0.284 122.627 122.820 0.153 0.000 1.933 376 A HA -0.147 4.173 4.320 0.000 0.000 0.218 376 A C 2.151 179.804 177.584 0.115 0.000 1.175 376 A CA 1.919 54.037 52.037 0.134 0.000 0.628 376 A CB -1.069 17.974 19.000 0.072 0.000 0.814 376 A HN 0.491 nan 8.150 nan 0.000 0.444 377 S N -1.709 114.044 115.700 0.088 0.000 2.447 377 S HA 0.227 4.697 4.470 0.000 0.000 0.233 377 S C 1.607 176.255 174.600 0.080 0.000 1.006 377 S CA 1.262 59.501 58.200 0.065 0.000 0.957 377 S CB -0.179 63.047 63.200 0.045 0.000 0.773 377 S HN 1.698 nan 8.310 nan 0.000 0.507 378 G N 1.115 109.991 108.800 0.125 0.000 2.176 378 G HA2 -0.244 3.716 3.960 0.000 0.000 0.232 378 G HA3 -0.244 3.716 3.960 0.000 0.000 0.232 378 G C 0.080 175.060 174.900 0.133 0.000 0.986 378 G CA 0.013 45.187 45.100 0.123 0.000 0.643 378 G HN 0.457 nan 8.290 nan 0.000 0.522 379 K N 1.271 121.713 120.400 0.069 0.000 2.412 379 K HA 0.311 4.631 4.320 0.000 0.000 0.281 379 K C 0.767 177.318 176.600 -0.083 0.000 1.027 379 K CA -0.518 55.778 56.287 0.015 0.000 0.989 379 K CB 0.237 32.732 32.500 -0.007 0.000 0.935 379 K HN 0.350 nan 8.250 nan 0.000 0.475 380 R N 1.785 122.177 120.500 -0.181 0.000 2.522 380 R HA 0.093 4.433 4.340 0.000 0.000 0.284 380 R C -0.560 175.483 176.300 -0.429 0.000 1.032 380 R CA -0.164 55.644 56.100 -0.488 0.000 1.049 380 R CB 0.629 30.636 30.300 -0.487 0.000 0.956 380 R HN 0.245 nan 8.270 nan 0.000 0.422 381 V N 4.825 124.442 119.914 -0.495 0.000 2.525 381 V HA 0.239 4.359 4.120 0.000 0.000 0.299 381 V C -0.986 174.943 176.094 -0.274 0.000 1.034 381 V CA -0.876 61.248 62.300 -0.294 0.000 0.863 381 V CB 1.243 32.957 31.823 -0.181 0.000 0.999 381 V HN 0.575 nan 8.190 nan 0.000 0.423 382 Y N 5.283 125.572 120.300 -0.019 0.000 2.301 382 Y HA 0.657 5.207 4.550 0.000 0.000 0.325 382 Y C 0.057 176.013 175.900 0.093 0.000 1.203 382 Y CA -0.250 57.844 58.100 -0.010 0.000 1.255 382 Y CB 1.059 39.470 38.460 -0.082 0.000 1.232 382 Y HN 0.728 nan 8.280 nan 0.000 0.501 383 Y N -0.073 120.289 120.300 0.104 0.000 2.638 383 Y HA 0.659 5.209 4.550 0.000 0.000 0.335 383 Y C -2.200 173.755 175.900 0.092 0.000 1.155 383 Y CA -1.959 56.181 58.100 0.068 0.000 1.046 383 Y CB 0.675 39.150 38.460 0.023 0.000 1.303 383 Y HN 0.467 nan 8.280 nan 0.000 0.460 384 L N 2.194 123.493 121.223 0.127 0.000 2.292 384 L HA 0.711 5.051 4.340 0.000 0.000 0.284 384 L C 0.041 177.103 176.870 0.321 0.000 1.065 384 L CA 0.416 55.319 54.840 0.105 0.000 0.806 384 L CB 1.328 43.467 42.059 0.133 0.000 1.175 384 L HN 1.002 nan 8.230 nan 0.000 0.431 385 T N 4.489 119.177 114.554 0.222 0.000 2.831 385 T HA 0.857 5.207 4.350 0.000 0.000 0.287 385 T C -1.075 173.773 174.700 0.247 0.000 1.070 385 T CA -0.679 61.646 62.100 0.375 0.000 1.010 385 T CB 1.142 70.203 68.868 0.322 0.000 1.264 385 T HN 0.807 nan 8.240 nan 0.000 0.532 386 R N 0.706 121.285 120.500 0.131 0.000 2.734 386 R HA 0.477 4.817 4.340 0.000 0.000 0.271 386 R C -1.374 174.756 176.300 -0.283 0.000 1.021 386 R CA -0.998 55.046 56.100 -0.092 0.000 0.893 386 R CB 0.572 30.750 30.300 -0.202 0.000 1.244 386 R HN 0.510 nan 8.270 nan 0.000 0.464 387 D N 2.138 122.379 120.400 -0.266 0.000 2.531 387 D HA 0.015 4.655 4.640 0.000 0.000 0.239 387 D C -1.303 174.625 176.300 -0.619 0.000 1.144 387 D CA -1.083 52.708 54.000 -0.349 0.000 0.869 387 D CB 1.199 41.879 40.800 -0.200 0.000 1.160 387 D HN 0.354 nan 8.370 nan 0.000 0.484 388 P HA -0.012 nan 4.420 nan 0.000 0.245 388 P C 1.135 178.114 177.300 -0.536 0.000 1.212 388 P CA 0.233 62.659 63.100 -1.122 0.000 0.774 388 P CB 0.263 31.262 31.700 -1.168 0.000 0.999 389 T N -0.196 114.161 114.554 -0.327 0.000 2.622 389 T HA -0.125 4.225 4.350 0.000 0.000 0.266 389 T C 1.749 176.387 174.700 -0.103 0.000 1.047 389 T CA 2.350 64.356 62.100 -0.156 0.000 1.159 389 T CB -1.100 67.720 68.868 -0.081 0.000 0.863 389 T HN 0.202 nan 8.240 nan 0.000 0.422 390 T N 2.264 116.761 114.554 -0.096 0.000 2.708 390 T HA -0.052 4.298 4.350 0.000 0.000 0.266 390 T C -0.549 174.110 174.700 -0.068 0.000 1.037 390 T CA 1.161 63.230 62.100 -0.052 0.000 1.146 390 T CB -1.310 67.561 68.868 0.005 0.000 0.865 390 T HN 0.333 nan 8.240 nan 0.000 0.435 391 P HA -0.042 nan 4.420 nan 0.000 0.216 391 P C 1.503 178.836 177.300 0.055 0.000 1.153 391 P CA 1.001 64.100 63.100 -0.002 0.000 0.858 391 P CB -0.223 31.450 31.700 -0.045 0.000 0.789 392 L N -1.366 119.847 121.223 -0.017 0.000 2.056 392 L HA -0.123 4.217 4.340 0.000 0.000 0.207 392 L C 2.543 179.458 176.870 0.075 0.000 1.078 392 L CA 1.453 56.315 54.840 0.037 0.000 0.749 392 L CB -1.312 40.731 42.059 -0.026 0.000 0.901 392 L HN -0.065 nan 8.230 nan 0.000 0.433 393 A N 0.503 123.352 122.820 0.047 0.000 1.892 393 A HA -0.244 4.076 4.320 0.000 0.000 0.218 393 A C 2.401 180.053 177.584 0.113 0.000 1.188 393 A CA 1.844 53.927 52.037 0.077 0.000 0.631 393 A CB -0.532 18.488 19.000 0.032 0.000 0.822 393 A HN 0.346 nan 8.150 nan 0.000 0.447 394 R N -0.735 119.804 120.500 0.064 0.000 2.092 394 R HA 0.014 4.354 4.340 0.000 0.000 0.231 394 R C 2.468 178.916 176.300 0.248 0.000 1.119 394 R CA 1.016 57.170 56.100 0.091 0.000 0.970 394 R CB -0.435 29.860 30.300 -0.008 0.000 0.864 394 R HN 0.517 nan 8.270 nan 0.000 0.440 395 A N 1.465 124.457 122.820 0.287 0.000 1.902 395 A HA -0.123 4.197 4.320 0.000 0.000 0.217 395 A C 2.390 180.227 177.584 0.420 0.000 1.181 395 A CA 1.659 53.985 52.037 0.482 0.000 0.623 395 A CB -0.630 18.689 19.000 0.532 0.000 0.818 395 A HN 0.382 nan 8.150 nan 0.000 0.443 396 A N -1.258 121.716 122.820 0.256 0.000 1.883 396 A HA -0.216 4.104 4.320 0.000 0.000 0.217 396 A C 2.118 179.824 177.584 0.203 0.000 1.186 396 A CA 1.483 53.629 52.037 0.181 0.000 0.624 396 A CB -0.901 18.189 19.000 0.149 0.000 0.822 396 A HN 0.832 nan 8.150 nan 0.000 0.444 397 W N 0.847 122.194 121.300 0.078 0.000 2.355 397 W HA -0.147 4.513 4.660 -0.000 0.000 0.309 397 W C 1.821 178.387 176.519 0.079 0.000 1.206 397 W CA 1.953 59.328 57.345 0.051 0.000 1.284 397 W CB -0.379 29.093 29.460 0.020 0.000 1.145 397 W HN 0.559 nan 8.180 nan 0.000 0.502 398 E N -0.769 119.695 120.200 0.441 0.000 2.268 398 E HA -0.158 4.192 4.350 0.000 0.000 0.195 398 E C 1.968 178.739 176.600 0.286 0.000 0.995 398 E CA 1.714 58.344 56.400 0.384 0.000 0.836 398 E CB -0.227 29.753 29.700 0.467 0.000 0.763 398 E HN 0.083 nan 8.360 nan 0.000 0.491 399 T N 0.197 114.908 114.554 0.262 0.000 2.833 399 T HA -0.123 4.227 4.350 0.000 0.000 0.269 399 T C 1.729 176.409 174.700 -0.033 0.000 1.054 399 T CA 1.322 63.488 62.100 0.109 0.000 1.135 399 T CB 0.013 68.966 68.868 0.141 0.000 0.869 399 T HN 0.241 nan 8.240 nan 0.000 0.466 400 A N -0.055 122.715 122.820 -0.084 0.000 2.229 400 A HA 0.344 4.664 4.320 0.000 0.000 0.211 400 A C 0.924 178.390 177.584 -0.197 0.000 1.193 400 A CA -0.089 51.847 52.037 -0.169 0.000 0.879 400 A CB 0.535 19.397 19.000 -0.231 0.000 0.911 400 A HN 0.092 nan 8.150 nan 0.000 0.492 401 R N 0.325 120.727 120.500 -0.163 0.000 2.574 401 R HA 0.362 4.702 4.340 0.000 0.000 0.288 401 R C -1.659 174.622 176.300 -0.032 0.000 1.004 401 R CA -0.528 55.519 56.100 -0.088 0.000 0.895 401 R CB 0.910 31.195 30.300 -0.025 0.000 1.191 401 R HN 0.480 nan 8.270 nan 0.000 0.444 402 H N 0.703 119.842 119.070 0.115 0.000 2.803 402 H HA 0.177 4.733 4.556 0.000 0.000 0.330 402 H C 0.583 175.983 175.328 0.121 0.000 1.057 402 H CA 0.804 56.925 56.048 0.121 0.000 1.458 402 H CB 0.852 30.662 29.762 0.079 0.000 1.470 402 H HN 0.544 nan 8.280 nan 0.000 0.560 403 T N 0.130 114.820 114.554 0.226 0.000 2.916 403 T HA 0.272 4.622 4.350 0.000 0.000 0.292 403 T C -1.791 172.946 174.700 0.060 0.000 1.055 403 T CA -2.036 60.144 62.100 0.133 0.000 1.009 403 T CB 1.685 70.631 68.868 0.129 0.000 1.118 403 T HN 0.255 nan 8.240 nan 0.000 0.497 404 P HA 0.126 nan 4.420 nan 0.000 0.217 404 P C -0.115 177.186 177.300 0.002 0.000 1.150 404 P CA 0.354 63.423 63.100 -0.052 0.000 0.832 404 P CB 0.116 31.768 31.700 -0.080 0.000 0.787 405 V N 1.362 121.269 119.914 -0.012 0.000 2.448 405 V HA 0.221 4.341 4.120 0.000 0.000 0.295 405 V C -0.147 175.915 176.094 -0.054 0.000 1.025 405 V CA -0.792 61.486 62.300 -0.036 0.000 0.859 405 V CB 1.565 33.361 31.823 -0.047 0.000 0.988 405 V HN 0.002 nan 8.190 nan 0.000 0.431 406 N N 3.157 121.778 118.700 -0.131 0.000 2.719 406 N HA 0.065 4.805 4.740 0.000 0.000 0.243 406 N C 1.377 176.667 175.510 -0.366 0.000 1.104 406 N CA 0.167 53.060 53.050 -0.261 0.000 0.981 406 N CB 1.587 39.786 38.487 -0.479 0.000 1.290 406 N HN 0.828 nan 8.380 nan 0.000 0.513 407 S N 1.965 117.573 115.700 -0.154 0.000 2.399 407 S HA -0.126 4.345 4.470 0.000 0.000 0.231 407 S C 1.880 176.437 174.600 -0.071 0.000 1.022 407 S CA 0.282 58.431 58.200 -0.085 0.000 0.983 407 S CB -0.429 62.772 63.200 0.002 0.000 0.803 407 S HN 0.780 nan 8.310 nan 0.000 0.480 408 W N 1.373 122.583 121.300 -0.149 0.000 2.342 408 W HA -0.073 4.587 4.660 -0.000 0.000 0.297 408 W C 1.719 178.153 176.519 -0.143 0.000 1.213 408 W CA 0.625 57.836 57.345 -0.224 0.000 1.251 408 W CB -1.070 27.889 29.460 -0.836 0.000 1.136 408 W HN 0.380 nan 8.180 nan 0.000 0.526 409 L N 2.842 123.459 121.223 -1.011 0.000 2.072 409 L HA 0.189 4.529 4.340 0.000 0.000 0.205 409 L C 2.650 179.318 176.870 -0.337 0.000 1.079 409 L CA 2.743 57.034 54.840 -0.915 0.000 0.752 409 L CB -1.405 39.883 42.059 -1.285 0.000 0.906 409 L HN 0.040 nan 8.230 nan 0.000 0.436 410 G N -0.560 108.071 108.800 -0.281 0.000 2.418 410 G HA2 -0.299 3.661 3.960 0.000 0.000 0.217 410 G HA3 -0.299 3.661 3.960 0.000 0.000 0.217 410 G C 1.470 176.377 174.900 0.011 0.000 1.158 410 G CA 0.757 45.776 45.100 -0.136 0.000 0.771 410 G HN 0.439 nan 8.290 nan 0.000 0.545 411 N N 0.628 119.395 118.700 0.112 0.000 2.166 411 N HA -0.033 4.707 4.740 0.000 0.000 0.186 411 N C 2.260 177.917 175.510 0.246 0.000 1.019 411 N CA 0.715 53.958 53.050 0.322 0.000 0.856 411 N CB -0.199 38.538 38.487 0.416 0.000 0.993 411 N HN 0.345 nan 8.380 nan 0.000 0.426 412 I N 0.926 121.594 120.570 0.163 0.000 2.226 412 I HA -0.236 3.934 4.170 0.000 0.000 0.245 412 I C 2.059 178.225 176.117 0.082 0.000 1.100 412 I CA 0.892 62.268 61.300 0.126 0.000 1.374 412 I CB -0.188 37.951 38.000 0.233 0.000 1.057 412 I HN 0.053 nan 8.210 nan 0.000 0.413 413 I N 0.032 120.654 120.570 0.086 0.000 2.142 413 I HA -0.311 3.859 4.170 0.000 0.000 0.240 413 I C 2.549 178.766 176.117 0.168 0.000 1.078 413 I CA 1.329 62.707 61.300 0.130 0.000 1.343 413 I CB -0.240 37.810 38.000 0.082 0.000 1.046 413 I HN 0.216 nan 8.210 nan 0.000 0.405 414 M N -0.725 118.892 119.600 0.027 0.000 2.254 414 M HA -0.131 4.349 4.480 0.000 0.000 0.265 414 M C 1.147 177.243 176.300 -0.340 0.000 1.066 414 M CA 1.780 56.979 55.300 -0.168 0.000 1.123 414 M CB -0.781 31.583 32.600 -0.394 0.000 1.388 414 M HN 0.218 nan 8.290 nan 0.000 0.425 415 Y N -0.834 119.458 120.300 -0.013 0.000 2.706 415 Y HA 0.487 5.037 4.550 -0.000 0.000 0.255 415 Y C 1.818 177.454 175.900 -0.441 0.000 1.163 415 Y CA -0.286 57.690 58.100 -0.207 0.000 1.174 415 Y CB -0.874 37.420 38.460 -0.276 0.000 1.200 415 Y HN 0.147 nan 8.280 nan 0.000 0.544 416 A N 1.054 123.659 122.820 -0.357 0.000 1.927 416 A HA -0.186 4.134 4.320 0.000 0.000 0.220 416 A C -0.360 176.940 177.584 -0.473 0.000 1.185 416 A CA 1.822 53.618 52.037 -0.402 0.000 0.639 416 A CB -1.439 17.337 19.000 -0.373 0.000 0.820 416 A HN 0.275 nan 8.150 nan 0.000 0.451 417 P HA -0.002 nan 4.420 nan 0.000 0.230 417 P C 0.647 177.666 177.300 -0.468 0.000 1.158 417 P CA 1.319 64.137 63.100 -0.469 0.000 0.769 417 P CB -0.461 30.993 31.700 -0.410 0.000 0.807 418 T N -2.724 111.552 114.554 -0.464 0.000 2.913 418 T HA 0.137 4.487 4.350 0.000 0.000 0.297 418 T C 1.121 175.403 174.700 -0.696 0.000 1.029 418 T CA -0.677 61.099 62.100 -0.541 0.000 1.104 418 T CB 0.703 69.085 68.868 -0.811 0.000 0.964 418 T HN -0.171 nan 8.240 nan 0.000 0.532 419 L N 2.336 123.048 121.223 -0.852 0.000 2.042 419 L HA -0.019 4.321 4.340 0.000 0.000 0.210 419 L C 2.368 178.926 176.870 -0.520 0.000 1.076 419 L CA 1.816 56.142 54.840 -0.857 0.000 0.749 419 L CB -0.815 40.634 42.059 -1.016 0.000 0.893 419 L HN 0.926 nan 8.230 nan 0.000 0.432 420 W N -0.982 120.106 121.300 -0.353 0.000 2.453 420 W HA 0.113 4.773 4.660 0.000 0.000 0.289 420 W C 2.051 178.431 176.519 -0.232 0.000 1.215 420 W CA 0.691 57.866 57.345 -0.283 0.000 1.297 420 W CB -1.378 27.951 29.460 -0.219 0.000 1.113 420 W HN 0.300 nan 8.180 nan 0.000 0.551 421 A N 1.891 124.240 122.820 -0.784 0.000 1.930 421 A HA -0.136 4.184 4.320 0.000 0.000 0.217 421 A C 2.245 179.664 177.584 -0.275 0.000 1.175 421 A CA 1.768 53.502 52.037 -0.505 0.000 0.627 421 A CB -0.770 17.801 19.000 -0.716 0.000 0.815 421 A HN 0.304 nan 8.150 nan 0.000 0.443 422 R N -1.189 119.067 120.500 -0.406 0.000 2.062 422 R HA 0.062 4.402 4.340 0.000 0.000 0.229 422 R C 2.223 178.319 176.300 -0.340 0.000 1.128 422 R CA 1.689 57.564 56.100 -0.376 0.000 0.960 422 R CB -0.293 29.648 30.300 -0.598 0.000 0.855 422 R HN 0.507 nan 8.270 nan 0.000 0.432 423 M N -0.511 118.770 119.600 -0.531 0.000 2.334 423 M HA 0.018 4.498 4.480 0.000 0.000 0.266 423 M C 1.763 177.976 176.300 -0.145 0.000 1.082 423 M CA 1.354 56.396 55.300 -0.430 0.000 1.141 423 M CB 0.254 32.546 32.600 -0.513 0.000 1.380 423 M HN 0.116 nan 8.290 nan 0.000 0.440 424 I N -0.863 119.495 120.570 -0.353 0.000 3.132 424 I HA -0.081 4.089 4.170 0.000 0.000 0.255 424 I C 2.014 177.973 176.117 -0.263 0.000 1.118 424 I CA 0.282 61.130 61.300 -0.752 0.000 1.463 424 I CB -0.151 37.339 38.000 -0.850 0.000 1.356 424 I HN 0.101 nan 8.210 nan 0.000 0.463 425 L N 0.229 121.472 121.223 0.034 0.000 2.017 425 L HA -0.205 4.135 4.340 0.000 0.000 0.208 425 L C 2.662 179.822 176.870 0.484 0.000 1.073 425 L CA 1.682 56.729 54.840 0.345 0.000 0.745 425 L CB -0.452 41.837 42.059 0.384 0.000 0.894 425 L HN 0.282 nan 8.230 nan 0.000 0.432 426 M N -0.829 119.019 119.600 0.414 0.000 2.067 426 M HA -0.186 4.294 4.480 0.000 0.000 0.260 426 M C 2.351 179.149 176.300 0.831 0.000 1.069 426 M CA 2.129 57.787 55.300 0.597 0.000 1.117 426 M CB -0.578 32.176 32.600 0.257 0.000 1.334 426 M HN 0.257 nan 8.290 nan 0.000 0.407 427 T N -1.336 113.676 114.554 0.764 0.000 2.652 427 T HA -0.242 4.108 4.350 0.000 0.000 0.267 427 T C 1.663 176.664 174.700 0.501 0.000 1.039 427 T CA 1.982 64.503 62.100 0.702 0.000 1.153 427 T CB -0.600 68.725 68.868 0.763 0.000 0.863 427 T HN 0.448 nan 8.240 nan 0.000 0.428 428 H N 0.381 119.625 119.070 0.289 0.000 2.293 428 H HA 0.001 4.557 4.556 0.000 0.000 0.300 428 H C 1.734 176.932 175.328 -0.217 0.000 1.082 428 H CA 1.554 57.632 56.048 0.050 0.000 1.308 428 H CB -0.504 29.140 29.762 -0.197 0.000 1.375 428 H HN 0.372 nan 8.280 nan 0.000 0.495 429 F N -1.367 118.531 119.950 -0.087 0.000 2.367 429 F HA 0.030 4.557 4.527 -0.000 0.000 0.298 429 F C 1.844 177.451 175.800 -0.322 0.000 1.094 429 F CA 0.314 58.008 58.000 -0.511 0.000 1.409 429 F CB -0.351 37.901 39.000 -1.246 0.000 1.064 429 F HN 0.131 nan 8.300 nan 0.000 0.528 430 F N -0.617 119.418 119.950 0.141 0.000 2.234 430 F HA -0.170 4.357 4.527 -0.000 0.000 0.299 430 F C 2.714 178.535 175.800 0.034 0.000 1.087 430 F CA 1.411 59.510 58.000 0.164 0.000 1.340 430 F CB -0.883 38.320 39.000 0.338 0.000 1.031 430 F HN -0.118 nan 8.300 nan 0.000 0.500 431 S N 0.434 116.206 115.700 0.119 0.000 2.359 431 S HA -0.192 4.278 4.470 0.000 0.000 0.224 431 S C 2.161 176.715 174.600 -0.078 0.000 1.035 431 S CA 1.509 59.708 58.200 -0.003 0.000 1.018 431 S CB -0.474 62.711 63.200 -0.025 0.000 0.876 431 S HN 0.309 nan 8.310 nan 0.000 0.448 432 I N 1.256 121.711 120.570 -0.191 0.000 2.179 432 I HA -0.196 3.974 4.170 0.000 0.000 0.242 432 I C 2.206 178.271 176.117 -0.087 0.000 1.088 432 I CA 1.179 62.360 61.300 -0.197 0.000 1.357 432 I CB -0.345 37.451 38.000 -0.340 0.000 1.051 432 I HN 0.316 nan 8.210 nan 0.000 0.409 433 L N -0.043 121.135 121.223 -0.076 0.000 2.046 433 L HA -0.221 4.119 4.340 0.000 0.000 0.208 433 L C 2.549 179.428 176.870 0.016 0.000 1.077 433 L CA 1.228 56.052 54.840 -0.026 0.000 0.747 433 L CB -0.552 41.455 42.059 -0.087 0.000 0.896 433 L HN 0.276 nan 8.230 nan 0.000 0.432 434 L N -0.141 121.102 121.223 0.035 0.000 2.012 434 L HA -0.231 4.109 4.340 0.000 0.000 0.210 434 L C 2.896 179.778 176.870 0.020 0.000 1.073 434 L CA 1.384 56.253 54.840 0.048 0.000 0.748 434 L CB -0.646 41.445 42.059 0.055 0.000 0.891 434 L HN 0.253 nan 8.230 nan 0.000 0.431 435 A N -1.030 121.789 122.820 -0.001 0.000 1.978 435 A HA -0.207 4.113 4.320 0.000 0.000 0.220 435 A C 2.067 179.653 177.584 0.003 0.000 1.170 435 A CA 1.402 53.434 52.037 -0.008 0.000 0.636 435 A CB -0.261 18.722 19.000 -0.028 0.000 0.810 435 A HN 0.462 nan 8.150 nan 0.000 0.448 436 Q N -0.691 119.116 119.800 0.011 0.000 2.319 436 Q HA 0.073 4.413 4.340 0.000 0.000 0.202 436 Q C -0.569 175.449 176.000 0.031 0.000 0.896 436 Q CA 0.383 56.200 55.803 0.024 0.000 0.942 436 Q CB 0.037 28.799 28.738 0.040 0.000 1.083 436 Q HN 0.790 nan 8.270 nan 0.000 0.510 437 E N 0.745 120.964 120.200 0.031 0.000 2.252 437 E HA -0.251 4.099 4.350 0.000 0.000 0.218 437 E C -0.209 176.419 176.600 0.045 0.000 1.253 437 E CA 0.278 56.701 56.400 0.038 0.000 0.705 437 E CB -1.230 28.489 29.700 0.032 0.000 1.172 437 E HN 0.441 nan 8.360 nan 0.000 0.369 438 Q N -0.407 119.424 119.800 0.051 0.000 2.135 438 Q HA 0.209 4.549 4.340 0.000 0.000 0.222 438 Q C 1.638 177.677 176.000 0.065 0.000 0.808 438 Q CA -0.257 55.582 55.803 0.060 0.000 1.049 438 Q CB 0.481 29.262 28.738 0.071 0.000 1.168 438 Q HN 0.386 nan 8.270 nan 0.000 0.483 439 L N 0.598 121.860 121.223 0.066 0.000 2.081 439 L HA -0.227 4.113 4.340 0.000 0.000 0.212 439 L C 1.718 178.641 176.870 0.089 0.000 1.080 439 L CA 1.476 56.364 54.840 0.079 0.000 0.754 439 L CB -0.174 41.961 42.059 0.127 0.000 0.893 439 L HN 0.302 nan 8.230 nan 0.000 0.433 440 E N -0.224 120.024 120.200 0.080 0.000 2.489 440 E HA -0.042 4.308 4.350 0.000 0.000 0.193 440 E C 0.643 177.284 176.600 0.068 0.000 1.057 440 E CA -0.046 56.399 56.400 0.074 0.000 0.866 440 E CB 0.162 29.900 29.700 0.063 0.000 0.916 440 E HN 0.302 nan 8.360 nan 0.000 0.500 441 K N 2.051 122.493 120.400 0.070 0.000 2.312 441 K HA 0.278 4.598 4.320 0.000 0.000 0.287 441 K C -0.446 176.197 176.600 0.073 0.000 1.062 441 K CA -0.264 56.063 56.287 0.067 0.000 0.934 441 K CB 0.723 33.265 32.500 0.069 0.000 1.027 441 K HN -0.097 nan 8.250 nan 0.000 0.478 442 A N 5.294 128.153 122.820 0.065 0.000 2.477 442 A HA 0.306 4.626 4.320 0.000 0.000 0.246 442 A C -0.470 177.149 177.584 0.057 0.000 1.078 442 A CA -0.172 51.901 52.037 0.061 0.000 0.770 442 A CB 0.120 19.158 19.000 0.064 0.000 1.011 442 A HN 0.769 nan 8.150 nan 0.000 0.494 443 L N 1.834 123.075 121.223 0.029 0.000 2.354 443 L HA 0.392 4.732 4.340 0.000 0.000 0.269 443 L C -0.824 176.031 176.870 -0.025 0.000 1.005 443 L CA -1.044 53.799 54.840 0.005 0.000 0.819 443 L CB 2.054 44.089 42.059 -0.040 0.000 1.311 443 L HN 0.569 nan 8.230 nan 0.000 0.423 444 D N 1.462 121.861 120.400 -0.002 0.000 2.264 444 D HA 0.435 5.075 4.640 0.000 0.000 0.250 444 D C -0.450 175.801 176.300 -0.082 0.000 1.113 444 D CA 0.018 54.020 54.000 0.004 0.000 0.871 444 D CB 1.499 42.350 40.800 0.084 0.000 1.167 444 D HN 0.599 nan 8.370 nan 0.000 0.447 445 C N 0.858 120.097 119.300 -0.102 0.000 3.285 445 C HA 0.690 5.150 4.460 0.000 0.000 0.320 445 C C -0.869 174.065 174.990 -0.094 0.000 1.411 445 C CA -0.846 58.084 59.018 -0.147 0.000 1.429 445 C CB 1.451 29.041 27.740 -0.250 0.000 1.812 445 C HN 0.497 nan 8.230 nan 0.000 0.454 446 Q N 0.432 120.175 119.800 -0.096 0.000 2.337 446 Q HA 0.761 5.101 4.340 0.000 0.000 0.266 446 Q C -1.376 174.569 176.000 -0.093 0.000 1.023 446 Q CA -0.368 55.403 55.803 -0.053 0.000 0.829 446 Q CB 2.372 31.091 28.738 -0.032 0.000 1.306 446 Q HN 0.720 nan 8.270 nan 0.000 0.449 447 I N 2.587 123.101 120.570 -0.093 0.000 2.468 447 I HA 0.189 4.359 4.170 0.000 0.000 0.285 447 I C -1.018 175.082 176.117 -0.027 0.000 1.039 447 I CA -0.795 60.362 61.300 -0.238 0.000 1.074 447 I CB 1.152 38.704 38.000 -0.746 0.000 1.228 447 I HN 0.647 nan 8.210 nan 0.000 0.436 448 Y N 5.141 125.456 120.300 0.024 0.000 3.491 448 Y HA -0.265 4.285 4.550 0.000 0.000 0.215 448 Y C 1.492 177.334 175.900 -0.097 0.000 1.219 448 Y CA 1.152 59.253 58.100 0.002 0.000 1.485 448 Y CB -1.980 36.483 38.460 0.004 0.000 1.450 448 Y HN 0.995 nan 8.280 nan 0.000 0.603 449 G N -2.290 106.573 108.800 0.105 0.000 2.241 449 G HA2 -0.014 3.946 3.960 0.000 0.000 0.244 449 G HA3 -0.014 3.946 3.960 0.000 0.000 0.244 449 G C 0.461 175.363 174.900 0.005 0.000 0.998 449 G CA 0.136 45.260 45.100 0.039 0.000 0.621 449 G HN 1.529 nan 8.290 nan 0.000 0.519 450 A N -0.497 122.321 122.820 -0.003 0.000 2.316 450 A HA 0.646 4.966 4.320 0.000 0.000 0.284 450 A C 0.658 178.080 177.584 -0.270 0.000 1.115 450 A CA 0.444 52.337 52.037 -0.241 0.000 0.812 450 A CB 0.976 19.680 19.000 -0.493 0.000 1.064 450 A HN 1.517 nan 8.150 nan 0.000 0.489 451 C N 2.290 121.345 119.300 -0.409 0.000 2.369 451 C HA 0.737 5.197 4.460 0.000 0.000 0.358 451 C C -1.054 173.510 174.990 -0.710 0.000 1.274 451 C CA -0.420 58.413 59.018 -0.310 0.000 1.935 451 C CB -1.405 26.308 27.740 -0.044 0.000 2.431 451 C HN 0.635 nan 8.230 nan 0.000 0.545 452 Y N 2.947 123.013 120.300 -0.388 0.000 2.462 452 Y HA 0.442 4.992 4.550 -0.000 0.000 0.346 452 Y C 0.416 176.153 175.900 -0.272 0.000 0.976 452 Y CA -0.351 57.479 58.100 -0.450 0.000 1.044 452 Y CB 1.809 39.941 38.460 -0.547 0.000 1.230 452 Y HN 0.593 nan 8.280 nan 0.000 0.455 453 S N 4.356 120.007 115.700 -0.082 0.000 2.422 453 S HA 0.648 5.118 4.470 0.000 0.000 0.298 453 S C -1.004 173.629 174.600 0.055 0.000 1.118 453 S CA -0.452 57.766 58.200 0.030 0.000 1.083 453 S CB -0.300 62.958 63.200 0.095 0.000 0.971 453 S HN 0.462 nan 8.310 nan 0.000 0.478 454 I N 4.203 124.793 120.570 0.035 0.000 2.498 454 I HA 0.342 4.512 4.170 0.000 0.000 0.290 454 I C -0.075 176.071 176.117 0.048 0.000 1.032 454 I CA -0.600 60.732 61.300 0.053 0.000 1.073 454 I CB 1.993 39.995 38.000 0.005 0.000 1.251 454 I HN 0.681 nan 8.210 nan 0.000 0.426 455 E N 7.256 127.504 120.200 0.080 0.000 2.152 455 E HA 0.188 4.538 4.350 0.000 0.000 0.285 455 E C -1.663 175.003 176.600 0.109 0.000 1.043 455 E CA -1.464 54.987 56.400 0.085 0.000 0.839 455 E CB 1.122 30.875 29.700 0.088 0.000 1.069 455 E HN 0.305 nan 8.360 nan 0.000 0.399 456 P HA -0.200 nan 4.420 nan 0.000 0.217 456 P C 0.990 178.457 177.300 0.280 0.000 1.148 456 P CA 1.130 64.325 63.100 0.159 0.000 0.828 456 P CB 0.208 31.943 31.700 0.058 0.000 0.783 457 L N -1.021 120.337 121.223 0.225 0.000 2.353 457 L HA -0.139 4.201 4.340 0.000 0.000 0.220 457 L C 1.343 178.324 176.870 0.185 0.000 1.133 457 L CA 1.166 56.151 54.840 0.240 0.000 0.798 457 L CB -0.678 41.483 42.059 0.170 0.000 0.922 457 L HN -0.050 nan 8.230 nan 0.000 0.445 458 D N -0.490 120.005 120.400 0.158 0.000 2.340 458 D HA 0.009 4.649 4.640 0.000 0.000 0.220 458 D C 2.215 178.595 176.300 0.133 0.000 1.039 458 D CA 0.343 54.411 54.000 0.114 0.000 0.866 458 D CB 0.227 41.083 40.800 0.094 0.000 0.913 458 D HN 0.241 nan 8.370 nan 0.000 0.523 459 L N 0.907 122.254 121.223 0.206 0.000 2.042 459 L HA -0.149 4.191 4.340 0.000 0.000 0.210 459 L C -0.490 176.501 176.870 0.203 0.000 1.076 459 L CA 1.470 56.449 54.840 0.230 0.000 0.749 459 L CB -1.352 40.910 42.059 0.339 0.000 0.893 459 L HN 0.068 nan 8.230 nan 0.000 0.432 460 P HA -0.189 nan 4.420 nan 0.000 0.215 460 P C 1.365 178.730 177.300 0.108 0.000 1.153 460 P CA 1.231 64.384 63.100 0.087 0.000 0.853 460 P CB 0.043 31.620 31.700 -0.205 0.000 0.788 461 Q N -0.810 118.995 119.800 0.008 0.000 2.084 461 Q HA -0.107 4.233 4.340 0.000 0.000 0.202 461 Q C 2.187 178.192 176.000 0.008 0.000 0.978 461 Q CA 1.268 57.063 55.803 -0.014 0.000 0.844 461 Q CB -0.954 27.758 28.738 -0.043 0.000 0.898 461 Q HN 0.255 nan 8.270 nan 0.000 0.426 462 I N -0.021 120.569 120.570 0.033 0.000 2.179 462 I HA -0.287 3.883 4.170 0.000 0.000 0.242 462 I C 1.988 178.143 176.117 0.063 0.000 1.088 462 I CA 1.231 62.536 61.300 0.009 0.000 1.357 462 I CB -0.241 37.818 38.000 0.097 0.000 1.051 462 I HN 0.198 nan 8.210 nan 0.000 0.409 463 I N 0.375 121.038 120.570 0.155 0.000 2.226 463 I HA -0.298 3.872 4.170 0.000 0.000 0.245 463 I C 2.635 178.778 176.117 0.042 0.000 1.100 463 I CA 1.449 62.840 61.300 0.152 0.000 1.374 463 I CB -0.434 37.643 38.000 0.129 0.000 1.057 463 I HN 0.303 nan 8.210 nan 0.000 0.413 464 E N 1.163 121.436 120.200 0.122 0.000 2.058 464 E HA -0.254 4.096 4.350 0.000 0.000 0.194 464 E C 2.404 179.005 176.600 0.002 0.000 0.997 464 E CA 1.163 57.616 56.400 0.088 0.000 0.801 464 E CB 0.081 29.880 29.700 0.165 0.000 0.746 464 E HN 0.279 nan 8.360 nan 0.000 0.450 465 R N 0.117 120.603 120.500 -0.025 0.000 2.081 465 R HA -0.081 4.259 4.340 0.000 0.000 0.235 465 R C 2.485 178.718 176.300 -0.112 0.000 1.131 465 R CA 0.943 56.998 56.100 -0.076 0.000 0.960 465 R CB -0.430 29.797 30.300 -0.122 0.000 0.856 465 R HN 0.365 nan 8.270 nan 0.000 0.436 466 L N -1.045 120.093 121.223 -0.142 0.000 2.168 466 L HA -0.034 4.306 4.340 0.000 0.000 0.203 466 L C 1.917 178.522 176.870 -0.442 0.000 1.078 466 L CA 0.939 55.595 54.840 -0.307 0.000 0.780 466 L CB -0.287 41.538 42.059 -0.388 0.000 0.939 466 L HN 0.244 nan 8.230 nan 0.000 0.451 467 H N -0.776 118.221 119.070 -0.121 0.000 2.885 467 H HA 0.297 4.853 4.556 -0.000 0.000 0.260 467 H C 0.899 176.140 175.328 -0.145 0.000 0.985 467 H CA 0.774 56.736 56.048 -0.144 0.000 1.210 467 H CB 1.080 30.727 29.762 -0.191 0.000 1.466 467 H HN 0.290 nan 8.280 nan 0.000 0.493 468 G N 0.995 109.773 108.800 -0.037 0.000 2.746 468 G HA2 -0.229 3.731 3.960 0.000 0.000 0.685 468 G HA3 -0.229 3.731 3.960 0.000 0.000 0.685 468 G C 0.674 175.524 174.900 -0.084 0.000 1.350 468 G CA -0.160 44.917 45.100 -0.037 0.000 0.837 468 G HN 0.224 nan 8.290 nan 0.000 0.564 469 L N 1.017 122.258 121.223 0.030 0.000 2.187 469 L HA -0.141 4.199 4.340 0.000 0.000 0.213 469 L C 3.236 180.142 176.870 0.061 0.000 1.100 469 L CA 2.331 57.264 54.840 0.154 0.000 0.765 469 L CB -0.535 41.658 42.059 0.223 0.000 0.904 469 L HN 0.952 nan 8.230 nan 0.000 0.437 470 S N -0.028 115.663 115.700 -0.016 0.000 2.419 470 S HA -0.196 4.274 4.470 0.000 0.000 0.235 470 S C 2.100 176.620 174.600 -0.133 0.000 1.019 470 S CA 0.864 59.040 58.200 -0.040 0.000 0.982 470 S CB -0.414 62.756 63.200 -0.050 0.000 0.789 470 S HN 0.386 nan 8.310 nan 0.000 0.490 471 A N 0.698 123.339 122.820 -0.298 0.000 2.070 471 A HA 0.137 4.457 4.320 0.000 0.000 0.220 471 A C 1.504 178.856 177.584 -0.386 0.000 1.159 471 A CA 1.041 52.813 52.037 -0.442 0.000 0.656 471 A CB -0.854 17.778 19.000 -0.613 0.000 0.800 471 A HN 0.607 nan 8.150 nan 0.000 0.453 472 F N -0.909 119.060 119.950 0.031 0.000 2.765 472 F HA 0.212 4.739 4.527 0.000 0.000 0.302 472 F C 1.789 177.635 175.800 0.077 0.000 1.111 472 F CA 0.563 58.605 58.000 0.071 0.000 1.359 472 F CB 0.164 39.238 39.000 0.124 0.000 1.097 472 F HN 0.080 nan 8.300 nan 0.000 0.577 473 S N -0.732 115.065 115.700 0.162 0.000 2.687 473 S HA 0.297 4.767 4.470 0.000 0.000 0.247 473 S C 0.492 175.163 174.600 0.118 0.000 1.050 473 S CA -0.313 57.975 58.200 0.147 0.000 1.063 473 S CB 0.355 63.632 63.200 0.129 0.000 1.039 473 S HN -0.002 nan 8.310 nan 0.000 0.580 474 L N 3.787 124.998 121.223 -0.018 0.000 2.525 474 L HA 0.170 4.510 4.340 0.000 0.000 0.278 474 L C 0.433 177.203 176.870 -0.166 0.000 1.218 474 L CA 0.577 55.290 54.840 -0.211 0.000 0.878 474 L CB -0.083 41.719 42.059 -0.428 0.000 1.127 474 L HN 0.540 nan 8.230 nan 0.000 0.492 475 H N -1.164 117.698 119.070 -0.346 0.000 2.960 475 H HA 0.418 4.974 4.556 0.000 0.000 0.323 475 H C -0.256 174.916 175.328 -0.262 0.000 1.326 475 H CA -0.838 55.065 56.048 -0.241 0.000 1.124 475 H CB 1.143 30.879 29.762 -0.043 0.000 1.853 475 H HN 0.384 nan 8.280 nan 0.000 0.536 476 S N -0.640 115.047 115.700 -0.021 0.000 3.697 476 S HA -0.230 4.240 4.470 0.000 0.000 0.388 476 S C -0.637 173.973 174.600 0.017 0.000 0.941 476 S CA 0.414 58.627 58.200 0.023 0.000 1.247 476 S CB -2.554 60.597 63.200 -0.082 0.000 0.904 476 S HN 0.539 nan 8.310 nan 0.000 0.518 477 Y N 1.860 122.204 120.300 0.073 0.000 2.330 477 Y HA 0.305 4.855 4.550 -0.000 0.000 0.341 477 Y C 1.443 177.400 175.900 0.096 0.000 1.278 477 Y CA 0.400 58.550 58.100 0.083 0.000 1.453 477 Y CB 0.434 38.934 38.460 0.067 0.000 1.342 477 Y HN 0.540 nan 8.280 nan 0.000 0.590 478 S N 2.449 118.312 115.700 0.272 0.000 2.576 478 S HA 0.113 4.583 4.470 0.000 0.000 0.276 478 S C -1.816 172.869 174.600 0.141 0.000 1.339 478 S CA -1.169 57.130 58.200 0.164 0.000 1.039 478 S CB 1.154 64.425 63.200 0.119 0.000 0.902 478 S HN 0.498 nan 8.310 nan 0.000 0.516 479 P HA -0.036 nan 4.420 nan 0.000 0.218 479 P C 1.637 178.978 177.300 0.068 0.000 1.148 479 P CA 1.709 64.858 63.100 0.081 0.000 0.822 479 P CB -0.593 31.145 31.700 0.063 0.000 0.784 480 G N 0.333 109.169 108.800 0.061 0.000 2.418 480 G HA2 -0.274 3.686 3.960 0.000 0.000 0.217 480 G HA3 -0.274 3.686 3.960 0.000 0.000 0.217 480 G C 1.698 176.627 174.900 0.048 0.000 1.158 480 G CA 0.934 46.061 45.100 0.044 0.000 0.771 480 G HN 0.283 nan 8.290 nan 0.000 0.545 481 E N 0.683 120.929 120.200 0.077 0.000 2.028 481 E HA -0.053 4.297 4.350 0.000 0.000 0.191 481 E C 2.442 179.081 176.600 0.065 0.000 0.988 481 E CA 0.816 57.271 56.400 0.092 0.000 0.799 481 E CB -0.410 29.396 29.700 0.176 0.000 0.755 481 E HN 0.481 nan 8.360 nan 0.000 0.447 482 I N 0.989 121.605 120.570 0.076 0.000 2.163 482 I HA -0.330 3.840 4.170 0.000 0.000 0.243 482 I C 1.943 178.081 176.117 0.035 0.000 1.085 482 I CA 1.325 62.655 61.300 0.050 0.000 1.347 482 I CB -0.507 37.539 38.000 0.076 0.000 1.044 482 I HN 0.157 nan 8.210 nan 0.000 0.408 483 N N 0.605 119.328 118.700 0.038 0.000 2.104 483 N HA -0.216 4.524 4.740 0.000 0.000 0.190 483 N C 1.889 177.404 175.510 0.009 0.000 1.024 483 N CA 1.239 54.304 53.050 0.025 0.000 0.853 483 N CB -0.448 38.054 38.487 0.026 0.000 1.008 483 N HN 0.338 nan 8.380 nan 0.000 0.424 484 R N 0.630 121.131 120.500 0.001 0.000 2.075 484 R HA -0.017 4.324 4.340 0.000 0.000 0.232 484 R C 1.844 178.114 176.300 -0.050 0.000 1.126 484 R CA 0.860 56.944 56.100 -0.028 0.000 0.963 484 R CB -0.139 30.137 30.300 -0.039 0.000 0.858 484 R HN -0.017 nan 8.270 nan 0.000 0.435 485 V N 1.016 120.907 119.914 -0.038 0.000 2.261 485 V HA -0.242 3.878 4.120 0.000 0.000 0.246 485 V C 2.480 178.559 176.094 -0.025 0.000 1.047 485 V CA 2.023 64.293 62.300 -0.050 0.000 1.015 485 V CB -0.852 30.966 31.823 -0.008 0.000 0.642 485 V HN 0.554 nan 8.190 nan 0.000 0.446 486 A N -0.085 122.736 122.820 0.002 0.000 1.908 486 A HA -0.234 4.086 4.320 0.000 0.000 0.218 486 A C 2.459 180.053 177.584 0.017 0.000 1.181 486 A CA 2.442 54.492 52.037 0.021 0.000 0.627 486 A CB -0.770 18.248 19.000 0.031 0.000 0.818 486 A HN 0.549 nan 8.150 nan 0.000 0.445 487 S N -1.132 114.572 115.700 0.006 0.000 2.368 487 S HA -0.217 4.253 4.470 0.000 0.000 0.225 487 S C 2.022 176.623 174.600 0.002 0.000 1.030 487 S CA 1.155 59.359 58.200 0.007 0.000 0.999 487 S CB -1.055 62.145 63.200 0.000 0.000 0.844 487 S HN 0.789 nan 8.310 nan 0.000 0.459 488 C N 2.273 121.558 119.300 -0.024 0.000 2.413 488 C HA -0.043 4.417 4.460 0.000 0.000 0.276 488 C C 2.460 177.446 174.990 -0.006 0.000 1.248 488 C CA 0.690 59.685 59.018 -0.037 0.000 1.742 488 C CB -1.650 26.028 27.740 -0.103 0.000 2.017 488 C HN 0.578 nan 8.230 nan 0.000 0.481 489 L N 0.269 121.495 121.223 0.004 0.000 2.017 489 L HA -0.129 4.211 4.340 0.000 0.000 0.208 489 L C 3.033 179.925 176.870 0.037 0.000 1.073 489 L CA 1.792 56.651 54.840 0.031 0.000 0.745 489 L CB -0.898 41.197 42.059 0.061 0.000 0.894 489 L HN 0.346 nan 8.230 nan 0.000 0.432 490 R N 0.306 120.834 120.500 0.046 0.000 2.096 490 R HA -0.193 4.147 4.340 0.000 0.000 0.235 490 R C 2.350 178.723 176.300 0.122 0.000 1.127 490 R CA 1.389 57.531 56.100 0.070 0.000 0.968 490 R CB -0.266 30.070 30.300 0.060 0.000 0.861 490 R HN 0.331 nan 8.270 nan 0.000 0.440 491 K N 1.083 121.542 120.400 0.098 0.000 2.026 491 K HA -0.110 4.210 4.320 0.000 0.000 0.208 491 K C 1.861 178.598 176.600 0.228 0.000 1.048 491 K CA 1.228 57.591 56.287 0.126 0.000 0.929 491 K CB 0.023 32.563 32.500 0.067 0.000 0.713 491 K HN 0.131 nan 8.250 nan 0.000 0.439 492 L N -0.342 120.965 121.223 0.139 0.000 2.446 492 L HA 0.139 4.479 4.340 0.000 0.000 0.219 492 L C 0.795 177.617 176.870 -0.080 0.000 1.116 492 L CA 0.459 55.366 54.840 0.112 0.000 0.844 492 L CB 0.225 42.316 42.059 0.055 0.000 0.970 492 L HN 0.614 nan 8.230 nan 0.000 0.457 493 G N 0.971 109.638 108.800 -0.222 0.000 2.256 493 G HA2 -0.217 3.743 3.960 0.000 0.000 0.272 493 G HA3 -0.217 3.743 3.960 0.000 0.000 0.272 493 G C -0.109 174.651 174.900 -0.233 0.000 1.076 493 G CA -0.006 44.755 45.100 -0.564 0.000 0.882 493 G HN 0.078 nan 8.290 nan 0.000 0.497 494 V N 0.817 120.700 119.914 -0.052 0.000 2.509 494 V HA 0.419 4.539 4.120 0.000 0.000 0.284 494 V C -1.208 174.967 176.094 0.135 0.000 1.047 494 V CA -1.587 60.766 62.300 0.088 0.000 0.952 494 V CB 1.521 33.429 31.823 0.142 0.000 0.988 494 V HN 0.212 nan 8.190 nan 0.000 0.469 495 P HA 0.104 nan 4.420 nan 0.000 0.265 495 P C -2.427 174.975 177.300 0.170 0.000 1.187 495 P CA -0.653 62.459 63.100 0.021 0.000 0.766 495 P CB -0.194 31.339 31.700 -0.278 0.000 0.820 496 P HA 0.027 nan 4.420 nan 0.000 0.271 496 P C 0.895 178.348 177.300 0.254 0.000 1.233 496 P CA 0.056 63.245 63.100 0.147 0.000 0.789 496 P CB 0.709 32.453 31.700 0.072 0.000 0.951 497 L N 0.641 122.022 121.223 0.264 0.000 2.187 497 L HA -0.187 4.153 4.340 0.000 0.000 0.213 497 L C 2.851 179.899 176.870 0.298 0.000 1.100 497 L CA 1.583 56.618 54.840 0.325 0.000 0.765 497 L CB -0.751 41.418 42.059 0.183 0.000 0.904 497 L HN 0.497 nan 8.230 nan 0.000 0.437 498 R N -0.136 120.477 120.500 0.189 0.000 2.120 498 R HA -0.103 4.237 4.340 0.000 0.000 0.234 498 R C 1.909 178.290 176.300 0.135 0.000 1.123 498 R CA 1.414 57.608 56.100 0.156 0.000 0.975 498 R CB -0.745 29.609 30.300 0.090 0.000 0.866 498 R HN 0.145 nan 8.270 nan 0.000 0.446 499 V N 0.435 120.378 119.914 0.049 0.000 2.379 499 V HA -0.163 3.957 4.120 0.000 0.000 0.245 499 V C 1.919 177.983 176.094 -0.049 0.000 1.044 499 V CA 1.724 63.972 62.300 -0.087 0.000 1.036 499 V CB -0.678 30.976 31.823 -0.281 0.000 0.664 499 V HN 0.389 nan 8.190 nan 0.000 0.453 500 W N 0.197 121.605 121.300 0.180 0.000 2.363 500 W HA -0.141 4.519 4.660 -0.000 0.000 0.296 500 W C 2.764 179.502 176.519 0.366 0.000 1.212 500 W CA 1.514 59.009 57.345 0.249 0.000 1.260 500 W CB -0.316 29.279 29.460 0.224 0.000 1.131 500 W HN 0.045 nan 8.180 nan 0.000 0.530 501 R N -0.431 120.417 120.500 0.581 0.000 2.083 501 R HA -0.235 4.105 4.340 0.000 0.000 0.237 501 R C 2.109 178.543 176.300 0.224 0.000 1.137 501 R CA 2.156 58.553 56.100 0.495 0.000 0.951 501 R CB -0.725 29.835 30.300 0.433 0.000 0.851 501 R HN 0.257 nan 8.270 nan 0.000 0.434 502 H N 0.185 119.318 119.070 0.105 0.000 2.319 502 H HA -0.091 4.465 4.556 0.000 0.000 0.299 502 H C 2.006 177.327 175.328 -0.012 0.000 1.092 502 H CA 2.256 58.313 56.048 0.016 0.000 1.302 502 H CB 0.118 29.871 29.762 -0.014 0.000 1.373 502 H HN 0.112 nan 8.280 nan 0.000 0.497 503 R N -0.224 120.311 120.500 0.058 0.000 2.096 503 R HA -0.051 4.289 4.340 0.000 0.000 0.235 503 R C 2.558 178.823 176.300 -0.057 0.000 1.127 503 R CA 0.924 57.017 56.100 -0.011 0.000 0.968 503 R CB -0.255 30.075 30.300 0.049 0.000 0.861 503 R HN 0.410 nan 8.270 nan 0.000 0.440 504 A N 1.333 124.162 122.820 0.015 0.000 1.969 504 A HA -0.147 4.173 4.320 0.000 0.000 0.218 504 A C 2.046 179.401 177.584 -0.382 0.000 1.169 504 A CA 1.021 52.950 52.037 -0.179 0.000 0.635 504 A CB -0.287 18.659 19.000 -0.090 0.000 0.810 504 A HN 0.215 nan 8.150 nan 0.000 0.445 505 R N -0.560 119.761 120.500 -0.298 0.000 2.091 505 R HA -0.118 4.223 4.340 0.000 0.000 0.238 505 R C 2.634 178.765 176.300 -0.281 0.000 1.136 505 R CA 1.550 57.477 56.100 -0.289 0.000 0.959 505 R CB -0.457 29.697 30.300 -0.245 0.000 0.856 505 R HN 0.558 nan 8.270 nan 0.000 0.437 506 S N 0.339 115.868 115.700 -0.285 0.000 2.345 506 S HA -0.105 4.365 4.470 0.000 0.000 0.220 506 S C 2.094 176.555 174.600 -0.232 0.000 1.031 506 S CA 1.335 59.395 58.200 -0.233 0.000 0.996 506 S CB -0.191 62.882 63.200 -0.212 0.000 0.882 506 S HN 0.117 nan 8.310 nan 0.000 0.445 507 V N 2.854 122.596 119.914 -0.288 0.000 2.282 507 V HA -0.210 3.910 4.120 0.000 0.000 0.249 507 V C 2.736 178.574 176.094 -0.427 0.000 1.057 507 V CA 2.415 64.507 62.300 -0.348 0.000 1.032 507 V CB -0.955 30.588 31.823 -0.468 0.000 0.645 507 V HN 0.537 nan 8.190 nan 0.000 0.447 508 R N 0.328 120.492 120.500 -0.560 0.000 2.083 508 R HA -0.212 4.128 4.340 0.000 0.000 0.237 508 R C 2.291 178.473 176.300 -0.196 0.000 1.137 508 R CA 1.956 57.830 56.100 -0.376 0.000 0.951 508 R CB -0.514 29.597 30.300 -0.315 0.000 0.851 508 R HN 0.481 nan 8.270 nan 0.000 0.434 509 A N 1.047 123.756 122.820 -0.185 0.000 1.877 509 A HA -0.157 4.163 4.320 0.000 0.000 0.216 509 A C 2.220 179.749 177.584 -0.091 0.000 1.186 509 A CA 1.541 53.504 52.037 -0.123 0.000 0.620 509 A CB -0.500 18.426 19.000 -0.123 0.000 0.822 509 A HN 0.401 nan 8.150 nan 0.000 0.443 510 R N -0.591 119.851 120.500 -0.098 0.000 2.103 510 R HA -0.117 4.223 4.340 0.000 0.000 0.242 510 R C 2.084 178.368 176.300 -0.027 0.000 1.142 510 R CA 1.659 57.724 56.100 -0.057 0.000 0.960 510 R CB -0.571 29.695 30.300 -0.056 0.000 0.858 510 R HN 0.521 nan 8.270 nan 0.000 0.439 511 L N 0.349 121.553 121.223 -0.032 0.000 2.027 511 L HA -0.185 4.155 4.340 0.000 0.000 0.206 511 L C 2.376 179.254 176.870 0.014 0.000 1.074 511 L CA 1.162 56.014 54.840 0.021 0.000 0.745 511 L CB -0.383 41.699 42.059 0.038 0.000 0.898 511 L HN 0.201 nan 8.230 nan 0.000 0.433 512 L N -0.398 120.816 121.223 -0.016 0.000 2.046 512 L HA -0.213 4.127 4.340 0.000 0.000 0.208 512 L C 2.794 179.659 176.870 -0.009 0.000 1.077 512 L CA 1.616 56.447 54.840 -0.014 0.000 0.747 512 L CB -0.632 41.405 42.059 -0.037 0.000 0.896 512 L HN 0.404 nan 8.230 nan 0.000 0.432 513 S N -1.062 114.628 115.700 -0.016 0.000 2.500 513 S HA -0.191 4.279 4.470 0.000 0.000 0.239 513 S C 1.667 176.268 174.600 0.002 0.000 0.989 513 S CA 0.844 59.037 58.200 -0.012 0.000 0.951 513 S CB -0.215 62.973 63.200 -0.020 0.000 0.759 513 S HN 0.530 nan 8.310 nan 0.000 0.523 514 Q N 0.567 120.375 119.800 0.013 0.000 2.384 514 Q HA 0.332 4.672 4.340 0.000 0.000 0.207 514 Q C 1.284 177.301 176.000 0.028 0.000 0.904 514 Q CA 0.143 55.960 55.803 0.024 0.000 0.933 514 Q CB 0.209 28.971 28.738 0.040 0.000 1.077 514 Q HN 0.721 nan 8.270 nan 0.000 0.522 515 G N 0.442 109.257 108.800 0.025 0.000 2.749 515 G HA2 -0.155 3.805 3.960 0.000 0.000 0.242 515 G HA3 -0.155 3.805 3.960 0.000 0.000 0.242 515 G C 0.456 175.379 174.900 0.038 0.000 1.364 515 G CA -0.274 44.842 45.100 0.026 0.000 0.888 515 G HN 0.719 nan 8.290 nan 0.000 0.566 516 G N -1.027 107.794 108.800 0.035 0.000 2.566 516 G HA2 -0.213 3.747 3.960 0.000 0.000 0.280 516 G HA3 -0.213 3.747 3.960 0.000 0.000 0.280 516 G C 1.047 175.977 174.900 0.050 0.000 1.225 516 G CA 1.338 46.462 45.100 0.039 0.000 0.966 516 G HN 1.523 nan 8.290 nan 0.000 0.560 517 R N 0.320 120.855 120.500 0.058 0.000 2.120 517 R HA 0.143 4.483 4.340 0.000 0.000 0.234 517 R C 3.214 179.575 176.300 0.101 0.000 1.123 517 R CA 2.007 58.150 56.100 0.071 0.000 0.975 517 R CB -0.535 29.811 30.300 0.077 0.000 0.866 517 R HN 0.706 nan 8.270 nan 0.000 0.446 518 A N 1.172 124.058 122.820 0.110 0.000 1.877 518 A HA -0.130 4.190 4.320 0.000 0.000 0.216 518 A C 2.369 180.016 177.584 0.104 0.000 1.186 518 A CA 1.695 53.815 52.037 0.138 0.000 0.620 518 A CB -0.756 18.319 19.000 0.124 0.000 0.822 518 A HN 0.387 nan 8.150 nan 0.000 0.443 519 A N -0.992 121.870 122.820 0.071 0.000 1.933 519 A HA -0.105 4.215 4.320 0.000 0.000 0.218 519 A C 2.284 179.906 177.584 0.064 0.000 1.175 519 A CA 2.333 54.400 52.037 0.050 0.000 0.628 519 A CB -1.335 17.686 19.000 0.034 0.000 0.814 519 A HN 0.440 nan 8.150 nan 0.000 0.444 520 T N -0.778 113.825 114.554 0.082 0.000 2.759 520 T HA -0.202 4.148 4.350 0.000 0.000 0.269 520 T C 1.891 176.660 174.700 0.115 0.000 1.042 520 T CA 1.565 63.739 62.100 0.122 0.000 1.140 520 T CB -0.696 68.200 68.868 0.048 0.000 0.864 520 T HN 0.591 nan 8.240 nan 0.000 0.455 521 C N 1.260 120.600 119.300 0.067 0.000 2.432 521 C HA 0.036 4.496 4.460 0.000 0.000 0.277 521 C C 3.126 178.132 174.990 0.025 0.000 1.249 521 C CA 0.545 59.563 59.018 0.000 0.000 1.725 521 C CB -1.515 26.241 27.740 0.027 0.000 2.028 521 C HN 0.727 nan 8.230 nan 0.000 0.477 522 G N 0.105 108.959 108.800 0.089 0.000 2.446 522 G HA2 -0.295 3.665 3.960 0.000 0.000 0.217 522 G HA3 -0.295 3.665 3.960 0.000 0.000 0.217 522 G C 1.638 176.574 174.900 0.061 0.000 1.168 522 G CA 1.263 46.440 45.100 0.127 0.000 0.771 522 G HN 0.648 nan 8.290 nan 0.000 0.551 523 K N -0.918 119.475 120.400 -0.012 0.000 2.001 523 K HA -0.069 4.251 4.320 0.000 0.000 0.208 523 K C 2.238 178.655 176.600 -0.305 0.000 1.048 523 K CA 1.208 57.404 56.287 -0.152 0.000 0.932 523 K CB -0.258 32.139 32.500 -0.171 0.000 0.715 523 K HN 0.413 nan 8.250 nan 0.000 0.437 524 Y N 0.647 120.759 120.300 -0.312 0.000 2.230 524 Y HA 0.024 4.574 4.550 -0.000 0.000 0.294 524 Y C 2.047 177.639 175.900 -0.514 0.000 1.120 524 Y CA 0.719 58.438 58.100 -0.636 0.000 1.129 524 Y CB -0.066 37.736 38.460 -1.098 0.000 1.040 524 Y HN -0.060 nan 8.280 nan 0.000 0.519 525 L N -1.555 119.515 121.223 -0.254 0.000 2.131 525 L HA -0.170 4.170 4.340 0.000 0.000 0.210 525 L C 0.717 177.295 176.870 -0.486 0.000 1.092 525 L CA 1.473 56.104 54.840 -0.348 0.000 0.759 525 L CB -0.363 41.273 42.059 -0.705 0.000 0.903 525 L HN 0.211 nan 8.230 nan 0.000 0.435 526 F N -1.783 118.111 119.950 -0.092 0.000 2.698 526 F HA 0.176 4.703 4.527 0.000 0.000 0.304 526 F C 1.570 177.073 175.800 -0.496 0.000 1.108 526 F CA -0.389 57.376 58.000 -0.392 0.000 1.263 526 F CB -0.460 38.306 39.000 -0.389 0.000 1.013 526 F HN -0.082 nan 8.300 nan 0.000 0.532 527 N N 1.177 119.799 118.700 -0.130 0.000 2.289 527 N HA -0.197 4.543 4.740 0.000 0.000 0.184 527 N C 2.019 177.506 175.510 -0.039 0.000 1.016 527 N CA 1.608 54.597 53.050 -0.103 0.000 0.872 527 N CB -0.206 38.232 38.487 -0.081 0.000 0.973 527 N HN 0.526 nan 8.380 nan 0.000 0.433 528 W N -0.386 120.957 121.300 0.071 0.000 2.387 528 W HA 0.013 4.674 4.660 0.000 0.000 0.272 528 W C 1.171 177.747 176.519 0.096 0.000 1.224 528 W CA 0.805 58.201 57.345 0.086 0.000 1.210 528 W CB -0.856 28.667 29.460 0.105 0.000 1.125 528 W HN 0.081 nan 8.180 nan 0.000 0.572 529 A N 1.267 123.761 122.820 -0.543 0.000 2.195 529 A HA 0.250 4.570 4.320 0.000 0.000 0.210 529 A C 0.937 178.395 177.584 -0.210 0.000 1.165 529 A CA 0.828 52.527 52.037 -0.565 0.000 0.806 529 A CB -0.692 17.648 19.000 -1.100 0.000 0.847 529 A HN 0.115 nan 8.150 nan 0.000 0.482 530 V N -4.373 115.447 119.914 -0.156 0.000 2.612 530 V HA 0.799 4.919 4.120 0.000 0.000 0.301 530 V C 1.127 177.199 176.094 -0.037 0.000 1.046 530 V CA -0.203 62.041 62.300 -0.093 0.000 0.946 530 V CB 0.859 32.617 31.823 -0.108 0.000 1.003 530 V HN 0.283 nan 8.190 nan 0.000 0.459 531 K N 1.763 122.148 120.400 -0.026 0.000 2.062 531 K HA 0.052 4.372 4.320 0.000 0.000 0.205 531 K C 1.169 177.754 176.600 -0.024 0.000 1.051 531 K CA 1.857 58.137 56.287 -0.012 0.000 0.941 531 K CB -0.888 31.607 32.500 -0.007 0.000 0.719 531 K HN 0.843 nan 8.250 nan 0.000 0.440 532 T N 2.632 117.165 114.554 -0.035 0.000 2.875 532 T HA 0.371 4.721 4.350 0.000 0.000 0.307 532 T C -0.541 174.128 174.700 -0.051 0.000 1.013 532 T CA -0.436 61.640 62.100 -0.039 0.000 0.970 532 T CB 0.649 69.494 68.868 -0.038 0.000 0.986 532 T HN 0.245 nan 8.240 nan 0.000 0.536 533 K N 2.710 123.081 120.400 -0.048 0.000 2.326 533 K HA 0.356 4.676 4.320 0.000 0.000 0.275 533 K C 0.289 176.846 176.600 -0.072 0.000 1.018 533 K CA -0.249 56.004 56.287 -0.058 0.000 0.962 533 K CB 0.443 32.918 32.500 -0.042 0.000 0.953 533 K HN 0.474 nan 8.250 nan 0.000 0.475 534 L N 1.999 123.161 121.223 -0.101 0.000 2.456 534 L HA 0.265 4.605 4.340 0.000 0.000 0.257 534 L C 0.530 177.322 176.870 -0.129 0.000 1.162 534 L CA -0.541 54.226 54.840 -0.121 0.000 0.808 534 L CB 0.666 42.627 42.059 -0.164 0.000 1.136 534 L HN 0.519 nan 8.230 nan 0.000 0.466 535 K N 2.138 122.468 120.400 -0.116 0.000 2.276 535 K HA 0.400 4.720 4.320 0.000 0.000 0.285 535 K C -1.111 175.402 176.600 -0.146 0.000 1.062 535 K CA -0.422 55.809 56.287 -0.094 0.000 0.918 535 K CB 0.551 33.022 32.500 -0.049 0.000 1.055 535 K HN 0.459 nan 8.250 nan 0.000 0.477 536 L N 5.568 126.716 121.223 -0.124 0.000 2.264 536 L HA 0.270 4.610 4.340 0.000 0.000 0.287 536 L C 0.268 177.198 176.870 0.101 0.000 1.039 536 L CA -0.749 54.007 54.840 -0.140 0.000 0.829 536 L CB 1.012 42.990 42.059 -0.134 0.000 1.211 536 L HN 0.792 nan 8.230 nan 0.000 0.427 537 T N 0.430 115.086 114.554 0.169 0.000 2.952 537 T HA 0.573 4.923 4.350 0.000 0.000 0.286 537 T C -2.620 172.219 174.700 0.231 0.000 1.024 537 T CA -2.448 59.752 62.100 0.168 0.000 1.029 537 T CB 1.541 70.472 68.868 0.105 0.000 1.094 537 T HN 0.145 nan 8.240 nan 0.000 0.515 538 P HA 0.173 nan 4.420 nan 0.000 0.262 538 P C -0.533 176.784 177.300 0.029 0.000 1.182 538 P CA -0.007 63.143 63.100 0.082 0.000 0.761 538 P CB 0.019 31.750 31.700 0.052 0.000 0.795 539 I N 6.489 127.014 120.570 -0.075 0.000 2.396 539 I HA 0.084 4.254 4.170 0.000 0.000 0.289 539 I C -1.136 174.938 176.117 -0.072 0.000 1.056 539 I CA -1.599 59.614 61.300 -0.146 0.000 1.365 539 I CB 0.814 38.620 38.000 -0.323 0.000 1.407 539 I HN 0.345 nan 8.210 nan 0.000 0.509 540 P HA -0.237 nan 4.420 nan 0.000 0.216 540 P C 1.414 178.693 177.300 -0.034 0.000 1.153 540 P CA 1.245 64.330 63.100 -0.025 0.000 0.858 540 P CB 0.212 31.904 31.700 -0.013 0.000 0.789 541 A N -0.319 122.476 122.820 -0.043 0.000 2.121 541 A HA -0.023 4.297 4.320 0.000 0.000 0.218 541 A C 2.248 179.802 177.584 -0.049 0.000 1.154 541 A CA 1.601 53.614 52.037 -0.039 0.000 0.679 541 A CB -1.392 17.587 19.000 -0.035 0.000 0.795 541 A HN 0.203 nan 8.150 nan 0.000 0.458 542 A N -0.402 122.382 122.820 -0.060 0.000 2.019 542 A HA 0.098 4.418 4.320 0.000 0.000 0.219 542 A C 2.408 179.954 177.584 -0.064 0.000 1.164 542 A CA 2.050 54.048 52.037 -0.064 0.000 0.644 542 A CB -0.978 17.986 19.000 -0.060 0.000 0.805 542 A HN 0.876 nan 8.150 nan 0.000 0.449 543 S N -0.853 114.817 115.700 -0.050 0.000 2.515 543 S HA 0.137 4.607 4.470 0.000 0.000 0.231 543 S C 2.009 176.578 174.600 -0.050 0.000 0.987 543 S CA 1.494 59.666 58.200 -0.047 0.000 0.936 543 S CB -0.517 62.664 63.200 -0.032 0.000 0.766 543 S HN 0.769 nan 8.310 nan 0.000 0.528 544 R N 0.049 120.519 120.500 -0.051 0.000 2.223 544 R HA 0.703 5.043 4.340 0.000 0.000 0.198 544 R C 1.237 177.499 176.300 -0.062 0.000 0.984 544 R CA 0.700 56.772 56.100 -0.047 0.000 1.018 544 R CB -1.710 28.570 30.300 -0.033 0.000 0.945 544 R HN 0.935 nan 8.270 nan 0.000 0.479 545 L N 2.098 123.269 121.223 -0.086 0.000 2.513 545 L HA 0.407 4.747 4.340 0.000 0.000 0.272 545 L C 0.065 176.841 176.870 -0.158 0.000 1.187 545 L CA -0.027 54.739 54.840 -0.122 0.000 0.895 545 L CB 0.203 42.163 42.059 -0.166 0.000 1.147 545 L HN 0.486 nan 8.230 nan 0.000 0.483 546 D N 2.851 123.168 120.400 -0.137 0.000 2.422 546 D HA 0.356 4.996 4.640 0.000 0.000 0.227 546 D C 0.382 176.529 176.300 -0.255 0.000 1.190 546 D CA -0.106 53.813 54.000 -0.136 0.000 0.905 546 D CB 1.023 41.789 40.800 -0.058 0.000 1.034 546 D HN 0.450 nan 8.370 nan 0.000 0.507 547 L N 2.656 123.659 121.223 -0.367 0.000 2.700 547 L HA 0.126 4.466 4.340 0.000 0.000 0.234 547 L C 0.751 177.434 176.870 -0.311 0.000 1.156 547 L CA -0.003 54.419 54.840 -0.698 0.000 0.946 547 L CB -0.613 41.012 42.059 -0.723 0.000 1.216 547 L HN 0.299 nan 8.230 nan 0.000 0.493 548 S N -0.836 114.800 115.700 -0.107 0.000 2.549 548 S HA 0.441 4.911 4.470 0.000 0.000 0.283 548 S C 1.394 176.067 174.600 0.121 0.000 1.320 548 S CA 0.171 58.379 58.200 0.014 0.000 1.058 548 S CB 0.869 64.069 63.200 -0.000 0.000 0.882 548 S HN 0.590 nan 8.310 nan 0.000 0.498 549 G N 2.479 111.375 108.800 0.159 0.000 2.217 549 G HA2 -0.250 3.710 3.960 0.000 0.000 0.246 549 G HA3 -0.250 3.710 3.960 0.000 0.000 0.246 549 G C 0.510 175.645 174.900 0.392 0.000 0.990 549 G CA 0.289 45.512 45.100 0.206 0.000 0.627 549 G HN 0.693 nan 8.290 nan 0.000 0.522 550 W N 0.175 121.454 121.300 -0.034 0.000 2.379 550 W HA 0.438 5.098 4.660 -0.000 0.000 0.307 550 W C 1.241 177.382 176.519 -0.630 0.000 1.200 550 W CA 1.359 58.456 57.345 -0.414 0.000 1.297 550 W CB -0.369 28.636 29.460 -0.758 0.000 1.140 550 W HN 0.206 nan 8.180 nan 0.000 0.507 551 F N -0.654 119.480 119.950 0.308 0.000 2.523 551 F HA 0.305 4.832 4.527 0.000 0.000 0.322 551 F C 0.520 176.468 175.800 0.248 0.000 1.361 551 F CA -0.461 57.700 58.000 0.268 0.000 1.151 551 F CB -0.117 38.989 39.000 0.176 0.000 1.391 551 F HN -0.390 nan 8.300 nan 0.000 0.566 552 V N -0.133 120.002 119.914 0.368 0.000 2.911 552 V HA 0.599 4.719 4.120 0.000 0.000 0.237 552 V C 0.891 177.139 176.094 0.256 0.000 1.156 552 V CA 0.594 63.054 62.300 0.266 0.000 1.180 552 V CB 0.394 32.354 31.823 0.228 0.000 0.932 552 V HN 0.391 nan 8.190 nan 0.000 0.483 553 A N -0.549 122.376 122.820 0.175 0.000 2.594 553 A HA 0.789 5.109 4.320 0.000 0.000 0.291 553 A C -0.238 177.005 177.584 -0.568 0.000 1.105 553 A CA 0.073 52.056 52.037 -0.090 0.000 0.694 553 A CB 1.176 19.973 19.000 -0.338 0.000 1.291 553 A HN 0.398 nan 8.150 nan 0.000 0.410 554 G N -1.218 106.973 108.800 -1.015 0.000 2.377 554 G HA2 0.529 4.489 3.960 0.000 0.000 0.299 554 G HA3 0.529 4.489 3.960 0.000 0.000 0.299 554 G C -0.815 173.434 174.900 -1.084 0.000 1.150 554 G CA -0.033 44.084 45.100 -1.638 0.000 0.847 554 G HN 0.589 nan 8.290 nan 0.000 0.501 555 Y N 0.741 120.807 120.300 -0.390 0.000 2.779 555 Y HA 0.294 4.844 4.550 0.000 0.000 0.251 555 Y C 1.430 177.239 175.900 -0.153 0.000 1.145 555 Y CA -0.855 57.118 58.100 -0.212 0.000 1.201 555 Y CB 0.409 38.759 38.460 -0.184 0.000 1.281 555 Y HN 0.507 nan 8.280 nan 0.000 0.563 556 S N 0.699 116.360 115.700 -0.065 0.000 2.575 556 S HA 0.297 4.767 4.470 0.000 0.000 0.295 556 S C 1.475 176.091 174.600 0.028 0.000 1.267 556 S CA 1.554 59.750 58.200 -0.007 0.000 1.074 556 S CB -0.033 63.165 63.200 -0.003 0.000 0.829 556 S HN 1.032 nan 8.310 nan 0.000 0.497 557 G N 3.535 112.357 108.800 0.036 0.000 2.205 557 G HA2 -0.231 3.729 3.960 0.000 0.000 0.261 557 G HA3 -0.231 3.729 3.960 0.000 0.000 0.261 557 G C 0.819 175.753 174.900 0.056 0.000 0.980 557 G CA 0.404 45.534 45.100 0.050 0.000 0.632 557 G HN 1.351 nan 8.290 nan 0.000 0.533 558 G N -0.169 108.665 108.800 0.058 0.000 3.042 558 G HA2 0.397 4.357 3.960 0.000 0.000 0.212 558 G HA3 0.397 4.357 3.960 0.000 0.000 0.212 558 G C 0.465 175.388 174.900 0.038 0.000 1.166 558 G CA 1.158 46.306 45.100 0.080 0.000 0.767 558 G HN 1.254 nan 8.290 nan 0.000 0.546 559 D N -0.479 119.915 120.400 -0.010 0.000 2.716 559 D HA -0.162 4.478 4.640 0.000 0.000 0.239 559 D C -0.151 176.098 176.300 -0.085 0.000 1.125 559 D CA 0.325 54.298 54.000 -0.046 0.000 0.681 559 D CB -1.232 39.555 40.800 -0.022 0.000 1.070 559 D HN 0.118 nan 8.370 nan 0.000 0.432 560 I N 1.401 121.880 120.570 -0.152 0.000 2.404 560 I HA 0.340 4.510 4.170 0.000 0.000 0.293 560 I C -0.118 175.811 176.117 -0.314 0.000 0.992 560 I CA -0.762 60.356 61.300 -0.303 0.000 1.149 560 I CB 1.192 38.822 38.000 -0.617 0.000 1.315 560 I HN 0.102 nan 8.210 nan 0.000 0.446 561 Y N 5.587 125.648 120.300 -0.398 0.000 2.331 561 Y HA 0.384 4.934 4.550 -0.000 0.000 0.334 561 Y C -0.090 175.630 175.900 -0.299 0.000 0.960 561 Y CA -0.350 57.530 58.100 -0.366 0.000 1.130 561 Y CB 1.056 39.367 38.460 -0.248 0.000 1.164 561 Y HN 0.549 nan 8.280 nan 0.000 0.458 562 H N 3.865 122.313 119.070 -1.036 0.000 2.505 562 H HA 0.402 4.958 4.556 -0.000 0.000 0.260 562 H C -0.587 174.289 175.328 -0.754 0.000 1.232 562 H CA -0.381 55.160 56.048 -0.845 0.000 0.991 562 H CB 0.623 29.758 29.762 -1.045 0.000 1.729 562 H HN 0.463 nan 8.280 nan 0.000 0.561 563 S N 0.499 115.766 115.700 -0.721 0.000 2.568 563 S HA 0.498 4.968 4.470 0.000 0.000 0.293 563 S C 0.494 175.056 174.600 -0.063 0.000 1.089 563 S CA -0.666 57.319 58.200 -0.359 0.000 0.945 563 S CB 1.735 64.666 63.200 -0.447 0.000 1.077 563 S HN 0.332 nan 8.310 nan 0.000 0.485 564 L N 0.000 121.227 121.223 0.006 0.000 2.949 564 L HA 0.000 4.340 4.340 0.000 0.000 0.249 564 L CA 0.000 54.858 54.840 0.031 0.000 0.813 564 L CB 0.000 42.073 42.059 0.023 0.000 0.961 564 L HN 0.000 nan 8.230 nan 0.000 0.502