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 3cj4_1_A DATA FIRST_RESID 0 DATA SEQUENCE HHMSYTWTGA LITPCAAEES KLPINALSNS LLRHHNMVYA TTSRSAGLRQ DATA SEQUENCE KKVTFDRLQV LDDHYRDVLK EMKAKASTVK AKLLSVEEAC KLTPPHSAKS DATA SEQUENCE KFGYGAKDVR NLSSKAVNHI HSVWKDLLED TVTPIDTTIM AKNEVFCVQX DATA SEQUENCE XXXXRKPARL 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 IYH 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 0.000 175.255 175.328 -0.121 0.000 0.993 0 H CA 0.000 56.048 56.048 0.000 0.000 1.023 0 H CB 0.000 29.769 29.762 0.011 0.000 1.292 1 H N 3.509 122.568 119.070 -0.019 0.000 2.375 1 H HA 0.234 4.943 4.556 0.255 0.000 0.230 1 H C -0.018 175.278 175.328 -0.053 0.000 1.511 1 H CA -0.509 55.517 56.048 -0.035 0.000 1.215 1 H CB -0.023 29.724 29.762 -0.025 0.000 1.580 1 H HN 0.462 nan 8.280 nan 0.000 0.537 2 M N 1.265 120.858 119.600 -0.013 0.000 2.211 2 M HA 0.029 4.662 4.480 0.256 0.000 0.356 2 M C 1.758 177.960 176.300 -0.164 0.000 1.216 2 M CA 0.006 55.272 55.300 -0.057 0.000 1.134 2 M CB 1.247 33.820 32.600 -0.046 0.000 1.564 2 M HN 0.344 nan 8.290 nan 0.000 0.463 3 S N 2.641 118.179 115.700 -0.270 0.000 2.370 3 S HA -0.103 4.520 4.470 0.256 0.000 0.226 3 S C 0.116 174.302 174.600 -0.689 0.000 1.033 3 S CA 1.073 58.987 58.200 -0.477 0.000 1.011 3 S CB -0.263 62.585 63.200 -0.587 0.000 0.852 3 S HN 0.653 nan 8.310 nan 0.000 0.457 4 Y N 0.858 120.983 120.300 -0.292 0.000 2.534 4 Y HA 0.557 5.260 4.550 0.255 0.000 0.345 4 Y C 0.005 175.564 175.900 -0.569 0.000 1.031 4 Y CA -0.959 56.822 58.100 -0.531 0.000 1.022 4 Y CB 1.990 39.934 38.460 -0.859 0.000 1.292 4 Y HN 0.121 nan 8.280 nan 0.000 0.459 5 T N -2.275 112.001 114.554 -0.464 0.000 2.887 5 T HA 0.714 5.217 4.350 0.256 0.000 0.288 5 T C -1.308 173.093 174.700 -0.498 0.000 1.021 5 T CA -0.834 61.050 62.100 -0.361 0.000 1.000 5 T CB 1.276 70.066 68.868 -0.131 0.000 1.034 5 T HN 0.559 nan 8.240 nan 0.000 0.467 6 W N 0.793 122.147 121.300 0.090 0.000 2.819 6 W HA 0.463 5.276 4.660 0.255 0.000 0.337 6 W C 1.416 177.962 176.519 0.046 0.000 1.077 6 W CA -0.806 56.577 57.345 0.063 0.000 1.226 6 W CB 2.184 31.667 29.460 0.039 0.000 1.419 6 W HN 0.935 nan 8.180 nan 0.000 0.502 7 T N -2.066 112.665 114.554 0.294 0.000 3.009 7 T HA 0.295 4.799 4.350 0.256 0.000 0.258 7 T C 1.462 176.246 174.700 0.140 0.000 1.063 7 T CA 1.174 63.376 62.100 0.169 0.000 1.139 7 T CB -0.022 68.923 68.868 0.128 0.000 0.890 7 T HN 1.187 nan 8.240 nan 0.000 0.471 8 G N 1.198 110.088 108.800 0.150 0.000 2.284 8 G HA2 0.086 4.200 3.960 0.256 0.000 0.201 8 G HA3 0.086 4.200 3.960 0.256 0.000 0.201 8 G C 0.368 175.292 174.900 0.040 0.000 0.998 8 G CA -0.135 45.009 45.100 0.073 0.000 0.651 8 G HN 1.080 nan 8.290 nan 0.000 0.489 9 A N 1.383 124.239 122.820 0.061 0.000 2.540 9 A HA 0.576 5.049 4.320 0.256 0.000 0.239 9 A C 0.923 178.513 177.584 0.011 0.000 1.061 9 A CA 0.272 52.332 52.037 0.038 0.000 0.758 9 A CB 0.081 19.113 19.000 0.053 0.000 0.991 9 A HN 0.873 nan 8.150 nan 0.000 0.502 10 L N 2.152 123.368 121.223 -0.012 0.000 2.452 10 L HA 0.199 4.692 4.340 0.256 0.000 0.267 10 L C 0.250 177.099 176.870 -0.035 0.000 1.188 10 L CA -0.178 54.637 54.840 -0.043 0.000 0.821 10 L CB 0.387 42.426 42.059 -0.033 0.000 1.102 10 L HN 0.552 nan 8.230 nan 0.000 0.470 11 I N 1.674 122.204 120.570 -0.067 0.000 2.379 11 I HA 0.082 4.405 4.170 0.256 0.000 0.290 11 I C 0.480 176.585 176.117 -0.019 0.000 1.063 11 I CA -0.017 61.258 61.300 -0.041 0.000 1.351 11 I CB 0.757 38.715 38.000 -0.069 0.000 1.410 11 I HN 0.650 nan 8.210 nan 0.000 0.505 12 T N 4.923 119.477 114.554 0.001 0.000 2.888 12 T HA 0.589 5.092 4.350 0.256 0.000 0.284 12 T C -2.504 172.210 174.700 0.022 0.000 1.017 12 T CA -2.104 60.001 62.100 0.008 0.000 1.022 12 T CB 1.912 70.785 68.868 0.008 0.000 1.013 12 T HN 0.273 nan 8.240 nan 0.000 0.465 13 P HA 0.286 nan 4.420 nan 0.000 0.279 13 P C 0.582 177.903 177.300 0.035 0.000 1.252 13 P CA -0.753 62.369 63.100 0.036 0.000 0.811 13 P CB 0.809 32.530 31.700 0.036 0.000 1.035 14 C N -0.367 118.959 119.300 0.043 0.000 3.000 14 C HA 0.825 5.439 4.460 0.256 0.000 0.286 14 C C 0.512 175.522 174.990 0.033 0.000 1.343 14 C CA -0.246 58.794 59.018 0.037 0.000 1.742 14 C CB -1.125 26.644 27.740 0.049 0.000 2.200 14 C HN 0.668 nan 8.230 nan 0.000 0.621 15 A N 0.359 123.200 122.820 0.035 0.000 2.581 15 A HA 0.850 5.323 4.320 0.256 0.000 0.290 15 A C -0.505 177.103 177.584 0.040 0.000 1.119 15 A CA 0.099 52.157 52.037 0.035 0.000 0.670 15 A CB 0.062 19.084 19.000 0.036 0.000 1.280 15 A HN 1.361 nan 8.150 nan 0.000 0.425 16 A N 0.158 123.003 122.820 0.042 0.000 2.440 16 A HA 0.571 5.044 4.320 0.256 0.000 0.251 16 A C -0.072 177.551 177.584 0.066 0.000 1.089 16 A CA 0.111 52.177 52.037 0.049 0.000 0.779 16 A CB -0.141 18.885 19.000 0.044 0.000 1.022 16 A HN 0.659 nan 8.150 nan 0.000 0.492 17 E N 1.305 121.549 120.200 0.074 0.000 2.171 17 E HA 0.341 4.845 4.350 0.256 0.000 0.271 17 E C -0.930 175.747 176.600 0.129 0.000 0.916 17 E CA -0.385 56.074 56.400 0.097 0.000 0.774 17 E CB 1.596 31.346 29.700 0.083 0.000 1.128 17 E HN 0.739 nan 8.360 nan 0.000 0.403 18 E N 1.049 121.366 120.200 0.194 0.000 2.175 18 E HA 0.138 4.642 4.350 0.256 0.000 0.278 18 E C 0.168 176.979 176.600 0.352 0.000 0.969 18 E CA -0.207 56.349 56.400 0.259 0.000 0.796 18 E CB 1.438 31.326 29.700 0.313 0.000 1.104 18 E HN 0.534 nan 8.360 nan 0.000 0.395 19 S N 2.484 118.368 115.700 0.307 0.000 2.514 19 S HA -0.001 4.622 4.470 0.256 0.000 0.223 19 S C 0.663 175.538 174.600 0.459 0.000 1.046 19 S CA -0.228 58.181 58.200 0.349 0.000 0.914 19 S CB 0.056 63.397 63.200 0.234 0.000 0.807 19 S HN 0.399 nan 8.310 nan 0.000 0.497 20 K N 1.619 122.213 120.400 0.323 0.000 2.118 20 K HA 0.456 4.929 4.320 0.256 0.000 0.267 20 K C -0.581 176.041 176.600 0.038 0.000 0.991 20 K CA -0.946 55.476 56.287 0.225 0.000 0.916 20 K CB 1.077 33.645 32.500 0.114 0.000 1.041 20 K HN 0.196 nan 8.250 nan 0.000 0.455 21 L N 3.140 124.363 121.223 0.001 0.000 2.562 21 L HA 0.130 4.623 4.340 0.256 0.000 0.271 21 L C -2.385 174.202 176.870 -0.471 0.000 1.167 21 L CA -1.069 53.571 54.840 -0.333 0.000 0.917 21 L CB -0.267 41.761 42.059 -0.050 0.000 1.187 21 L HN 0.505 nan 8.230 nan 0.000 0.482 22 P HA 0.216 nan 4.420 nan 0.000 0.271 22 P C -0.995 176.055 177.300 -0.416 0.000 1.216 22 P CA -0.039 62.743 63.100 -0.529 0.000 0.771 22 P CB 0.574 31.891 31.700 -0.638 0.000 0.864 23 I N 3.388 123.776 120.570 -0.304 0.000 2.433 23 I HA 0.350 4.673 4.170 0.256 0.000 0.292 23 I C 0.503 176.511 176.117 -0.183 0.000 1.001 23 I CA -0.730 60.397 61.300 -0.288 0.000 1.119 23 I CB 1.466 39.286 38.000 -0.300 0.000 1.289 23 I HN 0.457 nan 8.210 nan 0.000 0.438 24 N N 4.460 123.071 118.700 -0.149 0.000 3.294 24 N HA 0.475 5.369 4.740 0.256 0.000 0.355 24 N C 0.502 175.977 175.510 -0.060 0.000 1.497 24 N CA -0.357 52.638 53.050 -0.092 0.000 0.707 24 N CB 0.323 38.761 38.487 -0.083 0.000 1.732 24 N HN 0.373 nan 8.380 nan 0.000 0.640 25 A N -0.715 122.082 122.820 -0.039 0.000 2.119 25 A HA 0.172 4.646 4.320 0.256 0.000 0.217 25 A C 1.814 179.391 177.584 -0.012 0.000 1.153 25 A CA 0.710 52.734 52.037 -0.021 0.000 0.692 25 A CB -0.926 18.063 19.000 -0.018 0.000 0.799 25 A HN 0.526 nan 8.150 nan 0.000 0.458 26 L N -1.073 120.139 121.223 -0.018 0.000 2.477 26 L HA -0.001 4.492 4.340 0.256 0.000 0.220 26 L C 2.497 179.398 176.870 0.050 0.000 1.106 26 L CA 0.523 55.368 54.840 0.009 0.000 0.851 26 L CB -0.211 41.834 42.059 -0.024 0.000 0.994 26 L HN 0.235 nan 8.230 nan 0.000 0.462 27 S N 0.729 116.433 115.700 0.007 0.000 2.368 27 S HA -0.202 4.421 4.470 0.256 0.000 0.226 27 S C 1.704 176.364 174.600 0.100 0.000 1.044 27 S CA 1.748 59.951 58.200 0.005 0.000 1.062 27 S CB -0.372 62.741 63.200 -0.145 0.000 0.931 27 S HN 0.478 nan 8.310 nan 0.000 0.440 28 N N 1.449 120.226 118.700 0.127 0.000 2.364 28 N HA -0.060 4.833 4.740 0.256 0.000 0.183 28 N C 1.874 177.412 175.510 0.046 0.000 1.022 28 N CA 1.245 54.370 53.050 0.124 0.000 0.883 28 N CB -0.512 38.028 38.487 0.088 0.000 0.965 28 N HN 0.616 nan 8.380 nan 0.000 0.438 29 S N -0.252 115.473 115.700 0.041 0.000 2.447 29 S HA -0.041 4.583 4.470 0.256 0.000 0.233 29 S C 1.825 176.441 174.600 0.027 0.000 1.006 29 S CA 0.416 58.622 58.200 0.010 0.000 0.957 29 S CB -0.137 63.093 63.200 0.051 0.000 0.773 29 S HN 0.207 nan 8.310 nan 0.000 0.507 30 L N -0.220 121.019 121.223 0.027 0.000 2.286 30 L HA 0.599 5.093 4.340 0.256 0.000 0.203 30 L C 0.093 177.002 176.870 0.064 0.000 1.068 30 L CA 0.792 55.632 54.840 -0.000 0.000 0.811 30 L CB 0.298 42.127 42.059 -0.384 0.000 0.989 30 L HN 0.485 nan 8.230 nan 0.000 0.467 31 L N -1.143 120.115 121.223 0.059 0.000 2.543 31 L HA 0.370 4.864 4.340 0.256 0.000 0.265 31 L C 0.360 177.267 176.870 0.062 0.000 0.945 31 L CA -0.288 54.589 54.840 0.060 0.000 0.869 31 L CB 1.527 43.652 42.059 0.110 0.000 1.294 31 L HN -0.055 nan 8.230 nan 0.000 0.405 32 R N 1.122 121.541 120.500 -0.135 0.000 2.225 32 R HA 0.207 4.700 4.340 0.256 0.000 0.194 32 R C -0.049 176.049 176.300 -0.336 0.000 0.957 32 R CA 0.149 56.073 56.100 -0.292 0.000 1.042 32 R CB 0.230 30.402 30.300 -0.212 0.000 1.004 32 R HN 0.643 nan 8.270 nan 0.000 0.509 33 H N 0.393 119.374 119.070 -0.148 0.000 2.855 33 H HA 0.082 4.792 4.556 0.256 0.000 0.238 33 H C 0.400 175.743 175.328 0.024 0.000 1.847 33 H CA -0.311 55.688 56.048 -0.083 0.000 1.368 33 H CB 0.046 29.804 29.762 -0.007 0.000 1.758 33 H HN 0.334 nan 8.280 nan 0.000 0.546 34 H N 0.517 119.680 119.070 0.154 0.000 2.421 34 H HA -0.122 4.588 4.556 0.255 0.000 0.298 34 H C 1.502 176.907 175.328 0.128 0.000 1.087 34 H CA 0.385 56.499 56.048 0.110 0.000 1.330 34 H CB 0.370 30.170 29.762 0.062 0.000 1.388 34 H HN 0.481 nan 8.280 nan 0.000 0.526 35 N N 0.230 119.061 118.700 0.218 0.000 2.453 35 N HA -0.084 4.809 4.740 0.256 0.000 0.183 35 N C 1.386 177.004 175.510 0.180 0.000 1.041 35 N CA 0.673 53.822 53.050 0.166 0.000 0.900 35 N CB 0.048 38.592 38.487 0.095 0.000 0.961 35 N HN 0.390 nan 8.380 nan 0.000 0.443 36 M N -0.004 119.715 119.600 0.199 0.000 2.492 36 M HA 0.069 4.702 4.480 0.256 0.000 0.262 36 M C 0.046 176.520 176.300 0.290 0.000 1.090 36 M CA 0.428 55.855 55.300 0.212 0.000 1.110 36 M CB -0.031 32.687 32.600 0.197 0.000 1.407 36 M HN -0.248 nan 8.290 nan 0.000 0.470 37 V N 1.535 121.632 119.914 0.306 0.000 2.398 37 V HA 0.322 4.596 4.120 0.256 0.000 0.286 37 V C -0.755 175.598 176.094 0.432 0.000 1.026 37 V CA -0.823 61.670 62.300 0.322 0.000 0.868 37 V CB 0.897 32.892 31.823 0.287 0.000 0.982 37 V HN 0.356 nan 8.190 nan 0.000 0.443 38 Y N 2.792 123.258 120.300 0.277 0.000 2.581 38 Y HA 0.928 5.632 4.550 0.257 0.000 0.345 38 Y C -0.313 175.670 175.900 0.139 0.000 1.036 38 Y CA -1.531 56.740 58.100 0.285 0.000 1.042 38 Y CB 1.578 40.156 38.460 0.197 0.000 1.289 38 Y HN 0.675 nan 8.280 nan 0.000 0.471 39 A N 1.603 124.462 122.820 0.065 0.000 2.324 39 A HA 0.653 5.126 4.320 0.256 0.000 0.330 39 A C 0.046 177.729 177.584 0.165 0.000 1.165 39 A CA -0.306 51.593 52.037 -0.230 0.000 0.813 39 A CB 0.242 18.910 19.000 -0.552 0.000 1.197 39 A HN 1.050 nan 8.150 nan 0.000 0.484 40 T N 0.128 114.770 114.554 0.146 0.000 2.918 40 T HA 0.557 5.060 4.350 0.256 0.000 0.302 40 T C 0.401 175.173 174.700 0.119 0.000 1.045 40 T CA 0.381 62.617 62.100 0.227 0.000 1.114 40 T CB 0.665 69.681 68.868 0.247 0.000 0.965 40 T HN 1.296 nan 8.240 nan 0.000 0.540 41 T N -1.820 112.802 114.554 0.114 0.000 2.804 41 T HA 0.484 4.988 4.350 0.256 0.000 0.290 41 T C 1.387 176.120 174.700 0.056 0.000 1.099 41 T CA -0.275 61.871 62.100 0.078 0.000 1.011 41 T CB 1.088 70.006 68.868 0.083 0.000 1.291 41 T HN 0.689 nan 8.240 nan 0.000 0.523 42 S N -0.299 115.425 115.700 0.041 0.000 2.474 42 S HA -0.089 4.534 4.470 0.256 0.000 0.235 42 S C 1.795 176.398 174.600 0.004 0.000 0.997 42 S CA 0.312 58.523 58.200 0.019 0.000 0.949 42 S CB -0.650 62.559 63.200 0.016 0.000 0.766 42 S HN 0.680 nan 8.310 nan 0.000 0.517 43 R N 1.588 122.098 120.500 0.017 0.000 2.152 43 R HA -0.037 4.456 4.340 0.256 0.000 0.232 43 R C 2.104 178.400 176.300 -0.006 0.000 1.117 43 R CA 1.504 57.608 56.100 0.006 0.000 0.981 43 R CB -0.372 29.940 30.300 0.020 0.000 0.870 43 R HN 0.712 nan 8.270 nan 0.000 0.451 44 S N -0.960 114.741 115.700 0.002 0.000 2.556 44 S HA 0.240 4.864 4.470 0.256 0.000 0.216 44 S C 1.743 176.325 174.600 -0.031 0.000 0.970 44 S CA 0.147 58.341 58.200 -0.010 0.000 0.912 44 S CB 0.891 64.098 63.200 0.012 0.000 0.790 44 S HN 0.267 nan 8.310 nan 0.000 0.504 45 A N 2.400 125.193 122.820 -0.045 0.000 1.883 45 A HA 0.113 4.586 4.320 0.256 0.000 0.217 45 A C 2.338 179.830 177.584 -0.152 0.000 1.186 45 A CA 1.716 53.702 52.037 -0.086 0.000 0.624 45 A CB -1.803 17.141 19.000 -0.093 0.000 0.822 45 A HN 0.663 nan 8.150 nan 0.000 0.444 46 G N -0.204 108.501 108.800 -0.158 0.000 2.503 46 G HA2 -0.242 3.872 3.960 0.256 0.000 0.221 46 G HA3 -0.242 3.872 3.960 0.256 0.000 0.221 46 G C 1.528 176.339 174.900 -0.149 0.000 1.131 46 G CA 1.197 46.181 45.100 -0.194 0.000 0.756 46 G HN 0.469 nan 8.290 nan 0.000 0.572 47 L N -0.406 120.762 121.223 -0.090 0.000 2.141 47 L HA 0.019 4.512 4.340 0.256 0.000 0.209 47 L C 2.871 179.718 176.870 -0.038 0.000 1.094 47 L CA 1.104 55.912 54.840 -0.053 0.000 0.763 47 L CB -0.248 41.791 42.059 -0.034 0.000 0.908 47 L HN 0.156 nan 8.230 nan 0.000 0.437 48 R N 0.390 120.859 120.500 -0.051 0.000 2.073 48 R HA -0.128 4.365 4.340 0.256 0.000 0.229 48 R C 2.203 178.481 176.300 -0.038 0.000 1.120 48 R CA 1.446 57.532 56.100 -0.023 0.000 0.967 48 R CB -0.345 29.943 30.300 -0.020 0.000 0.862 48 R HN 0.327 nan 8.270 nan 0.000 0.436 49 Q N 0.101 119.805 119.800 -0.160 0.000 2.112 49 Q HA -0.184 4.310 4.340 0.256 0.000 0.206 49 Q C 1.949 177.939 176.000 -0.017 0.000 0.987 49 Q CA 2.080 57.738 55.803 -0.242 0.000 0.858 49 Q CB -0.091 28.195 28.738 -0.753 0.000 0.905 49 Q HN 0.320 nan 8.270 nan 0.000 0.420 50 K N 0.451 120.839 120.400 -0.020 0.000 2.097 50 K HA -0.170 4.303 4.320 0.256 0.000 0.205 50 K C 2.033 178.722 176.600 0.149 0.000 1.050 50 K CA 1.113 57.443 56.287 0.073 0.000 0.938 50 K CB -0.018 32.502 32.500 0.032 0.000 0.718 50 K HN -0.055 nan 8.250 nan 0.000 0.442 51 K N 0.926 121.403 120.400 0.129 0.000 2.026 51 K HA -0.127 4.346 4.320 0.256 0.000 0.208 51 K C 1.771 178.574 176.600 0.338 0.000 1.048 51 K CA 1.460 57.857 56.287 0.183 0.000 0.929 51 K CB 0.049 32.624 32.500 0.125 0.000 0.713 51 K HN 0.124 nan 8.250 nan 0.000 0.439 52 V N -2.045 118.048 119.914 0.299 0.000 3.541 52 V HA 0.136 4.409 4.120 0.256 0.000 0.267 52 V C 0.134 176.390 176.094 0.269 0.000 1.213 52 V CA 0.353 62.861 62.300 0.347 0.000 1.149 52 V CB -0.112 31.873 31.823 0.270 0.000 0.822 52 V HN 0.057 nan 8.190 nan 0.000 0.462 53 T N 4.466 119.229 114.554 0.348 0.000 2.738 53 T HA 0.702 5.205 4.350 0.256 0.000 0.298 53 T C -0.736 174.143 174.700 0.299 0.000 0.962 53 T CA -0.004 62.272 62.100 0.294 0.000 0.972 53 T CB 0.181 69.330 68.868 0.468 0.000 0.928 53 T HN 0.632 nan 8.240 nan 0.000 0.474 54 F N -0.375 119.677 119.950 0.170 0.000 2.741 54 F HA 0.611 5.291 4.527 0.254 0.000 0.311 54 F C -1.166 174.682 175.800 0.079 0.000 1.149 54 F CA -1.700 56.366 58.000 0.110 0.000 0.930 54 F CB 0.702 39.758 39.000 0.094 0.000 1.312 54 F HN 0.196 nan 8.300 nan 0.000 0.450 55 D N 1.071 121.663 120.400 0.321 0.000 2.351 55 D HA 0.434 5.228 4.640 0.256 0.000 0.251 55 D C -0.782 175.678 176.300 0.267 0.000 1.137 55 D CA 0.077 54.204 54.000 0.212 0.000 0.879 55 D CB 0.794 41.689 40.800 0.157 0.000 1.181 55 D HN 0.542 nan 8.370 nan 0.000 0.448 56 R N 2.563 123.167 120.500 0.174 0.000 2.393 56 R HA 0.597 5.090 4.340 0.256 0.000 0.310 56 R C -0.898 175.406 176.300 0.007 0.000 0.968 56 R CA -0.621 55.559 56.100 0.132 0.000 0.867 56 R CB 0.949 31.301 30.300 0.085 0.000 1.124 56 R HN 0.321 nan 8.270 nan 0.000 0.450 57 L N 1.684 122.899 121.223 -0.013 0.000 2.342 57 L HA 0.530 5.023 4.340 0.256 0.000 0.271 57 L C -0.537 176.286 176.870 -0.080 0.000 1.008 57 L CA -0.322 54.463 54.840 -0.090 0.000 0.818 57 L CB 1.978 44.000 42.059 -0.062 0.000 1.296 57 L HN 0.505 nan 8.230 nan 0.000 0.427 58 Q N 1.290 121.020 119.800 -0.117 0.000 2.275 58 Q HA 0.610 5.103 4.340 0.256 0.000 0.258 58 Q C -1.915 174.023 176.000 -0.102 0.000 0.960 58 Q CA -0.365 55.382 55.803 -0.093 0.000 0.801 58 Q CB 2.425 31.094 28.738 -0.115 0.000 1.302 58 Q HN 0.430 nan 8.270 nan 0.000 0.433 59 V N 5.562 125.436 119.914 -0.067 0.000 2.334 59 V HA 0.428 4.702 4.120 0.256 0.000 0.281 59 V C -0.513 175.567 176.094 -0.023 0.000 1.016 59 V CA -0.515 61.748 62.300 -0.062 0.000 0.832 59 V CB 1.270 33.055 31.823 -0.062 0.000 0.999 59 V HN 0.679 nan 8.190 nan 0.000 0.439 60 L N 5.874 127.038 121.223 -0.098 0.000 2.287 60 L HA 0.567 5.061 4.340 0.256 0.000 0.287 60 L C 0.079 176.938 176.870 -0.018 0.000 1.022 60 L CA -0.567 54.167 54.840 -0.177 0.000 0.814 60 L CB 1.407 43.164 42.059 -0.503 0.000 1.217 60 L HN 0.690 nan 8.230 nan 0.000 0.420 61 D N 0.679 121.154 120.400 0.125 0.000 2.567 61 D HA 0.110 4.904 4.640 0.256 0.000 0.275 61 D C 0.230 176.595 176.300 0.108 0.000 1.195 61 D CA -0.529 53.533 54.000 0.104 0.000 1.087 61 D CB 0.831 41.704 40.800 0.121 0.000 1.165 61 D HN 0.323 nan 8.370 nan 0.000 0.609 62 D N -1.557 118.856 120.400 0.020 0.000 2.234 62 D HA -0.105 4.688 4.640 0.256 0.000 0.205 62 D C 1.768 178.087 176.300 0.031 0.000 0.962 62 D CA 0.707 54.703 54.000 -0.007 0.000 0.855 62 D CB 0.017 40.767 40.800 -0.083 0.000 0.951 62 D HN 0.377 nan 8.370 nan 0.000 0.500 63 H N 0.326 119.461 119.070 0.108 0.000 2.290 63 H HA -0.178 4.531 4.556 0.256 0.000 0.298 63 H C 2.004 177.372 175.328 0.067 0.000 1.087 63 H CA 1.067 57.171 56.048 0.094 0.000 1.291 63 H CB -0.872 28.970 29.762 0.132 0.000 1.369 63 H HN 0.309 nan 8.280 nan 0.000 0.492 64 Y N 1.782 122.123 120.300 0.069 0.000 2.102 64 Y HA -0.296 4.408 4.550 0.257 0.000 0.280 64 Y C 2.733 178.585 175.900 -0.080 0.000 1.178 64 Y CA 1.964 59.977 58.100 -0.145 0.000 1.146 64 Y CB -0.074 38.192 38.460 -0.324 0.000 0.968 64 Y HN 0.007 nan 8.280 nan 0.000 0.504 65 R N -0.193 120.401 120.500 0.156 0.000 2.115 65 R HA -0.119 4.374 4.340 0.256 0.000 0.226 65 R C 1.697 177.992 176.300 -0.009 0.000 1.100 65 R CA 1.210 57.348 56.100 0.064 0.000 0.980 65 R CB -0.228 30.133 30.300 0.103 0.000 0.875 65 R HN 0.398 nan 8.270 nan 0.000 0.445 66 D N 0.113 120.524 120.400 0.017 0.000 2.097 66 D HA -0.123 4.671 4.640 0.256 0.000 0.195 66 D C 1.905 178.196 176.300 -0.015 0.000 0.989 66 D CA 1.021 55.032 54.000 0.018 0.000 0.827 66 D CB -0.131 40.709 40.800 0.068 0.000 0.966 66 D HN -0.034 nan 8.370 nan 0.000 0.456 67 V N 0.887 120.769 119.914 -0.054 0.000 2.307 67 V HA -0.187 4.087 4.120 0.256 0.000 0.245 67 V C 2.420 178.449 176.094 -0.108 0.000 1.045 67 V CA 1.005 63.255 62.300 -0.083 0.000 1.024 67 V CB -0.422 31.315 31.823 -0.142 0.000 0.651 67 V HN 0.143 nan 8.190 nan 0.000 0.449 68 L N 0.794 121.891 121.223 -0.209 0.000 2.012 68 L HA -0.214 4.279 4.340 0.256 0.000 0.210 68 L C 2.450 179.263 176.870 -0.095 0.000 1.073 68 L CA 2.504 57.225 54.840 -0.199 0.000 0.748 68 L CB -0.871 41.015 42.059 -0.288 0.000 0.891 68 L HN 0.322 nan 8.230 nan 0.000 0.431 69 K N -0.503 119.858 120.400 -0.065 0.000 2.063 69 K HA -0.232 4.242 4.320 0.256 0.000 0.208 69 K C 1.929 178.516 176.600 -0.021 0.000 1.048 69 K CA 2.000 58.267 56.287 -0.033 0.000 0.928 69 K CB -0.181 32.309 32.500 -0.017 0.000 0.713 69 K HN 0.547 nan 8.250 nan 0.000 0.442 70 E N 0.131 120.322 120.200 -0.015 0.000 2.077 70 E HA -0.185 4.318 4.350 0.256 0.000 0.193 70 E C 2.091 178.691 176.600 0.000 0.000 0.989 70 E CA 1.620 58.022 56.400 0.002 0.000 0.800 70 E CB -0.084 29.627 29.700 0.020 0.000 0.746 70 E HN 0.379 nan 8.360 nan 0.000 0.452 71 M N 0.555 120.152 119.600 -0.005 0.000 2.117 71 M HA -0.166 4.468 4.480 0.256 0.000 0.262 71 M C 2.122 178.399 176.300 -0.039 0.000 1.065 71 M CA 1.437 56.726 55.300 -0.018 0.000 1.114 71 M CB -0.104 32.485 32.600 -0.019 0.000 1.361 71 M HN -0.064 nan 8.290 nan 0.000 0.408 72 K N 0.244 120.621 120.400 -0.039 0.000 2.097 72 K HA -0.074 4.399 4.320 0.256 0.000 0.206 72 K C 2.111 178.697 176.600 -0.024 0.000 1.049 72 K CA 1.333 57.599 56.287 -0.034 0.000 0.933 72 K CB -0.232 32.248 32.500 -0.034 0.000 0.717 72 K HN 0.299 nan 8.250 nan 0.000 0.442 73 A N 1.981 124.789 122.820 -0.019 0.000 1.902 73 A HA -0.196 4.277 4.320 0.256 0.000 0.217 73 A C 1.882 179.456 177.584 -0.017 0.000 1.181 73 A CA 1.494 53.523 52.037 -0.013 0.000 0.623 73 A CB -0.249 18.747 19.000 -0.007 0.000 0.818 73 A HN 0.183 nan 8.150 nan 0.000 0.443 74 K N -0.326 120.060 120.400 -0.023 0.000 2.057 74 K HA -0.030 4.443 4.320 0.256 0.000 0.206 74 K C 2.284 178.861 176.600 -0.040 0.000 1.050 74 K CA 1.057 57.324 56.287 -0.034 0.000 0.935 74 K CB -0.355 32.116 32.500 -0.047 0.000 0.715 74 K HN 0.420 nan 8.250 nan 0.000 0.439 75 A N 1.158 123.953 122.820 -0.040 0.000 2.024 75 A HA -0.161 4.313 4.320 0.256 0.000 0.220 75 A C 2.156 179.731 177.584 -0.016 0.000 1.164 75 A CA 1.713 53.731 52.037 -0.031 0.000 0.643 75 A CB -0.503 18.483 19.000 -0.024 0.000 0.806 75 A HN 0.164 nan 8.150 nan 0.000 0.451 76 S N -0.586 115.106 115.700 -0.013 0.000 2.474 76 S HA -0.093 4.530 4.470 0.256 0.000 0.235 76 S C 1.963 176.559 174.600 -0.008 0.000 0.997 76 S CA 1.577 59.773 58.200 -0.006 0.000 0.949 76 S CB -0.446 62.751 63.200 -0.005 0.000 0.766 76 S HN 0.909 nan 8.310 nan 0.000 0.517 77 T N -0.879 113.666 114.554 -0.014 0.000 3.148 77 T HA 0.172 4.676 4.350 0.256 0.000 0.253 77 T C 0.449 175.139 174.700 -0.018 0.000 1.134 77 T CA -0.064 62.027 62.100 -0.015 0.000 1.051 77 T CB -0.246 68.611 68.868 -0.019 0.000 0.959 77 T HN 0.007 nan 8.240 nan 0.000 0.525 78 V N 2.017 121.920 119.914 -0.019 0.000 2.461 78 V HA 0.374 4.647 4.120 0.256 0.000 0.275 78 V C 0.137 176.225 176.094 -0.009 0.000 1.047 78 V CA -0.883 61.404 62.300 -0.022 0.000 0.955 78 V CB 0.986 32.791 31.823 -0.030 0.000 0.988 78 V HN 0.379 nan 8.190 nan 0.000 0.471 79 K N 4.121 124.515 120.400 -0.009 0.000 2.293 79 K HA 0.735 5.208 4.320 0.256 0.000 0.267 79 K C -0.429 176.170 176.600 -0.002 0.000 1.010 79 K CA -0.313 55.974 56.287 -0.001 0.000 0.875 79 K CB 1.226 33.727 32.500 0.001 0.000 1.106 79 K HN 0.831 nan 8.250 nan 0.000 0.450 80 A N 4.170 126.993 122.820 0.005 0.000 2.355 80 A HA 0.565 5.038 4.320 0.256 0.000 0.324 80 A C -1.028 176.568 177.584 0.021 0.000 1.117 80 A CA -0.878 51.162 52.037 0.005 0.000 0.785 80 A CB 1.079 20.078 19.000 -0.002 0.000 1.254 80 A HN 0.610 nan 8.150 nan 0.000 0.453 81 K N 0.834 121.249 120.400 0.025 0.000 2.123 81 K HA 0.436 4.909 4.320 0.256 0.000 0.259 81 K C -1.171 175.454 176.600 0.042 0.000 0.960 81 K CA -0.826 55.480 56.287 0.032 0.000 0.872 81 K CB 1.862 34.378 32.500 0.027 0.000 1.079 81 K HN 0.523 nan 8.250 nan 0.000 0.440 82 L N 3.340 124.585 121.223 0.037 0.000 2.319 82 L HA 0.165 4.658 4.340 0.256 0.000 0.280 82 L C -0.478 176.377 176.870 -0.024 0.000 1.099 82 L CA -0.324 54.530 54.840 0.024 0.000 0.828 82 L CB 0.219 42.301 42.059 0.038 0.000 1.150 82 L HN 0.375 nan 8.230 nan 0.000 0.442 83 L N 3.332 124.524 121.223 -0.052 0.000 2.436 83 L HA 0.344 4.837 4.340 0.256 0.000 0.265 83 L C 0.754 177.515 176.870 -0.182 0.000 1.168 83 L CA 0.355 55.140 54.840 -0.092 0.000 0.815 83 L CB 1.082 43.088 42.059 -0.089 0.000 1.109 83 L HN 0.858 nan 8.230 nan 0.000 0.462 84 S N 0.961 116.564 115.700 -0.162 0.000 2.634 84 S HA 0.238 4.861 4.470 0.256 0.000 0.261 84 S C 1.277 175.719 174.600 -0.263 0.000 1.271 84 S CA -0.646 57.432 58.200 -0.203 0.000 0.985 84 S CB 0.718 63.840 63.200 -0.130 0.000 0.968 84 S HN 0.318 nan 8.310 nan 0.000 0.568 85 V N 1.393 121.119 119.914 -0.313 0.000 2.343 85 V HA -0.153 4.120 4.120 0.256 0.000 0.247 85 V C 2.599 178.558 176.094 -0.225 0.000 1.051 85 V CA 2.318 64.412 62.300 -0.344 0.000 1.036 85 V CB -1.387 30.148 31.823 -0.481 0.000 0.654 85 V HN 0.835 nan 8.190 nan 0.000 0.451 86 E N 0.227 120.327 120.200 -0.167 0.000 2.051 86 E HA -0.192 4.312 4.350 0.256 0.000 0.192 86 E C 2.214 178.738 176.600 -0.126 0.000 0.991 86 E CA 1.370 57.696 56.400 -0.124 0.000 0.799 86 E CB -0.298 29.349 29.700 -0.089 0.000 0.748 86 E HN 0.656 nan 8.360 nan 0.000 0.449 87 E N 0.240 120.362 120.200 -0.130 0.000 2.085 87 E HA -0.209 4.295 4.350 0.256 0.000 0.194 87 E C 2.043 178.534 176.600 -0.181 0.000 0.994 87 E CA 1.069 57.388 56.400 -0.136 0.000 0.801 87 E CB -0.191 29.438 29.700 -0.119 0.000 0.743 87 E HN 0.283 nan 8.360 nan 0.000 0.453 88 A N 0.634 123.337 122.820 -0.194 0.000 1.902 88 A HA -0.193 4.280 4.320 0.256 0.000 0.217 88 A C 2.414 179.888 177.584 -0.184 0.000 1.181 88 A CA 1.168 53.080 52.037 -0.208 0.000 0.623 88 A CB -0.825 18.058 19.000 -0.197 0.000 0.818 88 A HN 0.372 nan 8.150 nan 0.000 0.443 89 C N -0.401 118.804 119.300 -0.159 0.000 2.413 89 C HA -0.094 4.520 4.460 0.256 0.000 0.277 89 C C 2.551 177.462 174.990 -0.131 0.000 1.265 89 C CA 1.412 60.352 59.018 -0.132 0.000 1.752 89 C CB -1.076 26.590 27.740 -0.122 0.000 1.998 89 C HN 0.618 nan 8.230 nan 0.000 0.489 90 K N 0.578 120.902 120.400 -0.128 0.000 2.439 90 K HA 0.056 4.530 4.320 0.256 0.000 0.197 90 K C 1.327 177.869 176.600 -0.095 0.000 1.041 90 K CA 0.687 56.913 56.287 -0.100 0.000 0.970 90 K CB -0.122 32.333 32.500 -0.075 0.000 0.773 90 K HN 0.513 nan 8.250 nan 0.000 0.479 91 L N 0.797 121.916 121.223 -0.175 0.000 2.591 91 L HA 0.018 4.512 4.340 0.256 0.000 0.228 91 L C 0.288 177.050 176.870 -0.180 0.000 1.133 91 L CA 0.220 54.919 54.840 -0.234 0.000 0.880 91 L CB -0.012 41.784 42.059 -0.437 0.000 1.033 91 L HN -0.008 nan 8.230 nan 0.000 0.450 92 T N 1.651 116.109 114.554 -0.159 0.000 2.780 92 T HA 0.224 4.727 4.350 0.256 0.000 0.294 92 T C -2.313 172.235 174.700 -0.255 0.000 0.949 92 T CA -1.187 60.814 62.100 -0.165 0.000 1.074 92 T CB 1.076 69.865 68.868 -0.131 0.000 0.910 92 T HN -0.155 nan 8.240 nan 0.000 0.501 93 P HA 0.089 nan 4.420 nan 0.000 0.264 93 P C -1.880 175.142 177.300 -0.462 0.000 1.183 93 P CA -1.166 61.716 63.100 -0.364 0.000 0.763 93 P CB 0.155 31.761 31.700 -0.157 0.000 0.807 94 P HA -0.153 nan 4.420 nan 0.000 0.219 94 P C 0.459 177.367 177.300 -0.653 0.000 1.146 94 P CA 1.698 64.376 63.100 -0.703 0.000 0.808 94 P CB -0.065 31.103 31.700 -0.887 0.000 0.779 95 H N -2.291 116.678 119.070 -0.169 0.000 2.475 95 H HA 0.290 4.999 4.556 0.255 0.000 0.276 95 H C 0.387 175.649 175.328 -0.111 0.000 1.126 95 H CA -0.274 55.706 56.048 -0.112 0.000 1.023 95 H CB 0.079 29.790 29.762 -0.084 0.000 1.669 95 H HN 0.043 nan 8.280 nan 0.000 0.573 96 S N 1.092 116.748 115.700 -0.074 0.000 2.585 96 S HA 0.412 5.036 4.470 0.256 0.000 0.273 96 S C 0.711 175.267 174.600 -0.074 0.000 1.339 96 S CA -0.475 57.670 58.200 -0.092 0.000 1.028 96 S CB 0.618 63.752 63.200 -0.110 0.000 0.906 96 S HN 0.497 nan 8.310 nan 0.000 0.528 97 A N 4.169 126.925 122.820 -0.107 0.000 2.546 97 A HA 0.272 4.745 4.320 0.256 0.000 0.243 97 A C 0.615 178.185 177.584 -0.023 0.000 1.063 97 A CA -0.220 51.780 52.037 -0.062 0.000 0.757 97 A CB -0.232 18.717 19.000 -0.086 0.000 0.991 97 A HN 0.892 nan 8.150 nan 0.000 0.503 98 K N 2.154 122.538 120.400 -0.026 0.000 2.230 98 K HA 0.315 4.788 4.320 0.256 0.000 0.253 98 K C 0.364 176.894 176.600 -0.117 0.000 1.008 98 K CA -0.086 56.159 56.287 -0.070 0.000 0.910 98 K CB 0.350 32.810 32.500 -0.068 0.000 0.994 98 K HN 0.413 nan 8.250 nan 0.000 0.495 99 S N 0.035 115.560 115.700 -0.292 0.000 2.579 99 S HA 0.038 4.662 4.470 0.256 0.000 0.275 99 S C 0.651 175.072 174.600 -0.298 0.000 1.345 99 S CA -0.483 57.500 58.200 -0.361 0.000 1.031 99 S CB 0.555 63.165 63.200 -0.984 0.000 0.892 99 S HN 0.658 nan 8.310 nan 0.000 0.529 100 K N 2.011 122.216 120.400 -0.325 0.000 2.504 100 K HA 0.008 4.481 4.320 0.256 0.000 0.195 100 K C -0.089 176.091 176.600 -0.700 0.000 1.036 100 K CA 0.971 56.931 56.287 -0.544 0.000 0.984 100 K CB -0.077 31.980 32.500 -0.739 0.000 0.788 100 K HN 0.582 nan 8.250 nan 0.000 0.488 101 F N -0.109 119.659 119.950 -0.304 0.000 2.750 101 F HA 0.268 4.948 4.527 0.255 0.000 0.297 101 F C 1.058 176.740 175.800 -0.196 0.000 1.138 101 F CA -0.348 57.472 58.000 -0.299 0.000 1.346 101 F CB 0.973 39.642 39.000 -0.552 0.000 0.965 101 F HN 0.047 nan 8.300 nan 0.000 0.514 102 G N 0.314 109.065 108.800 -0.081 0.000 2.141 102 G HA2 -0.277 3.836 3.960 0.256 0.000 0.231 102 G HA3 -0.277 3.836 3.960 0.256 0.000 0.231 102 G C -0.312 174.659 174.900 0.118 0.000 0.984 102 G CA 0.076 45.191 45.100 0.025 0.000 0.660 102 G HN 0.525 nan 8.290 nan 0.000 0.525 103 Y N -1.757 118.545 120.300 0.003 0.000 2.588 103 Y HA 0.802 5.504 4.550 0.255 0.000 0.343 103 Y C 0.368 176.274 175.900 0.011 0.000 1.065 103 Y CA -1.147 56.957 58.100 0.008 0.000 1.038 103 Y CB 0.846 39.316 38.460 0.017 0.000 1.297 103 Y HN 0.599 nan 8.280 nan 0.000 0.467 104 G N -0.053 108.839 108.800 0.153 0.000 2.932 104 G HA2 0.533 4.647 3.960 0.256 0.000 0.283 104 G HA3 0.533 4.647 3.960 0.256 0.000 0.283 104 G C 0.199 175.164 174.900 0.108 0.000 1.336 104 G CA -0.797 44.338 45.100 0.058 0.000 1.056 104 G HN 1.156 nan 8.290 nan 0.000 0.522 105 A N -0.442 122.390 122.820 0.021 0.000 1.933 105 A HA 0.006 4.479 4.320 0.256 0.000 0.218 105 A C 2.193 179.737 177.584 -0.066 0.000 1.175 105 A CA 1.755 53.777 52.037 -0.025 0.000 0.628 105 A CB -0.366 18.579 19.000 -0.091 0.000 0.814 105 A HN 0.555 nan 8.150 nan 0.000 0.444 106 K N -0.200 120.159 120.400 -0.069 0.000 2.057 106 K HA -0.158 4.316 4.320 0.256 0.000 0.207 106 K C 1.409 177.983 176.600 -0.042 0.000 1.049 106 K CA 1.485 57.723 56.287 -0.082 0.000 0.931 106 K CB -0.305 32.156 32.500 -0.065 0.000 0.714 106 K HN 0.498 nan 8.250 nan 0.000 0.440 107 D N 0.611 121.018 120.400 0.011 0.000 2.117 107 D HA -0.130 4.664 4.640 0.256 0.000 0.197 107 D C 2.035 178.326 176.300 -0.015 0.000 0.987 107 D CA 0.949 54.962 54.000 0.022 0.000 0.829 107 D CB -0.151 40.710 40.800 0.102 0.000 0.961 107 D HN -0.045 nan 8.370 nan 0.000 0.460 108 V N 1.453 121.375 119.914 0.013 0.000 2.295 108 V HA -0.227 4.046 4.120 0.256 0.000 0.246 108 V C 2.513 178.563 176.094 -0.073 0.000 1.049 108 V CA 1.558 63.840 62.300 -0.030 0.000 1.024 108 V CB -0.371 31.469 31.823 0.029 0.000 0.648 108 V HN 0.135 nan 8.190 nan 0.000 0.447 109 R N 0.406 120.854 120.500 -0.088 0.000 2.115 109 R HA -0.082 4.411 4.340 0.256 0.000 0.230 109 R C 1.781 178.029 176.300 -0.087 0.000 1.111 109 R CA 1.311 57.345 56.100 -0.110 0.000 0.976 109 R CB -0.389 29.817 30.300 -0.157 0.000 0.870 109 R HN 0.521 nan 8.270 nan 0.000 0.445 110 N N 1.050 119.706 118.700 -0.073 0.000 2.461 110 N HA 0.029 4.923 4.740 0.256 0.000 0.188 110 N C 0.290 175.766 175.510 -0.057 0.000 1.134 110 N CA 0.348 53.364 53.050 -0.058 0.000 0.878 110 N CB 0.174 38.633 38.487 -0.047 0.000 0.972 110 N HN 0.162 nan 8.380 nan 0.000 0.456 111 L N 0.661 121.843 121.223 -0.069 0.000 3.717 111 L HA -0.222 4.271 4.340 0.256 0.000 0.414 111 L C 0.162 176.991 176.870 -0.068 0.000 1.228 111 L CA -0.008 54.788 54.840 -0.073 0.000 0.918 111 L CB -2.536 39.485 42.059 -0.063 0.000 1.865 111 L HN 0.156 nan 8.230 nan 0.000 0.922 112 S N -1.062 114.595 115.700 -0.072 0.000 2.560 112 S HA 0.241 4.865 4.470 0.256 0.000 0.284 112 S C 1.515 176.068 174.600 -0.079 0.000 1.327 112 S CA -0.074 58.089 58.200 -0.062 0.000 1.055 112 S CB 1.708 64.879 63.200 -0.048 0.000 0.868 112 S HN 0.508 nan 8.310 nan 0.000 0.506 113 S N 2.622 118.290 115.700 -0.053 0.000 2.400 113 S HA -0.212 4.412 4.470 0.256 0.000 0.232 113 S C 1.653 176.217 174.600 -0.060 0.000 1.025 113 S CA 1.173 59.346 58.200 -0.044 0.000 0.993 113 S CB -0.539 62.646 63.200 -0.026 0.000 0.808 113 S HN 0.824 nan 8.310 nan 0.000 0.478 114 K N 1.411 121.768 120.400 -0.071 0.000 2.097 114 K HA 0.060 4.533 4.320 0.256 0.000 0.205 114 K C 2.331 178.778 176.600 -0.255 0.000 1.050 114 K CA 1.058 57.296 56.287 -0.081 0.000 0.938 114 K CB -0.527 31.962 32.500 -0.019 0.000 0.718 114 K HN 0.475 nan 8.250 nan 0.000 0.442 115 A N 0.649 123.214 122.820 -0.425 0.000 1.854 115 A HA -0.075 4.398 4.320 0.256 0.000 0.214 115 A C 2.213 179.520 177.584 -0.462 0.000 1.192 115 A CA 1.296 52.800 52.037 -0.888 0.000 0.611 115 A CB -0.598 18.014 19.000 -0.646 0.000 0.832 115 A HN 0.130 nan 8.150 nan 0.000 0.442 116 V N 1.332 121.105 119.914 -0.233 0.000 2.407 116 V HA -0.257 4.016 4.120 0.256 0.000 0.248 116 V C 2.214 178.318 176.094 0.017 0.000 1.055 116 V CA 2.083 64.314 62.300 -0.114 0.000 1.049 116 V CB -1.055 30.739 31.823 -0.049 0.000 0.662 116 V HN 0.538 nan 8.190 nan 0.000 0.455 117 N N -0.556 118.151 118.700 0.012 0.000 2.120 117 N HA -0.173 4.721 4.740 0.256 0.000 0.188 117 N C 1.872 177.426 175.510 0.073 0.000 1.024 117 N CA 1.543 54.632 53.050 0.066 0.000 0.852 117 N CB -0.541 37.965 38.487 0.032 0.000 1.003 117 N HN 0.645 nan 8.380 nan 0.000 0.424 118 H N 0.704 119.730 119.070 -0.074 0.000 2.363 118 H HA 0.093 4.803 4.556 0.255 0.000 0.301 118 H C 2.079 177.397 175.328 -0.016 0.000 1.074 118 H CA 0.815 56.842 56.048 -0.035 0.000 1.354 118 H CB 0.058 29.848 29.762 0.047 0.000 1.397 118 H HN 0.086 nan 8.280 nan 0.000 0.516 119 I N 0.437 120.936 120.570 -0.119 0.000 2.118 119 I HA -0.339 3.984 4.170 0.256 0.000 0.241 119 I C 2.379 178.419 176.117 -0.128 0.000 1.070 119 I CA 1.711 62.922 61.300 -0.148 0.000 1.327 119 I CB -0.486 37.414 38.000 -0.167 0.000 1.034 119 I HN 0.340 nan 8.210 nan 0.000 0.405 120 H N -0.089 118.940 119.070 -0.068 0.000 2.390 120 H HA -0.186 4.524 4.556 0.256 0.000 0.298 120 H C 2.501 177.840 175.328 0.018 0.000 1.106 120 H CA 1.908 57.951 56.048 -0.008 0.000 1.297 120 H CB -0.020 29.724 29.762 -0.030 0.000 1.375 120 H HN 0.419 nan 8.280 nan 0.000 0.509 121 S N -0.321 115.402 115.700 0.038 0.000 2.414 121 S HA -0.087 4.536 4.470 0.256 0.000 0.227 121 S C 2.216 176.752 174.600 -0.106 0.000 1.022 121 S CA 0.942 59.119 58.200 -0.038 0.000 0.958 121 S CB -0.477 62.680 63.200 -0.072 0.000 0.797 121 S HN 0.161 nan 8.310 nan 0.000 0.493 122 V N 0.763 120.556 119.914 -0.201 0.000 2.427 122 V HA -0.096 4.177 4.120 0.256 0.000 0.248 122 V C 2.212 178.304 176.094 -0.004 0.000 1.051 122 V CA 1.648 63.852 62.300 -0.159 0.000 1.048 122 V CB -1.047 30.656 31.823 -0.200 0.000 0.666 122 V HN 0.694 nan 8.190 nan 0.000 0.456 123 W N 1.339 122.565 121.300 -0.122 0.000 2.355 123 W HA -0.220 4.593 4.660 0.255 0.000 0.309 123 W C 2.528 179.019 176.519 -0.047 0.000 1.206 123 W CA 2.214 59.515 57.345 -0.074 0.000 1.284 123 W CB -0.109 29.313 29.460 -0.063 0.000 1.145 123 W HN 0.213 nan 8.180 nan 0.000 0.502 124 K N 0.500 120.944 120.400 0.073 0.000 2.063 124 K HA -0.279 4.194 4.320 0.256 0.000 0.208 124 K C 1.740 178.275 176.600 -0.108 0.000 1.048 124 K CA 2.294 58.566 56.287 -0.025 0.000 0.928 124 K CB -0.590 31.933 32.500 0.039 0.000 0.713 124 K HN 0.007 nan 8.250 nan 0.000 0.442 125 D N 0.222 120.565 120.400 -0.095 0.000 2.117 125 D HA -0.155 4.638 4.640 0.256 0.000 0.197 125 D C 1.914 178.126 176.300 -0.146 0.000 0.987 125 D CA 1.078 55.016 54.000 -0.104 0.000 0.829 125 D CB 0.047 40.792 40.800 -0.091 0.000 0.961 125 D HN 0.211 nan 8.370 nan 0.000 0.460 126 L N -0.168 120.929 121.223 -0.210 0.000 2.083 126 L HA -0.119 4.374 4.340 0.256 0.000 0.209 126 L C 2.483 179.170 176.870 -0.305 0.000 1.083 126 L CA 0.610 55.289 54.840 -0.269 0.000 0.752 126 L CB -0.343 41.498 42.059 -0.365 0.000 0.899 126 L HN 0.201 nan 8.230 nan 0.000 0.433 127 L N -0.718 120.282 121.223 -0.372 0.000 2.093 127 L HA -0.174 4.319 4.340 0.256 0.000 0.208 127 L C 2.237 179.003 176.870 -0.172 0.000 1.085 127 L CA 1.277 55.936 54.840 -0.302 0.000 0.755 127 L CB -0.407 41.466 42.059 -0.309 0.000 0.904 127 L HN 0.284 nan 8.230 nan 0.000 0.435 128 E N -1.100 119.016 120.200 -0.140 0.000 2.318 128 E HA -0.058 4.445 4.350 0.256 0.000 0.193 128 E C 0.152 176.706 176.600 -0.077 0.000 0.998 128 E CA 0.175 56.521 56.400 -0.090 0.000 0.859 128 E CB 0.379 30.038 29.700 -0.069 0.000 0.812 128 E HN 0.191 nan 8.360 nan 0.000 0.492 129 D N 0.039 120.385 120.400 -0.090 0.000 2.620 129 D HA 0.040 4.833 4.640 0.256 0.000 0.252 129 D C -0.132 176.119 176.300 -0.081 0.000 1.207 129 D CA -0.323 53.634 54.000 -0.071 0.000 0.884 129 D CB 1.472 42.236 40.800 -0.061 0.000 1.262 129 D HN -0.047 nan 8.370 nan 0.000 0.552 130 T N 0.367 114.881 114.554 -0.066 0.000 3.174 130 T HA 0.249 4.752 4.350 0.256 0.000 0.269 130 T C 0.957 175.628 174.700 -0.048 0.000 1.017 130 T CA -0.058 62.002 62.100 -0.066 0.000 0.899 130 T CB 0.192 69.024 68.868 -0.059 0.000 1.077 130 T HN 0.134 nan 8.240 nan 0.000 0.552 131 V N 0.061 119.951 119.914 -0.040 0.000 3.137 131 V HA 0.197 4.471 4.120 0.256 0.000 0.236 131 V C 0.979 177.063 176.094 -0.016 0.000 1.260 131 V CA 0.224 62.510 62.300 -0.025 0.000 1.244 131 V CB 0.070 31.881 31.823 -0.020 0.000 1.016 131 V HN 0.450 nan 8.190 nan 0.000 0.477 132 T N 3.977 118.519 114.554 -0.019 0.000 2.784 132 T HA 0.217 4.720 4.350 0.256 0.000 0.291 132 T C -2.430 172.268 174.700 -0.003 0.000 0.942 132 T CA -0.600 61.497 62.100 -0.005 0.000 1.161 132 T CB 0.673 69.537 68.868 -0.007 0.000 0.885 132 T HN 0.161 nan 8.240 nan 0.000 0.534 133 P HA 0.099 nan 4.420 nan 0.000 0.264 133 P C -0.175 177.124 177.300 -0.001 0.000 1.183 133 P CA 0.017 63.129 63.100 0.020 0.000 0.763 133 P CB 0.349 32.100 31.700 0.086 0.000 0.807 134 I N 2.372 122.925 120.570 -0.029 0.000 2.396 134 I HA 0.130 4.453 4.170 0.256 0.000 0.292 134 I C 0.899 177.002 176.117 -0.024 0.000 0.999 134 I CA -0.292 60.996 61.300 -0.020 0.000 1.310 134 I CB 0.791 38.769 38.000 -0.038 0.000 1.404 134 I HN 0.329 nan 8.210 nan 0.000 0.496 135 D N 4.061 124.465 120.400 0.005 0.000 2.382 135 D HA 0.226 5.019 4.640 0.256 0.000 0.245 135 D C -0.454 175.821 176.300 -0.041 0.000 1.120 135 D CA 0.162 54.155 54.000 -0.012 0.000 0.890 135 D CB 0.770 41.580 40.800 0.018 0.000 1.201 135 D HN 0.591 nan 8.370 nan 0.000 0.433 136 T N -0.416 114.084 114.554 -0.089 0.000 2.906 136 T HA 0.563 5.066 4.350 0.256 0.000 0.295 136 T C -0.378 174.184 174.700 -0.230 0.000 1.061 136 T CA -0.994 61.016 62.100 -0.150 0.000 1.000 136 T CB 1.555 70.355 68.868 -0.113 0.000 1.103 136 T HN 0.217 nan 8.240 nan 0.000 0.486 137 T N 2.760 117.032 114.554 -0.470 0.000 2.799 137 T HA 0.543 5.047 4.350 0.256 0.000 0.286 137 T C -0.204 174.227 174.700 -0.449 0.000 0.973 137 T CA -0.614 61.163 62.100 -0.539 0.000 1.035 137 T CB 0.619 68.952 68.868 -0.892 0.000 0.932 137 T HN 0.722 nan 8.240 nan 0.000 0.469 138 I N 4.250 124.718 120.570 -0.169 0.000 2.354 138 I HA 0.492 4.815 4.170 0.256 0.000 0.292 138 I C -0.916 175.220 176.117 0.032 0.000 0.989 138 I CA -0.790 60.498 61.300 -0.021 0.000 1.188 138 I CB 0.657 38.701 38.000 0.073 0.000 1.342 138 I HN 0.400 nan 8.210 nan 0.000 0.457 139 M N 6.289 125.958 119.600 0.115 0.000 2.572 139 M HA 0.486 5.120 4.480 0.256 0.000 0.299 139 M C -0.560 175.806 176.300 0.110 0.000 1.205 139 M CA -0.612 54.770 55.300 0.136 0.000 0.876 139 M CB 1.895 34.642 32.600 0.246 0.000 1.728 139 M HN 0.595 nan 8.290 nan 0.000 0.458 140 A N 2.454 125.319 122.820 0.075 0.000 2.320 140 A HA 0.457 4.930 4.320 0.256 0.000 0.287 140 A C -0.039 177.587 177.584 0.069 0.000 1.181 140 A CA -0.455 51.620 52.037 0.062 0.000 0.831 140 A CB 0.178 19.201 19.000 0.038 0.000 1.102 140 A HN 0.758 nan 8.150 nan 0.000 0.513 141 K N 2.042 122.485 120.400 0.073 0.000 2.382 141 K HA 0.075 4.548 4.320 0.256 0.000 0.275 141 K C -0.571 176.046 176.600 0.028 0.000 1.009 141 K CA 0.201 56.518 56.287 0.050 0.000 0.970 141 K CB 0.455 32.989 32.500 0.058 0.000 0.934 141 K HN 0.769 nan 8.250 nan 0.000 0.479 142 N N 2.542 121.231 118.700 -0.017 0.000 2.462 142 N HA 0.107 5.001 4.740 0.256 0.000 0.242 142 N C -1.182 174.219 175.510 -0.181 0.000 1.010 142 N CA -0.256 52.751 53.050 -0.071 0.000 0.939 142 N CB 0.981 39.428 38.487 -0.067 0.000 1.127 142 N HN 0.381 nan 8.380 nan 0.000 0.509 143 E N 1.076 121.152 120.200 -0.208 0.000 2.293 143 E HA 0.405 4.909 4.350 0.256 0.000 0.270 143 E C -1.016 175.184 176.600 -0.666 0.000 0.879 143 E CA -0.905 55.255 56.400 -0.400 0.000 0.756 143 E CB 2.530 32.079 29.700 -0.252 0.000 1.208 143 E HN 0.123 nan 8.360 nan 0.000 0.428 144 V N 3.549 122.904 119.914 -0.933 0.000 2.427 144 V HA 0.509 4.783 4.120 0.256 0.000 0.286 144 V C -0.731 174.716 176.094 -1.080 0.000 1.034 144 V CA -0.253 61.501 62.300 -0.911 0.000 0.893 144 V CB 0.213 31.588 31.823 -0.747 0.000 0.982 144 V HN 0.511 nan 8.190 nan 0.000 0.452 145 F N 2.011 121.609 119.950 -0.587 0.000 2.662 145 F HA 0.550 5.230 4.527 0.255 0.000 0.312 145 F C 0.077 175.711 175.800 -0.277 0.000 1.113 145 F CA -0.699 57.057 58.000 -0.406 0.000 0.951 145 F CB 1.269 40.046 39.000 -0.372 0.000 1.344 145 F HN 0.523 nan 8.300 nan 0.000 0.462 146 C N 2.530 121.940 119.300 0.182 0.000 2.405 146 C HA 0.750 5.363 4.460 0.256 0.000 0.365 146 C C 0.143 175.344 174.990 0.352 0.000 1.233 146 C CA -0.686 58.471 59.018 0.231 0.000 2.230 146 C CB 0.075 27.905 27.740 0.150 0.000 2.443 146 C HN 0.691 nan 8.230 nan 0.000 0.556 147 V N 5.209 125.338 119.914 0.359 0.000 2.673 147 V HA 0.334 4.608 4.120 0.256 0.000 0.303 147 V C 0.020 176.196 176.094 0.137 0.000 1.046 147 V CA 0.197 62.650 62.300 0.256 0.000 1.126 147 V CB -0.145 31.758 31.823 0.133 0.000 0.934 147 V HN 1.257 nan 8.190 nan 0.000 0.487 155 K N 3.416 123.809 120.400 -0.012 0.000 2.218 155 K HA 0.304 4.778 4.320 0.256 0.000 0.276 155 K C -2.108 174.513 176.600 0.034 0.000 1.022 155 K CA -1.606 54.660 56.287 -0.036 0.000 0.946 155 K CB 0.591 32.970 32.500 -0.201 0.000 1.000 155 K HN 0.228 nan 8.250 nan 0.000 0.468 156 P HA 0.027 nan 4.420 nan 0.000 0.275 156 P C -0.754 176.586 177.300 0.067 0.000 1.228 156 P CA -0.435 62.686 63.100 0.034 0.000 0.786 156 P CB 0.674 32.377 31.700 0.006 0.000 0.927 157 A N 3.918 126.789 122.820 0.085 0.000 2.587 157 A HA -0.026 4.448 4.320 0.256 0.000 0.235 157 A C 0.745 178.380 177.584 0.085 0.000 1.044 157 A CA 0.224 52.322 52.037 0.101 0.000 0.754 157 A CB -0.428 18.617 19.000 0.075 0.000 0.968 157 A HN 0.462 nan 8.150 nan 0.000 0.509 158 R N 0.507 121.075 120.500 0.113 0.000 2.679 158 R HA 0.331 4.825 4.340 0.256 0.000 0.269 158 R C -0.747 175.611 176.300 0.097 0.000 1.076 158 R CA -0.593 55.572 56.100 0.110 0.000 1.160 158 R CB 0.227 30.609 30.300 0.137 0.000 1.054 158 R HN 0.519 nan 8.270 nan 0.000 0.507 159 L N 2.069 123.353 121.223 0.101 0.000 2.334 159 L HA 0.471 4.964 4.340 0.256 0.000 0.275 159 L C -0.232 176.725 176.870 0.146 0.000 1.036 159 L CA -0.480 54.421 54.840 0.102 0.000 0.807 159 L CB 1.235 43.336 42.059 0.070 0.000 1.231 159 L HN 0.490 nan 8.230 nan 0.000 0.438 160 I N 2.056 122.729 120.570 0.172 0.000 2.545 160 I HA 0.638 4.961 4.170 0.256 0.000 0.292 160 I C -1.203 175.084 176.117 0.284 0.000 1.040 160 I CA -0.330 61.111 61.300 0.236 0.000 1.068 160 I CB 1.909 40.051 38.000 0.237 0.000 1.251 160 I HN 0.197 nan 8.210 nan 0.000 0.424 161 V N 8.584 128.670 119.914 0.286 0.000 2.443 161 V HA 0.575 4.849 4.120 0.256 0.000 0.293 161 V C -0.964 175.288 176.094 0.263 0.000 1.021 161 V CA -0.454 61.960 62.300 0.190 0.000 0.848 161 V CB 1.141 33.060 31.823 0.161 0.000 0.998 161 V HN 0.586 nan 8.190 nan 0.000 0.424 162 F N 5.150 125.147 119.950 0.078 0.000 2.591 162 F HA 0.925 5.606 4.527 0.257 0.000 0.309 162 F C -3.004 172.836 175.800 0.067 0.000 1.098 162 F CA -2.699 55.347 58.000 0.076 0.000 0.937 162 F CB 1.759 40.798 39.000 0.065 0.000 1.250 162 F HN 0.290 nan 8.300 nan 0.000 0.447 163 P HA 0.167 nan 4.420 nan 0.000 0.277 163 P C -0.884 176.542 177.300 0.210 0.000 1.271 163 P CA -0.113 63.060 63.100 0.122 0.000 0.795 163 P CB 1.186 32.959 31.700 0.122 0.000 1.101 164 D N -0.884 119.622 120.400 0.176 0.000 2.362 164 D HA -0.046 4.747 4.640 0.256 0.000 0.238 164 D C 1.299 177.731 176.300 0.220 0.000 1.212 164 D CA -0.261 53.870 54.000 0.219 0.000 0.902 164 D CB 0.247 41.228 40.800 0.302 0.000 1.180 164 D HN 0.085 nan 8.370 nan 0.000 0.445 165 L N 2.163 123.499 121.223 0.188 0.000 2.083 165 L HA 0.077 4.570 4.340 0.256 0.000 0.209 165 L C 2.002 179.008 176.870 0.226 0.000 1.083 165 L CA 2.332 57.271 54.840 0.165 0.000 0.752 165 L CB -1.016 41.096 42.059 0.088 0.000 0.899 165 L HN 0.622 nan 8.230 nan 0.000 0.433 166 G N -1.296 107.695 108.800 0.319 0.000 2.408 166 G HA2 -0.167 3.947 3.960 0.256 0.000 0.217 166 G HA3 -0.167 3.947 3.960 0.256 0.000 0.217 166 G C 1.519 176.510 174.900 0.152 0.000 1.150 166 G CA 0.941 46.228 45.100 0.312 0.000 0.776 166 G HN 0.329 nan 8.290 nan 0.000 0.542 167 V N 0.740 120.743 119.914 0.147 0.000 2.407 167 V HA -0.159 4.114 4.120 0.256 0.000 0.248 167 V C 2.917 179.084 176.094 0.122 0.000 1.055 167 V CA 1.825 64.191 62.300 0.109 0.000 1.049 167 V CB -0.442 31.439 31.823 0.097 0.000 0.662 167 V HN 0.322 nan 8.190 nan 0.000 0.455 168 R N -0.327 120.254 120.500 0.135 0.000 2.092 168 R HA -0.099 4.394 4.340 0.256 0.000 0.231 168 R C 2.235 178.588 176.300 0.088 0.000 1.119 168 R CA 1.365 57.539 56.100 0.122 0.000 0.970 168 R CB -0.555 29.814 30.300 0.114 0.000 0.864 168 R HN 0.431 nan 8.270 nan 0.000 0.440 169 V N 0.455 120.410 119.914 0.068 0.000 2.343 169 V HA -0.288 3.985 4.120 0.256 0.000 0.247 169 V C 2.481 178.583 176.094 0.013 0.000 1.051 169 V CA 1.503 63.809 62.300 0.011 0.000 1.036 169 V CB -0.502 31.317 31.823 -0.007 0.000 0.654 169 V HN 0.437 nan 8.190 nan 0.000 0.451 170 C N -0.008 119.342 119.300 0.084 0.000 2.425 170 C HA -0.142 4.471 4.460 0.256 0.000 0.277 170 C C 2.672 177.816 174.990 0.256 0.000 1.280 170 C CA 0.933 60.079 59.018 0.212 0.000 1.744 170 C CB -1.026 26.894 27.740 0.300 0.000 1.989 170 C HN 0.625 nan 8.230 nan 0.000 0.491 171 E N 0.736 121.047 120.200 0.185 0.000 2.077 171 E HA -0.207 4.297 4.350 0.256 0.000 0.193 171 E C 2.143 178.851 176.600 0.179 0.000 0.989 171 E CA 1.115 57.639 56.400 0.208 0.000 0.800 171 E CB -0.124 29.711 29.700 0.225 0.000 0.746 171 E HN 0.633 nan 8.360 nan 0.000 0.452 172 K N 0.474 120.944 120.400 0.116 0.000 2.002 172 K HA -0.094 4.380 4.320 0.256 0.000 0.209 172 K C 2.239 178.875 176.600 0.060 0.000 1.048 172 K CA 1.355 57.693 56.287 0.086 0.000 0.930 172 K CB -0.110 32.367 32.500 -0.039 0.000 0.714 172 K HN 0.076 nan 8.250 nan 0.000 0.438 173 M N 0.393 119.974 119.600 -0.032 0.000 2.088 173 M HA -0.247 4.387 4.480 0.256 0.000 0.256 173 M C 2.464 178.771 176.300 0.012 0.000 1.071 173 M CA 2.002 57.213 55.300 -0.147 0.000 1.097 173 M CB -0.505 31.794 32.600 -0.502 0.000 1.315 173 M HN 0.270 nan 8.290 nan 0.000 0.406 174 A N -0.672 122.273 122.820 0.209 0.000 1.929 174 A HA 0.011 4.485 4.320 0.256 0.000 0.216 174 A C 1.842 179.523 177.584 0.162 0.000 1.176 174 A CA 1.274 53.498 52.037 0.311 0.000 0.628 174 A CB -0.187 19.048 19.000 0.391 0.000 0.816 174 A HN 0.520 nan 8.150 nan 0.000 0.444 175 L N -3.122 118.178 121.223 0.129 0.000 3.217 175 L HA 0.200 4.693 4.340 0.256 0.000 0.288 175 L C 1.651 178.552 176.870 0.052 0.000 1.202 175 L CA -0.026 54.837 54.840 0.038 0.000 1.027 175 L CB 0.227 42.283 42.059 -0.006 0.000 1.427 175 L HN 0.465 nan 8.230 nan 0.000 0.600 176 Y N 1.276 121.580 120.300 0.007 0.000 2.181 176 Y HA -0.305 4.401 4.550 0.259 0.000 0.288 176 Y C 2.144 178.066 175.900 0.037 0.000 1.146 176 Y CA 2.254 60.370 58.100 0.028 0.000 1.164 176 Y CB 0.160 38.623 38.460 0.006 0.000 0.982 176 Y HN 0.235 nan 8.280 nan 0.000 0.515 177 D N -0.705 119.708 120.400 0.021 0.000 2.178 177 D HA -0.151 4.642 4.640 0.256 0.000 0.202 177 D C 2.140 178.365 176.300 -0.125 0.000 0.974 177 D CA 1.283 55.243 54.000 -0.068 0.000 0.841 177 D CB -0.126 40.691 40.800 0.027 0.000 0.953 177 D HN 0.279 nan 8.370 nan 0.000 0.478 178 V N 0.360 120.205 119.914 -0.116 0.000 2.270 178 V HA -0.199 4.075 4.120 0.256 0.000 0.245 178 V C 2.665 178.635 176.094 -0.207 0.000 1.043 178 V CA 1.730 63.939 62.300 -0.151 0.000 1.014 178 V CB -0.559 31.148 31.823 -0.193 0.000 0.645 178 V HN 0.321 nan 8.190 nan 0.000 0.447 179 V N -2.384 117.388 119.914 -0.237 0.000 2.970 179 V HA -0.067 4.207 4.120 0.256 0.000 0.260 179 V C 1.934 177.868 176.094 -0.266 0.000 1.100 179 V CA 1.984 64.138 62.300 -0.244 0.000 1.122 179 V CB -0.389 31.317 31.823 -0.195 0.000 0.721 179 V HN 0.458 nan 8.190 nan 0.000 0.483 180 S N 0.081 115.623 115.700 -0.263 0.000 2.503 180 S HA 0.061 4.684 4.470 0.256 0.000 0.217 180 S C 1.742 176.235 174.600 -0.177 0.000 0.999 180 S CA 1.123 59.188 58.200 -0.225 0.000 0.914 180 S CB 0.210 63.223 63.200 -0.312 0.000 0.782 180 S HN 0.773 nan 8.310 nan 0.000 0.520 181 T N 1.192 115.633 114.554 -0.187 0.000 3.019 181 T HA 0.293 4.797 4.350 0.256 0.000 0.247 181 T C 1.591 176.180 174.700 -0.185 0.000 0.992 181 T CA -0.194 61.816 62.100 -0.150 0.000 1.036 181 T CB -0.132 68.673 68.868 -0.105 0.000 1.063 181 T HN 0.141 nan 8.240 nan 0.000 0.476 182 L N 2.030 123.134 121.223 -0.198 0.000 2.027 182 L HA 0.042 4.536 4.340 0.256 0.000 0.206 182 L C -1.009 175.690 176.870 -0.285 0.000 1.074 182 L CA 1.449 56.180 54.840 -0.182 0.000 0.745 182 L CB -0.667 41.330 42.059 -0.104 0.000 0.898 182 L HN 0.114 nan 8.230 nan 0.000 0.433 183 P HA -0.204 nan 4.420 nan 0.000 0.217 183 P C 1.280 178.178 177.300 -0.670 0.000 1.150 183 P CA 1.133 63.830 63.100 -0.672 0.000 0.832 183 P CB -0.161 30.837 31.700 -1.170 0.000 0.787 184 Q N 0.071 119.514 119.800 -0.596 0.000 2.167 184 Q HA -0.089 4.405 4.340 0.256 0.000 0.202 184 Q C 1.915 177.790 176.000 -0.208 0.000 0.970 184 Q CA 1.334 56.963 55.803 -0.291 0.000 0.855 184 Q CB -0.610 28.040 28.738 -0.146 0.000 0.911 184 Q HN 0.088 nan 8.270 nan 0.000 0.438 185 V N -0.042 119.752 119.914 -0.199 0.000 2.453 185 V HA -0.175 4.098 4.120 0.256 0.000 0.247 185 V C 2.385 178.392 176.094 -0.145 0.000 1.048 185 V CA 1.197 63.414 62.300 -0.138 0.000 1.049 185 V CB -0.128 31.629 31.823 -0.110 0.000 0.672 185 V HN 0.126 nan 8.190 nan 0.000 0.457 186 V N -0.919 118.875 119.914 -0.200 0.000 2.535 186 V HA -0.103 4.171 4.120 0.256 0.000 0.246 186 V C 1.990 177.906 176.094 -0.297 0.000 1.045 186 V CA 1.865 64.039 62.300 -0.210 0.000 1.058 186 V CB -0.269 31.418 31.823 -0.226 0.000 0.689 186 V HN 0.458 nan 8.190 nan 0.000 0.461 187 M N -1.301 118.066 119.600 -0.390 0.000 2.367 187 M HA 0.384 5.018 4.480 0.256 0.000 0.256 187 M C 1.422 177.598 176.300 -0.207 0.000 1.091 187 M CA 0.797 55.794 55.300 -0.505 0.000 1.049 187 M CB 0.561 32.749 32.600 -0.687 0.000 1.406 187 M HN 0.446 nan 8.290 nan 0.000 0.498 188 G N 1.355 110.063 108.800 -0.153 0.000 2.574 188 G HA2 -0.385 3.728 3.960 0.256 0.000 0.286 188 G HA3 -0.385 3.728 3.960 0.256 0.000 0.286 188 G C 0.812 175.650 174.900 -0.103 0.000 1.212 188 G CA 0.713 45.761 45.100 -0.087 0.000 0.979 188 G HN 0.519 nan 8.290 nan 0.000 0.557 189 S N -0.585 115.071 115.700 -0.074 0.000 2.469 189 S HA 0.028 4.651 4.470 0.256 0.000 0.238 189 S C 2.180 176.582 174.600 -0.329 0.000 0.998 189 S CA 2.031 60.121 58.200 -0.183 0.000 0.957 189 S CB -0.155 63.008 63.200 -0.062 0.000 0.764 189 S HN 1.075 nan 8.310 nan 0.000 0.514 190 S N 0.165 115.806 115.700 -0.100 0.000 2.522 190 S HA 0.113 4.736 4.470 0.256 0.000 0.227 190 S C 0.242 174.815 174.600 -0.045 0.000 0.986 190 S CA -0.079 58.123 58.200 0.004 0.000 0.929 190 S CB -0.399 62.934 63.200 0.222 0.000 0.769 190 S HN 0.696 nan 8.310 nan 0.000 0.529 191 Y N 2.958 123.089 120.300 -0.282 0.000 2.531 191 Y HA 0.450 5.146 4.550 0.242 0.000 0.347 191 Y C 1.272 176.914 175.900 -0.430 0.000 1.024 191 Y CA -1.349 56.560 58.100 -0.318 0.000 1.306 191 Y CB 0.087 38.367 38.460 -0.300 0.000 1.149 191 Y HN 0.057 nan 8.280 nan 0.000 0.527 192 G N 4.552 112.884 108.800 -0.780 0.000 2.422 192 G HA2 -0.255 3.858 3.960 0.256 0.000 0.218 192 G HA3 -0.255 3.858 3.960 0.256 0.000 0.218 192 G C 0.981 175.313 174.900 -0.946 0.000 1.140 192 G CA 0.246 44.905 45.100 -0.736 0.000 0.775 192 G HN 0.638 nan 8.290 nan 0.000 0.545 193 F N 1.137 120.335 119.950 -1.255 0.000 2.802 193 F HA 0.094 4.752 4.527 0.219 0.000 0.300 193 F C 2.670 178.186 175.800 -0.473 0.000 1.168 193 F CA 0.638 58.000 58.000 -1.063 0.000 1.433 193 F CB 0.000 38.357 39.000 -1.072 0.000 1.115 193 F HN 0.372 nan 8.300 nan 0.000 0.582 194 Q N -0.913 118.625 119.800 -0.438 0.000 2.403 194 Q HA -0.014 4.480 4.340 0.256 0.000 0.203 194 Q C -0.710 175.187 176.000 -0.173 0.000 0.932 194 Q CA 0.569 56.231 55.803 -0.235 0.000 0.945 194 Q CB -0.090 28.431 28.738 -0.362 0.000 1.045 194 Q HN 0.271 nan 8.270 nan 0.000 0.511 195 Y N 1.390 121.720 120.300 0.050 0.000 2.409 195 Y HA 0.354 5.064 4.550 0.267 0.000 0.339 195 Y C 0.467 176.317 175.900 -0.083 0.000 1.033 195 Y CA -1.537 56.549 58.100 -0.024 0.000 1.094 195 Y CB 1.682 40.086 38.460 -0.094 0.000 1.210 195 Y HN 0.101 nan 8.280 nan 0.000 0.456 196 S N 1.990 117.527 115.700 -0.270 0.000 2.624 196 S HA 0.233 4.856 4.470 0.256 0.000 0.263 196 S C -2.052 172.297 174.600 -0.418 0.000 1.287 196 S CA -1.039 56.573 58.200 -0.979 0.000 0.990 196 S CB 1.142 63.732 63.200 -1.016 0.000 0.950 196 S HN 0.431 nan 8.310 nan 0.000 0.561 197 P HA -0.008 nan 4.420 nan 0.000 0.216 197 P C 1.585 178.831 177.300 -0.091 0.000 1.150 197 P CA 1.656 64.665 63.100 -0.150 0.000 0.843 197 P CB -0.445 31.191 31.700 -0.106 0.000 0.787 198 G N -0.589 108.131 108.800 -0.132 0.000 2.408 198 G HA2 -0.213 3.900 3.960 0.256 0.000 0.215 198 G HA3 -0.213 3.900 3.960 0.256 0.000 0.215 198 G C 1.518 176.359 174.900 -0.100 0.000 1.156 198 G CA 0.296 45.355 45.100 -0.069 0.000 0.793 198 G HN 0.282 nan 8.290 nan 0.000 0.535 199 Q N -0.458 119.261 119.800 -0.134 0.000 2.224 199 Q HA 0.003 4.496 4.340 0.256 0.000 0.203 199 Q C 2.546 178.353 176.000 -0.322 0.000 0.970 199 Q CA 0.783 56.509 55.803 -0.128 0.000 0.865 199 Q CB -0.072 28.683 28.738 0.029 0.000 0.922 199 Q HN 0.438 nan 8.270 nan 0.000 0.445 200 R N 0.094 120.454 120.500 -0.233 0.000 2.073 200 R HA -0.098 4.396 4.340 0.256 0.000 0.229 200 R C 2.020 178.217 176.300 -0.171 0.000 1.120 200 R CA 0.999 56.947 56.100 -0.253 0.000 0.967 200 R CB 0.010 30.282 30.300 -0.048 0.000 0.862 200 R HN 0.091 nan 8.270 nan 0.000 0.436 201 V N 1.143 120.985 119.914 -0.119 0.000 2.427 201 V HA -0.195 4.078 4.120 0.256 0.000 0.248 201 V C 2.235 178.242 176.094 -0.145 0.000 1.051 201 V CA 2.048 64.282 62.300 -0.111 0.000 1.048 201 V CB -0.415 31.379 31.823 -0.047 0.000 0.666 201 V HN 0.460 nan 8.190 nan 0.000 0.456 202 E N -0.595 119.531 120.200 -0.124 0.000 2.107 202 E HA -0.217 4.286 4.350 0.256 0.000 0.191 202 E C 2.070 178.599 176.600 -0.119 0.000 0.982 202 E CA 1.152 57.486 56.400 -0.110 0.000 0.809 202 E CB -0.108 29.549 29.700 -0.072 0.000 0.756 202 E HN 0.560 nan 8.360 nan 0.000 0.459 203 F N 1.208 120.957 119.950 -0.335 0.000 2.084 203 F HA -0.116 4.578 4.527 0.278 0.000 0.296 203 F C 1.874 177.548 175.800 -0.209 0.000 1.111 203 F CA 1.255 59.058 58.000 -0.329 0.000 1.224 203 F CB -0.361 38.275 39.000 -0.606 0.000 0.991 203 F HN -0.021 nan 8.300 nan 0.000 0.471 204 L N -0.473 120.583 121.223 -0.279 0.000 2.013 204 L HA -0.271 4.222 4.340 0.256 0.000 0.212 204 L C 2.368 179.065 176.870 -0.288 0.000 1.073 204 L CA 1.432 56.088 54.840 -0.307 0.000 0.753 204 L CB -0.913 41.032 42.059 -0.189 0.000 0.890 204 L HN 0.048 nan 8.230 nan 0.000 0.432 205 V N -0.248 119.492 119.914 -0.290 0.000 2.307 205 V HA -0.240 4.033 4.120 0.256 0.000 0.245 205 V C 2.169 178.150 176.094 -0.187 0.000 1.045 205 V CA 1.796 63.917 62.300 -0.299 0.000 1.024 205 V CB -0.716 30.814 31.823 -0.488 0.000 0.651 205 V HN 0.465 nan 8.190 nan 0.000 0.449 206 N N 0.246 118.826 118.700 -0.200 0.000 2.149 206 N HA -0.142 4.751 4.740 0.256 0.000 0.188 206 N C 1.896 177.293 175.510 -0.188 0.000 1.019 206 N CA 1.957 54.913 53.050 -0.157 0.000 0.857 206 N CB -0.663 37.751 38.487 -0.121 0.000 0.997 206 N HN 0.470 nan 8.380 nan 0.000 0.426 207 T N 0.174 114.530 114.554 -0.330 0.000 2.737 207 T HA -0.129 4.374 4.350 0.256 0.000 0.265 207 T C 1.494 176.105 174.700 -0.148 0.000 1.038 207 T CA 0.590 62.488 62.100 -0.337 0.000 1.144 207 T CB -0.277 68.222 68.868 -0.615 0.000 0.866 207 T HN 0.416 nan 8.240 nan 0.000 0.434 208 W N 2.317 123.447 121.300 -0.284 0.000 2.342 208 W HA -0.074 4.738 4.660 0.253 0.000 0.297 208 W C 1.668 178.093 176.519 -0.156 0.000 1.213 208 W CA 1.164 58.387 57.345 -0.204 0.000 1.251 208 W CB -0.129 29.204 29.460 -0.212 0.000 1.136 208 W HN 0.265 nan 8.180 nan 0.000 0.526 209 K N 0.012 120.423 120.400 0.019 0.000 2.418 209 K HA -0.073 4.401 4.320 0.256 0.000 0.195 209 K C 1.876 178.428 176.600 -0.080 0.000 1.035 209 K CA 1.218 57.487 56.287 -0.029 0.000 1.003 209 K CB -0.077 32.414 32.500 -0.015 0.000 0.793 209 K HN 0.005 nan 8.250 nan 0.000 0.494 210 S N 0.440 116.076 115.700 -0.105 0.000 2.605 210 S HA 0.108 4.731 4.470 0.256 0.000 0.217 210 S C 0.137 174.665 174.600 -0.120 0.000 0.958 210 S CA -0.316 57.825 58.200 -0.097 0.000 0.919 210 S CB 0.128 63.277 63.200 -0.086 0.000 0.780 210 S HN -0.064 nan 8.310 nan 0.000 0.507 211 K N 1.313 121.607 120.400 -0.177 0.000 2.244 211 K HA 0.355 4.828 4.320 0.256 0.000 0.260 211 K C 0.521 177.010 176.600 -0.185 0.000 0.951 211 K CA -0.612 55.557 56.287 -0.197 0.000 0.826 211 K CB 1.661 33.988 32.500 -0.288 0.000 1.108 211 K HN -0.038 nan 8.250 nan 0.000 0.433 212 K N 1.114 121.435 120.400 -0.131 0.000 2.001 212 K HA -0.090 4.383 4.320 0.256 0.000 0.214 212 K C 0.753 177.277 176.600 -0.126 0.000 1.050 212 K CA 1.406 57.631 56.287 -0.104 0.000 0.934 212 K CB -0.238 32.219 32.500 -0.073 0.000 0.718 212 K HN 0.598 nan 8.250 nan 0.000 0.443 213 N N 0.684 119.300 118.700 -0.140 0.000 2.746 213 N HA 0.256 5.149 4.740 0.256 0.000 0.250 213 N C -2.983 172.393 175.510 -0.224 0.000 1.146 213 N CA -1.363 51.602 53.050 -0.142 0.000 0.828 213 N CB 1.580 40.024 38.487 -0.072 0.000 1.158 213 N HN 0.256 nan 8.380 nan 0.000 0.519 214 P HA 0.112 nan 4.420 nan 0.000 0.271 214 P C -0.233 176.680 177.300 -0.645 0.000 1.216 214 P CA -0.181 62.436 63.100 -0.805 0.000 0.776 214 P CB 1.206 31.833 31.700 -1.789 0.000 0.881 215 M N 2.340 121.656 119.600 -0.474 0.000 2.386 215 M HA 0.631 5.264 4.480 0.256 0.000 0.293 215 M C -1.089 175.129 176.300 -0.137 0.000 1.120 215 M CA -0.316 54.791 55.300 -0.322 0.000 0.909 215 M CB 2.592 35.072 32.600 -0.200 0.000 1.661 215 M HN 0.556 nan 8.290 nan 0.000 0.452 216 G N 3.869 112.702 108.800 0.055 0.000 2.612 216 G HA2 0.816 4.930 3.960 0.256 0.000 0.298 216 G HA3 0.816 4.930 3.960 0.256 0.000 0.298 216 G C -1.962 173.018 174.900 0.133 0.000 1.336 216 G CA -0.580 44.592 45.100 0.121 0.000 0.953 216 G HN 0.762 nan 8.290 nan 0.000 0.482 217 F N -0.157 119.752 119.950 -0.068 0.000 2.631 217 F HA 0.800 5.484 4.527 0.261 0.000 0.308 217 F C -0.135 175.648 175.800 -0.028 0.000 1.097 217 F CA -1.524 56.437 58.000 -0.064 0.000 0.952 217 F CB 1.500 40.445 39.000 -0.092 0.000 1.307 217 F HN 0.603 nan 8.300 nan 0.000 0.450 218 S N 1.322 117.090 115.700 0.112 0.000 2.578 218 S HA 0.588 5.211 4.470 0.256 0.000 0.283 218 S C -1.473 173.311 174.600 0.307 0.000 1.195 218 S CA -0.537 57.714 58.200 0.086 0.000 1.050 218 S CB 1.413 64.646 63.200 0.056 0.000 1.012 218 S HN 0.841 nan 8.310 nan 0.000 0.511 219 Y N 1.521 121.922 120.300 0.168 0.000 2.328 219 Y HA 0.416 5.119 4.550 0.254 0.000 0.333 219 Y C -0.852 175.173 175.900 0.207 0.000 0.958 219 Y CA -0.868 57.403 58.100 0.284 0.000 1.167 219 Y CB 1.281 40.022 38.460 0.467 0.000 1.151 219 Y HN 0.874 nan 8.280 nan 0.000 0.470 220 D N 4.414 124.674 120.400 -0.235 0.000 2.396 220 D HA 0.192 4.986 4.640 0.256 0.000 0.225 220 D C -0.726 175.419 176.300 -0.257 0.000 1.121 220 D CA -0.066 53.846 54.000 -0.147 0.000 0.853 220 D CB 0.882 41.632 40.800 -0.083 0.000 1.043 220 D HN 0.454 nan 8.370 nan 0.000 0.500 221 T N 4.008 118.581 114.554 0.032 0.000 2.779 221 T HA 0.112 4.615 4.350 0.256 0.000 0.296 221 T C 0.474 175.269 174.700 0.158 0.000 0.938 221 T CA -0.436 61.774 62.100 0.184 0.000 1.119 221 T CB 0.492 69.698 68.868 0.563 0.000 0.891 221 T HN 0.330 nan 8.240 nan 0.000 0.526 222 R N 2.654 123.201 120.500 0.078 0.000 2.446 222 R HA 0.102 4.595 4.340 0.256 0.000 0.325 222 R C 0.251 176.649 176.300 0.163 0.000 0.997 222 R CA -0.076 56.067 56.100 0.071 0.000 1.010 222 R CB -0.777 29.510 30.300 -0.022 0.000 0.946 222 R HN 0.900 nan 8.270 nan 0.000 0.422 223 C N 5.968 125.400 119.300 0.220 0.000 4.067 223 C HA -0.176 4.437 4.460 0.256 0.000 0.305 223 C C 1.242 176.443 174.990 0.353 0.000 1.305 223 C CA 0.180 59.383 59.018 0.309 0.000 2.111 223 C CB -2.482 25.502 27.740 0.408 0.000 1.339 223 C HN 1.070 nan 8.230 nan 0.000 0.668 224 F N 1.533 121.605 119.950 0.203 0.000 2.115 224 F HA -0.151 4.533 4.527 0.261 0.000 0.300 224 F C 1.730 177.642 175.800 0.188 0.000 1.092 224 F CA 2.604 60.723 58.000 0.197 0.000 1.245 224 F CB -0.021 39.084 39.000 0.175 0.000 0.995 224 F HN 0.547 nan 8.300 nan 0.000 0.481 225 D N -0.616 120.008 120.400 0.373 0.000 2.117 225 D HA -0.157 4.637 4.640 0.256 0.000 0.197 225 D C 2.435 178.800 176.300 0.109 0.000 0.987 225 D CA 1.690 55.842 54.000 0.252 0.000 0.829 225 D CB -0.500 40.458 40.800 0.263 0.000 0.961 225 D HN 0.210 nan 8.370 nan 0.000 0.460 226 S N -0.634 115.148 115.700 0.137 0.000 2.453 226 S HA -0.094 4.529 4.470 0.256 0.000 0.231 226 S C 1.996 176.548 174.600 -0.080 0.000 1.005 226 S CA 1.284 59.464 58.200 -0.033 0.000 0.949 226 S CB -0.255 62.913 63.200 -0.054 0.000 0.774 226 S HN 0.524 nan 8.310 nan 0.000 0.510 227 T N -0.339 114.264 114.554 0.080 0.000 3.067 227 T HA 0.109 4.613 4.350 0.256 0.000 0.261 227 T C 0.600 175.234 174.700 -0.110 0.000 1.110 227 T CA 0.044 62.175 62.100 0.053 0.000 1.113 227 T CB -0.441 68.432 68.868 0.009 0.000 0.917 227 T HN 0.047 nan 8.240 nan 0.000 0.499 228 V N 4.140 123.958 119.914 -0.161 0.000 2.446 228 V HA 0.311 4.584 4.120 0.256 0.000 0.276 228 V C 1.138 177.188 176.094 -0.074 0.000 1.030 228 V CA -0.275 61.951 62.300 -0.125 0.000 1.033 228 V CB -0.240 31.547 31.823 -0.060 0.000 0.993 228 V HN 0.703 nan 8.190 nan 0.000 0.477 229 T N 0.742 115.267 114.554 -0.049 0.000 2.897 229 T HA 0.309 4.812 4.350 0.256 0.000 0.278 229 T C 1.035 175.730 174.700 -0.007 0.000 0.981 229 T CA -0.341 61.742 62.100 -0.028 0.000 0.973 229 T CB 1.543 70.398 68.868 -0.022 0.000 1.092 229 T HN 0.664 nan 8.240 nan 0.000 0.543 230 E N 0.321 120.526 120.200 0.009 0.000 2.110 230 E HA -0.250 4.253 4.350 0.256 0.000 0.193 230 E C 1.919 178.532 176.600 0.021 0.000 0.988 230 E CA 1.509 57.921 56.400 0.021 0.000 0.804 230 E CB -0.204 29.516 29.700 0.033 0.000 0.745 230 E HN 0.765 nan 8.360 nan 0.000 0.458 231 N N 0.737 119.446 118.700 0.015 0.000 2.025 231 N HA -0.209 4.684 4.740 0.256 0.000 0.194 231 N C 1.505 177.029 175.510 0.024 0.000 1.044 231 N CA 2.189 55.246 53.050 0.011 0.000 0.851 231 N CB -0.161 38.317 38.487 -0.015 0.000 1.036 231 N HN 0.083 nan 8.380 nan 0.000 0.422 232 D N 0.024 120.439 120.400 0.025 0.000 2.149 232 D HA -0.169 4.625 4.640 0.256 0.000 0.194 232 D C 1.940 178.251 176.300 0.018 0.000 1.001 232 D CA 1.176 55.200 54.000 0.040 0.000 0.849 232 D CB -0.291 40.525 40.800 0.025 0.000 0.939 232 D HN 0.488 nan 8.370 nan 0.000 0.449 233 I N 0.246 120.826 120.570 0.016 0.000 2.406 233 I HA -0.135 4.188 4.170 0.256 0.000 0.249 233 I C 2.454 178.572 176.117 0.002 0.000 1.122 233 I CA 0.625 61.937 61.300 0.020 0.000 1.431 233 I CB -0.033 38.001 38.000 0.057 0.000 1.087 233 I HN -0.115 nan 8.210 nan 0.000 0.424 234 R N 0.173 120.677 120.500 0.007 0.000 2.092 234 R HA -0.091 4.403 4.340 0.256 0.000 0.231 234 R C 2.305 178.579 176.300 -0.044 0.000 1.119 234 R CA 1.052 57.149 56.100 -0.005 0.000 0.970 234 R CB -0.372 29.933 30.300 0.009 0.000 0.864 234 R HN 0.213 nan 8.270 nan 0.000 0.440 235 V N 1.321 121.213 119.914 -0.038 0.000 2.407 235 V HA -0.231 4.042 4.120 0.256 0.000 0.248 235 V C 1.915 177.908 176.094 -0.168 0.000 1.055 235 V CA 1.795 64.059 62.300 -0.059 0.000 1.049 235 V CB -0.379 31.448 31.823 0.006 0.000 0.662 235 V HN 0.340 nan 8.190 nan 0.000 0.455 236 E N -0.352 119.708 120.200 -0.233 0.000 2.077 236 E HA -0.239 4.264 4.350 0.256 0.000 0.193 236 E C 2.381 178.427 176.600 -0.923 0.000 0.989 236 E CA 1.264 57.347 56.400 -0.529 0.000 0.800 236 E CB -0.172 29.272 29.700 -0.427 0.000 0.746 236 E HN 0.546 nan 8.360 nan 0.000 0.452 237 E N 0.673 120.574 120.200 -0.498 0.000 2.077 237 E HA -0.199 4.304 4.350 0.256 0.000 0.193 237 E C 2.169 178.671 176.600 -0.163 0.000 0.989 237 E CA 1.551 57.796 56.400 -0.259 0.000 0.800 237 E CB -0.011 29.694 29.700 0.009 0.000 0.746 237 E HN 0.239 nan 8.360 nan 0.000 0.452 238 S N 0.438 116.055 115.700 -0.139 0.000 2.382 238 S HA -0.155 4.468 4.470 0.256 0.000 0.228 238 S C 2.190 176.737 174.600 -0.089 0.000 1.027 238 S CA 1.191 59.345 58.200 -0.078 0.000 0.991 238 S CB -0.656 62.510 63.200 -0.057 0.000 0.823 238 S HN 0.290 nan 8.310 nan 0.000 0.469 239 I N 0.355 120.821 120.570 -0.173 0.000 2.179 239 I HA -0.161 4.162 4.170 0.256 0.000 0.242 239 I C 2.412 178.520 176.117 -0.015 0.000 1.088 239 I CA 1.459 62.681 61.300 -0.130 0.000 1.357 239 I CB -0.584 37.308 38.000 -0.180 0.000 1.051 239 I HN 0.230 nan 8.210 nan 0.000 0.409 240 Y N 0.955 121.248 120.300 -0.011 0.000 2.165 240 Y HA -0.222 4.481 4.550 0.255 0.000 0.286 240 Y C 2.649 178.551 175.900 0.004 0.000 1.155 240 Y CA 0.636 58.733 58.100 -0.004 0.000 1.164 240 Y CB -1.197 37.274 38.460 0.018 0.000 0.978 240 Y HN 0.244 nan 8.280 nan 0.000 0.513 241 Q N -1.041 118.844 119.800 0.142 0.000 2.364 241 Q HA -0.123 4.370 4.340 0.256 0.000 0.207 241 Q C 2.338 178.368 176.000 0.050 0.000 0.970 241 Q CA 0.987 56.840 55.803 0.084 0.000 0.888 241 Q CB -0.826 27.945 28.738 0.055 0.000 0.951 241 Q HN 0.531 nan 8.270 nan 0.000 0.469 242 C N 0.239 119.562 119.300 0.039 0.000 2.432 242 C HA -0.052 4.561 4.460 0.256 0.000 0.280 242 C C 1.620 176.624 174.990 0.024 0.000 1.353 242 C CA -0.673 58.357 59.018 0.020 0.000 1.766 242 C CB -0.701 27.042 27.740 0.004 0.000 1.924 242 C HN 0.419 nan 8.230 nan 0.000 0.509 243 C N 2.074 121.397 119.300 0.039 0.000 2.703 243 C HA 0.084 4.697 4.460 0.256 0.000 0.411 243 C C 0.629 175.635 174.990 0.027 0.000 1.290 243 C CA -0.319 58.716 59.018 0.029 0.000 2.054 243 C CB -0.347 27.414 27.740 0.034 0.000 2.732 243 C HN 0.513 nan 8.230 nan 0.000 0.650 244 D N 1.836 122.247 120.400 0.018 0.000 2.346 244 D HA 0.379 5.172 4.640 0.256 0.000 0.260 244 D C -0.604 175.711 176.300 0.026 0.000 1.252 244 D CA 0.411 54.423 54.000 0.020 0.000 0.895 244 D CB 0.085 40.893 40.800 0.013 0.000 1.097 244 D HN 0.402 nan 8.370 nan 0.000 0.489 245 L N 2.071 123.315 121.223 0.034 0.000 2.354 245 L HA 0.631 5.125 4.340 0.256 0.000 0.264 245 L C 0.422 177.320 176.870 0.046 0.000 1.008 245 L CA -1.409 53.458 54.840 0.044 0.000 0.819 245 L CB 1.758 43.851 42.059 0.057 0.000 1.339 245 L HN 0.298 nan 8.230 nan 0.000 0.420 246 A N 1.619 124.474 122.820 0.057 0.000 2.445 246 A HA 0.376 4.850 4.320 0.256 0.000 0.242 246 A C -1.794 175.829 177.584 0.065 0.000 1.075 246 A CA -0.849 51.224 52.037 0.061 0.000 0.777 246 A CB -0.146 18.900 19.000 0.075 0.000 1.013 246 A HN 0.642 nan 8.150 nan 0.000 0.493 247 P HA -0.160 nan 4.420 nan 0.000 0.216 247 P C 1.138 178.466 177.300 0.048 0.000 1.150 247 P CA 1.483 64.609 63.100 0.043 0.000 0.837 247 P CB 0.176 31.896 31.700 0.033 0.000 0.786 248 E N -0.652 119.599 120.200 0.085 0.000 2.110 248 E HA -0.160 4.344 4.350 0.256 0.000 0.193 248 E C 2.047 178.720 176.600 0.122 0.000 0.988 248 E CA 1.153 57.621 56.400 0.113 0.000 0.804 248 E CB -0.427 29.427 29.700 0.256 0.000 0.745 248 E HN 0.142 nan 8.360 nan 0.000 0.458 249 A N 1.377 124.299 122.820 0.171 0.000 1.898 249 A HA -0.183 4.291 4.320 0.256 0.000 0.216 249 A C 2.030 179.667 177.584 0.088 0.000 1.181 249 A CA 1.108 53.249 52.037 0.174 0.000 0.620 249 A CB -0.331 18.763 19.000 0.157 0.000 0.819 249 A HN 0.101 nan 8.150 nan 0.000 0.442 250 R N -1.034 119.502 120.500 0.061 0.000 2.073 250 R HA -0.189 4.305 4.340 0.256 0.000 0.234 250 R C 2.475 178.780 176.300 0.008 0.000 1.134 250 R CA 1.725 57.851 56.100 0.043 0.000 0.952 250 R CB -0.343 29.978 30.300 0.035 0.000 0.850 250 R HN 0.640 nan 8.270 nan 0.000 0.433 251 Q N 0.730 120.512 119.800 -0.031 0.000 2.119 251 Q HA -0.069 4.425 4.340 0.256 0.000 0.201 251 Q C 1.905 177.814 176.000 -0.150 0.000 0.972 251 Q CA 1.815 57.566 55.803 -0.086 0.000 0.847 251 Q CB -0.113 28.560 28.738 -0.109 0.000 0.903 251 Q HN 0.354 nan 8.270 nan 0.000 0.433 252 A N -0.084 122.613 122.820 -0.206 0.000 1.930 252 A HA -0.078 4.395 4.320 0.256 0.000 0.217 252 A C 2.044 179.563 177.584 -0.108 0.000 1.175 252 A CA 1.265 53.120 52.037 -0.304 0.000 0.627 252 A CB -0.549 18.165 19.000 -0.478 0.000 0.815 252 A HN 0.465 nan 8.150 nan 0.000 0.443 253 I N -0.539 120.034 120.570 0.005 0.000 2.286 253 I HA -0.213 4.110 4.170 0.256 0.000 0.245 253 I C 2.500 178.671 176.117 0.090 0.000 1.104 253 I CA 1.582 62.944 61.300 0.103 0.000 1.397 253 I CB -0.196 37.902 38.000 0.163 0.000 1.072 253 I HN 0.359 nan 8.210 nan 0.000 0.417 254 K N 0.662 121.084 120.400 0.037 0.000 2.009 254 K HA -0.233 4.240 4.320 0.256 0.000 0.210 254 K C 2.371 178.955 176.600 -0.025 0.000 1.049 254 K CA 2.027 58.325 56.287 0.017 0.000 0.929 254 K CB -0.173 32.325 32.500 -0.005 0.000 0.714 254 K HN 0.133 nan 8.250 nan 0.000 0.440 255 S N 0.661 116.315 115.700 -0.077 0.000 2.368 255 S HA -0.092 4.531 4.470 0.256 0.000 0.225 255 S C 2.007 176.519 174.600 -0.148 0.000 1.030 255 S CA 1.114 59.245 58.200 -0.115 0.000 0.999 255 S CB -0.228 62.874 63.200 -0.163 0.000 0.844 255 S HN 0.361 nan 8.310 nan 0.000 0.459 256 L N 0.724 121.833 121.223 -0.190 0.000 2.131 256 L HA -0.079 4.415 4.340 0.256 0.000 0.210 256 L C 2.709 179.276 176.870 -0.505 0.000 1.092 256 L CA 1.395 56.000 54.840 -0.392 0.000 0.759 256 L CB -0.784 41.009 42.059 -0.445 0.000 0.903 256 L HN 0.337 nan 8.230 nan 0.000 0.435 257 T N -1.129 113.346 114.554 -0.132 0.000 2.701 257 T HA -0.142 4.361 4.350 0.256 0.000 0.263 257 T C 1.792 176.505 174.700 0.023 0.000 1.040 257 T CA 1.074 63.231 62.100 0.095 0.000 1.147 257 T CB -0.082 68.898 68.868 0.187 0.000 0.865 257 T HN 0.252 nan 8.240 nan 0.000 0.426 258 E N 1.165 121.356 120.200 -0.014 0.000 2.077 258 E HA -0.060 4.443 4.350 0.256 0.000 0.193 258 E C 2.351 178.932 176.600 -0.032 0.000 0.989 258 E CA 1.137 57.529 56.400 -0.014 0.000 0.800 258 E CB -0.127 29.560 29.700 -0.023 0.000 0.746 258 E HN 0.462 nan 8.360 nan 0.000 0.452 259 R N -0.792 119.660 120.500 -0.079 0.000 2.206 259 R HA 0.118 4.612 4.340 0.256 0.000 0.198 259 R C 1.907 178.147 176.300 -0.100 0.000 0.986 259 R CA 0.206 56.259 56.100 -0.078 0.000 1.029 259 R CB 0.245 30.490 30.300 -0.092 0.000 0.966 259 R HN 0.037 nan 8.270 nan 0.000 0.487 260 L N -1.790 119.330 121.223 -0.171 0.000 2.614 260 L HA 0.195 4.689 4.340 0.256 0.000 0.185 260 L C 1.365 178.215 176.870 -0.033 0.000 1.098 260 L CA 0.970 55.708 54.840 -0.171 0.000 0.852 260 L CB -0.254 41.607 42.059 -0.329 0.000 1.213 260 L HN -0.107 nan 8.230 nan 0.000 0.491 261 Y N 0.112 120.427 120.300 0.026 0.000 2.200 261 Y HA -0.025 4.680 4.550 0.258 0.000 0.290 261 Y C 2.546 178.452 175.900 0.011 0.000 1.137 261 Y CA 1.273 59.396 58.100 0.038 0.000 1.163 261 Y CB -0.798 37.710 38.460 0.080 0.000 0.988 261 Y HN 0.108 nan 8.280 nan 0.000 0.518 262 I N -0.975 119.682 120.570 0.145 0.000 2.394 262 I HA -0.037 4.286 4.170 0.256 0.000 0.251 262 I C 1.155 177.281 176.117 0.015 0.000 1.136 262 I CA 1.317 62.660 61.300 0.072 0.000 1.425 262 I CB -0.249 37.786 38.000 0.058 0.000 1.079 262 I HN 0.287 nan 8.210 nan 0.000 0.425 263 G N -1.144 107.643 108.800 -0.022 0.000 2.320 263 G HA2 0.491 4.605 3.960 0.256 0.000 0.297 263 G HA3 0.491 4.605 3.960 0.256 0.000 0.297 263 G C -1.065 173.676 174.900 -0.264 0.000 1.344 263 G CA -0.146 44.870 45.100 -0.140 0.000 0.851 263 G HN 0.368 nan 8.290 nan 0.000 0.567 264 G N -0.883 107.496 108.800 -0.701 0.000 2.316 264 G HA2 0.727 4.840 3.960 0.256 0.000 0.296 264 G HA3 0.727 4.840 3.960 0.256 0.000 0.296 264 G C -3.477 170.807 174.900 -1.027 0.000 1.399 264 G CA -0.093 44.558 45.100 -0.748 0.000 0.833 264 G HN 0.735 nan 8.290 nan 0.000 0.565 265 P HA 0.423 nan 4.420 nan 0.000 0.276 265 P C -0.470 176.747 177.300 -0.139 0.000 1.230 265 P CA -0.141 62.846 63.100 -0.188 0.000 0.776 265 P CB 1.226 32.943 31.700 0.027 0.000 0.888 266 L N 3.066 124.250 121.223 -0.065 0.000 2.282 266 L HA 0.447 4.940 4.340 0.256 0.000 0.288 266 L C 0.551 177.430 176.870 0.015 0.000 1.033 266 L CA -0.130 54.700 54.840 -0.015 0.000 0.807 266 L CB 1.306 43.403 42.059 0.063 0.000 1.209 266 L HN 0.297 nan 8.230 nan 0.000 0.423 267 T N 1.383 115.922 114.554 -0.025 0.000 2.824 267 T HA 0.320 4.823 4.350 0.256 0.000 0.282 267 T C -0.230 174.450 174.700 -0.034 0.000 0.993 267 T CA -0.896 61.190 62.100 -0.023 0.000 0.967 267 T CB 1.503 70.342 68.868 -0.048 0.000 0.960 267 T HN 0.638 nan 8.240 nan 0.000 0.441 268 N N 0.792 119.489 118.700 -0.005 0.000 2.347 268 N HA 0.103 4.996 4.740 0.256 0.000 0.253 268 N C 1.446 176.945 175.510 -0.019 0.000 1.274 268 N CA -0.220 52.826 53.050 -0.007 0.000 0.941 268 N CB 0.147 38.640 38.487 0.010 0.000 1.200 268 N HN 0.458 nan 8.380 nan 0.000 0.514 269 S N -0.983 114.715 115.700 -0.003 0.000 2.440 269 S HA -0.152 4.471 4.470 0.256 0.000 0.238 269 S C 1.108 175.704 174.600 -0.006 0.000 1.010 269 S CA 0.862 59.064 58.200 0.003 0.000 0.972 269 S CB -0.444 62.771 63.200 0.025 0.000 0.774 269 S HN 0.647 nan 8.310 nan 0.000 0.501 270 K N 0.622 121.019 120.400 -0.005 0.000 2.444 270 K HA 0.256 4.729 4.320 0.256 0.000 0.193 270 K C 1.271 177.863 176.600 -0.012 0.000 1.024 270 K CA 0.384 56.668 56.287 -0.006 0.000 1.077 270 K CB -0.081 32.419 32.500 -0.000 0.000 0.833 270 K HN 0.559 nan 8.250 nan 0.000 0.517 271 G N 1.641 110.431 108.800 -0.018 0.000 2.157 271 G HA2 -0.284 3.829 3.960 0.256 0.000 0.248 271 G HA3 -0.284 3.829 3.960 0.256 0.000 0.248 271 G C -0.206 174.689 174.900 -0.009 0.000 0.979 271 G CA -0.101 44.985 45.100 -0.023 0.000 0.650 271 G HN 0.349 nan 8.290 nan 0.000 0.529 272 Q N 0.179 119.980 119.800 0.002 0.000 2.306 272 Q HA 0.327 4.820 4.340 0.256 0.000 0.241 272 Q C 0.249 176.266 176.000 0.028 0.000 0.948 272 Q CA -0.535 55.278 55.803 0.016 0.000 0.886 272 Q CB 0.804 29.554 28.738 0.020 0.000 1.227 272 Q HN 0.315 nan 8.270 nan 0.000 0.457 273 N N 1.043 119.767 118.700 0.040 0.000 2.411 273 N HA 0.038 4.931 4.740 0.256 0.000 0.259 273 N C -0.369 175.197 175.510 0.093 0.000 1.103 273 N CA -0.257 52.829 53.050 0.059 0.000 0.954 273 N CB 0.688 39.211 38.487 0.059 0.000 1.085 273 N HN 0.613 nan 8.380 nan 0.000 0.485 274 C N 2.643 122.018 119.300 0.125 0.000 2.735 274 C HA 0.406 5.019 4.460 0.256 0.000 0.271 274 C C 1.233 176.417 174.990 0.323 0.000 1.281 274 C CA 0.384 59.533 59.018 0.217 0.000 1.719 274 C CB -0.870 27.017 27.740 0.244 0.000 2.024 274 C HN 0.927 nan 8.230 nan 0.000 0.566 275 G N -1.290 107.625 108.800 0.192 0.000 2.356 275 G HA2 0.292 4.405 3.960 0.256 0.000 0.266 275 G HA3 0.292 4.405 3.960 0.256 0.000 0.266 275 G C -2.142 172.800 174.900 0.070 0.000 1.312 275 G CA -0.427 44.734 45.100 0.102 0.000 0.922 275 G HN 0.040 nan 8.290 nan 0.000 0.480 276 Y N 0.616 120.798 120.300 -0.196 0.000 2.470 276 Y HA 0.749 5.452 4.550 0.256 0.000 0.341 276 Y C -0.014 175.757 175.900 -0.214 0.000 1.021 276 Y CA -0.862 57.145 58.100 -0.156 0.000 1.025 276 Y CB 1.956 40.333 38.460 -0.138 0.000 1.266 276 Y HN 0.700 nan 8.280 nan 0.000 0.448 277 R N 4.888 125.119 120.500 -0.448 0.000 2.346 277 R HA 0.504 4.998 4.340 0.256 0.000 0.311 277 R C -0.501 175.586 176.300 -0.355 0.000 0.983 277 R CA -0.482 55.357 56.100 -0.435 0.000 0.880 277 R CB 0.872 30.991 30.300 -0.301 0.000 1.100 277 R HN 0.941 nan 8.270 nan 0.000 0.453 278 R N 2.733 123.020 120.500 -0.355 0.000 2.596 278 R HA 0.182 4.676 4.340 0.256 0.000 0.369 278 R C -0.187 175.978 176.300 -0.224 0.000 1.042 278 R CA -0.271 55.718 56.100 -0.185 0.000 1.120 278 R CB 0.441 30.686 30.300 -0.092 0.000 1.353 278 R HN 0.738 nan 8.270 nan 0.000 0.564 279 C N -1.248 117.852 119.300 -0.335 0.000 3.157 279 C HA 0.634 5.248 4.460 0.256 0.000 0.368 279 C C 0.067 174.985 174.990 -0.121 0.000 1.623 279 C CA -1.523 57.351 59.018 -0.240 0.000 1.530 279 C CB 1.135 28.674 27.740 -0.334 0.000 2.152 279 C HN 0.278 nan 8.230 nan 0.000 0.456 280 R N 1.209 121.690 120.500 -0.031 0.000 2.484 280 R HA 0.462 4.955 4.340 0.256 0.000 0.293 280 R C 0.066 176.421 176.300 0.091 0.000 1.023 280 R CA 0.812 56.946 56.100 0.057 0.000 1.037 280 R CB -0.199 30.170 30.300 0.114 0.000 0.951 280 R HN 1.104 nan 8.270 nan 0.000 0.418 281 A N 3.953 126.840 122.820 0.112 0.000 2.404 281 A HA 0.176 4.650 4.320 0.256 0.000 0.273 281 A C 1.005 178.689 177.584 0.167 0.000 1.144 281 A CA 0.161 52.287 52.037 0.149 0.000 0.806 281 A CB 0.151 19.248 19.000 0.162 0.000 1.080 281 A HN 1.015 nan 8.150 nan 0.000 0.509 282 S N 2.113 117.926 115.700 0.188 0.000 2.555 282 S HA 0.088 4.712 4.470 0.256 0.000 0.230 282 S C 1.014 175.715 174.600 0.169 0.000 0.978 282 S CA 0.692 59.000 58.200 0.180 0.000 0.934 282 S CB 0.085 63.400 63.200 0.191 0.000 0.766 282 S HN 1.267 nan 8.310 nan 0.000 0.533 283 G N 1.515 110.433 108.800 0.197 0.000 4.637 283 G HA2 0.515 4.628 3.960 0.256 0.000 0.294 283 G HA3 0.515 4.628 3.960 0.256 0.000 0.294 283 G C -0.241 174.783 174.900 0.208 0.000 1.215 283 G CA -0.045 45.176 45.100 0.202 0.000 0.943 283 G HN 0.606 nan 8.290 nan 0.000 0.572 284 V N -2.492 117.530 119.914 0.179 0.000 3.046 284 V HA 0.616 4.889 4.120 0.256 0.000 0.316 284 V C 1.395 177.568 176.094 0.130 0.000 1.104 284 V CA -0.916 61.506 62.300 0.204 0.000 1.006 284 V CB 1.723 33.739 31.823 0.322 0.000 1.058 284 V HN 0.074 nan 8.190 nan 0.000 0.440 285 L N 2.408 123.720 121.223 0.149 0.000 2.043 285 L HA -0.082 4.412 4.340 0.256 0.000 0.212 285 L C 2.417 179.296 176.870 0.016 0.000 1.075 285 L CA 3.196 58.102 54.840 0.110 0.000 0.752 285 L CB -0.659 41.490 42.059 0.149 0.000 0.891 285 L HN 1.111 nan 8.230 nan 0.000 0.432 286 T N -6.009 108.476 114.554 -0.115 0.000 3.148 286 T HA -0.017 4.487 4.350 0.256 0.000 0.253 286 T C 1.614 176.252 174.700 -0.104 0.000 1.134 286 T CA 0.757 62.735 62.100 -0.204 0.000 1.051 286 T CB -0.705 67.860 68.868 -0.505 0.000 0.959 286 T HN 0.295 nan 8.240 nan 0.000 0.525 287 T N 2.229 116.757 114.554 -0.043 0.000 2.607 287 T HA -0.200 4.304 4.350 0.256 0.000 0.267 287 T C 2.200 176.927 174.700 0.045 0.000 1.049 287 T CA 1.953 64.071 62.100 0.030 0.000 1.162 287 T CB -0.801 68.109 68.868 0.070 0.000 0.863 287 T HN 0.560 nan 8.240 nan 0.000 0.424 288 S N -0.358 115.344 115.700 0.004 0.000 2.356 288 S HA -0.154 4.470 4.470 0.256 0.000 0.223 288 S C 2.435 177.058 174.600 0.039 0.000 1.032 288 S CA 1.505 59.699 58.200 -0.011 0.000 1.005 288 S CB -0.939 62.153 63.200 -0.181 0.000 0.867 288 S HN 0.670 nan 8.310 nan 0.000 0.449 289 C N 1.118 120.413 119.300 -0.009 0.000 2.446 289 C HA 0.184 4.797 4.460 0.256 0.000 0.277 289 C C 2.849 177.889 174.990 0.083 0.000 1.275 289 C CA 0.932 59.956 59.018 0.009 0.000 1.727 289 C CB -1.768 25.930 27.740 -0.069 0.000 2.010 289 C HN 0.716 nan 8.230 nan 0.000 0.486 290 G N 0.570 109.430 108.800 0.100 0.000 2.421 290 G HA2 -0.219 3.894 3.960 0.256 0.000 0.216 290 G HA3 -0.219 3.894 3.960 0.256 0.000 0.216 290 G C 1.512 176.511 174.900 0.165 0.000 1.171 290 G CA 1.086 46.263 45.100 0.129 0.000 0.775 290 G HN 0.571 nan 8.290 nan 0.000 0.543 291 N N 0.447 119.255 118.700 0.180 0.000 2.120 291 N HA -0.083 4.811 4.740 0.256 0.000 0.188 291 N C 2.425 178.011 175.510 0.126 0.000 1.024 291 N CA 1.681 54.872 53.050 0.235 0.000 0.852 291 N CB -0.743 37.815 38.487 0.118 0.000 1.003 291 N HN 0.262 nan 8.380 nan 0.000 0.424 292 T N 1.411 116.036 114.554 0.118 0.000 2.746 292 T HA -0.008 4.495 4.350 0.256 0.000 0.267 292 T C 2.099 176.887 174.700 0.147 0.000 1.039 292 T CA 0.687 62.868 62.100 0.135 0.000 1.142 292 T CB -0.216 68.796 68.868 0.241 0.000 0.866 292 T HN 0.136 nan 8.240 nan 0.000 0.444 293 L N 0.586 121.878 121.223 0.115 0.000 2.027 293 L HA -0.081 4.412 4.340 0.256 0.000 0.206 293 L C 2.977 179.938 176.870 0.153 0.000 1.074 293 L CA 1.186 56.080 54.840 0.089 0.000 0.745 293 L CB -1.022 41.054 42.059 0.029 0.000 0.898 293 L HN 0.255 nan 8.230 nan 0.000 0.433 294 T N -1.226 113.442 114.554 0.190 0.000 2.746 294 T HA -0.243 4.260 4.350 0.256 0.000 0.267 294 T C 1.996 176.894 174.700 0.331 0.000 1.039 294 T CA 1.512 63.754 62.100 0.237 0.000 1.142 294 T CB -0.443 68.591 68.868 0.277 0.000 0.866 294 T HN 0.453 nan 8.240 nan 0.000 0.444 295 C N 0.509 120.056 119.300 0.411 0.000 2.440 295 C HA -0.030 4.583 4.460 0.256 0.000 0.278 295 C C 2.389 177.533 174.990 0.257 0.000 1.295 295 C CA 0.296 59.541 59.018 0.379 0.000 1.738 295 C CB -1.353 26.464 27.740 0.129 0.000 1.987 295 C HN 0.656 nan 8.230 nan 0.000 0.492 296 Y N 1.038 121.397 120.300 0.099 0.000 2.220 296 Y HA -0.043 4.664 4.550 0.261 0.000 0.291 296 Y C 2.136 178.048 175.900 0.020 0.000 1.129 296 Y CA 1.920 60.054 58.100 0.057 0.000 1.161 296 Y CB -0.607 37.872 38.460 0.032 0.000 0.997 296 Y HN 0.315 nan 8.280 nan 0.000 0.522 297 L N 1.238 122.550 121.223 0.148 0.000 1.971 297 L HA -0.232 4.261 4.340 0.256 0.000 0.215 297 L C 2.104 178.871 176.870 -0.172 0.000 1.072 297 L CA 2.182 56.977 54.840 -0.075 0.000 0.758 297 L CB -1.003 40.971 42.059 -0.143 0.000 0.889 297 L HN 0.164 nan 8.230 nan 0.000 0.433 298 K N -0.513 119.857 120.400 -0.050 0.000 2.057 298 K HA -0.069 4.405 4.320 0.256 0.000 0.207 298 K C 2.100 178.710 176.600 0.017 0.000 1.049 298 K CA 1.413 57.688 56.287 -0.018 0.000 0.931 298 K CB -0.454 32.133 32.500 0.145 0.000 0.714 298 K HN 0.527 nan 8.250 nan 0.000 0.440 299 A N 0.822 123.647 122.820 0.009 0.000 1.898 299 A HA -0.137 4.336 4.320 0.256 0.000 0.216 299 A C 2.195 179.793 177.584 0.024 0.000 1.181 299 A CA 1.738 53.799 52.037 0.041 0.000 0.620 299 A CB -0.547 18.555 19.000 0.169 0.000 0.819 299 A HN 0.166 nan 8.150 nan 0.000 0.442 300 S N -0.158 115.434 115.700 -0.179 0.000 2.370 300 S HA -0.098 4.525 4.470 0.256 0.000 0.226 300 S C 2.276 176.812 174.600 -0.105 0.000 1.033 300 S CA 1.337 59.393 58.200 -0.239 0.000 1.011 300 S CB -0.417 62.498 63.200 -0.474 0.000 0.852 300 S HN 0.795 nan 8.310 nan 0.000 0.457 301 A N 1.213 123.991 122.820 -0.069 0.000 1.929 301 A HA 0.247 4.721 4.320 0.256 0.000 0.216 301 A C 2.311 179.958 177.584 0.106 0.000 1.176 301 A CA 1.477 53.536 52.037 0.037 0.000 0.628 301 A CB -0.926 18.105 19.000 0.051 0.000 0.816 301 A HN 0.504 nan 8.150 nan 0.000 0.444 302 A N -0.782 122.103 122.820 0.108 0.000 1.969 302 A HA -0.166 4.307 4.320 0.256 0.000 0.218 302 A C 2.365 179.998 177.584 0.083 0.000 1.169 302 A CA 1.640 53.620 52.037 -0.095 0.000 0.635 302 A CB -1.373 17.205 19.000 -0.703 0.000 0.810 302 A HN 1.003 nan 8.150 nan 0.000 0.445 303 C N 0.104 119.534 119.300 0.218 0.000 2.453 303 C HA -0.056 4.558 4.460 0.256 0.000 0.277 303 C C 2.744 177.753 174.990 0.032 0.000 1.262 303 C CA 1.326 60.484 59.018 0.233 0.000 1.718 303 C CB -1.248 26.580 27.740 0.147 0.000 2.031 303 C HN 0.632 nan 8.230 nan 0.000 0.480 304 R N 1.152 121.578 120.500 -0.123 0.000 2.081 304 R HA -0.037 4.456 4.340 0.256 0.000 0.235 304 R C 2.632 178.682 176.300 -0.416 0.000 1.131 304 R CA 1.624 57.519 56.100 -0.342 0.000 0.960 304 R CB -0.695 29.237 30.300 -0.614 0.000 0.856 304 R HN 0.641 nan 8.270 nan 0.000 0.436 305 A N 1.370 123.987 122.820 -0.339 0.000 1.940 305 A HA -0.142 4.332 4.320 0.256 0.000 0.219 305 A C 2.259 179.851 177.584 0.013 0.000 1.176 305 A CA 1.879 53.892 52.037 -0.040 0.000 0.631 305 A CB -0.514 18.515 19.000 0.048 0.000 0.814 305 A HN 0.418 nan 8.150 nan 0.000 0.446 306 A N -1.738 121.097 122.820 0.026 0.000 2.218 306 A HA 0.292 4.766 4.320 0.256 0.000 0.209 306 A C 1.012 178.620 177.584 0.040 0.000 1.168 306 A CA 0.828 52.901 52.037 0.059 0.000 0.804 306 A CB -0.301 18.783 19.000 0.140 0.000 0.834 306 A HN 0.499 nan 8.150 nan 0.000 0.482 307 K N -1.447 118.964 120.400 0.018 0.000 3.117 307 K HA -0.153 4.320 4.320 0.256 0.000 0.269 307 K C -1.002 175.609 176.600 0.017 0.000 1.098 307 K CA 0.206 56.500 56.287 0.012 0.000 0.785 307 K CB -1.996 30.516 32.500 0.021 0.000 1.242 307 K HN 0.335 nan 8.250 nan 0.000 0.491 308 L N 1.610 122.850 121.223 0.028 0.000 2.453 308 L HA 0.057 4.550 4.340 0.256 0.000 0.272 308 L C 0.929 177.804 176.870 0.008 0.000 1.182 308 L CA 0.941 55.797 54.840 0.028 0.000 0.858 308 L CB 0.534 42.626 42.059 0.055 0.000 1.120 308 L HN 0.127 nan 8.230 nan 0.000 0.474 309 Q N 1.622 121.421 119.800 -0.001 0.000 2.241 309 Q HA 0.215 4.708 4.340 0.256 0.000 0.254 309 Q C -0.276 175.710 176.000 -0.024 0.000 0.917 309 Q CA -0.558 55.238 55.803 -0.012 0.000 0.919 309 Q CB 0.903 29.632 28.738 -0.015 0.000 1.237 309 Q HN 0.539 nan 8.270 nan 0.000 0.434 310 D N 1.205 121.591 120.400 -0.022 0.000 2.735 310 D HA -0.190 4.603 4.640 0.256 0.000 0.235 310 D C -1.430 174.849 176.300 -0.035 0.000 1.175 310 D CA 0.228 54.211 54.000 -0.029 0.000 0.683 310 D CB -0.832 39.943 40.800 -0.043 0.000 1.008 310 D HN 0.471 nan 8.370 nan 0.000 0.416 311 C N 1.399 120.686 119.300 -0.022 0.000 2.482 311 C HA 0.470 5.083 4.460 0.256 0.000 0.378 311 C C 0.712 175.697 174.990 -0.009 0.000 1.284 311 C CA -0.096 58.905 59.018 -0.027 0.000 1.826 311 C CB -0.008 27.721 27.740 -0.018 0.000 2.473 311 C HN 0.441 nan 8.230 nan 0.000 0.562 312 T N 6.505 121.048 114.554 -0.018 0.000 2.779 312 T HA 0.459 4.963 4.350 0.256 0.000 0.280 312 T C -0.247 174.474 174.700 0.035 0.000 0.987 312 T CA -0.261 61.867 62.100 0.045 0.000 0.966 312 T CB 1.089 69.973 68.868 0.026 0.000 0.933 312 T HN 0.547 nan 8.240 nan 0.000 0.442 313 M N 2.961 122.620 119.600 0.099 0.000 2.478 313 M HA 0.609 5.242 4.480 0.256 0.000 0.327 313 M C -1.072 175.340 176.300 0.187 0.000 1.187 313 M CA -0.966 54.379 55.300 0.076 0.000 1.022 313 M CB 1.492 34.131 32.600 0.065 0.000 1.629 313 M HN 0.371 nan 8.290 nan 0.000 0.461 314 L N 3.081 124.379 121.223 0.125 0.000 2.376 314 L HA 0.696 5.189 4.340 0.256 0.000 0.275 314 L C -1.580 175.301 176.870 0.018 0.000 0.987 314 L CA -0.489 54.426 54.840 0.124 0.000 0.828 314 L CB 1.841 44.014 42.059 0.191 0.000 1.249 314 L HN 0.453 nan 8.230 nan 0.000 0.409 315 V N 4.161 124.061 119.914 -0.023 0.000 2.531 315 V HA 0.565 4.838 4.120 0.256 0.000 0.301 315 V C -0.819 175.119 176.094 -0.261 0.000 1.034 315 V CA -0.647 61.621 62.300 -0.054 0.000 0.865 315 V CB 1.895 33.780 31.823 0.104 0.000 0.995 315 V HN 0.784 nan 8.190 nan 0.000 0.424 316 N N 3.716 122.208 118.700 -0.348 0.000 2.623 316 N HA 0.618 5.511 4.740 0.256 0.000 0.256 316 N C 0.668 176.059 175.510 -0.197 0.000 1.045 316 N CA 0.536 53.178 53.050 -0.681 0.000 0.863 316 N CB 1.722 39.701 38.487 -0.847 0.000 1.182 316 N HN 1.054 nan 8.380 nan 0.000 0.523 317 G N 2.389 111.227 108.800 0.063 0.000 2.634 317 G HA2 -0.407 3.706 3.960 0.256 0.000 0.318 317 G HA3 -0.407 3.706 3.960 0.256 0.000 0.318 317 G C 0.521 175.284 174.900 -0.229 0.000 1.207 317 G CA 0.788 45.913 45.100 0.042 0.000 0.987 317 G HN 0.628 nan 8.290 nan 0.000 0.547 318 D N 1.332 121.508 120.400 -0.373 0.000 2.339 318 D HA 0.105 4.898 4.640 0.256 0.000 0.217 318 D C 0.218 176.374 176.300 -0.241 0.000 1.050 318 D CA 0.618 54.202 54.000 -0.693 0.000 0.856 318 D CB -0.051 40.289 40.800 -0.767 0.000 0.922 318 D HN 0.410 nan 8.370 nan 0.000 0.518 319 D N 0.856 121.180 120.400 -0.127 0.000 2.280 319 D HA 0.297 5.090 4.640 0.256 0.000 0.243 319 D C -0.993 175.289 176.300 -0.031 0.000 1.129 319 D CA -0.523 53.449 54.000 -0.048 0.000 0.848 319 D CB 1.318 42.090 40.800 -0.048 0.000 1.107 319 D HN 0.069 nan 8.370 nan 0.000 0.471 320 L N 5.012 126.259 121.223 0.040 0.000 2.410 320 L HA 0.518 5.011 4.340 0.256 0.000 0.270 320 L C -1.738 175.133 176.870 0.001 0.000 0.983 320 L CA -0.671 54.202 54.840 0.054 0.000 0.822 320 L CB 1.925 44.087 42.059 0.172 0.000 1.285 320 L HN 0.140 nan 8.230 nan 0.000 0.409 321 V N 5.877 125.748 119.914 -0.072 0.000 2.656 321 V HA 0.762 5.036 4.120 0.256 0.000 0.307 321 V C -1.272 174.652 176.094 -0.283 0.000 1.051 321 V CA -0.389 61.802 62.300 -0.182 0.000 0.893 321 V CB 2.401 34.159 31.823 -0.108 0.000 0.999 321 V HN 0.596 nan 8.190 nan 0.000 0.426 322 V N 7.569 127.120 119.914 -0.604 0.000 2.495 322 V HA 0.585 4.859 4.120 0.256 0.000 0.298 322 V C -0.279 175.574 176.094 -0.402 0.000 1.031 322 V CA -0.496 61.458 62.300 -0.577 0.000 0.871 322 V CB 1.725 32.978 31.823 -0.950 0.000 0.988 322 V HN 0.728 nan 8.190 nan 0.000 0.432 323 I N 4.886 125.339 120.570 -0.195 0.000 2.406 323 I HA 0.651 4.974 4.170 0.256 0.000 0.290 323 I C 0.011 176.054 176.117 -0.123 0.000 0.999 323 I CA -0.302 60.932 61.300 -0.109 0.000 1.124 323 I CB 1.566 39.551 38.000 -0.025 0.000 1.289 323 I HN 0.888 nan 8.210 nan 0.000 0.441 324 C N 2.273 121.498 119.300 -0.124 0.000 3.259 324 C HA 0.684 5.297 4.460 0.256 0.000 0.328 324 C C -0.247 174.665 174.990 -0.131 0.000 1.425 324 C CA -0.889 58.069 59.018 -0.099 0.000 1.465 324 C CB 1.420 29.137 27.740 -0.040 0.000 1.890 324 C HN 0.727 nan 8.230 nan 0.000 0.450 325 E N 1.252 121.397 120.200 -0.092 0.000 2.259 325 E HA 0.421 4.925 4.350 0.256 0.000 0.281 325 E C 0.005 176.576 176.600 -0.049 0.000 1.037 325 E CA 0.456 56.802 56.400 -0.090 0.000 0.854 325 E CB 1.028 30.688 29.700 -0.066 0.000 1.051 325 E HN 0.767 nan 8.360 nan 0.000 0.409 326 S N 3.109 118.787 115.700 -0.036 0.000 2.510 326 S HA 0.325 4.948 4.470 0.256 0.000 0.279 326 S C 0.454 175.062 174.600 0.015 0.000 1.284 326 S CA 0.088 58.310 58.200 0.037 0.000 1.059 326 S CB 0.547 63.828 63.200 0.135 0.000 0.901 326 S HN 0.587 nan 8.310 nan 0.000 0.491 327 A N 4.029 126.862 122.820 0.023 0.000 2.415 327 A HA 0.618 5.091 4.320 0.256 0.000 0.248 327 A C 0.999 178.587 177.584 0.007 0.000 1.299 327 A CA 0.231 52.273 52.037 0.008 0.000 0.899 327 A CB -1.083 17.921 19.000 0.007 0.000 0.997 327 A HN 1.776 nan 8.150 nan 0.000 0.506 328 G N -2.136 106.672 108.800 0.013 0.000 2.539 328 G HA2 -0.024 4.089 3.960 0.256 0.000 0.686 328 G HA3 -0.024 4.089 3.960 0.256 0.000 0.686 328 G C 0.336 175.245 174.900 0.014 0.000 1.258 328 G CA -0.218 44.877 45.100 -0.009 0.000 0.846 328 G HN 0.358 nan 8.290 nan 0.000 0.647 329 T N 0.630 115.163 114.554 -0.034 0.000 2.833 329 T HA -0.114 4.390 4.350 0.256 0.000 0.269 329 T C 2.311 177.036 174.700 0.042 0.000 1.054 329 T CA 2.116 64.212 62.100 -0.007 0.000 1.135 329 T CB -0.118 68.687 68.868 -0.105 0.000 0.869 329 T HN 0.508 nan 8.240 nan 0.000 0.466 330 Q N 0.745 120.554 119.800 0.014 0.000 2.163 330 Q HA 0.018 4.511 4.340 0.256 0.000 0.198 330 Q C 2.241 178.250 176.000 0.015 0.000 0.954 330 Q CA 1.011 56.822 55.803 0.013 0.000 0.851 330 Q CB -0.181 28.558 28.738 0.002 0.000 0.928 330 Q HN 0.577 nan 8.270 nan 0.000 0.459 331 E N 0.929 121.139 120.200 0.015 0.000 2.204 331 E HA -0.135 4.368 4.350 0.256 0.000 0.194 331 E C 1.353 177.962 176.600 0.015 0.000 0.989 331 E CA 0.954 57.362 56.400 0.013 0.000 0.824 331 E CB 0.013 29.719 29.700 0.011 0.000 0.756 331 E HN 0.266 nan 8.360 nan 0.000 0.477 332 D N 0.269 120.691 120.400 0.037 0.000 2.091 332 D HA -0.062 4.731 4.640 0.256 0.000 0.199 332 D C 1.919 178.211 176.300 -0.013 0.000 0.980 332 D CA 1.548 55.569 54.000 0.036 0.000 0.831 332 D CB -0.453 40.429 40.800 0.136 0.000 0.987 332 D HN 0.194 nan 8.370 nan 0.000 0.460 333 A N 0.898 123.725 122.820 0.012 0.000 1.940 333 A HA -0.082 4.391 4.320 0.256 0.000 0.219 333 A C 2.256 179.824 177.584 -0.028 0.000 1.176 333 A CA 2.360 54.389 52.037 -0.014 0.000 0.631 333 A CB -0.782 18.225 19.000 0.012 0.000 0.814 333 A HN 0.239 nan 8.150 nan 0.000 0.446 334 A N -1.046 121.767 122.820 -0.013 0.000 1.898 334 A HA -0.034 4.439 4.320 0.256 0.000 0.216 334 A C 2.428 180.002 177.584 -0.015 0.000 1.181 334 A CA 1.920 53.951 52.037 -0.010 0.000 0.620 334 A CB -0.828 18.171 19.000 -0.002 0.000 0.819 334 A HN 0.424 nan 8.150 nan 0.000 0.442 335 S N -0.546 115.141 115.700 -0.021 0.000 2.423 335 S HA -0.004 4.619 4.470 0.256 0.000 0.231 335 S C 1.744 176.322 174.600 -0.037 0.000 1.014 335 S CA 0.963 59.154 58.200 -0.015 0.000 0.965 335 S CB -0.335 62.858 63.200 -0.012 0.000 0.785 335 S HN 0.499 nan 8.310 nan 0.000 0.495 336 L N 0.519 121.670 121.223 -0.120 0.000 2.156 336 L HA 0.008 4.501 4.340 0.256 0.000 0.208 336 L C 2.509 179.353 176.870 -0.044 0.000 1.095 336 L CA 0.913 55.624 54.840 -0.214 0.000 0.770 336 L CB -0.188 41.654 42.059 -0.360 0.000 0.914 336 L HN 0.202 nan 8.230 nan 0.000 0.439 337 R N -1.065 119.422 120.500 -0.022 0.000 2.092 337 R HA -0.109 4.385 4.340 0.256 0.000 0.231 337 R C 2.124 178.435 176.300 0.019 0.000 1.119 337 R CA 1.050 57.156 56.100 0.009 0.000 0.970 337 R CB -0.285 30.014 30.300 -0.002 0.000 0.864 337 R HN 0.177 nan 8.270 nan 0.000 0.440 338 V N 0.442 120.367 119.914 0.020 0.000 2.379 338 V HA -0.204 4.069 4.120 0.256 0.000 0.245 338 V C 1.865 177.968 176.094 0.015 0.000 1.044 338 V CA 1.523 63.829 62.300 0.010 0.000 1.036 338 V CB -0.549 31.283 31.823 0.015 0.000 0.664 338 V HN 0.215 nan 8.190 nan 0.000 0.453 339 F N 1.645 121.543 119.950 -0.088 0.000 2.120 339 F HA -0.262 4.417 4.527 0.254 0.000 0.300 339 F C 2.385 178.114 175.800 -0.120 0.000 1.095 339 F CA 2.384 60.325 58.000 -0.098 0.000 1.249 339 F CB -0.466 38.474 39.000 -0.100 0.000 0.995 339 F HN 0.112 nan 8.300 nan 0.000 0.480 340 T N -0.087 114.524 114.554 0.096 0.000 2.777 340 T HA -0.174 4.329 4.350 0.256 0.000 0.266 340 T C 1.688 176.367 174.700 -0.035 0.000 1.040 340 T CA 1.699 63.861 62.100 0.104 0.000 1.141 340 T CB -0.293 68.718 68.868 0.238 0.000 0.868 340 T HN 0.385 nan 8.240 nan 0.000 0.444 341 E N 0.940 121.100 120.200 -0.066 0.000 2.077 341 E HA -0.046 4.458 4.350 0.256 0.000 0.193 341 E C 2.533 178.996 176.600 -0.228 0.000 0.989 341 E CA 0.968 57.303 56.400 -0.109 0.000 0.800 341 E CB -0.212 29.439 29.700 -0.081 0.000 0.746 341 E HN 0.459 nan 8.360 nan 0.000 0.452 342 A N 1.177 123.808 122.820 -0.314 0.000 1.877 342 A HA -0.219 4.255 4.320 0.256 0.000 0.216 342 A C 2.162 179.309 177.584 -0.728 0.000 1.186 342 A CA 1.421 53.123 52.037 -0.558 0.000 0.620 342 A CB -0.380 18.346 19.000 -0.457 0.000 0.822 342 A HN 0.129 nan 8.150 nan 0.000 0.443 343 M N -0.324 118.966 119.600 -0.517 0.000 2.080 343 M HA -0.133 4.500 4.480 0.256 0.000 0.260 343 M C 2.257 178.483 176.300 -0.124 0.000 1.068 343 M CA 2.218 57.334 55.300 -0.307 0.000 1.109 343 M CB -2.050 30.284 32.600 -0.443 0.000 1.342 343 M HN 0.482 nan 8.290 nan 0.000 0.405 344 T N 0.164 114.655 114.554 -0.105 0.000 2.665 344 T HA -0.175 4.328 4.350 0.256 0.000 0.268 344 T C 1.970 176.611 174.700 -0.099 0.000 1.035 344 T CA 1.343 63.411 62.100 -0.054 0.000 1.151 344 T CB -0.315 68.527 68.868 -0.043 0.000 0.862 344 T HN 0.366 nan 8.240 nan 0.000 0.438 345 R N -0.109 120.263 120.500 -0.213 0.000 2.127 345 R HA -0.097 4.396 4.340 0.256 0.000 0.238 345 R C 1.782 178.010 176.300 -0.120 0.000 1.134 345 R CA 1.276 57.242 56.100 -0.225 0.000 0.975 345 R CB -0.295 29.787 30.300 -0.363 0.000 0.865 345 R HN 0.465 nan 8.270 nan 0.000 0.447 346 Y N -0.287 119.961 120.300 -0.087 0.000 2.490 346 Y HA 0.100 4.803 4.550 0.256 0.000 0.281 346 Y C 0.832 176.689 175.900 -0.072 0.000 1.174 346 Y CA -0.146 57.896 58.100 -0.096 0.000 1.295 346 Y CB -0.053 38.380 38.460 -0.044 0.000 1.062 346 Y HN -0.034 nan 8.280 nan 0.000 0.522 347 S N -0.033 115.711 115.700 0.073 0.000 4.064 347 S HA -0.052 4.572 4.470 0.256 0.000 0.405 347 S C -0.170 174.458 174.600 0.047 0.000 0.923 347 S CA 0.430 58.658 58.200 0.047 0.000 1.172 347 S CB -1.443 61.773 63.200 0.026 0.000 0.833 347 S HN 0.816 nan 8.310 nan 0.000 0.528 348 A N 1.893 124.762 122.820 0.082 0.000 3.474 348 A HA 0.578 5.051 4.320 0.256 0.000 0.251 348 A C -2.392 175.328 177.584 0.227 0.000 1.062 348 A CA -0.512 51.613 52.037 0.146 0.000 0.945 348 A CB 0.898 20.024 19.000 0.210 0.000 1.296 348 A HN 0.457 nan 8.150 nan 0.000 0.592 349 P HA 0.367 nan 4.420 nan 0.000 0.274 349 P C -2.917 174.444 177.300 0.102 0.000 1.237 349 P CA -1.093 62.077 63.100 0.116 0.000 0.793 349 P CB 0.643 32.344 31.700 0.001 0.000 0.977 350 P HA 0.153 nan 4.420 nan 0.000 0.282 350 P C 0.670 177.906 177.300 -0.108 0.000 1.259 350 P CA -0.074 62.914 63.100 -0.187 0.000 0.826 350 P CB 0.902 32.426 31.700 -0.293 0.000 1.064 351 G N 0.950 109.681 108.800 -0.115 0.000 2.624 351 G HA2 -0.001 4.112 3.960 0.256 0.000 0.216 351 G HA3 -0.001 4.112 3.960 0.256 0.000 0.216 351 G C -0.079 174.781 174.900 -0.066 0.000 1.274 351 G CA 0.179 45.240 45.100 -0.065 0.000 0.856 351 G HN 0.458 nan 8.290 nan 0.000 0.555 352 D N 2.260 122.616 120.400 -0.072 0.000 2.350 352 D HA 0.290 5.083 4.640 0.256 0.000 0.249 352 D C -2.098 174.158 176.300 -0.074 0.000 1.119 352 D CA -0.950 53.016 54.000 -0.055 0.000 0.886 352 D CB 1.393 42.170 40.800 -0.038 0.000 1.195 352 D HN 0.097 nan 8.370 nan 0.000 0.437 353 P HA 0.161 nan 4.420 nan 0.000 0.271 353 P C -2.409 174.893 177.300 0.005 0.000 1.216 353 P CA -1.118 61.974 63.100 -0.014 0.000 0.776 353 P CB -0.174 31.526 31.700 0.000 0.000 0.881 354 P HA 0.065 nan 4.420 nan 0.000 0.268 354 P C -0.478 176.820 177.300 -0.002 0.000 1.205 354 P CA 0.181 63.326 63.100 0.076 0.000 0.771 354 P CB 0.628 32.389 31.700 0.101 0.000 0.858 355 Q N 2.419 122.236 119.800 0.028 0.000 2.337 355 Q HA 0.452 4.945 4.340 0.256 0.000 0.270 355 Q C -2.409 173.598 176.000 0.012 0.000 1.043 355 Q CA -1.761 54.047 55.803 0.008 0.000 0.794 355 Q CB 2.084 30.839 28.738 0.029 0.000 1.281 355 Q HN 0.509 nan 8.270 nan 0.000 0.446 356 P HA 0.335 nan 4.420 nan 0.000 0.275 356 P C -0.731 176.465 177.300 -0.174 0.000 1.227 356 P CA -0.238 62.795 63.100 -0.111 0.000 0.781 356 P CB 0.895 32.515 31.700 -0.133 0.000 0.906 357 E N 1.787 121.817 120.200 -0.283 0.000 2.272 357 E HA 0.213 4.716 4.350 0.256 0.000 0.269 357 E C -0.677 175.772 176.600 -0.250 0.000 0.877 357 E CA -0.396 55.901 56.400 -0.173 0.000 0.755 357 E CB 1.662 31.359 29.700 -0.005 0.000 1.192 357 E HN 0.443 nan 8.360 nan 0.000 0.422 358 Y N -0.196 120.262 120.300 0.264 0.000 2.557 358 Y HA 0.176 4.880 4.550 0.257 0.000 0.247 358 Y C 0.244 176.415 175.900 0.452 0.000 1.164 358 Y CA -0.401 57.901 58.100 0.337 0.000 1.218 358 Y CB 0.979 39.532 38.460 0.154 0.000 1.210 358 Y HN 0.277 nan 8.280 nan 0.000 0.529 359 D N 0.237 120.835 120.400 0.329 0.000 2.549 359 D HA 0.140 4.934 4.640 0.256 0.000 0.251 359 D C 0.647 176.733 176.300 -0.357 0.000 1.153 359 D CA -0.387 53.654 54.000 0.069 0.000 0.861 359 D CB 1.667 42.499 40.800 0.054 0.000 1.207 359 D HN 0.062 nan 8.370 nan 0.000 0.543 360 L N 4.153 124.792 121.223 -0.975 0.000 2.043 360 L HA -0.094 4.399 4.340 0.256 0.000 0.212 360 L C 1.467 177.989 176.870 -0.580 0.000 1.075 360 L CA 1.979 56.059 54.840 -1.267 0.000 0.752 360 L CB -0.372 40.719 42.059 -1.615 0.000 0.891 360 L HN 0.554 nan 8.230 nan 0.000 0.432 361 E N -0.863 119.109 120.200 -0.379 0.000 2.515 361 E HA -0.124 4.379 4.350 0.256 0.000 0.201 361 E C 1.762 178.271 176.600 -0.152 0.000 1.071 361 E CA 0.437 56.707 56.400 -0.217 0.000 0.880 361 E CB -0.123 29.498 29.700 -0.132 0.000 0.828 361 E HN 0.548 nan 8.360 nan 0.000 0.540 362 L N 0.310 121.439 121.223 -0.158 0.000 2.664 362 L HA 0.227 4.720 4.340 0.256 0.000 0.233 362 L C 0.496 177.317 176.870 -0.082 0.000 1.113 362 L CA -0.203 54.584 54.840 -0.088 0.000 0.896 362 L CB 0.505 42.538 42.059 -0.044 0.000 1.163 362 L HN 0.036 nan 8.230 nan 0.000 0.497 363 I N 0.181 120.674 120.570 -0.128 0.000 2.352 363 I HA 0.081 4.405 4.170 0.256 0.000 0.290 363 I C 0.093 176.165 176.117 -0.076 0.000 1.036 363 I CA 0.235 61.480 61.300 -0.093 0.000 1.336 363 I CB 1.111 39.039 38.000 -0.120 0.000 1.407 363 I HN -0.098 nan 8.210 nan 0.000 0.497 364 T N 5.338 119.869 114.554 -0.038 0.000 2.743 364 T HA 0.412 4.915 4.350 0.256 0.000 0.292 364 T C -0.127 174.568 174.700 -0.008 0.000 0.972 364 T CA -0.553 61.534 62.100 -0.021 0.000 0.967 364 T CB 0.665 69.527 68.868 -0.010 0.000 0.926 364 T HN 0.747 nan 8.240 nan 0.000 0.459 365 S N 1.143 116.840 115.700 -0.006 0.000 2.547 365 S HA 0.416 5.039 4.470 0.256 0.000 0.281 365 S C 0.145 174.759 174.600 0.025 0.000 1.118 365 S CA -0.806 57.395 58.200 0.001 0.000 0.947 365 S CB 0.655 63.841 63.200 -0.023 0.000 1.053 365 S HN 0.867 nan 8.310 nan 0.000 0.482 366 C N 2.197 121.516 119.300 0.031 0.000 4.235 366 C HA -0.162 4.452 4.460 0.256 0.000 0.301 366 C C 1.380 176.442 174.990 0.121 0.000 1.409 366 C CA 0.720 59.781 59.018 0.073 0.000 2.024 366 C CB -3.288 24.495 27.740 0.071 0.000 1.286 366 C HN 1.621 nan 8.230 nan 0.000 0.746 367 S N -1.623 114.130 115.700 0.088 0.000 3.358 367 S HA -0.199 4.424 4.470 0.256 0.000 0.309 367 S C 0.280 174.927 174.600 0.079 0.000 1.247 367 S CA 1.323 59.571 58.200 0.079 0.000 0.961 367 S CB -0.730 62.531 63.200 0.101 0.000 1.074 367 S HN 1.022 nan 8.310 nan 0.000 0.625 368 S N 1.674 117.429 115.700 0.091 0.000 2.599 368 S HA 0.735 5.358 4.470 0.256 0.000 0.287 368 S C -0.440 174.184 174.600 0.039 0.000 1.105 368 S CA -0.933 57.335 58.200 0.114 0.000 0.899 368 S CB 1.814 65.151 63.200 0.229 0.000 1.100 368 S HN 0.588 nan 8.310 nan 0.000 0.482 369 N N -0.407 118.302 118.700 0.015 0.000 2.329 369 N HA 0.458 5.352 4.740 0.256 0.000 0.282 369 N C -1.339 174.111 175.510 -0.100 0.000 1.198 369 N CA -0.603 52.413 53.050 -0.057 0.000 0.790 369 N CB 1.142 39.585 38.487 -0.072 0.000 1.579 369 N HN 0.317 nan 8.380 nan 0.000 0.475 370 V N 0.582 120.403 119.914 -0.155 0.000 2.811 370 V HA 0.344 4.617 4.120 0.256 0.000 0.302 370 V C 0.581 176.539 176.094 -0.226 0.000 1.063 370 V CA 0.093 62.274 62.300 -0.199 0.000 1.088 370 V CB 1.004 32.703 31.823 -0.208 0.000 0.982 370 V HN 0.840 nan 8.190 nan 0.000 0.485 371 S N 1.973 117.454 115.700 -0.364 0.000 2.685 371 S HA 0.738 5.362 4.470 0.256 0.000 0.282 371 S C -1.333 173.137 174.600 -0.216 0.000 1.159 371 S CA -0.453 57.564 58.200 -0.305 0.000 0.833 371 S CB 2.066 65.048 63.200 -0.364 0.000 1.151 371 S HN 0.629 nan 8.310 nan 0.000 0.485 372 V N 1.538 121.430 119.914 -0.037 0.000 2.540 372 V HA 0.943 5.216 4.120 0.256 0.000 0.302 372 V C -0.136 175.959 176.094 0.000 0.000 1.035 372 V CA 0.173 62.409 62.300 -0.108 0.000 0.873 372 V CB 0.936 32.557 31.823 -0.337 0.000 0.992 372 V HN 1.154 nan 8.190 nan 0.000 0.428 373 A N 4.723 127.448 122.820 -0.160 0.000 2.486 373 A HA 0.949 5.422 4.320 0.256 0.000 0.277 373 A C -1.469 175.696 177.584 -0.698 0.000 1.282 373 A CA -0.563 51.215 52.037 -0.433 0.000 0.784 373 A CB 1.544 20.122 19.000 -0.704 0.000 1.350 373 A HN 0.983 nan 8.150 nan 0.000 0.454 374 H N 0.057 118.802 119.070 -0.543 0.000 2.600 374 H HA 0.477 5.188 4.556 0.257 0.000 0.357 374 H C -0.786 174.250 175.328 -0.486 0.000 1.106 374 H CA -0.412 55.325 56.048 -0.518 0.000 1.193 374 H CB 1.346 30.729 29.762 -0.632 0.000 1.594 374 H HN 0.792 nan 8.280 nan 0.000 0.526 375 D N 1.005 121.327 120.400 -0.129 0.000 2.440 375 D HA 0.205 4.999 4.640 0.256 0.000 0.269 375 D C 0.997 177.391 176.300 0.157 0.000 1.249 375 D CA -0.588 53.407 54.000 -0.010 0.000 1.055 375 D CB 0.243 41.035 40.800 -0.014 0.000 1.104 375 D HN 0.512 nan 8.370 nan 0.000 0.561 376 A N -0.968 121.936 122.820 0.140 0.000 2.255 376 A HA 0.087 4.561 4.320 0.256 0.000 0.206 376 A C 1.400 179.047 177.584 0.104 0.000 1.193 376 A CA 0.443 52.560 52.037 0.134 0.000 0.794 376 A CB -0.655 18.393 19.000 0.080 0.000 0.794 376 A HN 0.358 nan 8.150 nan 0.000 0.481 377 S N -2.614 113.150 115.700 0.106 0.000 2.632 377 S HA 0.412 5.036 4.470 0.256 0.000 0.237 377 S C 1.327 175.976 174.600 0.082 0.000 1.037 377 S CA 0.581 58.825 58.200 0.073 0.000 1.009 377 S CB 0.734 63.962 63.200 0.046 0.000 0.974 377 S HN 1.477 nan 8.310 nan 0.000 0.544 378 G N 2.152 111.024 108.800 0.121 0.000 2.195 378 G HA2 -0.251 3.862 3.960 0.256 0.000 0.224 378 G HA3 -0.251 3.862 3.960 0.256 0.000 0.224 378 G C 0.070 175.039 174.900 0.115 0.000 0.990 378 G CA 0.031 45.191 45.100 0.099 0.000 0.639 378 G HN 0.443 nan 8.290 nan 0.000 0.514 379 K N 1.188 121.624 120.400 0.061 0.000 2.401 379 K HA 0.380 4.853 4.320 0.256 0.000 0.278 379 K C 0.745 177.302 176.600 -0.071 0.000 1.018 379 K CA -0.450 55.845 56.287 0.013 0.000 0.981 379 K CB 0.230 32.724 32.500 -0.010 0.000 0.933 379 K HN 0.298 nan 8.250 nan 0.000 0.477 380 R N 2.200 122.607 120.500 -0.156 0.000 2.449 380 R HA 0.132 4.625 4.340 0.256 0.000 0.296 380 R C -0.867 175.175 176.300 -0.430 0.000 1.047 380 R CA -0.235 55.597 56.100 -0.446 0.000 1.018 380 R CB 0.784 30.840 30.300 -0.406 0.000 0.962 380 R HN 0.265 nan 8.270 nan 0.000 0.428 381 V N 5.306 124.921 119.914 -0.499 0.000 2.483 381 V HA 0.245 4.518 4.120 0.256 0.000 0.297 381 V C -1.008 174.923 176.094 -0.273 0.000 1.027 381 V CA -0.862 61.258 62.300 -0.301 0.000 0.855 381 V CB 1.328 33.043 31.823 -0.180 0.000 0.995 381 V HN 0.588 nan 8.190 nan 0.000 0.424 382 Y N 5.568 125.865 120.300 -0.005 0.000 2.304 382 Y HA 0.657 5.360 4.550 0.254 0.000 0.328 382 Y C 0.011 175.963 175.900 0.088 0.000 1.123 382 Y CA -0.316 57.782 58.100 -0.003 0.000 1.218 382 Y CB 1.086 39.500 38.460 -0.077 0.000 1.207 382 Y HN 0.726 nan 8.280 nan 0.000 0.495 383 Y N 0.442 120.805 120.300 0.104 0.000 2.638 383 Y HA 0.658 5.359 4.550 0.252 0.000 0.335 383 Y C -2.261 173.696 175.900 0.094 0.000 1.155 383 Y CA -1.909 56.231 58.100 0.067 0.000 1.046 383 Y CB 0.723 39.199 38.460 0.027 0.000 1.303 383 Y HN 0.482 nan 8.280 nan 0.000 0.460 384 L N 2.394 123.679 121.223 0.103 0.000 2.292 384 L HA 0.734 5.228 4.340 0.256 0.000 0.284 384 L C 0.060 177.128 176.870 0.330 0.000 1.065 384 L CA 0.398 55.296 54.840 0.096 0.000 0.806 384 L CB 1.425 43.567 42.059 0.139 0.000 1.175 384 L HN 1.021 nan 8.230 nan 0.000 0.431 385 T N 4.306 119.002 114.554 0.237 0.000 2.804 385 T HA 0.859 5.362 4.350 0.256 0.000 0.290 385 T C -1.183 173.626 174.700 0.182 0.000 1.099 385 T CA -0.665 61.647 62.100 0.355 0.000 1.011 385 T CB 1.151 70.202 68.868 0.305 0.000 1.291 385 T HN 0.810 nan 8.240 nan 0.000 0.523 386 R N 0.567 121.101 120.500 0.057 0.000 2.716 386 R HA 0.464 4.957 4.340 0.256 0.000 0.271 386 R C -1.454 174.637 176.300 -0.349 0.000 1.028 386 R CA -1.006 55.004 56.100 -0.150 0.000 0.883 386 R CB 0.504 30.654 30.300 -0.250 0.000 1.250 386 R HN 0.523 nan 8.270 nan 0.000 0.465 387 D N 1.934 122.151 120.400 -0.306 0.000 2.487 387 D HA 0.034 4.828 4.640 0.256 0.000 0.243 387 D C -1.410 174.520 176.300 -0.617 0.000 1.154 387 D CA -1.109 52.667 54.000 -0.374 0.000 0.876 387 D CB 1.233 41.908 40.800 -0.208 0.000 1.161 387 D HN 0.337 nan 8.370 nan 0.000 0.478 388 P HA 0.037 nan 4.420 nan 0.000 0.249 388 P C 1.159 178.172 177.300 -0.479 0.000 1.229 388 P CA 0.075 62.545 63.100 -1.050 0.000 0.788 388 P CB 0.285 31.248 31.700 -1.228 0.000 1.072 389 T N -0.280 114.094 114.554 -0.300 0.000 2.597 389 T HA -0.159 4.344 4.350 0.256 0.000 0.267 389 T C 1.680 176.328 174.700 -0.086 0.000 1.053 389 T CA 2.496 64.514 62.100 -0.137 0.000 1.165 389 T CB -1.114 67.712 68.868 -0.071 0.000 0.863 389 T HN 0.209 nan 8.240 nan 0.000 0.427 390 T N 1.960 116.462 114.554 -0.085 0.000 2.770 390 T HA -0.020 4.483 4.350 0.256 0.000 0.263 390 T C -0.576 174.093 174.700 -0.051 0.000 1.039 390 T CA 0.963 63.040 62.100 -0.038 0.000 1.142 390 T CB -1.236 67.646 68.868 0.022 0.000 0.868 390 T HN 0.320 nan 8.240 nan 0.000 0.435 391 P HA -0.075 nan 4.420 nan 0.000 0.216 391 P C 1.427 178.777 177.300 0.083 0.000 1.154 391 P CA 1.129 64.247 63.100 0.030 0.000 0.865 391 P CB -0.225 31.471 31.700 -0.006 0.000 0.789 392 L N -1.840 119.389 121.223 0.010 0.000 2.179 392 L HA -0.034 4.459 4.340 0.256 0.000 0.208 392 L C 2.513 179.433 176.870 0.083 0.000 1.096 392 L CA 1.143 56.015 54.840 0.052 0.000 0.779 392 L CB -1.095 40.958 42.059 -0.011 0.000 0.922 392 L HN -0.074 nan 8.230 nan 0.000 0.443 393 A N 0.572 123.429 122.820 0.061 0.000 1.877 393 A HA -0.213 4.260 4.320 0.256 0.000 0.216 393 A C 2.396 180.058 177.584 0.129 0.000 1.186 393 A CA 1.568 53.660 52.037 0.092 0.000 0.620 393 A CB -0.446 18.581 19.000 0.045 0.000 0.822 393 A HN 0.304 nan 8.150 nan 0.000 0.443 394 R N -0.591 119.954 120.500 0.075 0.000 2.092 394 R HA -0.030 4.464 4.340 0.256 0.000 0.231 394 R C 2.451 178.908 176.300 0.262 0.000 1.119 394 R CA 1.131 57.292 56.100 0.102 0.000 0.970 394 R CB -0.442 29.862 30.300 0.006 0.000 0.864 394 R HN 0.513 nan 8.270 nan 0.000 0.440 395 A N 1.188 124.190 122.820 0.303 0.000 1.933 395 A HA -0.107 4.366 4.320 0.256 0.000 0.218 395 A C 2.348 180.195 177.584 0.439 0.000 1.175 395 A CA 1.643 53.985 52.037 0.508 0.000 0.628 395 A CB -0.608 18.723 19.000 0.551 0.000 0.814 395 A HN 0.393 nan 8.150 nan 0.000 0.444 396 A N -1.484 121.495 122.820 0.265 0.000 1.933 396 A HA -0.174 4.300 4.320 0.256 0.000 0.218 396 A C 2.090 179.795 177.584 0.202 0.000 1.175 396 A CA 1.332 53.476 52.037 0.179 0.000 0.628 396 A CB -0.772 18.314 19.000 0.144 0.000 0.814 396 A HN 0.827 nan 8.150 nan 0.000 0.444 397 W N 0.924 122.273 121.300 0.082 0.000 2.381 397 W HA -0.115 4.699 4.660 0.257 0.000 0.301 397 W C 1.671 178.236 176.519 0.077 0.000 1.205 397 W CA 1.814 59.189 57.345 0.051 0.000 1.285 397 W CB -0.263 29.210 29.460 0.021 0.000 1.133 397 W HN 0.549 nan 8.180 nan 0.000 0.521 398 E N -0.732 119.720 120.200 0.421 0.000 2.347 398 E HA -0.136 4.368 4.350 0.256 0.000 0.196 398 E C 1.942 178.706 176.600 0.272 0.000 1.008 398 E CA 1.494 58.110 56.400 0.360 0.000 0.852 398 E CB -0.210 29.762 29.700 0.453 0.000 0.783 398 E HN 0.053 nan 8.360 nan 0.000 0.505 399 T N 0.330 115.034 114.554 0.250 0.000 2.788 399 T HA -0.133 4.371 4.350 0.256 0.000 0.268 399 T C 1.742 176.424 174.700 -0.030 0.000 1.044 399 T CA 1.382 63.543 62.100 0.102 0.000 1.139 399 T CB 0.006 68.955 68.868 0.135 0.000 0.867 399 T HN 0.253 nan 8.240 nan 0.000 0.454 400 A N -0.164 122.610 122.820 -0.076 0.000 2.324 400 A HA 0.355 4.828 4.320 0.256 0.000 0.220 400 A C 0.896 178.375 177.584 -0.176 0.000 1.209 400 A CA -0.137 51.809 52.037 -0.151 0.000 0.918 400 A CB 0.559 19.432 19.000 -0.212 0.000 0.959 400 A HN 0.084 nan 8.150 nan 0.000 0.507 401 R N 0.401 120.813 120.500 -0.146 0.000 2.575 401 R HA 0.358 4.851 4.340 0.256 0.000 0.293 401 R C -1.657 174.611 176.300 -0.053 0.000 0.983 401 R CA -0.517 55.534 56.100 -0.082 0.000 0.887 401 R CB 0.916 31.208 30.300 -0.014 0.000 1.184 401 R HN 0.483 nan 8.270 nan 0.000 0.445 402 H N 0.802 119.935 119.070 0.105 0.000 2.803 402 H HA 0.163 4.872 4.556 0.255 0.000 0.330 402 H C 0.517 175.912 175.328 0.113 0.000 1.057 402 H CA 0.771 56.885 56.048 0.110 0.000 1.458 402 H CB 0.818 30.621 29.762 0.067 0.000 1.470 402 H HN 0.519 nan 8.280 nan 0.000 0.560 403 T N 0.335 115.022 114.554 0.222 0.000 2.907 403 T HA 0.258 4.761 4.350 0.256 0.000 0.292 403 T C -1.713 173.031 174.700 0.074 0.000 1.043 403 T CA -2.087 60.097 62.100 0.140 0.000 1.003 403 T CB 1.708 70.660 68.868 0.139 0.000 1.084 403 T HN 0.248 nan 8.240 nan 0.000 0.483 404 P HA 0.070 nan 4.420 nan 0.000 0.216 404 P C -0.129 177.171 177.300 -0.000 0.000 1.150 404 P CA 0.500 63.593 63.100 -0.012 0.000 0.837 404 P CB 0.072 31.757 31.700 -0.025 0.000 0.786 405 V N 1.335 121.241 119.914 -0.014 0.000 2.376 405 V HA 0.204 4.477 4.120 0.256 0.000 0.287 405 V C -0.151 175.904 176.094 -0.065 0.000 1.015 405 V CA -0.834 61.439 62.300 -0.045 0.000 0.834 405 V CB 1.312 33.102 31.823 -0.054 0.000 1.001 405 V HN 0.018 nan 8.190 nan 0.000 0.428 406 N N 3.286 121.903 118.700 -0.137 0.000 2.605 406 N HA 0.032 4.925 4.740 0.256 0.000 0.258 406 N C 1.510 176.795 175.510 -0.375 0.000 1.156 406 N CA 0.270 53.164 53.050 -0.260 0.000 1.008 406 N CB 1.503 39.717 38.487 -0.455 0.000 1.354 406 N HN 0.840 nan 8.380 nan 0.000 0.509 407 S N 2.018 117.622 115.700 -0.160 0.000 2.400 407 S HA -0.133 4.491 4.470 0.256 0.000 0.232 407 S C 1.841 176.382 174.600 -0.099 0.000 1.025 407 S CA 0.351 58.493 58.200 -0.096 0.000 0.993 407 S CB -0.412 62.785 63.200 -0.005 0.000 0.808 407 S HN 0.792 nan 8.310 nan 0.000 0.478 408 W N 1.250 122.449 121.300 -0.167 0.000 2.363 408 W HA 0.011 4.827 4.660 0.261 0.000 0.296 408 W C 1.701 178.111 176.519 -0.181 0.000 1.212 408 W CA 0.427 57.623 57.345 -0.248 0.000 1.260 408 W CB -1.017 27.950 29.460 -0.821 0.000 1.131 408 W HN 0.356 nan 8.180 nan 0.000 0.530 409 L N 2.956 123.467 121.223 -1.186 0.000 2.056 409 L HA 0.131 4.624 4.340 0.256 0.000 0.207 409 L C 2.630 179.281 176.870 -0.365 0.000 1.078 409 L CA 2.802 57.045 54.840 -0.996 0.000 0.749 409 L CB -1.399 39.877 42.059 -1.303 0.000 0.901 409 L HN 0.051 nan 8.230 nan 0.000 0.433 410 G N -0.869 107.753 108.800 -0.296 0.000 2.422 410 G HA2 -0.260 3.853 3.960 0.256 0.000 0.218 410 G HA3 -0.260 3.853 3.960 0.256 0.000 0.218 410 G C 1.460 176.356 174.900 -0.006 0.000 1.140 410 G CA 0.609 45.622 45.100 -0.145 0.000 0.775 410 G HN 0.437 nan 8.290 nan 0.000 0.545 411 N N 0.515 119.265 118.700 0.083 0.000 2.244 411 N HA -0.001 4.892 4.740 0.256 0.000 0.183 411 N C 2.191 177.814 175.510 0.190 0.000 1.016 411 N CA 0.579 53.794 53.050 0.275 0.000 0.866 411 N CB -0.043 38.669 38.487 0.376 0.000 0.980 411 N HN 0.333 nan 8.380 nan 0.000 0.430 412 I N 0.829 121.468 120.570 0.114 0.000 2.353 412 I HA -0.165 4.158 4.170 0.256 0.000 0.248 412 I C 2.032 178.183 176.117 0.056 0.000 1.119 412 I CA 0.664 62.016 61.300 0.087 0.000 1.417 412 I CB -0.058 38.059 38.000 0.195 0.000 1.078 412 I HN 0.025 nan 8.210 nan 0.000 0.421 413 I N -0.005 120.603 120.570 0.063 0.000 2.202 413 I HA -0.292 4.031 4.170 0.256 0.000 0.242 413 I C 2.522 178.731 176.117 0.153 0.000 1.091 413 I CA 1.266 62.638 61.300 0.119 0.000 1.368 413 I CB -0.223 37.827 38.000 0.082 0.000 1.058 413 I HN 0.213 nan 8.210 nan 0.000 0.410 414 M N -0.568 119.030 119.600 -0.002 0.000 2.200 414 M HA -0.119 4.515 4.480 0.256 0.000 0.265 414 M C 0.962 177.001 176.300 -0.435 0.000 1.066 414 M CA 1.775 56.941 55.300 -0.223 0.000 1.127 414 M CB -0.651 31.689 32.600 -0.432 0.000 1.379 414 M HN 0.192 nan 8.290 nan 0.000 0.420 415 Y N -0.818 119.454 120.300 -0.047 0.000 2.699 415 Y HA 0.487 5.199 4.550 0.270 0.000 0.282 415 Y C 1.642 177.275 175.900 -0.445 0.000 1.058 415 Y CA -0.345 57.615 58.100 -0.232 0.000 1.194 415 Y CB -0.893 37.380 38.460 -0.311 0.000 1.193 415 Y HN 0.127 nan 8.280 nan 0.000 0.562 416 A N 0.961 123.547 122.820 -0.391 0.000 1.908 416 A HA -0.139 4.334 4.320 0.256 0.000 0.218 416 A C -0.346 176.970 177.584 -0.448 0.000 1.181 416 A CA 1.590 53.385 52.037 -0.403 0.000 0.627 416 A CB -1.379 17.383 19.000 -0.396 0.000 0.818 416 A HN 0.292 nan 8.150 nan 0.000 0.445 417 P HA -0.015 nan 4.420 nan 0.000 0.228 417 P C 0.634 177.677 177.300 -0.429 0.000 1.151 417 P CA 1.317 64.156 63.100 -0.435 0.000 0.770 417 P CB -0.474 30.992 31.700 -0.390 0.000 0.786 418 T N -2.854 111.448 114.554 -0.419 0.000 2.898 418 T HA 0.110 4.613 4.350 0.256 0.000 0.301 418 T C 1.123 175.417 174.700 -0.677 0.000 1.049 418 T CA -0.660 61.148 62.100 -0.487 0.000 1.095 418 T CB 0.619 69.060 68.868 -0.712 0.000 0.976 418 T HN -0.170 nan 8.240 nan 0.000 0.539 419 L N 1.824 122.511 121.223 -0.892 0.000 2.042 419 L HA 0.011 4.505 4.340 0.256 0.000 0.210 419 L C 2.321 178.897 176.870 -0.490 0.000 1.076 419 L CA 1.687 55.986 54.840 -0.902 0.000 0.749 419 L CB -0.789 40.641 42.059 -1.048 0.000 0.893 419 L HN 0.918 nan 8.230 nan 0.000 0.432 420 W N -1.173 119.915 121.300 -0.353 0.000 2.494 420 W HA 0.185 4.997 4.660 0.254 0.000 0.286 420 W C 1.993 178.382 176.519 -0.218 0.000 1.218 420 W CA 0.630 57.813 57.345 -0.270 0.000 1.313 420 W CB -1.288 28.048 29.460 -0.208 0.000 1.105 420 W HN 0.276 nan 8.180 nan 0.000 0.561 421 A N 1.992 124.336 122.820 -0.794 0.000 1.930 421 A HA -0.116 4.357 4.320 0.256 0.000 0.217 421 A C 2.245 179.668 177.584 -0.269 0.000 1.175 421 A CA 1.688 53.401 52.037 -0.539 0.000 0.627 421 A CB -0.676 17.880 19.000 -0.739 0.000 0.815 421 A HN 0.312 nan 8.150 nan 0.000 0.443 422 R N -1.133 119.138 120.500 -0.383 0.000 2.075 422 R HA 0.145 4.638 4.340 0.256 0.000 0.226 422 R C 2.270 178.403 176.300 -0.278 0.000 1.114 422 R CA 1.399 57.294 56.100 -0.342 0.000 0.972 422 R CB -0.311 29.622 30.300 -0.612 0.000 0.869 422 R HN 0.467 nan 8.270 nan 0.000 0.437 423 M N -0.050 119.266 119.600 -0.474 0.000 2.156 423 M HA -0.051 4.582 4.480 0.256 0.000 0.264 423 M C 1.986 178.227 176.300 -0.098 0.000 1.067 423 M CA 1.694 56.825 55.300 -0.282 0.000 1.131 423 M CB 0.005 32.411 32.600 -0.323 0.000 1.368 423 M HN 0.123 nan 8.290 nan 0.000 0.416 424 I N -0.820 119.539 120.570 -0.352 0.000 2.899 424 I HA -0.114 4.209 4.170 0.256 0.000 0.257 424 I C 2.107 178.054 176.117 -0.285 0.000 1.115 424 I CA 0.399 61.221 61.300 -0.797 0.000 1.451 424 I CB -0.123 37.368 38.000 -0.849 0.000 1.251 424 I HN 0.145 nan 8.210 nan 0.000 0.456 425 L N 0.086 121.321 121.223 0.019 0.000 2.044 425 L HA -0.133 4.361 4.340 0.256 0.000 0.205 425 L C 2.626 179.771 176.870 0.458 0.000 1.075 425 L CA 1.477 56.508 54.840 0.318 0.000 0.747 425 L CB -0.340 41.928 42.059 0.348 0.000 0.903 425 L HN 0.256 nan 8.230 nan 0.000 0.435 426 M N -0.891 118.948 119.600 0.397 0.000 2.086 426 M HA -0.171 4.462 4.480 0.256 0.000 0.261 426 M C 2.297 179.082 176.300 0.808 0.000 1.067 426 M CA 1.940 57.592 55.300 0.588 0.000 1.116 426 M CB -0.578 32.169 32.600 0.245 0.000 1.348 426 M HN 0.246 nan 8.290 nan 0.000 0.407 427 T N -1.227 113.759 114.554 0.720 0.000 2.622 427 T HA -0.239 4.265 4.350 0.256 0.000 0.266 427 T C 1.679 176.667 174.700 0.479 0.000 1.047 427 T CA 1.966 64.480 62.100 0.690 0.000 1.159 427 T CB -0.632 68.668 68.868 0.721 0.000 0.863 427 T HN 0.432 nan 8.240 nan 0.000 0.422 428 H N 0.435 119.643 119.070 0.230 0.000 2.290 428 H HA -0.050 4.659 4.556 0.255 0.000 0.298 428 H C 1.715 176.901 175.328 -0.236 0.000 1.087 428 H CA 1.675 57.711 56.048 -0.021 0.000 1.291 428 H CB -0.494 29.081 29.762 -0.311 0.000 1.369 428 H HN 0.384 nan 8.280 nan 0.000 0.492 429 F N -1.650 118.208 119.950 -0.154 0.000 2.473 429 F HA 0.072 4.754 4.527 0.259 0.000 0.294 429 F C 1.885 177.460 175.800 -0.376 0.000 1.103 429 F CA 0.186 57.844 58.000 -0.570 0.000 1.442 429 F CB -0.337 37.866 39.000 -1.328 0.000 1.097 429 F HN 0.109 nan 8.300 nan 0.000 0.547 430 F N -0.589 119.441 119.950 0.132 0.000 2.186 430 F HA -0.182 4.496 4.527 0.253 0.000 0.299 430 F C 2.738 178.570 175.800 0.053 0.000 1.090 430 F CA 1.505 59.608 58.000 0.171 0.000 1.307 430 F CB -0.842 38.366 39.000 0.347 0.000 1.019 430 F HN -0.126 nan 8.300 nan 0.000 0.489 431 S N 0.335 116.127 115.700 0.153 0.000 2.368 431 S HA -0.171 4.452 4.470 0.256 0.000 0.225 431 S C 2.112 176.675 174.600 -0.062 0.000 1.030 431 S CA 1.345 59.559 58.200 0.023 0.000 0.999 431 S CB -0.449 62.758 63.200 0.012 0.000 0.844 431 S HN 0.311 nan 8.310 nan 0.000 0.459 432 I N 0.992 121.457 120.570 -0.175 0.000 2.252 432 I HA -0.148 4.176 4.170 0.256 0.000 0.245 432 I C 2.030 178.105 176.117 -0.071 0.000 1.102 432 I CA 1.025 62.215 61.300 -0.184 0.000 1.385 432 I CB -0.265 37.539 38.000 -0.326 0.000 1.064 432 I HN 0.298 nan 8.210 nan 0.000 0.414 433 L N -0.073 121.122 121.223 -0.047 0.000 2.156 433 L HA -0.153 4.340 4.340 0.256 0.000 0.208 433 L C 2.458 179.357 176.870 0.048 0.000 1.095 433 L CA 0.843 55.689 54.840 0.010 0.000 0.770 433 L CB -0.379 41.671 42.059 -0.015 0.000 0.914 433 L HN 0.250 nan 8.230 nan 0.000 0.439 434 L N -0.106 121.157 121.223 0.065 0.000 2.017 434 L HA -0.207 4.287 4.340 0.256 0.000 0.208 434 L C 2.883 179.774 176.870 0.035 0.000 1.073 434 L CA 1.372 56.253 54.840 0.068 0.000 0.745 434 L CB -0.622 41.477 42.059 0.067 0.000 0.894 434 L HN 0.240 nan 8.230 nan 0.000 0.432 435 A N -1.015 121.812 122.820 0.013 0.000 1.972 435 A HA -0.194 4.279 4.320 0.256 0.000 0.219 435 A C 2.048 179.639 177.584 0.011 0.000 1.169 435 A CA 1.344 53.382 52.037 0.002 0.000 0.635 435 A CB -0.237 18.752 19.000 -0.018 0.000 0.810 435 A HN 0.457 nan 8.150 nan 0.000 0.446 436 Q N -1.569 118.243 119.800 0.020 0.000 2.319 436 Q HA 0.237 4.730 4.340 0.256 0.000 0.202 436 Q C 0.517 176.542 176.000 0.040 0.000 0.896 436 Q CA 0.976 56.798 55.803 0.033 0.000 0.942 436 Q CB -0.533 28.233 28.738 0.046 0.000 1.083 436 Q HN 0.961 nan 8.270 nan 0.000 0.510 437 E N 1.436 121.662 120.200 0.043 0.000 2.228 437 E HA -0.250 4.253 4.350 0.256 0.000 0.213 437 E C 0.218 176.853 176.600 0.058 0.000 1.282 437 E CA 1.278 57.708 56.400 0.050 0.000 0.707 437 E CB -2.836 26.889 29.700 0.041 0.000 1.150 437 E HN 0.603 nan 8.360 nan 0.000 0.362 438 Q N -1.072 118.769 119.800 0.067 0.000 2.157 438 Q HA 0.322 4.816 4.340 0.256 0.000 0.229 438 Q C 1.521 177.572 176.000 0.086 0.000 0.827 438 Q CA -0.403 55.446 55.803 0.076 0.000 1.055 438 Q CB 0.376 29.166 28.738 0.087 0.000 1.157 438 Q HN 0.514 nan 8.270 nan 0.000 0.482 439 L N 1.764 123.043 121.223 0.093 0.000 2.043 439 L HA -0.216 4.278 4.340 0.256 0.000 0.212 439 L C 2.101 179.041 176.870 0.116 0.000 1.075 439 L CA 1.945 56.856 54.840 0.119 0.000 0.752 439 L CB -0.383 41.769 42.059 0.156 0.000 0.891 439 L HN 0.397 nan 8.230 nan 0.000 0.432 440 E N -1.228 119.030 120.200 0.096 0.000 2.437 440 E HA 0.017 4.520 4.350 0.256 0.000 0.195 440 E C 0.133 176.779 176.600 0.075 0.000 1.029 440 E CA -0.111 56.341 56.400 0.087 0.000 0.948 440 E CB -0.162 29.583 29.700 0.076 0.000 1.082 440 E HN 0.046 nan 8.360 nan 0.000 0.456 441 K N 1.140 121.587 120.400 0.078 0.000 2.248 441 K HA 0.551 5.024 4.320 0.256 0.000 0.281 441 K C -0.364 176.281 176.600 0.074 0.000 1.054 441 K CA 0.110 56.440 56.287 0.072 0.000 0.903 441 K CB 0.701 33.245 32.500 0.072 0.000 1.077 441 K HN 0.345 nan 8.250 nan 0.000 0.474 442 A N 4.940 127.800 122.820 0.066 0.000 2.477 442 A HA 0.526 5.000 4.320 0.256 0.000 0.246 442 A C -0.155 177.462 177.584 0.054 0.000 1.078 442 A CA -0.197 51.877 52.037 0.061 0.000 0.770 442 A CB -0.123 18.917 19.000 0.067 0.000 1.011 442 A HN 0.828 nan 8.150 nan 0.000 0.494 443 L N 2.173 123.410 121.223 0.023 0.000 2.362 443 L HA 0.367 4.860 4.340 0.256 0.000 0.271 443 L C -0.843 176.005 176.870 -0.036 0.000 1.002 443 L CA -1.065 53.773 54.840 -0.004 0.000 0.818 443 L CB 2.048 44.077 42.059 -0.051 0.000 1.298 443 L HN 0.590 nan 8.230 nan 0.000 0.420 444 D N 1.592 121.986 120.400 -0.010 0.000 2.350 444 D HA 0.437 5.230 4.640 0.256 0.000 0.249 444 D C -0.305 175.939 176.300 -0.093 0.000 1.119 444 D CA 0.040 54.036 54.000 -0.007 0.000 0.886 444 D CB 1.440 42.276 40.800 0.059 0.000 1.195 444 D HN 0.612 nan 8.370 nan 0.000 0.437 445 C N 0.362 119.601 119.300 -0.102 0.000 3.336 445 C HA 0.693 5.306 4.460 0.256 0.000 0.339 445 C C -1.098 173.839 174.990 -0.090 0.000 1.468 445 C CA -0.861 58.072 59.018 -0.142 0.000 1.287 445 C CB 1.295 28.891 27.740 -0.241 0.000 1.682 445 C HN 0.529 nan 8.230 nan 0.000 0.451 446 Q N 0.264 120.010 119.800 -0.091 0.000 2.356 446 Q HA 0.786 5.279 4.340 0.256 0.000 0.270 446 Q C -1.503 174.448 176.000 -0.081 0.000 1.058 446 Q CA -0.359 55.416 55.803 -0.047 0.000 0.802 446 Q CB 2.440 31.158 28.738 -0.033 0.000 1.303 446 Q HN 0.694 nan 8.270 nan 0.000 0.444 447 I N 2.468 122.990 120.570 -0.080 0.000 2.447 447 I HA 0.220 4.543 4.170 0.256 0.000 0.287 447 I C -0.977 175.124 176.117 -0.026 0.000 1.023 447 I CA -0.712 60.453 61.300 -0.225 0.000 1.083 447 I CB 1.139 38.754 38.000 -0.641 0.000 1.245 447 I HN 0.643 nan 8.210 nan 0.000 0.434 448 Y N 4.943 125.278 120.300 0.059 0.000 3.721 448 Y HA -0.259 4.403 4.550 0.187 0.000 0.218 448 Y C 1.519 177.380 175.900 -0.064 0.000 1.188 448 Y CA 1.126 59.243 58.100 0.028 0.000 1.607 448 Y CB -2.031 36.436 38.460 0.010 0.000 1.496 448 Y HN 0.997 nan 8.280 nan 0.000 0.626 449 G N -2.275 106.603 108.800 0.129 0.000 2.217 449 G HA2 0.020 4.133 3.960 0.256 0.000 0.246 449 G HA3 0.020 4.133 3.960 0.256 0.000 0.246 449 G C 0.427 175.345 174.900 0.029 0.000 0.990 449 G CA 0.108 45.246 45.100 0.062 0.000 0.627 449 G HN 1.511 nan 8.290 nan 0.000 0.522 450 A N -0.625 122.217 122.820 0.037 0.000 2.293 450 A HA 0.680 5.153 4.320 0.256 0.000 0.302 450 A C 0.601 178.001 177.584 -0.306 0.000 1.119 450 A CA 0.404 52.321 52.037 -0.200 0.000 0.823 450 A CB 1.072 19.878 19.000 -0.324 0.000 1.097 450 A HN 1.427 nan 8.150 nan 0.000 0.491 451 C N 1.576 120.594 119.300 -0.470 0.000 2.350 451 C HA 0.772 5.385 4.460 0.256 0.000 0.348 451 C C -1.144 173.391 174.990 -0.759 0.000 1.260 451 C CA -0.399 58.404 59.018 -0.358 0.000 1.966 451 C CB -0.876 26.811 27.740 -0.088 0.000 2.380 451 C HN 0.656 nan 8.230 nan 0.000 0.535 452 Y N 2.685 122.763 120.300 -0.370 0.000 2.406 452 Y HA 0.391 5.092 4.550 0.252 0.000 0.340 452 Y C 0.347 176.095 175.900 -0.253 0.000 0.975 452 Y CA -0.304 57.537 58.100 -0.432 0.000 1.056 452 Y CB 1.836 39.979 38.460 -0.528 0.000 1.210 452 Y HN 0.585 nan 8.280 nan 0.000 0.448 453 S N 4.293 119.952 115.700 -0.069 0.000 2.452 453 S HA 0.671 5.294 4.470 0.256 0.000 0.284 453 S C -0.775 173.864 174.600 0.065 0.000 1.171 453 S CA -0.242 57.985 58.200 0.044 0.000 1.064 453 S CB -0.347 62.921 63.200 0.114 0.000 0.967 453 S HN 0.529 nan 8.310 nan 0.000 0.484 454 I N 4.061 124.657 120.570 0.044 0.000 2.499 454 I HA 0.297 4.620 4.170 0.256 0.000 0.288 454 I C -0.341 175.803 176.117 0.045 0.000 1.048 454 I CA -0.565 60.771 61.300 0.060 0.000 1.062 454 I CB 2.219 40.242 38.000 0.039 0.000 1.238 454 I HN 0.551 nan 8.210 nan 0.000 0.426 455 E N 7.338 127.582 120.200 0.074 0.000 2.223 455 E HA 0.144 4.647 4.350 0.256 0.000 0.282 455 E C -1.761 174.899 176.600 0.100 0.000 1.046 455 E CA -1.507 54.941 56.400 0.080 0.000 0.857 455 E CB 0.941 30.692 29.700 0.086 0.000 1.055 455 E HN 0.326 nan 8.360 nan 0.000 0.409 456 P HA -0.133 nan 4.420 nan 0.000 0.222 456 P C 0.940 178.409 177.300 0.281 0.000 1.147 456 P CA 0.877 64.061 63.100 0.141 0.000 0.790 456 P CB 0.269 32.000 31.700 0.052 0.000 0.780 457 L N -0.701 120.662 121.223 0.232 0.000 2.376 457 L HA -0.094 4.399 4.340 0.256 0.000 0.219 457 L C 1.149 178.128 176.870 0.181 0.000 1.133 457 L CA 1.171 56.160 54.840 0.248 0.000 0.816 457 L CB -0.563 41.602 42.059 0.177 0.000 0.933 457 L HN -0.049 nan 8.230 nan 0.000 0.449 458 D N -0.377 120.112 120.400 0.149 0.000 2.340 458 D HA -0.012 4.782 4.640 0.256 0.000 0.220 458 D C 2.226 178.596 176.300 0.117 0.000 1.039 458 D CA 0.292 54.353 54.000 0.101 0.000 0.866 458 D CB 0.245 41.092 40.800 0.078 0.000 0.913 458 D HN 0.244 nan 8.370 nan 0.000 0.523 459 L N 0.918 122.256 121.223 0.192 0.000 2.043 459 L HA -0.168 4.325 4.340 0.256 0.000 0.212 459 L C -0.499 176.489 176.870 0.197 0.000 1.075 459 L CA 1.530 56.503 54.840 0.222 0.000 0.752 459 L CB -1.264 41.008 42.059 0.353 0.000 0.891 459 L HN 0.077 nan 8.230 nan 0.000 0.432 460 P HA -0.192 nan 4.420 nan 0.000 0.215 460 P C 1.370 178.725 177.300 0.091 0.000 1.157 460 P CA 1.241 64.395 63.100 0.090 0.000 0.868 460 P CB 0.053 31.631 31.700 -0.205 0.000 0.788 461 Q N -0.736 119.058 119.800 -0.010 0.000 2.050 461 Q HA -0.129 4.364 4.340 0.256 0.000 0.202 461 Q C 2.198 178.184 176.000 -0.023 0.000 0.980 461 Q CA 1.403 57.184 55.803 -0.036 0.000 0.840 461 Q CB -1.002 27.703 28.738 -0.055 0.000 0.898 461 Q HN 0.255 nan 8.270 nan 0.000 0.424 462 I N -0.165 120.403 120.570 -0.004 0.000 2.179 462 I HA -0.273 4.050 4.170 0.256 0.000 0.242 462 I C 1.997 178.118 176.117 0.007 0.000 1.088 462 I CA 1.140 62.413 61.300 -0.044 0.000 1.357 462 I CB -0.247 37.768 38.000 0.025 0.000 1.051 462 I HN 0.179 nan 8.210 nan 0.000 0.409 463 I N 0.456 121.087 120.570 0.101 0.000 2.179 463 I HA -0.308 4.015 4.170 0.256 0.000 0.242 463 I C 2.643 178.738 176.117 -0.036 0.000 1.088 463 I CA 1.494 62.851 61.300 0.095 0.000 1.357 463 I CB -0.448 37.589 38.000 0.061 0.000 1.051 463 I HN 0.278 nan 8.210 nan 0.000 0.409 464 E N 1.055 121.252 120.200 -0.005 0.000 2.065 464 E HA -0.353 4.150 4.350 0.256 0.000 0.201 464 E C 2.322 178.890 176.600 -0.054 0.000 1.016 464 E CA 1.761 58.152 56.400 -0.014 0.000 0.818 464 E CB -0.022 29.745 29.700 0.111 0.000 0.749 464 E HN 0.165 nan 8.360 nan 0.000 0.453 465 R N 0.397 120.855 120.500 -0.069 0.000 2.080 465 R HA -0.103 4.390 4.340 0.256 0.000 0.236 465 R C 2.396 178.606 176.300 -0.150 0.000 1.137 465 R CA 1.650 57.682 56.100 -0.113 0.000 0.943 465 R CB -0.497 29.707 30.300 -0.160 0.000 0.846 465 R HN 0.290 nan 8.270 nan 0.000 0.431 466 L N -1.456 119.649 121.223 -0.195 0.000 2.095 466 L HA -0.068 4.425 4.340 0.256 0.000 0.204 466 L C 1.855 178.429 176.870 -0.494 0.000 1.080 466 L CA 1.055 55.676 54.840 -0.364 0.000 0.759 466 L CB -0.360 41.416 42.059 -0.472 0.000 0.914 466 L HN 0.387 nan 8.230 nan 0.000 0.439 467 H N -0.888 118.093 119.070 -0.147 0.000 2.874 467 H HA 0.294 5.015 4.556 0.275 0.000 0.264 467 H C 0.999 176.231 175.328 -0.161 0.000 1.007 467 H CA 0.753 56.704 56.048 -0.162 0.000 1.207 467 H CB 0.956 30.597 29.762 -0.202 0.000 1.487 467 H HN 0.305 nan 8.280 nan 0.000 0.505 468 G N 0.985 109.746 108.800 -0.066 0.000 2.756 468 G HA2 -0.237 3.876 3.960 0.256 0.000 0.678 468 G HA3 -0.237 3.876 3.960 0.256 0.000 0.678 468 G C 0.611 175.438 174.900 -0.121 0.000 1.349 468 G CA -0.172 44.890 45.100 -0.064 0.000 0.847 468 G HN 0.221 nan 8.290 nan 0.000 0.548 469 L N 1.001 122.216 121.223 -0.012 0.000 2.362 469 L HA -0.025 4.469 4.340 0.256 0.000 0.219 469 L C 3.133 180.022 176.870 0.032 0.000 1.134 469 L CA 1.915 56.813 54.840 0.096 0.000 0.807 469 L CB -0.394 41.792 42.059 0.212 0.000 0.927 469 L HN 0.886 nan 8.230 nan 0.000 0.447 470 S N -0.013 115.668 115.700 -0.031 0.000 2.442 470 S HA -0.135 4.489 4.470 0.256 0.000 0.236 470 S C 2.100 176.634 174.600 -0.111 0.000 1.007 470 S CA 0.749 58.928 58.200 -0.036 0.000 0.965 470 S CB -0.254 62.920 63.200 -0.042 0.000 0.773 470 S HN 0.353 nan 8.310 nan 0.000 0.504 471 A N 0.746 123.412 122.820 -0.256 0.000 2.015 471 A HA 0.196 4.669 4.320 0.256 0.000 0.219 471 A C 1.508 178.936 177.584 -0.259 0.000 1.163 471 A CA 0.877 52.700 52.037 -0.357 0.000 0.646 471 A CB -0.818 17.872 19.000 -0.517 0.000 0.806 471 A HN 0.587 nan 8.150 nan 0.000 0.448 472 F N 0.302 120.271 119.950 0.032 0.000 2.797 472 F HA 0.097 4.780 4.527 0.261 0.000 0.302 472 F C 1.668 177.521 175.800 0.088 0.000 1.130 472 F CA 0.632 58.680 58.000 0.081 0.000 1.387 472 F CB -0.055 39.023 39.000 0.131 0.000 1.107 472 F HN 0.224 nan 8.300 nan 0.000 0.577 473 S N -1.492 114.319 115.700 0.184 0.000 2.847 473 S HA 0.306 4.930 4.470 0.256 0.000 0.254 473 S C 0.199 174.879 174.600 0.133 0.000 1.039 473 S CA -0.362 57.935 58.200 0.162 0.000 1.113 473 S CB -0.307 62.979 63.200 0.143 0.000 1.092 473 S HN 0.033 nan 8.310 nan 0.000 0.620 474 L N 3.424 124.647 121.223 0.001 0.000 2.483 474 L HA 0.384 4.878 4.340 0.256 0.000 0.276 474 L C 0.494 177.270 176.870 -0.156 0.000 1.213 474 L CA 0.288 55.015 54.840 -0.188 0.000 0.843 474 L CB 0.021 41.833 42.059 -0.411 0.000 1.107 474 L HN 0.621 nan 8.230 nan 0.000 0.487 475 H N -1.521 117.320 119.070 -0.382 0.000 2.967 475 H HA 0.322 5.031 4.556 0.256 0.000 0.318 475 H C -0.358 174.814 175.328 -0.260 0.000 1.375 475 H CA -0.823 55.063 56.048 -0.269 0.000 1.132 475 H CB 1.045 30.774 29.762 -0.055 0.000 1.848 475 H HN 0.378 nan 8.280 nan 0.000 0.524 476 S N -0.086 115.584 115.700 -0.051 0.000 3.697 476 S HA -0.224 4.399 4.470 0.256 0.000 0.388 476 S C -0.601 173.999 174.600 0.000 0.000 0.941 476 S CA 0.432 58.633 58.200 0.001 0.000 1.247 476 S CB -2.248 60.878 63.200 -0.124 0.000 0.904 476 S HN 0.527 nan 8.310 nan 0.000 0.518 477 Y N 1.799 122.148 120.300 0.082 0.000 2.511 477 Y HA 0.208 4.910 4.550 0.253 0.000 0.347 477 Y C 1.472 177.431 175.900 0.099 0.000 1.257 477 Y CA 0.495 58.647 58.100 0.086 0.000 1.469 477 Y CB 0.376 38.879 38.460 0.072 0.000 1.353 477 Y HN 0.528 nan 8.280 nan 0.000 0.617 478 S N 1.723 117.576 115.700 0.254 0.000 2.584 478 S HA 0.114 4.738 4.470 0.256 0.000 0.270 478 S C -1.972 172.714 174.600 0.143 0.000 1.346 478 S CA -1.118 57.177 58.200 0.159 0.000 1.018 478 S CB 1.138 64.406 63.200 0.114 0.000 0.899 478 S HN 0.443 nan 8.310 nan 0.000 0.542 479 P HA -0.031 nan 4.420 nan 0.000 0.215 479 P C 1.783 179.126 177.300 0.071 0.000 1.157 479 P CA 1.753 64.902 63.100 0.082 0.000 0.874 479 P CB -0.520 31.218 31.700 0.064 0.000 0.790 480 G N -0.308 108.529 108.800 0.062 0.000 2.422 480 G HA2 -0.283 3.831 3.960 0.256 0.000 0.218 480 G HA3 -0.283 3.831 3.960 0.256 0.000 0.218 480 G C 1.671 176.598 174.900 0.046 0.000 1.146 480 G CA 0.875 46.001 45.100 0.044 0.000 0.769 480 G HN 0.262 nan 8.290 nan 0.000 0.547 481 E N 0.706 120.950 120.200 0.074 0.000 2.072 481 E HA -0.024 4.479 4.350 0.256 0.000 0.191 481 E C 2.435 179.075 176.600 0.068 0.000 0.985 481 E CA 0.685 57.138 56.400 0.088 0.000 0.801 481 E CB -0.396 29.405 29.700 0.169 0.000 0.750 481 E HN 0.489 nan 8.360 nan 0.000 0.452 482 I N 0.880 121.499 120.570 0.083 0.000 2.226 482 I HA -0.269 4.054 4.170 0.256 0.000 0.245 482 I C 1.773 177.915 176.117 0.042 0.000 1.100 482 I CA 1.110 62.447 61.300 0.062 0.000 1.374 482 I CB -0.383 37.672 38.000 0.092 0.000 1.057 482 I HN 0.149 nan 8.210 nan 0.000 0.413 483 N N 0.615 119.340 118.700 0.041 0.000 2.331 483 N HA -0.164 4.729 4.740 0.256 0.000 0.180 483 N C 1.866 177.382 175.510 0.010 0.000 1.019 483 N CA 0.898 53.965 53.050 0.028 0.000 0.881 483 N CB -0.356 38.148 38.487 0.029 0.000 0.972 483 N HN 0.390 nan 8.380 nan 0.000 0.435 484 R N 0.987 121.486 120.500 -0.001 0.000 2.073 484 R HA 0.007 4.500 4.340 0.256 0.000 0.229 484 R C 1.846 178.111 176.300 -0.058 0.000 1.120 484 R CA 0.730 56.811 56.100 -0.032 0.000 0.967 484 R CB -0.103 30.170 30.300 -0.045 0.000 0.862 484 R HN -0.095 nan 8.270 nan 0.000 0.436 485 V N 1.376 121.261 119.914 -0.049 0.000 2.220 485 V HA -0.264 4.009 4.120 0.256 0.000 0.246 485 V C 2.530 178.612 176.094 -0.020 0.000 1.049 485 V CA 2.103 64.370 62.300 -0.055 0.000 1.003 485 V CB -0.954 30.865 31.823 -0.007 0.000 0.634 485 V HN 0.576 nan 8.190 nan 0.000 0.444 486 A N -0.759 122.067 122.820 0.011 0.000 1.917 486 A HA -0.291 4.182 4.320 0.256 0.000 0.219 486 A C 2.555 180.153 177.584 0.023 0.000 1.182 486 A CA 2.590 54.646 52.037 0.031 0.000 0.633 486 A CB -0.872 18.153 19.000 0.041 0.000 0.819 486 A HN 0.501 nan 8.150 nan 0.000 0.448 487 S N -1.450 114.256 115.700 0.010 0.000 2.383 487 S HA -0.179 4.445 4.470 0.256 0.000 0.227 487 S C 2.084 176.686 174.600 0.004 0.000 1.026 487 S CA 1.391 59.597 58.200 0.010 0.000 0.981 487 S CB -0.922 62.281 63.200 0.004 0.000 0.818 487 S HN 0.828 nan 8.310 nan 0.000 0.472 488 C N 1.691 120.977 119.300 -0.022 0.000 2.429 488 C HA 0.011 4.624 4.460 0.256 0.000 0.277 488 C C 2.450 177.435 174.990 -0.009 0.000 1.262 488 C CA 0.881 59.878 59.018 -0.035 0.000 1.733 488 C CB -1.743 25.937 27.740 -0.101 0.000 2.010 488 C HN 0.665 nan 8.230 nan 0.000 0.483 489 L N 0.382 121.606 121.223 0.002 0.000 2.046 489 L HA -0.133 4.361 4.340 0.256 0.000 0.208 489 L C 3.105 179.983 176.870 0.014 0.000 1.077 489 L CA 1.902 56.758 54.840 0.025 0.000 0.747 489 L CB -0.932 41.168 42.059 0.069 0.000 0.896 489 L HN 0.357 nan 8.230 nan 0.000 0.432 490 R N 0.327 120.844 120.500 0.029 0.000 2.081 490 R HA -0.197 4.297 4.340 0.256 0.000 0.235 490 R C 2.397 178.753 176.300 0.094 0.000 1.131 490 R CA 1.514 57.641 56.100 0.045 0.000 0.960 490 R CB -0.258 30.075 30.300 0.054 0.000 0.856 490 R HN 0.297 nan 8.270 nan 0.000 0.436 491 K N 0.532 120.987 120.400 0.092 0.000 2.032 491 K HA -0.162 4.311 4.320 0.256 0.000 0.209 491 K C 1.631 178.376 176.600 0.241 0.000 1.048 491 K CA 1.296 57.670 56.287 0.144 0.000 0.927 491 K CB 0.043 32.591 32.500 0.080 0.000 0.712 491 K HN 0.010 nan 8.250 nan 0.000 0.441 492 L N -0.153 121.132 121.223 0.103 0.000 2.492 492 L HA 0.161 4.654 4.340 0.256 0.000 0.223 492 L C 1.132 177.886 176.870 -0.194 0.000 1.132 492 L CA 1.445 56.324 54.840 0.065 0.000 0.850 492 L CB 0.094 42.177 42.059 0.039 0.000 0.966 492 L HN 0.551 nan 8.230 nan 0.000 0.454 493 G N -0.509 108.001 108.800 -0.483 0.000 2.149 493 G HA2 -0.218 3.895 3.960 0.256 0.000 0.235 493 G HA3 -0.218 3.895 3.960 0.256 0.000 0.235 493 G C 0.175 174.901 174.900 -0.290 0.000 1.018 493 G CA 0.151 44.758 45.100 -0.823 0.000 0.728 493 G HN 0.105 nan 8.290 nan 0.000 0.508 494 V N 1.080 120.932 119.914 -0.105 0.000 2.583 494 V HA 0.390 4.663 4.120 0.256 0.000 0.287 494 V C -1.185 174.962 176.094 0.089 0.000 1.051 494 V CA -1.346 60.987 62.300 0.055 0.000 1.010 494 V CB 1.301 33.202 31.823 0.129 0.000 0.988 494 V HN 0.175 nan 8.190 nan 0.000 0.478 495 P HA 0.145 nan 4.420 nan 0.000 0.266 495 P C -2.461 174.918 177.300 0.132 0.000 1.195 495 P CA -0.794 62.300 63.100 -0.010 0.000 0.768 495 P CB -0.172 31.359 31.700 -0.281 0.000 0.838 496 P HA 0.064 nan 4.420 nan 0.000 0.273 496 P C 0.928 178.371 177.300 0.239 0.000 1.250 496 P CA -0.043 63.141 63.100 0.140 0.000 0.793 496 P CB 0.685 32.426 31.700 0.068 0.000 1.011 497 L N 0.298 121.685 121.223 0.272 0.000 2.265 497 L HA -0.182 4.311 4.340 0.256 0.000 0.215 497 L C 2.764 179.810 176.870 0.293 0.000 1.117 497 L CA 1.452 56.502 54.840 0.350 0.000 0.782 497 L CB -0.777 41.412 42.059 0.216 0.000 0.914 497 L HN 0.473 nan 8.230 nan 0.000 0.441 498 R N -0.222 120.384 120.500 0.177 0.000 2.096 498 R HA -0.099 4.394 4.340 0.256 0.000 0.235 498 R C 1.972 178.341 176.300 0.116 0.000 1.127 498 R CA 1.398 57.582 56.100 0.141 0.000 0.968 498 R CB -1.049 29.298 30.300 0.077 0.000 0.861 498 R HN 0.141 nan 8.270 nan 0.000 0.440 499 V N 0.566 120.486 119.914 0.010 0.000 2.343 499 V HA -0.196 4.077 4.120 0.256 0.000 0.247 499 V C 2.007 178.037 176.094 -0.106 0.000 1.051 499 V CA 1.855 64.072 62.300 -0.138 0.000 1.036 499 V CB -0.780 30.834 31.823 -0.348 0.000 0.654 499 V HN 0.383 nan 8.190 nan 0.000 0.451 500 W N 0.136 121.538 121.300 0.170 0.000 2.374 500 W HA -0.092 4.723 4.660 0.259 0.000 0.288 500 W C 2.749 179.468 176.519 0.333 0.000 1.218 500 W CA 1.350 58.836 57.345 0.234 0.000 1.245 500 W CB -0.283 29.312 29.460 0.225 0.000 1.126 500 W HN 0.050 nan 8.180 nan 0.000 0.545 501 R N -0.254 120.566 120.500 0.534 0.000 2.081 501 R HA -0.211 4.282 4.340 0.256 0.000 0.235 501 R C 2.053 178.494 176.300 0.235 0.000 1.131 501 R CA 2.043 58.426 56.100 0.470 0.000 0.960 501 R CB -0.629 29.917 30.300 0.410 0.000 0.856 501 R HN 0.263 nan 8.270 nan 0.000 0.436 502 H N 0.095 119.227 119.070 0.103 0.000 2.357 502 H HA 0.010 4.720 4.556 0.255 0.000 0.301 502 H C 2.069 177.391 175.328 -0.011 0.000 1.082 502 H CA 1.864 57.921 56.048 0.016 0.000 1.342 502 H CB 0.181 29.934 29.762 -0.015 0.000 1.389 502 H HN 0.096 nan 8.280 nan 0.000 0.511 503 R N -0.317 120.230 120.500 0.078 0.000 2.096 503 R HA -0.059 4.435 4.340 0.256 0.000 0.235 503 R C 2.486 178.772 176.300 -0.024 0.000 1.127 503 R CA 0.987 57.100 56.100 0.022 0.000 0.968 503 R CB -0.233 30.114 30.300 0.078 0.000 0.861 503 R HN 0.395 nan 8.270 nan 0.000 0.440 504 A N 1.097 123.946 122.820 0.050 0.000 1.930 504 A HA -0.159 4.314 4.320 0.256 0.000 0.217 504 A C 2.022 179.365 177.584 -0.402 0.000 1.175 504 A CA 1.092 53.029 52.037 -0.167 0.000 0.627 504 A CB -0.323 18.673 19.000 -0.007 0.000 0.815 504 A HN 0.224 nan 8.150 nan 0.000 0.443 505 R N -0.557 119.762 120.500 -0.301 0.000 2.091 505 R HA -0.134 4.359 4.340 0.256 0.000 0.238 505 R C 2.652 178.777 176.300 -0.292 0.000 1.136 505 R CA 1.600 57.521 56.100 -0.299 0.000 0.959 505 R CB -0.474 29.671 30.300 -0.258 0.000 0.856 505 R HN 0.574 nan 8.270 nan 0.000 0.437 506 S N 0.307 115.838 115.700 -0.282 0.000 2.348 506 S HA -0.109 4.514 4.470 0.256 0.000 0.221 506 S C 2.096 176.553 174.600 -0.239 0.000 1.033 506 S CA 1.404 59.465 58.200 -0.232 0.000 1.010 506 S CB -0.205 62.876 63.200 -0.199 0.000 0.891 506 S HN 0.122 nan 8.310 nan 0.000 0.442 507 V N 2.921 122.656 119.914 -0.297 0.000 2.282 507 V HA -0.207 4.066 4.120 0.256 0.000 0.249 507 V C 2.744 178.547 176.094 -0.484 0.000 1.057 507 V CA 2.403 64.478 62.300 -0.375 0.000 1.032 507 V CB -0.958 30.587 31.823 -0.464 0.000 0.645 507 V HN 0.526 nan 8.190 nan 0.000 0.447 508 R N 0.382 120.502 120.500 -0.634 0.000 2.082 508 R HA -0.212 4.282 4.340 0.256 0.000 0.234 508 R C 2.366 178.534 176.300 -0.220 0.000 1.136 508 R CA 1.986 57.833 56.100 -0.421 0.000 0.935 508 R CB -0.617 29.475 30.300 -0.348 0.000 0.842 508 R HN 0.454 nan 8.270 nan 0.000 0.430 509 A N 1.091 123.790 122.820 -0.202 0.000 1.892 509 A HA -0.231 4.242 4.320 0.256 0.000 0.218 509 A C 2.278 179.800 177.584 -0.104 0.000 1.188 509 A CA 1.887 53.843 52.037 -0.136 0.000 0.631 509 A CB -0.625 18.295 19.000 -0.133 0.000 0.822 509 A HN 0.432 nan 8.150 nan 0.000 0.447 510 R N -0.854 119.577 120.500 -0.114 0.000 2.091 510 R HA -0.069 4.424 4.340 0.256 0.000 0.238 510 R C 2.111 178.387 176.300 -0.039 0.000 1.136 510 R CA 1.582 57.639 56.100 -0.071 0.000 0.959 510 R CB -0.443 29.814 30.300 -0.071 0.000 0.856 510 R HN 0.573 nan 8.270 nan 0.000 0.437 511 L N 0.069 121.262 121.223 -0.049 0.000 2.056 511 L HA -0.177 4.316 4.340 0.256 0.000 0.207 511 L C 2.156 179.030 176.870 0.006 0.000 1.078 511 L CA 1.102 55.946 54.840 0.006 0.000 0.749 511 L CB -0.312 41.757 42.059 0.016 0.000 0.901 511 L HN 0.207 nan 8.230 nan 0.000 0.433 512 L N -0.459 120.751 121.223 -0.023 0.000 2.191 512 L HA -0.188 4.306 4.340 0.256 0.000 0.212 512 L C 2.768 179.631 176.870 -0.012 0.000 1.103 512 L CA 1.362 56.191 54.840 -0.018 0.000 0.769 512 L CB -0.585 41.450 42.059 -0.040 0.000 0.908 512 L HN 0.375 nan 8.230 nan 0.000 0.438 513 S N -1.017 114.673 115.700 -0.016 0.000 2.474 513 S HA -0.150 4.473 4.470 0.256 0.000 0.235 513 S C 1.802 176.404 174.600 0.003 0.000 0.997 513 S CA 0.512 58.706 58.200 -0.011 0.000 0.949 513 S CB -0.173 63.015 63.200 -0.019 0.000 0.766 513 S HN 0.459 nan 8.310 nan 0.000 0.517 514 Q N 1.145 120.954 119.800 0.015 0.000 2.311 514 Q HA 0.246 4.739 4.340 0.256 0.000 0.203 514 Q C 1.479 177.495 176.000 0.028 0.000 0.954 514 Q CA 0.587 56.406 55.803 0.028 0.000 0.885 514 Q CB -0.886 27.880 28.738 0.047 0.000 0.963 514 Q HN 0.734 nan 8.270 nan 0.000 0.471 515 G N 0.279 109.093 108.800 0.023 0.000 2.915 515 G HA2 -0.077 4.036 3.960 0.256 0.000 0.337 515 G HA3 -0.077 4.036 3.960 0.256 0.000 0.337 515 G C 0.495 175.416 174.900 0.035 0.000 1.477 515 G CA 0.188 45.302 45.100 0.024 0.000 0.916 515 G HN 0.723 nan 8.290 nan 0.000 0.550 516 G N -0.404 108.416 108.800 0.033 0.000 2.574 516 G HA2 -0.261 3.852 3.960 0.256 0.000 0.286 516 G HA3 -0.261 3.852 3.960 0.256 0.000 0.286 516 G C 1.235 176.163 174.900 0.047 0.000 1.212 516 G CA 1.282 46.404 45.100 0.038 0.000 0.979 516 G HN 1.455 nan 8.290 nan 0.000 0.557 517 R N 0.460 120.993 120.500 0.055 0.000 2.120 517 R HA 0.055 4.548 4.340 0.256 0.000 0.234 517 R C 3.180 179.535 176.300 0.091 0.000 1.123 517 R CA 1.908 58.048 56.100 0.066 0.000 0.975 517 R CB -0.560 29.785 30.300 0.075 0.000 0.866 517 R HN 0.677 nan 8.270 nan 0.000 0.446 518 A N 1.257 124.137 122.820 0.101 0.000 1.898 518 A HA -0.077 4.396 4.320 0.256 0.000 0.216 518 A C 2.374 180.007 177.584 0.080 0.000 1.181 518 A CA 1.548 53.658 52.037 0.121 0.000 0.620 518 A CB -0.499 18.573 19.000 0.119 0.000 0.819 518 A HN 0.375 nan 8.150 nan 0.000 0.442 519 A N -0.801 122.054 122.820 0.058 0.000 1.902 519 A HA -0.100 4.374 4.320 0.256 0.000 0.217 519 A C 2.304 179.920 177.584 0.053 0.000 1.181 519 A CA 2.335 54.396 52.037 0.039 0.000 0.623 519 A CB -1.358 17.660 19.000 0.028 0.000 0.818 519 A HN 0.428 nan 8.150 nan 0.000 0.443 520 T N -0.490 114.109 114.554 0.075 0.000 2.684 520 T HA -0.228 4.275 4.350 0.256 0.000 0.267 520 T C 1.920 176.683 174.700 0.105 0.000 1.036 520 T CA 1.659 63.835 62.100 0.125 0.000 1.148 520 T CB -0.808 68.088 68.868 0.047 0.000 0.863 520 T HN 0.589 nan 8.240 nan 0.000 0.436 521 C N 1.332 120.655 119.300 0.038 0.000 2.413 521 C HA -0.008 4.605 4.460 0.256 0.000 0.276 521 C C 3.122 178.097 174.990 -0.025 0.000 1.236 521 C CA 0.560 59.549 59.018 -0.048 0.000 1.735 521 C CB -1.603 26.098 27.740 -0.066 0.000 2.031 521 C HN 0.744 nan 8.230 nan 0.000 0.474 522 G N 0.201 109.029 108.800 0.047 0.000 2.421 522 G HA2 -0.284 3.830 3.960 0.256 0.000 0.216 522 G HA3 -0.284 3.830 3.960 0.256 0.000 0.216 522 G C 1.575 176.497 174.900 0.037 0.000 1.171 522 G CA 1.278 46.435 45.100 0.096 0.000 0.775 522 G HN 0.655 nan 8.290 nan 0.000 0.543 523 K N -0.740 119.648 120.400 -0.021 0.000 1.991 523 K HA -0.124 4.350 4.320 0.256 0.000 0.212 523 K C 2.259 178.700 176.600 -0.265 0.000 1.049 523 K CA 1.510 57.714 56.287 -0.138 0.000 0.932 523 K CB -0.371 32.048 32.500 -0.136 0.000 0.717 523 K HN 0.390 nan 8.250 nan 0.000 0.441 524 Y N 0.573 120.682 120.300 -0.319 0.000 2.231 524 Y HA 0.014 4.719 4.550 0.257 0.000 0.294 524 Y C 1.990 177.535 175.900 -0.593 0.000 1.120 524 Y CA 0.863 58.576 58.100 -0.646 0.000 1.141 524 Y CB 0.022 37.852 38.460 -1.051 0.000 1.022 524 Y HN -0.010 nan 8.280 nan 0.000 0.523 525 L N -1.845 119.215 121.223 -0.272 0.000 2.291 525 L HA -0.108 4.386 4.340 0.256 0.000 0.214 525 L C 0.561 177.196 176.870 -0.391 0.000 1.120 525 L CA 1.260 55.914 54.840 -0.310 0.000 0.799 525 L CB -0.237 41.460 42.059 -0.603 0.000 0.925 525 L HN 0.214 nan 8.230 nan 0.000 0.446 526 F N -1.972 117.920 119.950 -0.096 0.000 2.775 526 F HA 0.177 4.859 4.527 0.259 0.000 0.313 526 F C 1.564 177.001 175.800 -0.605 0.000 1.121 526 F CA -0.423 57.295 58.000 -0.469 0.000 1.206 526 F CB -0.385 38.371 39.000 -0.407 0.000 1.052 526 F HN -0.099 nan 8.300 nan 0.000 0.524 527 N N 1.091 119.688 118.700 -0.171 0.000 2.289 527 N HA -0.198 4.696 4.740 0.256 0.000 0.184 527 N C 1.951 177.418 175.510 -0.072 0.000 1.016 527 N CA 1.728 54.703 53.050 -0.126 0.000 0.872 527 N CB -0.179 38.262 38.487 -0.077 0.000 0.973 527 N HN 0.515 nan 8.380 nan 0.000 0.433 528 W N -0.824 120.519 121.300 0.071 0.000 2.525 528 W HA 0.168 4.982 4.660 0.256 0.000 0.259 528 W C 1.250 177.826 176.519 0.095 0.000 1.253 528 W CA 0.606 58.001 57.345 0.084 0.000 1.262 528 W CB -0.756 28.770 29.460 0.110 0.000 1.122 528 W HN 0.061 nan 8.180 nan 0.000 0.607 529 A N 1.466 123.968 122.820 -0.530 0.000 2.030 529 A HA 0.195 4.668 4.320 0.256 0.000 0.215 529 A C 1.117 178.582 177.584 -0.198 0.000 1.164 529 A CA 1.018 52.740 52.037 -0.525 0.000 0.697 529 A CB -0.786 17.610 19.000 -1.008 0.000 0.827 529 A HN 0.091 nan 8.150 nan 0.000 0.457 530 V N -4.107 115.703 119.914 -0.172 0.000 2.612 530 V HA 0.790 5.063 4.120 0.256 0.000 0.301 530 V C 1.144 177.207 176.094 -0.053 0.000 1.046 530 V CA -0.142 62.094 62.300 -0.107 0.000 0.946 530 V CB 0.907 32.656 31.823 -0.123 0.000 1.003 530 V HN 0.328 nan 8.190 nan 0.000 0.459 531 K N 1.731 122.108 120.400 -0.039 0.000 2.062 531 K HA 0.236 4.710 4.320 0.256 0.000 0.205 531 K C 1.368 177.946 176.600 -0.037 0.000 1.051 531 K CA 1.584 57.856 56.287 -0.026 0.000 0.941 531 K CB -1.240 31.250 32.500 -0.017 0.000 0.719 531 K HN 1.443 nan 8.250 nan 0.000 0.440 532 T N 2.370 116.897 114.554 -0.046 0.000 2.997 532 T HA 0.510 5.014 4.350 0.256 0.000 0.311 532 T C 0.081 174.745 174.700 -0.061 0.000 1.079 532 T CA -0.517 61.553 62.100 -0.049 0.000 0.982 532 T CB -0.347 68.493 68.868 -0.046 0.000 1.032 532 T HN 0.276 nan 8.240 nan 0.000 0.581 533 K N 1.632 121.996 120.400 -0.059 0.000 2.258 533 K HA 0.554 5.027 4.320 0.256 0.000 0.264 533 K C -0.005 176.545 176.600 -0.083 0.000 1.007 533 K CA -0.397 55.848 56.287 -0.070 0.000 0.941 533 K CB 0.589 33.056 32.500 -0.056 0.000 0.966 533 K HN 0.380 nan 8.250 nan 0.000 0.480 534 L N 1.846 123.001 121.223 -0.113 0.000 2.387 534 L HA 0.366 4.860 4.340 0.256 0.000 0.266 534 L C 0.237 177.020 176.870 -0.145 0.000 1.059 534 L CA -0.047 54.712 54.840 -0.134 0.000 0.801 534 L CB 0.792 42.745 42.059 -0.176 0.000 1.223 534 L HN 0.598 nan 8.230 nan 0.000 0.456 535 K N 2.344 122.666 120.400 -0.130 0.000 2.292 535 K HA 0.431 4.905 4.320 0.256 0.000 0.290 535 K C -0.727 175.775 176.600 -0.162 0.000 1.083 535 K CA -0.349 55.874 56.287 -0.106 0.000 0.918 535 K CB -0.684 31.779 32.500 -0.061 0.000 1.089 535 K HN 0.372 nan 8.250 nan 0.000 0.473 536 L N 3.674 124.800 121.223 -0.163 0.000 2.295 536 L HA 0.326 4.819 4.340 0.256 0.000 0.288 536 L C 0.936 177.842 176.870 0.061 0.000 1.079 536 L CA -0.055 54.652 54.840 -0.221 0.000 0.830 536 L CB 0.629 42.573 42.059 -0.193 0.000 1.200 536 L HN 0.837 nan 8.230 nan 0.000 0.438 537 T N 1.700 116.353 114.554 0.164 0.000 2.918 537 T HA 0.680 5.184 4.350 0.256 0.000 0.286 537 T C -2.623 172.227 174.700 0.250 0.000 1.026 537 T CA -2.460 59.752 62.100 0.187 0.000 1.031 537 T CB 1.479 70.413 68.868 0.111 0.000 1.046 537 T HN 0.177 nan 8.240 nan 0.000 0.479 538 P HA 0.107 nan 4.420 nan 0.000 0.259 538 P C -0.573 176.760 177.300 0.055 0.000 1.163 538 P CA 0.204 63.362 63.100 0.097 0.000 0.760 538 P CB 0.012 31.749 31.700 0.061 0.000 0.762 539 I N 6.839 127.401 120.570 -0.013 0.000 2.337 539 I HA 0.127 4.451 4.170 0.256 0.000 0.291 539 I C -1.193 174.900 176.117 -0.041 0.000 1.046 539 I CA -1.974 59.284 61.300 -0.070 0.000 1.324 539 I CB 1.180 39.055 38.000 -0.208 0.000 1.409 539 I HN 0.302 nan 8.210 nan 0.000 0.494 540 P HA -0.285 nan 4.420 nan 0.000 0.216 540 P C 1.488 178.771 177.300 -0.028 0.000 1.154 540 P CA 1.500 64.590 63.100 -0.017 0.000 0.865 540 P CB 0.233 31.928 31.700 -0.007 0.000 0.789 541 A N -0.394 122.404 122.820 -0.037 0.000 1.972 541 A HA -0.111 4.363 4.320 0.256 0.000 0.219 541 A C 2.310 179.862 177.584 -0.053 0.000 1.169 541 A CA 2.002 54.015 52.037 -0.040 0.000 0.635 541 A CB -1.488 17.489 19.000 -0.039 0.000 0.810 541 A HN 0.219 nan 8.150 nan 0.000 0.446 542 A N -0.753 122.029 122.820 -0.062 0.000 1.902 542 A HA -0.100 4.373 4.320 0.256 0.000 0.217 542 A C 2.442 179.985 177.584 -0.068 0.000 1.181 542 A CA 2.044 54.039 52.037 -0.070 0.000 0.623 542 A CB -1.015 17.948 19.000 -0.061 0.000 0.818 542 A HN 0.574 nan 8.150 nan 0.000 0.443 543 S N -0.638 115.033 115.700 -0.049 0.000 2.374 543 S HA -0.239 4.385 4.470 0.256 0.000 0.227 543 S C 2.198 176.769 174.600 -0.049 0.000 1.037 543 S CA 2.311 60.486 58.200 -0.042 0.000 1.024 543 S CB -0.409 62.775 63.200 -0.027 0.000 0.861 543 S HN 0.807 nan 8.310 nan 0.000 0.456 544 R N -0.064 120.407 120.500 -0.049 0.000 2.300 544 R HA 0.616 5.110 4.340 0.256 0.000 0.199 544 R C 1.034 177.295 176.300 -0.064 0.000 0.920 544 R CA 0.847 56.919 56.100 -0.047 0.000 1.046 544 R CB -1.794 28.486 30.300 -0.033 0.000 0.984 544 R HN 0.655 nan 8.270 nan 0.000 0.493 545 L N 1.598 122.769 121.223 -0.088 0.000 2.562 545 L HA 0.495 4.988 4.340 0.256 0.000 0.271 545 L C 0.619 177.394 176.870 -0.159 0.000 1.167 545 L CA 0.380 55.145 54.840 -0.126 0.000 0.917 545 L CB -1.419 40.541 42.059 -0.164 0.000 1.187 545 L HN 0.664 nan 8.230 nan 0.000 0.482 546 D N 3.419 123.737 120.400 -0.136 0.000 2.551 546 D HA 0.461 5.254 4.640 0.256 0.000 0.223 546 D C 0.558 176.733 176.300 -0.209 0.000 1.144 546 D CA -0.384 53.541 54.000 -0.126 0.000 1.025 546 D CB 0.312 41.076 40.800 -0.060 0.000 1.085 546 D HN 0.671 nan 8.370 nan 0.000 0.506 547 L N 1.054 122.079 121.223 -0.331 0.000 2.737 547 L HA 0.313 4.806 4.340 0.256 0.000 0.236 547 L C 1.928 178.601 176.870 -0.329 0.000 1.219 547 L CA 0.063 54.515 54.840 -0.647 0.000 1.021 547 L CB -0.219 41.356 42.059 -0.808 0.000 1.291 547 L HN 0.501 nan 8.230 nan 0.000 0.470 548 S N -0.481 115.151 115.700 -0.112 0.000 2.549 548 S HA 0.454 5.078 4.470 0.256 0.000 0.283 548 S C 1.522 176.179 174.600 0.096 0.000 1.320 548 S CA 0.235 58.436 58.200 0.001 0.000 1.058 548 S CB 0.059 63.255 63.200 -0.007 0.000 0.882 548 S HN 0.588 nan 8.310 nan 0.000 0.498 549 G N 0.910 109.770 108.800 0.101 0.000 2.195 549 G HA2 -0.202 3.912 3.960 0.256 0.000 0.246 549 G HA3 -0.202 3.912 3.960 0.256 0.000 0.246 549 G C 0.798 175.802 174.900 0.174 0.000 0.984 549 G CA 0.676 45.808 45.100 0.053 0.000 0.633 549 G HN 0.667 nan 8.290 nan 0.000 0.525 550 W N 0.187 121.414 121.300 -0.122 0.000 2.381 550 W HA 0.444 5.224 4.660 0.201 0.000 0.301 550 W C 1.098 177.231 176.519 -0.645 0.000 1.205 550 W CA 1.352 58.443 57.345 -0.422 0.000 1.285 550 W CB -0.262 28.822 29.460 -0.626 0.000 1.133 550 W HN 0.205 nan 8.180 nan 0.000 0.521 551 F N -0.858 119.280 119.950 0.313 0.000 2.622 551 F HA 0.327 4.902 4.527 0.080 0.000 0.338 551 F C 0.396 176.341 175.800 0.243 0.000 1.334 551 F CA -0.401 57.790 58.000 0.318 0.000 1.179 551 F CB 0.108 39.261 39.000 0.257 0.000 1.471 551 F HN -0.412 nan 8.300 nan 0.000 0.576 552 V N 0.227 120.344 119.914 0.338 0.000 2.948 552 V HA 0.621 4.894 4.120 0.256 0.000 0.234 552 V C 0.782 177.011 176.094 0.226 0.000 1.205 552 V CA 0.649 63.087 62.300 0.229 0.000 1.234 552 V CB 0.758 32.688 31.823 0.178 0.000 1.020 552 V HN 0.474 nan 8.190 nan 0.000 0.491 553 A N -0.749 122.167 122.820 0.161 0.000 2.593 553 A HA 0.802 5.275 4.320 0.256 0.000 0.290 553 A C -0.333 176.897 177.584 -0.589 0.000 1.126 553 A CA 0.072 52.039 52.037 -0.116 0.000 0.695 553 A CB 1.289 20.074 19.000 -0.359 0.000 1.290 553 A HN 0.416 nan 8.150 nan 0.000 0.414 554 G N -1.144 107.036 108.800 -1.033 0.000 2.356 554 G HA2 0.555 4.668 3.960 0.256 0.000 0.322 554 G HA3 0.555 4.668 3.960 0.256 0.000 0.322 554 G C -0.989 173.277 174.900 -1.056 0.000 1.125 554 G CA -0.128 44.084 45.100 -1.481 0.000 0.885 554 G HN 0.592 nan 8.290 nan 0.000 0.467 555 Y N 1.088 121.206 120.300 -0.305 0.000 2.742 555 Y HA 0.318 5.015 4.550 0.245 0.000 0.248 555 Y C 1.277 177.107 175.900 -0.116 0.000 1.132 555 Y CA -0.813 57.194 58.100 -0.154 0.000 1.142 555 Y CB 0.604 39.006 38.460 -0.097 0.000 1.222 555 Y HN 0.481 nan 8.280 nan 0.000 0.575 556 S N 0.873 116.548 115.700 -0.042 0.000 2.515 556 S HA 0.346 4.970 4.470 0.256 0.000 0.285 556 S C 1.396 176.019 174.600 0.038 0.000 1.265 556 S CA 1.377 59.584 58.200 0.010 0.000 1.079 556 S CB 0.015 63.226 63.200 0.018 0.000 0.877 556 S HN 1.025 nan 8.310 nan 0.000 0.493 557 G N 3.627 112.453 108.800 0.044 0.000 2.205 557 G HA2 -0.235 3.878 3.960 0.256 0.000 0.261 557 G HA3 -0.235 3.878 3.960 0.256 0.000 0.261 557 G C 0.859 175.795 174.900 0.059 0.000 0.980 557 G CA 0.395 45.528 45.100 0.056 0.000 0.632 557 G HN 1.233 nan 8.290 nan 0.000 0.533 558 G N -0.210 108.629 108.800 0.064 0.000 2.985 558 G HA2 0.379 4.492 3.960 0.256 0.000 0.209 558 G HA3 0.379 4.492 3.960 0.256 0.000 0.209 558 G C 0.491 175.416 174.900 0.043 0.000 1.165 558 G CA 1.180 46.334 45.100 0.089 0.000 0.776 558 G HN 1.274 nan 8.290 nan 0.000 0.541 559 D N -0.516 119.878 120.400 -0.011 0.000 2.737 559 D HA -0.154 4.639 4.640 0.256 0.000 0.243 559 D C -0.162 176.067 176.300 -0.118 0.000 1.109 559 D CA 0.281 54.244 54.000 -0.061 0.000 0.702 559 D CB -1.273 39.506 40.800 -0.036 0.000 1.068 559 D HN 0.128 nan 8.370 nan 0.000 0.432 560 I N 1.391 121.851 120.570 -0.183 0.000 2.377 560 I HA 0.354 4.677 4.170 0.256 0.000 0.293 560 I C -0.051 175.801 176.117 -0.442 0.000 0.987 560 I CA -0.731 60.342 61.300 -0.379 0.000 1.185 560 I CB 1.229 38.852 38.000 -0.629 0.000 1.341 560 I HN 0.104 nan 8.210 nan 0.000 0.455 561 Y N 5.881 125.816 120.300 -0.609 0.000 2.350 561 Y HA 0.469 5.177 4.550 0.263 0.000 0.338 561 Y C -0.441 175.081 175.900 -0.630 0.000 0.961 561 Y CA -0.371 57.379 58.100 -0.582 0.000 1.100 561 Y CB 1.242 39.486 38.460 -0.361 0.000 1.179 561 Y HN 0.612 nan 8.280 nan 0.000 0.454 562 H N 0.000 118.479 119.070 -0.985 0.000 2.539 562 H HA 0.000 4.712 4.556 0.260 0.000 0.296 562 H CA 0.000 55.628 56.048 -0.700 0.000 1.023 562 H CB 0.000 29.380 29.762 -0.637 0.000 1.292 562 H HN 0.000 nan 8.280 nan 0.000 0.496