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 3h98_1_B DATA FIRST_RESID 0 DATA SEQUENCE HHMSYTWTGA LITPCAAEES KLPINALSNS LLRHHNMVYA TTSRSAGLRQ DATA SEQUENCE KKVTFDRLQV LDDHYRDVLK EMKAKASTVK AKLLSVEEAC KLTPPHSAKS DATA SEQUENCE KFGYGAKDVR NLSSKAVNHI HSVWKDLLED TVTPIDTTIM AKNEVFCVQX DATA SEQUENCE XXXGRKPARL 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 PXASRLDLSG DATA SEQUENCE WFVAGYSGGD IYHS 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 0.000 175.106 175.328 -0.371 0.000 0.993 0 H CA 0.000 55.954 56.048 -0.157 0.000 1.023 0 H CB 0.000 29.719 29.762 -0.071 0.000 1.292 1 H N 3.500 122.563 119.070 -0.012 0.000 2.348 1 H HA 0.252 4.812 4.556 0.006 0.000 0.232 1 H C -0.230 175.067 175.328 -0.052 0.000 1.419 1 H CA -0.574 55.455 56.048 -0.032 0.000 1.416 1 H CB 0.235 29.982 29.762 -0.026 0.000 1.510 1 H HN 0.523 nan 8.280 nan 0.000 0.507 2 M N 1.330 120.920 119.600 -0.017 0.000 2.217 2 M HA 0.041 4.525 4.480 0.006 0.000 0.354 2 M C 1.776 177.976 176.300 -0.167 0.000 1.225 2 M CA -0.001 55.262 55.300 -0.061 0.000 1.137 2 M CB 1.119 33.691 32.600 -0.047 0.000 1.576 2 M HN 0.361 nan 8.290 nan 0.000 0.461 3 S N 2.321 117.845 115.700 -0.292 0.000 2.399 3 S HA -0.091 4.383 4.470 0.006 0.000 0.231 3 S C 0.068 174.264 174.600 -0.672 0.000 1.022 3 S CA 0.997 58.896 58.200 -0.501 0.000 0.983 3 S CB -0.224 62.586 63.200 -0.650 0.000 0.803 3 S HN 0.655 nan 8.310 nan 0.000 0.480 4 Y N 0.646 120.763 120.300 -0.305 0.000 2.571 4 Y HA 0.541 5.096 4.550 0.007 0.000 0.341 4 Y C 0.071 175.638 175.900 -0.555 0.000 1.076 4 Y CA -0.921 56.860 58.100 -0.532 0.000 1.029 4 Y CB 1.865 39.807 38.460 -0.862 0.000 1.308 4 Y HN 0.136 nan 8.280 nan 0.000 0.461 5 T N -2.510 111.786 114.554 -0.431 0.000 2.942 5 T HA 0.763 5.117 4.350 0.006 0.000 0.289 5 T C -1.342 173.105 174.700 -0.421 0.000 1.044 5 T CA -0.861 61.050 62.100 -0.315 0.000 1.023 5 T CB 1.633 70.439 68.868 -0.102 0.000 1.123 5 T HN 0.592 nan 8.240 nan 0.000 0.512 6 W N 0.294 121.647 121.300 0.089 0.000 3.129 6 W HA 0.415 5.079 4.660 0.005 0.000 0.333 6 W C 1.100 177.646 176.519 0.045 0.000 1.141 6 W CA -0.921 56.461 57.345 0.063 0.000 1.224 6 W CB 2.255 31.738 29.460 0.039 0.000 1.393 6 W HN 0.937 nan 8.180 nan 0.000 0.499 7 T N -1.832 112.900 114.554 0.296 0.000 3.081 7 T HA 0.281 4.635 4.350 0.006 0.000 0.255 7 T C 1.535 176.316 174.700 0.135 0.000 1.113 7 T CA 0.938 63.138 62.100 0.168 0.000 1.082 7 T CB 0.111 69.057 68.868 0.129 0.000 0.939 7 T HN 1.222 nan 8.240 nan 0.000 0.506 8 G N 1.500 110.389 108.800 0.148 0.000 2.258 8 G HA2 -0.095 3.868 3.960 0.006 0.000 0.233 8 G HA3 -0.095 3.868 3.960 0.006 0.000 0.233 8 G C 0.490 175.409 174.900 0.033 0.000 1.006 8 G CA -0.107 45.031 45.100 0.064 0.000 0.620 8 G HN 1.228 nan 8.290 nan 0.000 0.511 9 A N 1.025 123.879 122.820 0.055 0.000 2.555 9 A HA 0.518 4.842 4.320 0.006 0.000 0.233 9 A C 0.890 178.478 177.584 0.006 0.000 1.060 9 A CA 0.559 52.616 52.037 0.034 0.000 0.759 9 A CB 0.106 19.136 19.000 0.049 0.000 0.995 9 A HN 0.961 nan 8.150 nan 0.000 0.506 10 L N 1.475 122.690 121.223 -0.013 0.000 2.421 10 L HA 0.344 4.688 4.340 0.006 0.000 0.263 10 L C 0.089 176.940 176.870 -0.032 0.000 1.122 10 L CA -0.397 54.416 54.840 -0.043 0.000 0.804 10 L CB 0.818 42.856 42.059 -0.035 0.000 1.150 10 L HN 0.570 nan 8.230 nan 0.000 0.457 11 I N 1.267 121.802 120.570 -0.058 0.000 2.352 11 I HA 0.147 4.321 4.170 0.006 0.000 0.290 11 I C 0.327 176.437 176.117 -0.011 0.000 1.036 11 I CA -0.064 61.219 61.300 -0.029 0.000 1.336 11 I CB 1.274 39.243 38.000 -0.052 0.000 1.407 11 I HN 0.650 nan 8.210 nan 0.000 0.497 12 T N 4.619 119.178 114.554 0.007 0.000 2.940 12 T HA 0.608 4.962 4.350 0.006 0.000 0.288 12 T C -2.560 172.156 174.700 0.026 0.000 1.033 12 T CA -2.082 60.025 62.100 0.012 0.000 1.033 12 T CB 1.866 70.741 68.868 0.011 0.000 1.079 12 T HN 0.249 nan 8.240 nan 0.000 0.496 13 P HA 0.315 nan 4.420 nan 0.000 0.276 13 P C 0.100 177.422 177.300 0.037 0.000 1.252 13 P CA -0.636 62.486 63.100 0.036 0.000 0.802 13 P CB 0.972 32.693 31.700 0.035 0.000 1.035 14 C N 0.045 119.371 119.300 0.043 0.000 2.674 14 C HA 0.579 5.043 4.460 0.006 0.000 0.276 14 C C 0.963 175.973 174.990 0.033 0.000 1.300 14 C CA 1.002 60.045 59.018 0.041 0.000 1.732 14 C CB -0.834 26.936 27.740 0.050 0.000 2.076 14 C HN 0.756 nan 8.230 nan 0.000 0.548 15 A N -0.950 121.891 122.820 0.035 0.000 2.566 15 A HA 0.663 4.987 4.320 0.006 0.000 0.290 15 A C -0.699 176.909 177.584 0.040 0.000 1.071 15 A CA 0.137 52.194 52.037 0.034 0.000 0.658 15 A CB -0.395 18.625 19.000 0.034 0.000 1.285 15 A HN 0.906 nan 8.150 nan 0.000 0.427 16 A N 0.337 123.182 122.820 0.042 0.000 2.598 16 A HA 0.422 4.746 4.320 0.006 0.000 0.239 16 A C 0.142 177.766 177.584 0.066 0.000 1.032 16 A CA 0.992 53.059 52.037 0.051 0.000 0.760 16 A CB -0.465 18.565 19.000 0.050 0.000 0.946 16 A HN 0.611 nan 8.150 nan 0.000 0.512 17 E N 1.580 121.824 120.200 0.072 0.000 2.183 17 E HA 0.398 4.751 4.350 0.006 0.000 0.271 17 E C -0.877 175.798 176.600 0.126 0.000 0.919 17 E CA -0.489 55.967 56.400 0.093 0.000 0.781 17 E CB 1.761 31.508 29.700 0.078 0.000 1.140 17 E HN 0.753 nan 8.360 nan 0.000 0.402 18 E N 0.931 121.246 120.200 0.191 0.000 2.171 18 E HA 0.151 4.505 4.350 0.006 0.000 0.271 18 E C 0.092 176.904 176.600 0.353 0.000 0.916 18 E CA -0.203 56.353 56.400 0.259 0.000 0.774 18 E CB 1.549 31.442 29.700 0.322 0.000 1.128 18 E HN 0.567 nan 8.360 nan 0.000 0.403 19 S N 1.295 117.178 115.700 0.304 0.000 2.502 19 S HA 0.078 4.552 4.470 0.006 0.000 0.228 19 S C 1.127 175.991 174.600 0.441 0.000 1.061 19 S CA -0.235 58.174 58.200 0.348 0.000 0.935 19 S CB -0.084 63.260 63.200 0.240 0.000 0.809 19 S HN 0.359 nan 8.310 nan 0.000 0.510 20 K N 2.051 122.621 120.400 0.285 0.000 2.298 20 K HA 0.602 4.925 4.320 0.006 0.000 0.280 20 K C -0.276 176.316 176.600 -0.013 0.000 1.032 20 K CA -0.680 55.718 56.287 0.184 0.000 0.958 20 K CB -0.403 32.148 32.500 0.084 0.000 0.978 20 K HN 0.421 nan 8.250 nan 0.000 0.472 21 L N 4.087 125.289 121.223 -0.037 0.000 2.660 21 L HA 0.145 4.489 4.340 0.006 0.000 0.272 21 L C -2.186 174.372 176.870 -0.519 0.000 1.194 21 L CA -1.327 53.266 54.840 -0.411 0.000 0.945 21 L CB 0.025 42.022 42.059 -0.103 0.000 1.212 21 L HN 0.552 nan 8.230 nan 0.000 0.490 22 P HA 0.192 nan 4.420 nan 0.000 0.268 22 P C -0.935 176.113 177.300 -0.421 0.000 1.205 22 P CA 0.021 62.802 63.100 -0.533 0.000 0.771 22 P CB 0.533 31.868 31.700 -0.608 0.000 0.858 23 I N 3.142 123.532 120.570 -0.301 0.000 2.465 23 I HA 0.360 4.534 4.170 0.006 0.000 0.291 23 I C 0.376 176.386 176.117 -0.178 0.000 1.014 23 I CA -0.626 60.508 61.300 -0.277 0.000 1.093 23 I CB 1.497 39.331 38.000 -0.276 0.000 1.267 23 I HN 0.484 nan 8.210 nan 0.000 0.431 24 N N 4.379 122.991 118.700 -0.146 0.000 3.283 24 N HA 0.450 5.194 4.740 0.006 0.000 0.338 24 N C 0.342 175.816 175.510 -0.060 0.000 1.517 24 N CA -0.437 52.557 53.050 -0.093 0.000 0.733 24 N CB 0.666 39.097 38.487 -0.093 0.000 1.797 24 N HN 0.364 nan 8.380 nan 0.000 0.637 25 A N -0.659 122.136 122.820 -0.042 0.000 2.168 25 A HA 0.187 4.511 4.320 0.006 0.000 0.215 25 A C 1.623 179.198 177.584 -0.016 0.000 1.152 25 A CA 0.658 52.681 52.037 -0.025 0.000 0.716 25 A CB -0.884 18.102 19.000 -0.024 0.000 0.794 25 A HN 0.526 nan 8.150 nan 0.000 0.465 26 L N -1.422 119.790 121.223 -0.018 0.000 2.554 26 L HA 0.063 4.407 4.340 0.006 0.000 0.225 26 L C 2.362 179.269 176.870 0.062 0.000 1.104 26 L CA 0.312 55.159 54.840 0.013 0.000 0.866 26 L CB -0.022 42.024 42.059 -0.021 0.000 1.047 26 L HN 0.217 nan 8.230 nan 0.000 0.468 27 S N 0.538 116.246 115.700 0.014 0.000 2.348 27 S HA -0.129 4.344 4.470 0.006 0.000 0.221 27 S C 1.696 176.338 174.600 0.071 0.000 1.033 27 S CA 1.348 59.549 58.200 0.001 0.000 1.010 27 S CB -0.214 62.910 63.200 -0.127 0.000 0.891 27 S HN 0.447 nan 8.310 nan 0.000 0.442 28 N N 1.681 120.440 118.700 0.099 0.000 2.348 28 N HA -0.073 4.671 4.740 0.006 0.000 0.185 28 N C 1.819 177.366 175.510 0.061 0.000 1.019 28 N CA 1.255 54.379 53.050 0.124 0.000 0.880 28 N CB -0.500 38.047 38.487 0.100 0.000 0.965 28 N HN 0.569 nan 8.380 nan 0.000 0.437 29 S N -0.528 115.203 115.700 0.052 0.000 2.481 29 S HA -0.034 4.440 4.470 0.006 0.000 0.231 29 S C 1.739 176.372 174.600 0.054 0.000 0.996 29 S CA 0.383 58.595 58.200 0.020 0.000 0.942 29 S CB -0.085 63.135 63.200 0.033 0.000 0.768 29 S HN 0.230 nan 8.310 nan 0.000 0.520 30 L N -0.108 121.153 121.223 0.064 0.000 2.349 30 L HA 0.607 4.951 4.340 0.006 0.000 0.200 30 L C 0.081 177.008 176.870 0.095 0.000 1.064 30 L CA 0.774 55.642 54.840 0.046 0.000 0.821 30 L CB 0.231 42.051 42.059 -0.397 0.000 1.027 30 L HN 0.498 nan 8.230 nan 0.000 0.476 31 L N -1.408 119.862 121.223 0.079 0.000 2.543 31 L HA 0.326 4.670 4.340 0.006 0.000 0.265 31 L C 0.206 177.159 176.870 0.138 0.000 0.945 31 L CA -0.445 54.448 54.840 0.087 0.000 0.869 31 L CB 1.804 43.927 42.059 0.106 0.000 1.294 31 L HN -0.230 nan 8.230 nan 0.000 0.405 32 R N 0.211 120.700 120.500 -0.018 0.000 2.206 32 R HA 0.218 4.562 4.340 0.006 0.000 0.198 32 R C 0.392 176.541 176.300 -0.252 0.000 0.986 32 R CA 0.622 56.639 56.100 -0.140 0.000 1.029 32 R CB -0.406 29.827 30.300 -0.112 0.000 0.966 32 R HN 0.705 nan 8.270 nan 0.000 0.487 33 H N 0.642 119.640 119.070 -0.120 0.000 2.855 33 H HA 0.204 4.763 4.556 0.006 0.000 0.238 33 H C 0.646 175.991 175.328 0.027 0.000 1.847 33 H CA -0.247 55.751 56.048 -0.083 0.000 1.368 33 H CB -0.141 29.616 29.762 -0.007 0.000 1.758 33 H HN 0.541 nan 8.280 nan 0.000 0.546 34 H N 0.825 119.985 119.070 0.151 0.000 2.421 34 H HA -0.148 4.413 4.556 0.007 0.000 0.298 34 H C 1.644 177.042 175.328 0.117 0.000 1.087 34 H CA 1.182 57.294 56.048 0.106 0.000 1.330 34 H CB 0.286 30.084 29.762 0.060 0.000 1.388 34 H HN 0.640 nan 8.280 nan 0.000 0.526 35 N N 0.559 119.381 118.700 0.203 0.000 2.461 35 N HA -0.053 4.690 4.740 0.006 0.000 0.188 35 N C 1.163 176.774 175.510 0.169 0.000 1.134 35 N CA 0.474 53.621 53.050 0.161 0.000 0.878 35 N CB -0.170 38.375 38.487 0.096 0.000 0.972 35 N HN 0.369 nan 8.380 nan 0.000 0.456 36 M N -0.245 119.470 119.600 0.192 0.000 2.506 36 M HA 0.113 4.597 4.480 0.006 0.000 0.260 36 M C -0.256 176.217 176.300 0.288 0.000 1.104 36 M CA 0.319 55.742 55.300 0.205 0.000 1.112 36 M CB 0.398 33.111 32.600 0.188 0.000 1.401 36 M HN -0.043 nan 8.290 nan 0.000 0.473 37 V N 1.317 121.415 119.914 0.307 0.000 2.398 37 V HA 0.311 4.435 4.120 0.006 0.000 0.286 37 V C -0.799 175.570 176.094 0.459 0.000 1.026 37 V CA -0.795 61.711 62.300 0.343 0.000 0.868 37 V CB 0.580 32.580 31.823 0.295 0.000 0.982 37 V HN 0.285 nan 8.190 nan 0.000 0.443 38 Y N 2.785 123.253 120.300 0.279 0.000 2.581 38 Y HA 0.936 5.488 4.550 0.005 0.000 0.345 38 Y C -0.283 175.737 175.900 0.199 0.000 1.036 38 Y CA -1.537 56.739 58.100 0.293 0.000 1.042 38 Y CB 1.550 40.135 38.460 0.207 0.000 1.289 38 Y HN 0.691 nan 8.280 nan 0.000 0.471 39 A N 1.384 124.284 122.820 0.132 0.000 2.320 39 A HA 0.686 5.010 4.320 0.006 0.000 0.334 39 A C 0.002 177.652 177.584 0.111 0.000 1.147 39 A CA -0.327 51.578 52.037 -0.220 0.000 0.820 39 A CB 0.370 19.042 19.000 -0.548 0.000 1.218 39 A HN 1.072 nan 8.150 nan 0.000 0.482 40 T N -0.320 114.284 114.554 0.084 0.000 2.899 40 T HA 0.559 4.913 4.350 0.006 0.000 0.295 40 T C 0.348 175.110 174.700 0.104 0.000 1.033 40 T CA 0.381 62.596 62.100 0.191 0.000 1.084 40 T CB 0.775 69.782 68.868 0.232 0.000 0.979 40 T HN 1.487 nan 8.240 nan 0.000 0.532 41 T N -1.998 112.622 114.554 0.110 0.000 2.838 41 T HA 0.472 4.826 4.350 0.006 0.000 0.292 41 T C 1.443 176.178 174.700 0.058 0.000 1.113 41 T CA -0.205 61.941 62.100 0.077 0.000 1.008 41 T CB 1.179 70.098 68.868 0.085 0.000 1.259 41 T HN 0.776 nan 8.240 nan 0.000 0.520 42 S N 0.233 115.959 115.700 0.044 0.000 2.440 42 S HA -0.168 4.306 4.470 0.006 0.000 0.238 42 S C 1.827 176.434 174.600 0.012 0.000 1.010 42 S CA 0.703 58.918 58.200 0.025 0.000 0.972 42 S CB -0.755 62.457 63.200 0.020 0.000 0.774 42 S HN 0.724 nan 8.310 nan 0.000 0.501 43 R N 1.414 121.929 120.500 0.025 0.000 2.159 43 R HA -0.063 4.281 4.340 0.006 0.000 0.237 43 R C 2.438 178.740 176.300 0.003 0.000 1.131 43 R CA 1.540 57.649 56.100 0.015 0.000 0.982 43 R CB -0.505 29.812 30.300 0.028 0.000 0.868 43 R HN 0.753 nan 8.270 nan 0.000 0.453 44 S N -0.679 115.029 115.700 0.013 0.000 2.556 44 S HA 0.188 4.661 4.470 0.006 0.000 0.216 44 S C 1.924 176.509 174.600 -0.024 0.000 0.970 44 S CA 0.255 58.456 58.200 0.001 0.000 0.912 44 S CB 0.669 63.886 63.200 0.028 0.000 0.790 44 S HN 0.277 nan 8.310 nan 0.000 0.504 45 A N 2.263 125.062 122.820 -0.036 0.000 1.917 45 A HA 0.076 4.399 4.320 0.006 0.000 0.219 45 A C 2.385 179.879 177.584 -0.149 0.000 1.182 45 A CA 1.847 53.837 52.037 -0.079 0.000 0.633 45 A CB -1.970 16.980 19.000 -0.082 0.000 0.819 45 A HN 0.727 nan 8.150 nan 0.000 0.448 46 G N -0.178 108.531 108.800 -0.151 0.000 2.624 46 G HA2 -0.343 3.620 3.960 0.006 0.000 0.221 46 G HA3 -0.343 3.620 3.960 0.006 0.000 0.221 46 G C 1.579 176.387 174.900 -0.154 0.000 1.169 46 G CA 1.344 46.337 45.100 -0.179 0.000 0.771 46 G HN 0.474 nan 8.290 nan 0.000 0.598 47 L N -0.320 120.849 121.223 -0.089 0.000 2.083 47 L HA -0.031 4.312 4.340 0.006 0.000 0.209 47 L C 2.985 179.830 176.870 -0.042 0.000 1.083 47 L CA 1.402 56.209 54.840 -0.055 0.000 0.752 47 L CB -0.209 41.832 42.059 -0.029 0.000 0.899 47 L HN 0.223 nan 8.230 nan 0.000 0.433 48 R N 0.057 120.527 120.500 -0.049 0.000 2.075 48 R HA -0.165 4.179 4.340 0.006 0.000 0.232 48 R C 2.170 178.449 176.300 -0.034 0.000 1.126 48 R CA 1.527 57.617 56.100 -0.016 0.000 0.963 48 R CB -0.365 29.930 30.300 -0.007 0.000 0.858 48 R HN 0.343 nan 8.270 nan 0.000 0.435 49 Q N 0.194 119.896 119.800 -0.164 0.000 2.077 49 Q HA -0.231 4.112 4.340 0.006 0.000 0.206 49 Q C 2.035 178.011 176.000 -0.041 0.000 0.989 49 Q CA 2.410 58.050 55.803 -0.273 0.000 0.853 49 Q CB -0.142 28.131 28.738 -0.775 0.000 0.907 49 Q HN 0.312 nan 8.270 nan 0.000 0.418 50 K N 0.583 120.952 120.400 -0.052 0.000 2.032 50 K HA -0.170 4.154 4.320 0.006 0.000 0.209 50 K C 2.039 178.725 176.600 0.143 0.000 1.048 50 K CA 1.374 57.694 56.287 0.054 0.000 0.927 50 K CB -0.017 32.492 32.500 0.016 0.000 0.712 50 K HN 0.083 nan 8.250 nan 0.000 0.441 51 K N 0.414 120.886 120.400 0.122 0.000 2.057 51 K HA -0.119 4.204 4.320 0.006 0.000 0.207 51 K C 2.018 178.817 176.600 0.332 0.000 1.049 51 K CA 1.710 58.102 56.287 0.174 0.000 0.931 51 K CB -0.121 32.451 32.500 0.121 0.000 0.714 51 K HN 0.169 nan 8.250 nan 0.000 0.440 52 V N -1.169 118.935 119.914 0.316 0.000 3.461 52 V HA 0.023 4.146 4.120 0.006 0.000 0.267 52 V C 0.488 176.807 176.094 0.375 0.000 1.186 52 V CA 0.381 62.928 62.300 0.410 0.000 1.154 52 V CB -0.255 31.755 31.823 0.311 0.000 0.802 52 V HN -0.017 nan 8.190 nan 0.000 0.474 53 T N 4.357 119.167 114.554 0.427 0.000 2.738 53 T HA 0.696 5.050 4.350 0.006 0.000 0.298 53 T C -0.706 174.227 174.700 0.389 0.000 0.962 53 T CA -0.004 62.312 62.100 0.360 0.000 0.972 53 T CB 0.130 69.289 68.868 0.484 0.000 0.928 53 T HN 0.643 nan 8.240 nan 0.000 0.474 54 F N -0.200 119.856 119.950 0.177 0.000 2.773 54 F HA 0.640 5.171 4.527 0.006 0.000 0.314 54 F C -1.363 174.487 175.800 0.083 0.000 1.160 54 F CA -1.673 56.395 58.000 0.114 0.000 0.920 54 F CB 0.839 39.897 39.000 0.097 0.000 1.323 54 F HN 0.221 nan 8.300 nan 0.000 0.457 55 D N 0.887 121.495 120.400 0.346 0.000 2.249 55 D HA 0.457 5.101 4.640 0.006 0.000 0.246 55 D C -0.887 175.574 176.300 0.268 0.000 1.114 55 D CA -0.153 53.971 54.000 0.208 0.000 0.854 55 D CB 0.933 41.831 40.800 0.164 0.000 1.132 55 D HN 0.548 nan 8.370 nan 0.000 0.461 56 R N 2.675 123.283 120.500 0.180 0.000 2.312 56 R HA 0.595 4.939 4.340 0.006 0.000 0.311 56 R C -0.854 175.485 176.300 0.066 0.000 1.004 56 R CA -0.606 55.582 56.100 0.147 0.000 0.902 56 R CB 0.850 31.192 30.300 0.071 0.000 1.073 56 R HN 0.348 nan 8.270 nan 0.000 0.457 57 L N 1.782 123.028 121.223 0.037 0.000 2.346 57 L HA 0.500 4.844 4.340 0.006 0.000 0.276 57 L C -0.513 176.323 176.870 -0.056 0.000 1.006 57 L CA -0.223 54.598 54.840 -0.032 0.000 0.817 57 L CB 1.922 43.982 42.059 0.002 0.000 1.272 57 L HN 0.518 nan 8.230 nan 0.000 0.421 58 Q N 1.902 121.640 119.800 -0.104 0.000 2.285 58 Q HA 0.739 5.083 4.340 0.006 0.000 0.269 58 Q C -1.653 174.287 176.000 -0.100 0.000 1.030 58 Q CA -0.705 55.040 55.803 -0.096 0.000 0.788 58 Q CB 2.582 31.240 28.738 -0.135 0.000 1.266 58 Q HN 0.527 nan 8.270 nan 0.000 0.438 59 V N 2.164 122.039 119.914 -0.066 0.000 2.443 59 V HA 0.629 4.753 4.120 0.006 0.000 0.293 59 V C -1.000 175.080 176.094 -0.024 0.000 1.021 59 V CA -0.763 61.501 62.300 -0.059 0.000 0.848 59 V CB 1.214 33.007 31.823 -0.050 0.000 0.998 59 V HN 0.679 nan 8.190 nan 0.000 0.424 60 L N 5.624 126.794 121.223 -0.089 0.000 2.298 60 L HA 0.659 5.002 4.340 0.006 0.000 0.284 60 L C -0.206 176.661 176.870 -0.004 0.000 1.013 60 L CA -0.464 54.287 54.840 -0.148 0.000 0.824 60 L CB 1.568 43.347 42.059 -0.467 0.000 1.221 60 L HN 0.900 nan 8.230 nan 0.000 0.418 61 D N 0.507 120.985 120.400 0.130 0.000 2.588 61 D HA 0.140 4.783 4.640 0.006 0.000 0.268 61 D C 0.286 176.643 176.300 0.095 0.000 1.176 61 D CA -0.580 53.480 54.000 0.100 0.000 1.080 61 D CB 0.830 41.699 40.800 0.115 0.000 1.186 61 D HN 0.264 nan 8.370 nan 0.000 0.619 62 D N -1.189 119.206 120.400 -0.009 0.000 2.144 62 D HA -0.141 4.502 4.640 0.006 0.000 0.200 62 D C 1.818 178.110 176.300 -0.013 0.000 0.978 62 D CA 1.074 55.047 54.000 -0.046 0.000 0.833 62 D CB -0.179 40.547 40.800 -0.122 0.000 0.961 62 D HN 0.419 nan 8.370 nan 0.000 0.470 63 H N -0.441 118.689 119.070 0.100 0.000 2.387 63 H HA -0.159 4.401 4.556 0.006 0.000 0.299 63 H C 2.016 177.375 175.328 0.053 0.000 1.099 63 H CA 0.921 57.019 56.048 0.084 0.000 1.315 63 H CB -0.635 29.202 29.762 0.124 0.000 1.380 63 H HN 0.323 nan 8.280 nan 0.000 0.513 64 Y N 1.851 122.175 120.300 0.040 0.000 2.128 64 Y HA -0.217 4.336 4.550 0.006 0.000 0.284 64 Y C 2.707 178.548 175.900 -0.098 0.000 1.154 64 Y CA 1.633 59.633 58.100 -0.167 0.000 1.149 64 Y CB -0.054 38.204 38.460 -0.336 0.000 0.976 64 Y HN -0.059 nan 8.280 nan 0.000 0.505 65 R N -0.048 120.506 120.500 0.090 0.000 2.115 65 R HA -0.119 4.225 4.340 0.006 0.000 0.226 65 R C 1.756 178.023 176.300 -0.055 0.000 1.100 65 R CA 1.224 57.328 56.100 0.007 0.000 0.980 65 R CB -0.231 30.114 30.300 0.076 0.000 0.875 65 R HN 0.395 nan 8.270 nan 0.000 0.445 66 D N 0.192 120.582 120.400 -0.017 0.000 2.104 66 D HA -0.149 4.495 4.640 0.006 0.000 0.194 66 D C 1.904 178.180 176.300 -0.040 0.000 0.994 66 D CA 1.180 55.173 54.000 -0.011 0.000 0.830 66 D CB -0.237 40.584 40.800 0.035 0.000 0.959 66 D HN -0.004 nan 8.370 nan 0.000 0.452 67 V N 0.942 120.811 119.914 -0.074 0.000 2.343 67 V HA -0.197 3.927 4.120 0.006 0.000 0.247 67 V C 2.442 178.465 176.094 -0.119 0.000 1.051 67 V CA 1.014 63.259 62.300 -0.092 0.000 1.036 67 V CB -0.421 31.318 31.823 -0.139 0.000 0.654 67 V HN 0.130 nan 8.190 nan 0.000 0.451 68 L N 0.658 121.746 121.223 -0.225 0.000 2.046 68 L HA -0.173 4.170 4.340 0.006 0.000 0.208 68 L C 2.443 179.239 176.870 -0.122 0.000 1.077 68 L CA 2.386 57.089 54.840 -0.228 0.000 0.747 68 L CB -0.771 41.078 42.059 -0.350 0.000 0.896 68 L HN 0.299 nan 8.230 nan 0.000 0.432 69 K N -0.354 119.992 120.400 -0.090 0.000 2.063 69 K HA -0.232 4.091 4.320 0.006 0.000 0.208 69 K C 1.931 178.509 176.600 -0.036 0.000 1.048 69 K CA 2.041 58.297 56.287 -0.052 0.000 0.928 69 K CB -0.192 32.287 32.500 -0.034 0.000 0.713 69 K HN 0.527 nan 8.250 nan 0.000 0.442 70 E N 0.084 120.268 120.200 -0.027 0.000 2.077 70 E HA -0.198 4.155 4.350 0.006 0.000 0.193 70 E C 2.107 178.701 176.600 -0.009 0.000 0.989 70 E CA 1.645 58.041 56.400 -0.007 0.000 0.800 70 E CB -0.096 29.613 29.700 0.014 0.000 0.746 70 E HN 0.396 nan 8.360 nan 0.000 0.452 71 M N 0.546 120.136 119.600 -0.016 0.000 2.132 71 M HA -0.156 4.328 4.480 0.006 0.000 0.263 71 M C 2.097 178.366 176.300 -0.051 0.000 1.065 71 M CA 1.435 56.718 55.300 -0.029 0.000 1.122 71 M CB -0.099 32.484 32.600 -0.028 0.000 1.365 71 M HN -0.055 nan 8.290 nan 0.000 0.411 72 K N 0.395 120.763 120.400 -0.053 0.000 2.057 72 K HA -0.091 4.232 4.320 0.006 0.000 0.207 72 K C 2.128 178.708 176.600 -0.033 0.000 1.049 72 K CA 1.386 57.645 56.287 -0.047 0.000 0.931 72 K CB -0.358 32.114 32.500 -0.046 0.000 0.714 72 K HN 0.289 nan 8.250 nan 0.000 0.440 73 A N 2.449 125.253 122.820 -0.027 0.000 1.873 73 A HA -0.250 4.073 4.320 0.006 0.000 0.218 73 A C 1.962 179.532 177.584 -0.022 0.000 1.193 73 A CA 1.771 53.796 52.037 -0.020 0.000 0.629 73 A CB -0.345 18.647 19.000 -0.014 0.000 0.826 73 A HN 0.144 nan 8.150 nan 0.000 0.447 74 K N -0.380 120.002 120.400 -0.029 0.000 2.026 74 K HA -0.086 4.237 4.320 0.006 0.000 0.208 74 K C 2.322 178.895 176.600 -0.044 0.000 1.048 74 K CA 1.283 57.547 56.287 -0.038 0.000 0.929 74 K CB -0.753 31.716 32.500 -0.052 0.000 0.713 74 K HN 0.464 nan 8.250 nan 0.000 0.439 75 A N 1.716 124.507 122.820 -0.047 0.000 1.940 75 A HA -0.154 4.170 4.320 0.006 0.000 0.219 75 A C 2.247 179.819 177.584 -0.021 0.000 1.176 75 A CA 1.992 54.007 52.037 -0.038 0.000 0.631 75 A CB -0.609 18.371 19.000 -0.034 0.000 0.814 75 A HN 0.276 nan 8.150 nan 0.000 0.446 76 S N -0.258 115.431 115.700 -0.018 0.000 2.500 76 S HA -0.103 4.371 4.470 0.006 0.000 0.239 76 S C 1.797 176.391 174.600 -0.009 0.000 0.989 76 S CA 1.531 59.725 58.200 -0.009 0.000 0.951 76 S CB -0.584 62.611 63.200 -0.009 0.000 0.759 76 S HN 0.913 nan 8.310 nan 0.000 0.523 77 T N -1.030 113.515 114.554 -0.015 0.000 3.081 77 T HA 0.205 4.558 4.350 0.006 0.000 0.250 77 T C 0.485 175.176 174.700 -0.016 0.000 1.100 77 T CA -0.167 61.925 62.100 -0.015 0.000 1.038 77 T CB -0.294 68.563 68.868 -0.018 0.000 0.962 77 T HN 0.052 nan 8.240 nan 0.000 0.516 78 V N 2.026 121.930 119.914 -0.017 0.000 2.530 78 V HA 0.375 4.499 4.120 0.006 0.000 0.282 78 V C 0.147 176.237 176.094 -0.006 0.000 1.048 78 V CA -0.729 61.561 62.300 -0.018 0.000 0.997 78 V CB 1.039 32.846 31.823 -0.026 0.000 0.987 78 V HN 0.387 nan 8.190 nan 0.000 0.477 79 K N 3.591 123.988 120.400 -0.005 0.000 2.274 79 K HA 0.765 5.089 4.320 0.006 0.000 0.262 79 K C -0.652 175.950 176.600 0.004 0.000 0.961 79 K CA -0.408 55.882 56.287 0.004 0.000 0.833 79 K CB 1.518 34.021 32.500 0.005 0.000 1.102 79 K HN 0.840 nan 8.250 nan 0.000 0.436 80 A N 3.950 126.777 122.820 0.012 0.000 2.386 80 A HA 0.512 4.836 4.320 0.006 0.000 0.311 80 A C -1.344 176.257 177.584 0.029 0.000 1.068 80 A CA -0.936 51.111 52.037 0.015 0.000 0.743 80 A CB 0.978 19.984 19.000 0.010 0.000 1.258 80 A HN 0.836 nan 8.150 nan 0.000 0.429 81 K N 1.442 121.862 120.400 0.034 0.000 2.156 81 K HA 0.741 5.065 4.320 0.006 0.000 0.250 81 K C -1.032 175.595 176.600 0.045 0.000 0.955 81 K CA -0.774 55.535 56.287 0.036 0.000 0.855 81 K CB 1.350 33.867 32.500 0.028 0.000 1.101 81 K HN 0.372 nan 8.250 nan 0.000 0.434 82 L N 2.791 124.036 121.223 0.035 0.000 2.367 82 L HA 0.202 4.546 4.340 0.006 0.000 0.275 82 L C -0.818 176.034 176.870 -0.030 0.000 1.129 82 L CA -0.412 54.438 54.840 0.016 0.000 0.839 82 L CB 0.452 42.521 42.059 0.017 0.000 1.133 82 L HN 0.620 nan 8.230 nan 0.000 0.453 83 L N 3.518 124.707 121.223 -0.056 0.000 2.395 83 L HA 0.332 4.675 4.340 0.006 0.000 0.269 83 L C 0.666 177.426 176.870 -0.183 0.000 1.133 83 L CA 0.282 55.063 54.840 -0.097 0.000 0.812 83 L CB 1.016 43.013 42.059 -0.104 0.000 1.125 83 L HN 0.851 nan 8.230 nan 0.000 0.452 84 S N 1.342 116.947 115.700 -0.159 0.000 2.584 84 S HA 0.176 4.650 4.470 0.006 0.000 0.270 84 S C 1.452 175.906 174.600 -0.243 0.000 1.346 84 S CA -0.628 57.457 58.200 -0.191 0.000 1.018 84 S CB 0.670 63.795 63.200 -0.124 0.000 0.899 84 S HN 0.346 nan 8.310 nan 0.000 0.542 85 V N 2.412 122.150 119.914 -0.294 0.000 2.250 85 V HA -0.280 3.844 4.120 0.006 0.000 0.253 85 V C 2.972 178.937 176.094 -0.214 0.000 1.065 85 V CA 2.452 64.565 62.300 -0.312 0.000 1.039 85 V CB -1.333 30.229 31.823 -0.436 0.000 0.647 85 V HN 1.029 nan 8.190 nan 0.000 0.446 86 E N 0.641 120.746 120.200 -0.159 0.000 2.058 86 E HA -0.305 4.049 4.350 0.006 0.000 0.194 86 E C 1.965 178.489 176.600 -0.127 0.000 0.997 86 E CA 1.876 58.202 56.400 -0.123 0.000 0.801 86 E CB -0.630 29.018 29.700 -0.087 0.000 0.746 86 E HN 0.740 nan 8.360 nan 0.000 0.450 87 E N 1.179 121.300 120.200 -0.131 0.000 2.097 87 E HA -0.159 4.195 4.350 0.006 0.000 0.196 87 E C 2.123 178.610 176.600 -0.189 0.000 1.000 87 E CA 1.609 57.923 56.400 -0.144 0.000 0.804 87 E CB -0.192 29.429 29.700 -0.131 0.000 0.740 87 E HN 0.444 nan 8.360 nan 0.000 0.454 88 A N 0.389 123.091 122.820 -0.198 0.000 1.929 88 A HA -0.157 4.167 4.320 0.006 0.000 0.216 88 A C 2.385 179.861 177.584 -0.180 0.000 1.176 88 A CA 0.986 52.896 52.037 -0.210 0.000 0.628 88 A CB -0.738 18.148 19.000 -0.189 0.000 0.816 88 A HN 0.376 nan 8.150 nan 0.000 0.444 89 C N -0.112 119.094 119.300 -0.157 0.000 2.401 89 C HA -0.094 4.370 4.460 0.006 0.000 0.276 89 C C 2.565 177.480 174.990 -0.126 0.000 1.233 89 C CA 1.321 60.261 59.018 -0.129 0.000 1.753 89 C CB -0.746 26.920 27.740 -0.124 0.000 2.029 89 C HN 0.464 nan 8.230 nan 0.000 0.478 90 K N 0.665 120.990 120.400 -0.126 0.000 2.365 90 K HA 0.121 4.445 4.320 0.006 0.000 0.199 90 K C 1.490 178.038 176.600 -0.087 0.000 1.045 90 K CA 0.731 56.960 56.287 -0.097 0.000 0.962 90 K CB -0.411 32.040 32.500 -0.081 0.000 0.759 90 K HN 0.547 nan 8.250 nan 0.000 0.469 91 L N 1.050 122.178 121.223 -0.158 0.000 2.599 91 L HA 0.003 4.347 4.340 0.006 0.000 0.230 91 L C 0.248 177.027 176.870 -0.151 0.000 1.141 91 L CA 0.257 54.978 54.840 -0.198 0.000 0.877 91 L CB -0.201 41.625 42.059 -0.389 0.000 1.009 91 L HN -0.100 nan 8.230 nan 0.000 0.447 92 T N 1.641 116.113 114.554 -0.137 0.000 2.771 92 T HA 0.260 4.614 4.350 0.006 0.000 0.291 92 T C -2.329 172.227 174.700 -0.240 0.000 0.954 92 T CA -1.270 60.740 62.100 -0.149 0.000 1.045 92 T CB 1.215 70.011 68.868 -0.121 0.000 0.917 92 T HN -0.132 nan 8.240 nan 0.000 0.484 93 P HA 0.159 nan 4.420 nan 0.000 0.268 93 P C -1.932 175.075 177.300 -0.488 0.000 1.205 93 P CA -1.504 61.336 63.100 -0.434 0.000 0.771 93 P CB 0.128 31.726 31.700 -0.170 0.000 0.858 94 P HA -0.170 nan 4.420 nan 0.000 0.217 94 P C 0.413 177.359 177.300 -0.589 0.000 1.148 94 P CA 1.786 64.498 63.100 -0.646 0.000 0.828 94 P CB -0.300 30.929 31.700 -0.786 0.000 0.783 95 H N -2.437 116.524 119.070 -0.182 0.000 2.505 95 H HA 0.278 4.837 4.556 0.006 0.000 0.289 95 H C 0.521 175.781 175.328 -0.112 0.000 1.052 95 H CA -0.384 55.594 56.048 -0.118 0.000 1.156 95 H CB -0.079 29.630 29.762 -0.088 0.000 1.507 95 H HN -0.018 nan 8.280 nan 0.000 0.548 96 S N 1.460 117.117 115.700 -0.073 0.000 2.558 96 S HA 0.263 4.737 4.470 0.006 0.000 0.288 96 S C 0.742 175.306 174.600 -0.061 0.000 1.318 96 S CA -0.527 57.623 58.200 -0.083 0.000 1.056 96 S CB 0.110 63.256 63.200 -0.092 0.000 0.853 96 S HN 0.540 nan 8.310 nan 0.000 0.505 97 A N 5.112 127.878 122.820 -0.091 0.000 2.580 97 A HA 0.159 4.483 4.320 0.006 0.000 0.244 97 A C 0.629 178.207 177.584 -0.011 0.000 1.045 97 A CA 0.071 52.081 52.037 -0.046 0.000 0.761 97 A CB -0.300 18.663 19.000 -0.062 0.000 0.962 97 A HN 0.872 nan 8.150 nan 0.000 0.512 98 K N 2.522 122.910 120.400 -0.020 0.000 2.397 98 K HA 0.246 4.570 4.320 0.006 0.000 0.265 98 K C 0.396 176.927 176.600 -0.116 0.000 0.982 98 K CA 0.229 56.476 56.287 -0.066 0.000 0.931 98 K CB 0.329 32.790 32.500 -0.065 0.000 0.943 98 K HN 0.458 nan 8.250 nan 0.000 0.501 99 S N 0.528 116.051 115.700 -0.295 0.000 2.585 99 S HA 0.181 4.655 4.470 0.006 0.000 0.273 99 S C 1.417 175.822 174.600 -0.324 0.000 1.339 99 S CA 0.162 58.143 58.200 -0.365 0.000 1.028 99 S CB 0.813 63.452 63.200 -0.936 0.000 0.906 99 S HN 0.721 nan 8.310 nan 0.000 0.528 100 K N 2.963 123.148 120.400 -0.358 0.000 2.442 100 K HA 0.072 4.396 4.320 0.006 0.000 0.198 100 K C 0.750 176.941 176.600 -0.681 0.000 1.042 100 K CA 1.411 57.374 56.287 -0.539 0.000 0.958 100 K CB -0.819 31.246 32.500 -0.726 0.000 0.766 100 K HN 0.767 nan 8.250 nan 0.000 0.474 101 F N 0.217 119.997 119.950 -0.282 0.000 2.730 101 F HA 0.406 4.942 4.527 0.014 0.000 0.295 101 F C 1.487 177.183 175.800 -0.174 0.000 1.143 101 F CA -0.135 57.697 58.000 -0.281 0.000 1.367 101 F CB 0.208 38.885 39.000 -0.537 0.000 0.970 101 F HN 0.262 nan 8.300 nan 0.000 0.514 102 G N 0.409 109.156 108.800 -0.088 0.000 2.142 102 G HA2 -0.267 3.697 3.960 0.006 0.000 0.225 102 G HA3 -0.267 3.697 3.960 0.006 0.000 0.225 102 G C -0.371 174.616 174.900 0.145 0.000 1.015 102 G CA 0.089 45.206 45.100 0.028 0.000 0.716 102 G HN 0.574 nan 8.290 nan 0.000 0.508 103 Y N -2.946 117.368 120.300 0.022 0.000 2.725 103 Y HA 0.786 5.342 4.550 0.010 0.000 0.333 103 Y C 0.326 176.242 175.900 0.027 0.000 1.242 103 Y CA -1.027 57.088 58.100 0.025 0.000 1.059 103 Y CB 0.544 39.027 38.460 0.039 0.000 1.306 103 Y HN 0.799 nan 8.280 nan 0.000 0.454 104 G N -0.546 108.381 108.800 0.213 0.000 3.015 104 G HA2 0.549 4.513 3.960 0.006 0.000 0.281 104 G HA3 0.549 4.513 3.960 0.006 0.000 0.281 104 G C -0.025 174.948 174.900 0.122 0.000 1.386 104 G CA -0.746 44.406 45.100 0.087 0.000 0.959 104 G HN 1.207 nan 8.290 nan 0.000 0.522 105 A N -0.377 122.458 122.820 0.026 0.000 1.969 105 A HA 0.043 4.367 4.320 0.006 0.000 0.218 105 A C 2.158 179.705 177.584 -0.062 0.000 1.169 105 A CA 1.556 53.579 52.037 -0.023 0.000 0.635 105 A CB -0.258 18.684 19.000 -0.096 0.000 0.810 105 A HN 0.426 nan 8.150 nan 0.000 0.445 106 K N 0.209 120.569 120.400 -0.067 0.000 2.217 106 K HA -0.079 4.245 4.320 0.006 0.000 0.202 106 K C 1.099 177.675 176.600 -0.041 0.000 1.051 106 K CA 1.143 57.380 56.287 -0.084 0.000 0.952 106 K CB -0.358 32.094 32.500 -0.081 0.000 0.736 106 K HN 0.475 nan 8.250 nan 0.000 0.453 107 D N 1.122 121.529 120.400 0.011 0.000 2.117 107 D HA -0.115 4.529 4.640 0.006 0.000 0.197 107 D C 2.121 178.406 176.300 -0.025 0.000 0.987 107 D CA 0.796 54.805 54.000 0.015 0.000 0.829 107 D CB -0.326 40.524 40.800 0.084 0.000 0.961 107 D HN -0.108 nan 8.370 nan 0.000 0.460 108 V N 1.381 121.300 119.914 0.007 0.000 2.295 108 V HA -0.232 3.892 4.120 0.006 0.000 0.246 108 V C 2.504 178.554 176.094 -0.074 0.000 1.049 108 V CA 1.627 63.904 62.300 -0.037 0.000 1.024 108 V CB -0.365 31.475 31.823 0.028 0.000 0.648 108 V HN 0.146 nan 8.190 nan 0.000 0.447 109 R N 0.270 120.719 120.500 -0.084 0.000 2.115 109 R HA -0.085 4.259 4.340 0.006 0.000 0.230 109 R C 1.765 178.014 176.300 -0.085 0.000 1.111 109 R CA 1.216 57.252 56.100 -0.106 0.000 0.976 109 R CB -0.393 29.818 30.300 -0.149 0.000 0.870 109 R HN 0.506 nan 8.270 nan 0.000 0.445 110 N N 1.135 119.791 118.700 -0.073 0.000 2.521 110 N HA 0.018 4.761 4.740 0.006 0.000 0.188 110 N C 0.258 175.732 175.510 -0.060 0.000 1.146 110 N CA 0.349 53.363 53.050 -0.060 0.000 0.893 110 N CB 0.105 38.564 38.487 -0.048 0.000 0.975 110 N HN 0.163 nan 8.380 nan 0.000 0.451 111 L N 0.419 121.597 121.223 -0.074 0.000 3.737 111 L HA -0.232 4.112 4.340 0.006 0.000 0.418 111 L C 0.326 177.152 176.870 -0.074 0.000 1.216 111 L CA 0.023 54.815 54.840 -0.080 0.000 0.915 111 L CB -2.696 39.322 42.059 -0.067 0.000 1.834 111 L HN 0.118 nan 8.230 nan 0.000 0.943 112 S N -0.437 115.216 115.700 -0.079 0.000 2.560 112 S HA 0.259 4.733 4.470 0.006 0.000 0.284 112 S C 1.514 176.062 174.600 -0.086 0.000 1.327 112 S CA -0.009 58.150 58.200 -0.068 0.000 1.055 112 S CB 1.645 64.812 63.200 -0.054 0.000 0.868 112 S HN 0.526 nan 8.310 nan 0.000 0.506 113 S N 3.426 119.092 115.700 -0.056 0.000 2.423 113 S HA -0.117 4.357 4.470 0.006 0.000 0.231 113 S C 1.664 176.229 174.600 -0.057 0.000 1.014 113 S CA 0.846 59.018 58.200 -0.046 0.000 0.965 113 S CB -0.462 62.724 63.200 -0.023 0.000 0.785 113 S HN 0.861 nan 8.310 nan 0.000 0.495 114 K N 1.877 122.237 120.400 -0.066 0.000 1.985 114 K HA -0.038 4.285 4.320 0.006 0.000 0.210 114 K C 2.411 178.872 176.600 -0.232 0.000 1.047 114 K CA 1.218 57.462 56.287 -0.071 0.000 0.932 114 K CB -0.774 31.717 32.500 -0.015 0.000 0.716 114 K HN 0.383 nan 8.250 nan 0.000 0.439 115 A N 0.915 123.467 122.820 -0.447 0.000 1.869 115 A HA -0.188 4.135 4.320 0.006 0.000 0.218 115 A C 2.319 179.608 177.584 -0.491 0.000 1.203 115 A CA 2.209 53.688 52.037 -0.930 0.000 0.638 115 A CB -1.025 17.579 19.000 -0.661 0.000 0.831 115 A HN 0.222 nan 8.150 nan 0.000 0.450 116 V N 0.839 120.596 119.914 -0.262 0.000 2.295 116 V HA -0.280 3.843 4.120 0.006 0.000 0.246 116 V C 2.324 178.390 176.094 -0.048 0.000 1.049 116 V CA 2.196 64.397 62.300 -0.165 0.000 1.024 116 V CB -1.121 30.651 31.823 -0.084 0.000 0.648 116 V HN 0.587 nan 8.190 nan 0.000 0.447 117 N N -0.278 118.430 118.700 0.013 0.000 2.091 117 N HA -0.237 4.506 4.740 0.006 0.000 0.193 117 N C 1.844 177.404 175.510 0.084 0.000 1.021 117 N CA 1.989 55.087 53.050 0.079 0.000 0.862 117 N CB -0.685 37.832 38.487 0.049 0.000 1.018 117 N HN 0.686 nan 8.380 nan 0.000 0.429 118 H N 0.171 119.197 119.070 -0.074 0.000 2.395 118 H HA 0.075 4.636 4.556 0.008 0.000 0.299 118 H C 2.039 177.356 175.328 -0.019 0.000 1.070 118 H CA 0.842 56.872 56.048 -0.030 0.000 1.356 118 H CB 0.075 29.875 29.762 0.063 0.000 1.401 118 H HN 0.131 nan 8.280 nan 0.000 0.524 119 I N 0.173 120.621 120.570 -0.202 0.000 2.252 119 I HA -0.266 3.907 4.170 0.006 0.000 0.245 119 I C 2.255 178.260 176.117 -0.185 0.000 1.102 119 I CA 1.274 62.427 61.300 -0.244 0.000 1.385 119 I CB -0.347 37.507 38.000 -0.242 0.000 1.064 119 I HN 0.319 nan 8.210 nan 0.000 0.414 120 H N 0.004 119.033 119.070 -0.068 0.000 2.390 120 H HA -0.182 4.378 4.556 0.006 0.000 0.298 120 H C 2.523 177.866 175.328 0.024 0.000 1.106 120 H CA 1.923 57.969 56.048 -0.003 0.000 1.297 120 H CB -0.053 29.698 29.762 -0.019 0.000 1.375 120 H HN 0.390 nan 8.280 nan 0.000 0.509 121 S N -0.122 115.614 115.700 0.061 0.000 2.406 121 S HA -0.109 4.365 4.470 0.006 0.000 0.228 121 S C 2.265 176.827 174.600 -0.064 0.000 1.020 121 S CA 1.007 59.212 58.200 0.009 0.000 0.965 121 S CB -0.617 62.589 63.200 0.011 0.000 0.798 121 S HN 0.161 nan 8.310 nan 0.000 0.488 122 V N 1.005 120.810 119.914 -0.182 0.000 2.343 122 V HA -0.145 3.979 4.120 0.006 0.000 0.247 122 V C 2.244 178.330 176.094 -0.013 0.000 1.051 122 V CA 1.871 64.078 62.300 -0.156 0.000 1.036 122 V CB -1.087 30.597 31.823 -0.232 0.000 0.654 122 V HN 0.707 nan 8.190 nan 0.000 0.451 123 W N 1.384 122.612 121.300 -0.120 0.000 2.333 123 W HA -0.251 4.412 4.660 0.005 0.000 0.316 123 W C 2.568 179.062 176.519 -0.042 0.000 1.215 123 W CA 2.376 59.679 57.345 -0.069 0.000 1.278 123 W CB -0.155 29.275 29.460 -0.050 0.000 1.154 123 W HN 0.237 nan 8.180 nan 0.000 0.486 124 K N 0.543 120.989 120.400 0.077 0.000 2.097 124 K HA -0.269 4.055 4.320 0.006 0.000 0.206 124 K C 1.725 178.266 176.600 -0.099 0.000 1.049 124 K CA 2.249 58.530 56.287 -0.010 0.000 0.933 124 K CB -0.581 31.952 32.500 0.055 0.000 0.717 124 K HN 0.018 nan 8.250 nan 0.000 0.442 125 D N 0.297 120.643 120.400 -0.090 0.000 2.144 125 D HA -0.137 4.507 4.640 0.006 0.000 0.199 125 D C 1.961 178.165 176.300 -0.159 0.000 0.984 125 D CA 0.920 54.858 54.000 -0.103 0.000 0.834 125 D CB 0.056 40.805 40.800 -0.085 0.000 0.955 125 D HN 0.214 nan 8.370 nan 0.000 0.465 126 L N -0.058 121.024 121.223 -0.235 0.000 2.079 126 L HA -0.150 4.194 4.340 0.006 0.000 0.210 126 L C 2.420 179.092 176.870 -0.331 0.000 1.081 126 L CA 0.707 55.361 54.840 -0.311 0.000 0.752 126 L CB -0.309 41.474 42.059 -0.461 0.000 0.896 126 L HN 0.234 nan 8.230 nan 0.000 0.433 127 L N -0.964 120.033 121.223 -0.377 0.000 2.156 127 L HA -0.158 4.185 4.340 0.006 0.000 0.208 127 L C 2.157 178.927 176.870 -0.167 0.000 1.095 127 L CA 1.149 55.814 54.840 -0.292 0.000 0.770 127 L CB -0.313 41.580 42.059 -0.275 0.000 0.914 127 L HN 0.295 nan 8.230 nan 0.000 0.439 128 E N -1.188 118.930 120.200 -0.137 0.000 2.340 128 E HA -0.040 4.313 4.350 0.006 0.000 0.194 128 E C 0.129 176.684 176.600 -0.076 0.000 0.996 128 E CA 0.072 56.420 56.400 -0.087 0.000 0.869 128 E CB 0.519 30.180 29.700 -0.065 0.000 0.835 128 E HN 0.170 nan 8.360 nan 0.000 0.493 129 D N 0.082 120.428 120.400 -0.090 0.000 2.696 129 D HA 0.048 4.692 4.640 0.006 0.000 0.251 129 D C -0.129 176.121 176.300 -0.082 0.000 1.188 129 D CA -0.290 53.667 54.000 -0.071 0.000 0.876 129 D CB 1.553 42.317 40.800 -0.061 0.000 1.334 129 D HN -0.048 nan 8.370 nan 0.000 0.540 130 T N 0.376 114.890 114.554 -0.066 0.000 3.174 130 T HA 0.209 4.562 4.350 0.006 0.000 0.269 130 T C 1.237 175.908 174.700 -0.047 0.000 1.017 130 T CA 0.370 62.431 62.100 -0.066 0.000 0.899 130 T CB -0.196 68.637 68.868 -0.058 0.000 1.077 130 T HN 0.210 nan 8.240 nan 0.000 0.552 131 V N -2.626 117.265 119.914 -0.039 0.000 3.250 131 V HA 0.365 4.489 4.120 0.006 0.000 0.240 131 V C 0.679 176.765 176.094 -0.015 0.000 1.275 131 V CA 0.001 62.288 62.300 -0.023 0.000 1.206 131 V CB -0.405 31.408 31.823 -0.017 0.000 0.976 131 V HN 0.299 nan 8.190 nan 0.000 0.467 132 T N 4.534 119.077 114.554 -0.018 0.000 2.779 132 T HA 0.390 4.744 4.350 0.006 0.000 0.296 132 T C -2.519 172.182 174.700 0.002 0.000 0.938 132 T CA -0.522 61.577 62.100 -0.003 0.000 1.119 132 T CB 0.780 69.646 68.868 -0.004 0.000 0.891 132 T HN 0.350 nan 8.240 nan 0.000 0.526 133 P HA 0.129 nan 4.420 nan 0.000 0.264 133 P C -0.260 177.046 177.300 0.009 0.000 1.183 133 P CA -0.049 63.070 63.100 0.032 0.000 0.763 133 P CB 0.325 32.093 31.700 0.112 0.000 0.807 134 I N 2.354 122.912 120.570 -0.021 0.000 2.396 134 I HA 0.142 4.316 4.170 0.006 0.000 0.292 134 I C 0.937 177.043 176.117 -0.018 0.000 0.999 134 I CA -0.413 60.878 61.300 -0.015 0.000 1.310 134 I CB 0.746 38.725 38.000 -0.035 0.000 1.404 134 I HN 0.311 nan 8.210 nan 0.000 0.496 135 D N 4.301 124.706 120.400 0.009 0.000 2.399 135 D HA 0.224 4.868 4.640 0.006 0.000 0.241 135 D C -0.345 175.924 176.300 -0.052 0.000 1.133 135 D CA 0.203 54.194 54.000 -0.016 0.000 0.890 135 D CB 0.852 41.656 40.800 0.007 0.000 1.201 135 D HN 0.610 nan 8.370 nan 0.000 0.432 136 T N -0.773 113.719 114.554 -0.104 0.000 2.906 136 T HA 0.612 4.966 4.350 0.006 0.000 0.295 136 T C -0.325 174.214 174.700 -0.269 0.000 1.075 136 T CA -0.956 61.037 62.100 -0.179 0.000 1.005 136 T CB 1.492 70.276 68.868 -0.140 0.000 1.136 136 T HN 0.218 nan 8.240 nan 0.000 0.498 137 T N 2.044 116.274 114.554 -0.540 0.000 2.867 137 T HA 0.595 4.949 4.350 0.006 0.000 0.282 137 T C -0.411 174.014 174.700 -0.458 0.000 1.000 137 T CA -0.625 61.144 62.100 -0.552 0.000 1.042 137 T CB 0.751 69.106 68.868 -0.854 0.000 0.973 137 T HN 0.720 nan 8.240 nan 0.000 0.465 138 I N 4.019 124.493 120.570 -0.160 0.000 2.378 138 I HA 0.516 4.690 4.170 0.006 0.000 0.291 138 I C -1.007 175.146 176.117 0.061 0.000 0.992 138 I CA -0.813 60.485 61.300 -0.003 0.000 1.154 138 I CB 0.714 38.763 38.000 0.081 0.000 1.315 138 I HN 0.414 nan 8.210 nan 0.000 0.448 139 M N 6.069 125.758 119.600 0.149 0.000 2.658 139 M HA 0.523 5.007 4.480 0.006 0.000 0.295 139 M C -0.499 175.871 176.300 0.115 0.000 1.248 139 M CA -0.666 54.720 55.300 0.143 0.000 0.843 139 M CB 1.794 34.526 32.600 0.220 0.000 1.749 139 M HN 0.584 nan 8.290 nan 0.000 0.464 140 A N 1.893 124.761 122.820 0.079 0.000 2.320 140 A HA 0.457 4.780 4.320 0.006 0.000 0.287 140 A C 0.031 177.655 177.584 0.067 0.000 1.181 140 A CA -0.468 51.609 52.037 0.066 0.000 0.831 140 A CB 0.219 19.245 19.000 0.043 0.000 1.102 140 A HN 0.707 nan 8.150 nan 0.000 0.513 141 K N 1.932 122.374 120.400 0.069 0.000 2.295 141 K HA 0.105 4.429 4.320 0.006 0.000 0.270 141 K C -0.643 175.968 176.600 0.018 0.000 1.011 141 K CA 0.038 56.350 56.287 0.042 0.000 0.953 141 K CB 0.606 33.136 32.500 0.050 0.000 0.956 141 K HN 0.757 nan 8.250 nan 0.000 0.477 142 N N 2.511 121.190 118.700 -0.036 0.000 2.609 142 N HA 0.101 4.845 4.740 0.006 0.000 0.234 142 N C -1.232 174.150 175.510 -0.213 0.000 1.001 142 N CA -0.306 52.685 53.050 -0.098 0.000 0.926 142 N CB 0.976 39.405 38.487 -0.097 0.000 1.130 142 N HN 0.380 nan 8.380 nan 0.000 0.510 143 E N 0.728 120.783 120.200 -0.241 0.000 2.277 143 E HA 0.460 4.814 4.350 0.006 0.000 0.266 143 E C -0.788 175.358 176.600 -0.757 0.000 0.901 143 E CA -1.049 55.066 56.400 -0.476 0.000 0.782 143 E CB 2.468 31.908 29.700 -0.434 0.000 1.228 143 E HN 0.049 nan 8.360 nan 0.000 0.424 144 V N 2.836 122.172 119.914 -0.963 0.000 2.439 144 V HA 0.435 4.558 4.120 0.006 0.000 0.282 144 V C -0.757 174.688 176.094 -1.081 0.000 1.039 144 V CA -0.251 61.506 62.300 -0.904 0.000 0.913 144 V CB -0.064 31.356 31.823 -0.673 0.000 0.983 144 V HN 0.509 nan 8.190 nan 0.000 0.460 145 F N 2.341 121.952 119.950 -0.565 0.000 2.675 145 F HA 0.634 5.164 4.527 0.005 0.000 0.324 145 F C 0.150 175.817 175.800 -0.223 0.000 1.106 145 F CA -0.792 56.972 58.000 -0.394 0.000 0.970 145 F CB 1.272 40.028 39.000 -0.406 0.000 1.385 145 F HN 0.526 nan 8.300 nan 0.000 0.489 146 C N 2.591 122.024 119.300 0.222 0.000 2.358 146 C HA 0.780 5.244 4.460 0.006 0.000 0.342 146 C C 0.142 175.361 174.990 0.383 0.000 1.234 146 C CA -0.747 58.430 59.018 0.265 0.000 1.969 146 C CB -0.010 27.828 27.740 0.163 0.000 2.346 146 C HN 0.739 nan 8.230 nan 0.000 0.525 147 V N 3.728 123.875 119.914 0.389 0.000 2.901 147 V HA 0.550 4.673 4.120 0.006 0.000 0.307 147 V C 0.006 176.185 176.094 0.141 0.000 1.084 147 V CA 0.978 63.424 62.300 0.243 0.000 1.184 147 V CB -0.474 31.408 31.823 0.098 0.000 0.941 147 V HN 1.398 nan 8.190 nan 0.000 0.493 154 R N 1.043 121.431 120.500 -0.187 0.000 2.538 154 R HA 0.423 4.767 4.340 0.006 0.000 0.292 154 R C -0.945 175.308 176.300 -0.079 0.000 1.008 154 R CA -0.789 55.154 56.100 -0.261 0.000 0.896 154 R CB 2.451 32.440 30.300 -0.519 0.000 1.187 154 R HN 0.155 nan 8.270 nan 0.000 0.440 155 K N 3.800 124.200 120.400 -0.001 0.000 2.511 155 K HA 0.046 4.369 4.320 0.006 0.000 0.280 155 K C -1.876 174.745 176.600 0.036 0.000 1.008 155 K CA -0.765 55.490 56.287 -0.053 0.000 1.050 155 K CB 0.167 32.491 32.500 -0.292 0.000 0.889 155 K HN 0.304 nan 8.250 nan 0.000 0.484 156 P HA 0.054 nan 4.420 nan 0.000 0.276 156 P C -0.830 176.512 177.300 0.069 0.000 1.252 156 P CA -0.509 62.617 63.100 0.042 0.000 0.802 156 P CB 0.720 32.428 31.700 0.013 0.000 1.035 157 A N 2.903 125.775 122.820 0.087 0.000 2.561 157 A HA 0.052 4.376 4.320 0.006 0.000 0.234 157 A C 0.701 178.337 177.584 0.086 0.000 1.055 157 A CA 0.101 52.199 52.037 0.102 0.000 0.756 157 A CB -0.365 18.682 19.000 0.078 0.000 0.986 157 A HN 0.452 nan 8.150 nan 0.000 0.505 158 R N 0.779 121.346 120.500 0.112 0.000 2.560 158 R HA 0.478 4.822 4.340 0.006 0.000 0.270 158 R C -0.735 175.627 176.300 0.103 0.000 1.074 158 R CA -0.442 55.725 56.100 0.112 0.000 1.140 158 R CB 0.586 30.969 30.300 0.138 0.000 1.073 158 R HN 0.661 nan 8.270 nan 0.000 0.527 159 L N 2.800 124.090 121.223 0.112 0.000 2.307 159 L HA 0.457 4.801 4.340 0.006 0.000 0.284 159 L C -0.380 176.585 176.870 0.159 0.000 1.023 159 L CA -0.932 53.978 54.840 0.117 0.000 0.810 159 L CB 1.516 43.632 42.059 0.095 0.000 1.231 159 L HN 0.441 nan 8.230 nan 0.000 0.423 160 I N 3.508 124.189 120.570 0.184 0.000 2.404 160 I HA 0.483 4.656 4.170 0.006 0.000 0.293 160 I C -0.793 175.513 176.117 0.316 0.000 0.992 160 I CA -0.330 61.118 61.300 0.245 0.000 1.149 160 I CB 1.861 39.998 38.000 0.228 0.000 1.315 160 I HN 0.186 nan 8.210 nan 0.000 0.446 161 V N 8.781 128.883 119.914 0.314 0.000 2.483 161 V HA 0.604 4.728 4.120 0.006 0.000 0.297 161 V C -0.911 175.354 176.094 0.285 0.000 1.027 161 V CA -0.490 61.936 62.300 0.209 0.000 0.855 161 V CB 1.182 33.102 31.823 0.162 0.000 0.995 161 V HN 0.604 nan 8.190 nan 0.000 0.424 162 F N 5.043 125.038 119.950 0.074 0.000 2.641 162 F HA 0.929 5.457 4.527 0.001 0.000 0.308 162 F C -3.135 172.703 175.800 0.064 0.000 1.105 162 F CA -2.291 55.754 58.000 0.074 0.000 0.964 162 F CB 1.741 40.779 39.000 0.065 0.000 1.294 162 F HN 0.322 nan 8.300 nan 0.000 0.442 163 P HA 0.220 nan 4.420 nan 0.000 0.297 163 P C -1.161 176.254 177.300 0.192 0.000 1.307 163 P CA -0.164 62.991 63.100 0.091 0.000 0.773 163 P CB 1.269 33.031 31.700 0.104 0.000 1.265 164 D N -1.164 119.332 120.400 0.160 0.000 2.382 164 D HA -0.019 4.625 4.640 0.006 0.000 0.240 164 D C 1.437 177.870 176.300 0.223 0.000 1.146 164 D CA -0.375 53.749 54.000 0.206 0.000 0.897 164 D CB 0.264 41.228 40.800 0.274 0.000 1.197 164 D HN 0.102 nan 8.370 nan 0.000 0.432 165 L N 3.620 124.956 121.223 0.189 0.000 2.054 165 L HA -0.149 4.194 4.340 0.006 0.000 0.220 165 L C 2.065 179.075 176.870 0.232 0.000 1.081 165 L CA 2.799 57.741 54.840 0.170 0.000 0.780 165 L CB -1.191 40.923 42.059 0.092 0.000 0.893 165 L HN 0.702 nan 8.230 nan 0.000 0.438 166 G N -1.536 107.463 108.800 0.331 0.000 2.440 166 G HA2 -0.217 3.747 3.960 0.006 0.000 0.218 166 G HA3 -0.217 3.747 3.960 0.006 0.000 0.218 166 G C 1.542 176.510 174.900 0.114 0.000 1.154 166 G CA 1.129 46.388 45.100 0.265 0.000 0.767 166 G HN 0.389 nan 8.290 nan 0.000 0.552 167 V N 0.640 120.633 119.914 0.131 0.000 2.343 167 V HA -0.160 3.964 4.120 0.006 0.000 0.247 167 V C 2.920 179.085 176.094 0.119 0.000 1.051 167 V CA 1.908 64.269 62.300 0.102 0.000 1.036 167 V CB -0.445 31.435 31.823 0.096 0.000 0.654 167 V HN 0.322 nan 8.190 nan 0.000 0.451 168 R N -0.377 120.203 120.500 0.134 0.000 2.092 168 R HA -0.094 4.249 4.340 0.006 0.000 0.231 168 R C 2.218 178.572 176.300 0.089 0.000 1.119 168 R CA 1.289 57.464 56.100 0.124 0.000 0.970 168 R CB -0.496 29.875 30.300 0.118 0.000 0.864 168 R HN 0.431 nan 8.270 nan 0.000 0.440 169 V N 0.337 120.295 119.914 0.073 0.000 2.427 169 V HA -0.284 3.840 4.120 0.006 0.000 0.248 169 V C 2.486 178.596 176.094 0.027 0.000 1.051 169 V CA 1.468 63.779 62.300 0.018 0.000 1.048 169 V CB -0.463 31.354 31.823 -0.009 0.000 0.666 169 V HN 0.428 nan 8.190 nan 0.000 0.456 170 C N 0.100 119.461 119.300 0.102 0.000 2.429 170 C HA -0.159 4.305 4.460 0.006 0.000 0.277 170 C C 2.680 177.838 174.990 0.280 0.000 1.262 170 C CA 1.049 60.220 59.018 0.255 0.000 1.733 170 C CB -1.021 26.915 27.740 0.328 0.000 2.010 170 C HN 0.632 nan 8.230 nan 0.000 0.483 171 E N 0.865 121.182 120.200 0.195 0.000 2.085 171 E HA -0.249 4.104 4.350 0.006 0.000 0.194 171 E C 2.117 178.828 176.600 0.184 0.000 0.994 171 E CA 1.307 57.832 56.400 0.209 0.000 0.801 171 E CB -0.189 29.644 29.700 0.221 0.000 0.743 171 E HN 0.645 nan 8.360 nan 0.000 0.453 172 K N 0.432 120.906 120.400 0.124 0.000 2.026 172 K HA -0.122 4.202 4.320 0.006 0.000 0.208 172 K C 2.207 178.853 176.600 0.076 0.000 1.048 172 K CA 1.546 57.892 56.287 0.097 0.000 0.929 172 K CB -0.150 32.331 32.500 -0.031 0.000 0.713 172 K HN 0.082 nan 8.250 nan 0.000 0.439 173 M N 0.421 120.018 119.600 -0.004 0.000 2.082 173 M HA -0.216 4.268 4.480 0.006 0.000 0.258 173 M C 2.410 178.737 176.300 0.045 0.000 1.069 173 M CA 1.951 57.184 55.300 -0.112 0.000 1.102 173 M CB -0.381 31.922 32.600 -0.496 0.000 1.336 173 M HN 0.245 nan 8.290 nan 0.000 0.404 174 A N -0.602 122.367 122.820 0.249 0.000 1.930 174 A HA 0.064 4.388 4.320 0.006 0.000 0.215 174 A C 1.904 179.586 177.584 0.162 0.000 1.176 174 A CA 1.170 53.402 52.037 0.324 0.000 0.632 174 A CB -0.255 18.982 19.000 0.395 0.000 0.819 174 A HN 0.487 nan 8.150 nan 0.000 0.445 175 L N -2.942 118.361 121.223 0.134 0.000 2.920 175 L HA 0.196 4.540 4.340 0.006 0.000 0.257 175 L C 1.848 178.750 176.870 0.053 0.000 1.150 175 L CA 0.010 54.869 54.840 0.032 0.000 0.959 175 L CB 0.088 42.134 42.059 -0.021 0.000 1.321 175 L HN 0.465 nan 8.230 nan 0.000 0.555 176 Y N 1.353 121.661 120.300 0.013 0.000 2.145 176 Y HA -0.320 4.234 4.550 0.006 0.000 0.286 176 Y C 2.246 178.173 175.900 0.045 0.000 1.145 176 Y CA 2.206 60.328 58.100 0.037 0.000 1.148 176 Y CB 0.069 38.539 38.460 0.018 0.000 0.981 176 Y HN 0.203 nan 8.280 nan 0.000 0.507 177 D N -0.563 119.878 120.400 0.069 0.000 2.104 177 D HA -0.185 4.459 4.640 0.006 0.000 0.194 177 D C 2.312 178.548 176.300 -0.107 0.000 0.994 177 D CA 1.592 55.572 54.000 -0.034 0.000 0.830 177 D CB -0.341 40.491 40.800 0.053 0.000 0.959 177 D HN 0.267 nan 8.370 nan 0.000 0.452 178 V N 0.462 120.325 119.914 -0.086 0.000 2.255 178 V HA -0.246 3.878 4.120 0.006 0.000 0.247 178 V C 2.667 178.651 176.094 -0.182 0.000 1.051 178 V CA 1.974 64.200 62.300 -0.124 0.000 1.018 178 V CB -0.626 31.097 31.823 -0.167 0.000 0.641 178 V HN 0.339 nan 8.190 nan 0.000 0.445 179 V N -3.012 116.771 119.914 -0.217 0.000 3.041 179 V HA -0.043 4.081 4.120 0.006 0.000 0.260 179 V C 2.068 178.004 176.094 -0.263 0.000 1.105 179 V CA 1.864 64.025 62.300 -0.233 0.000 1.125 179 V CB -0.186 31.517 31.823 -0.200 0.000 0.730 179 V HN 0.445 nan 8.190 nan 0.000 0.479 180 S N 1.340 116.877 115.700 -0.272 0.000 2.436 180 S HA -0.059 4.415 4.470 0.006 0.000 0.228 180 S C 1.902 176.402 174.600 -0.167 0.000 1.014 180 S CA 1.680 59.737 58.200 -0.239 0.000 0.950 180 S CB -0.111 62.882 63.200 -0.345 0.000 0.784 180 S HN 0.951 nan 8.310 nan 0.000 0.504 181 T N -1.135 113.318 114.554 -0.169 0.000 2.989 181 T HA 0.309 4.663 4.350 0.006 0.000 0.250 181 T C 1.607 176.205 174.700 -0.169 0.000 0.981 181 T CA -0.187 61.834 62.100 -0.132 0.000 0.980 181 T CB -0.442 68.374 68.868 -0.086 0.000 1.133 181 T HN 0.207 nan 8.240 nan 0.000 0.489 182 L N 1.847 122.961 121.223 -0.182 0.000 2.072 182 L HA 0.180 4.524 4.340 0.006 0.000 0.205 182 L C -0.925 175.772 176.870 -0.287 0.000 1.079 182 L CA 1.064 55.801 54.840 -0.173 0.000 0.752 182 L CB -0.684 41.322 42.059 -0.088 0.000 0.906 182 L HN 0.103 nan 8.230 nan 0.000 0.436 183 P HA -0.256 nan 4.420 nan 0.000 0.216 183 P C 1.334 178.177 177.300 -0.761 0.000 1.157 183 P CA 1.429 64.049 63.100 -0.800 0.000 0.880 183 P CB -0.163 30.560 31.700 -1.629 0.000 0.791 184 Q N -0.066 119.355 119.800 -0.632 0.000 2.167 184 Q HA -0.092 4.252 4.340 0.006 0.000 0.202 184 Q C 1.959 177.837 176.000 -0.203 0.000 0.970 184 Q CA 1.393 57.027 55.803 -0.283 0.000 0.855 184 Q CB -0.710 27.966 28.738 -0.103 0.000 0.911 184 Q HN 0.077 nan 8.270 nan 0.000 0.438 185 V N 0.153 119.949 119.914 -0.197 0.000 2.358 185 V HA -0.193 3.931 4.120 0.006 0.000 0.246 185 V C 2.491 178.494 176.094 -0.152 0.000 1.047 185 V CA 1.366 63.584 62.300 -0.138 0.000 1.035 185 V CB -0.362 31.396 31.823 -0.109 0.000 0.658 185 V HN 0.129 nan 8.190 nan 0.000 0.452 186 V N -0.792 118.996 119.914 -0.211 0.000 2.453 186 V HA -0.140 3.983 4.120 0.006 0.000 0.247 186 V C 1.983 177.898 176.094 -0.298 0.000 1.048 186 V CA 1.985 64.152 62.300 -0.221 0.000 1.049 186 V CB -0.340 31.339 31.823 -0.241 0.000 0.672 186 V HN 0.474 nan 8.190 nan 0.000 0.457 187 M N -1.443 117.926 119.600 -0.385 0.000 2.331 187 M HA 0.354 4.837 4.480 0.006 0.000 0.266 187 M C 1.537 177.716 176.300 -0.202 0.000 1.055 187 M CA 0.708 55.700 55.300 -0.513 0.000 1.048 187 M CB 0.603 32.787 32.600 -0.693 0.000 1.460 187 M HN 0.427 nan 8.290 nan 0.000 0.519 188 G N 2.045 110.757 108.800 -0.147 0.000 2.672 188 G HA2 -0.421 3.542 3.960 0.006 0.000 0.324 188 G HA3 -0.421 3.542 3.960 0.006 0.000 0.324 188 G C 0.898 175.751 174.900 -0.078 0.000 1.286 188 G CA 1.242 46.296 45.100 -0.077 0.000 1.004 188 G HN 0.549 nan 8.290 nan 0.000 0.548 189 S N -0.567 115.105 115.700 -0.046 0.000 2.507 189 S HA 0.075 4.548 4.470 0.006 0.000 0.235 189 S C 2.177 176.620 174.600 -0.262 0.000 0.988 189 S CA 1.846 59.962 58.200 -0.140 0.000 0.944 189 S CB -0.130 63.050 63.200 -0.034 0.000 0.762 189 S HN 0.977 nan 8.310 nan 0.000 0.526 190 S N 0.310 115.979 115.700 -0.051 0.000 2.515 190 S HA 0.083 4.557 4.470 0.006 0.000 0.231 190 S C 0.241 174.831 174.600 -0.016 0.000 0.987 190 S CA 0.005 58.228 58.200 0.038 0.000 0.936 190 S CB -0.447 62.902 63.200 0.248 0.000 0.766 190 S HN 0.719 nan 8.310 nan 0.000 0.528 191 Y N 3.045 123.189 120.300 -0.260 0.000 2.539 191 Y HA 0.491 5.045 4.550 0.006 0.000 0.352 191 Y C 1.224 176.887 175.900 -0.395 0.000 1.004 191 Y CA -1.619 56.300 58.100 -0.300 0.000 1.278 191 Y CB 0.032 38.317 38.460 -0.292 0.000 1.136 191 Y HN 0.043 nan 8.280 nan 0.000 0.528 192 G N 4.427 112.811 108.800 -0.694 0.000 2.471 192 G HA2 -0.250 3.714 3.960 0.006 0.000 0.219 192 G HA3 -0.250 3.714 3.960 0.006 0.000 0.219 192 G C 1.016 175.397 174.900 -0.865 0.000 1.125 192 G CA 0.285 44.992 45.100 -0.655 0.000 0.775 192 G HN 0.632 nan 8.290 nan 0.000 0.548 193 F N 1.099 120.284 119.950 -1.275 0.000 2.661 193 F HA 0.060 4.591 4.527 0.007 0.000 0.298 193 F C 2.818 178.304 175.800 -0.523 0.000 1.137 193 F CA 0.714 58.051 58.000 -1.105 0.000 1.454 193 F CB -0.066 38.263 39.000 -1.118 0.000 1.103 193 F HN 0.355 nan 8.300 nan 0.000 0.577 194 Q N -0.411 119.093 119.800 -0.493 0.000 2.436 194 Q HA -0.134 4.210 4.340 0.006 0.000 0.209 194 Q C -0.543 175.329 176.000 -0.213 0.000 0.965 194 Q CA 0.951 56.589 55.803 -0.274 0.000 0.910 194 Q CB -0.378 28.123 28.738 -0.394 0.000 0.980 194 Q HN 0.287 nan 8.270 nan 0.000 0.491 195 Y N 1.953 122.245 120.300 -0.014 0.000 2.342 195 Y HA 0.271 4.825 4.550 0.006 0.000 0.334 195 Y C 0.676 176.393 175.900 -0.306 0.000 1.067 195 Y CA -1.289 56.752 58.100 -0.099 0.000 1.128 195 Y CB 1.371 39.742 38.460 -0.149 0.000 1.200 195 Y HN 0.115 nan 8.280 nan 0.000 0.464 196 S N 2.966 118.374 115.700 -0.488 0.000 2.580 196 S HA 0.045 4.519 4.470 0.006 0.000 0.261 196 S C -1.908 172.355 174.600 -0.562 0.000 1.366 196 S CA -0.779 56.707 58.200 -1.189 0.000 0.996 196 S CB 0.650 63.438 63.200 -0.686 0.000 0.902 196 S HN 0.476 nan 8.310 nan 0.000 0.566 197 P HA 0.049 nan 4.420 nan 0.000 0.217 197 P C 1.662 178.884 177.300 -0.129 0.000 1.150 197 P CA 1.605 64.571 63.100 -0.223 0.000 0.832 197 P CB -0.502 31.120 31.700 -0.129 0.000 0.787 198 G N -0.440 108.273 108.800 -0.145 0.000 2.403 198 G HA2 -0.225 3.739 3.960 0.006 0.000 0.216 198 G HA3 -0.225 3.739 3.960 0.006 0.000 0.216 198 G C 1.507 176.353 174.900 -0.089 0.000 1.154 198 G CA 0.370 45.437 45.100 -0.056 0.000 0.784 198 G HN 0.288 nan 8.290 nan 0.000 0.538 199 Q N -0.451 119.274 119.800 -0.126 0.000 2.119 199 Q HA -0.007 4.336 4.340 0.006 0.000 0.201 199 Q C 2.567 178.381 176.000 -0.309 0.000 0.972 199 Q CA 0.928 56.654 55.803 -0.128 0.000 0.847 199 Q CB -0.117 28.635 28.738 0.023 0.000 0.903 199 Q HN 0.444 nan 8.270 nan 0.000 0.433 200 R N 0.346 120.697 120.500 -0.249 0.000 2.092 200 R HA -0.105 4.238 4.340 0.006 0.000 0.231 200 R C 2.053 178.238 176.300 -0.191 0.000 1.119 200 R CA 0.953 56.876 56.100 -0.295 0.000 0.970 200 R CB -0.054 30.189 30.300 -0.096 0.000 0.864 200 R HN 0.094 nan 8.270 nan 0.000 0.440 201 V N 1.613 121.448 119.914 -0.132 0.000 2.287 201 V HA -0.263 3.861 4.120 0.006 0.000 0.248 201 V C 2.403 178.404 176.094 -0.154 0.000 1.053 201 V CA 2.315 64.545 62.300 -0.116 0.000 1.027 201 V CB -0.596 31.200 31.823 -0.046 0.000 0.646 201 V HN 0.507 nan 8.190 nan 0.000 0.447 202 E N -0.438 119.685 120.200 -0.128 0.000 2.077 202 E HA -0.281 4.073 4.350 0.006 0.000 0.193 202 E C 2.148 178.672 176.600 -0.126 0.000 0.989 202 E CA 1.740 58.071 56.400 -0.116 0.000 0.800 202 E CB -0.236 29.421 29.700 -0.072 0.000 0.746 202 E HN 0.545 nan 8.360 nan 0.000 0.452 203 F N 1.304 121.056 119.950 -0.330 0.000 2.134 203 F HA -0.127 4.404 4.527 0.006 0.000 0.299 203 F C 1.944 177.615 175.800 -0.215 0.000 1.097 203 F CA 1.228 59.038 58.000 -0.317 0.000 1.264 203 F CB -0.218 38.440 39.000 -0.571 0.000 1.001 203 F HN 0.011 nan 8.300 nan 0.000 0.479 204 L N -0.790 120.285 121.223 -0.247 0.000 2.017 204 L HA -0.229 4.115 4.340 0.006 0.000 0.208 204 L C 2.387 179.093 176.870 -0.274 0.000 1.073 204 L CA 1.212 55.882 54.840 -0.284 0.000 0.745 204 L CB -0.834 41.108 42.059 -0.194 0.000 0.894 204 L HN 0.009 nan 8.230 nan 0.000 0.432 205 V N -0.013 119.723 119.914 -0.297 0.000 2.261 205 V HA -0.270 3.853 4.120 0.006 0.000 0.246 205 V C 2.188 178.166 176.094 -0.193 0.000 1.047 205 V CA 1.912 64.015 62.300 -0.329 0.000 1.015 205 V CB -0.721 30.759 31.823 -0.571 0.000 0.642 205 V HN 0.472 nan 8.190 nan 0.000 0.446 206 N N 0.180 118.755 118.700 -0.208 0.000 2.149 206 N HA -0.140 4.604 4.740 0.006 0.000 0.188 206 N C 1.886 177.279 175.510 -0.195 0.000 1.019 206 N CA 1.936 54.887 53.050 -0.164 0.000 0.857 206 N CB -0.654 37.755 38.487 -0.130 0.000 0.997 206 N HN 0.486 nan 8.380 nan 0.000 0.426 207 T N 0.150 114.503 114.554 -0.334 0.000 2.777 207 T HA -0.124 4.230 4.350 0.006 0.000 0.266 207 T C 1.498 176.115 174.700 -0.139 0.000 1.040 207 T CA 0.538 62.442 62.100 -0.326 0.000 1.141 207 T CB -0.182 68.340 68.868 -0.577 0.000 0.868 207 T HN 0.418 nan 8.240 nan 0.000 0.444 208 W N 2.451 123.592 121.300 -0.266 0.000 2.355 208 W HA -0.101 4.563 4.660 0.006 0.000 0.309 208 W C 1.897 178.331 176.519 -0.141 0.000 1.206 208 W CA 1.157 58.388 57.345 -0.189 0.000 1.284 208 W CB -0.148 29.196 29.460 -0.193 0.000 1.145 208 W HN 0.214 nan 8.180 nan 0.000 0.502 209 K N 0.325 120.736 120.400 0.019 0.000 2.147 209 K HA -0.162 4.162 4.320 0.006 0.000 0.205 209 K C 2.105 178.647 176.600 -0.096 0.000 1.049 209 K CA 1.746 58.010 56.287 -0.039 0.000 0.936 209 K CB -0.531 31.961 32.500 -0.013 0.000 0.722 209 K HN 0.128 nan 8.250 nan 0.000 0.446 210 S N 0.775 116.408 115.700 -0.112 0.000 2.447 210 S HA -0.055 4.418 4.470 0.006 0.000 0.233 210 S C 0.665 175.186 174.600 -0.133 0.000 1.006 210 S CA 0.624 58.759 58.200 -0.108 0.000 0.957 210 S CB 0.001 63.139 63.200 -0.104 0.000 0.773 210 S HN -0.024 nan 8.310 nan 0.000 0.507 211 K N 1.846 122.124 120.400 -0.202 0.000 2.205 211 K HA 0.371 4.694 4.320 0.006 0.000 0.279 211 K C 0.763 177.246 176.600 -0.196 0.000 1.027 211 K CA -0.429 55.725 56.287 -0.220 0.000 0.932 211 K CB 1.187 33.487 32.500 -0.333 0.000 1.032 211 K HN 0.146 nan 8.250 nan 0.000 0.466 212 K N 1.531 121.847 120.400 -0.140 0.000 2.002 212 K HA -0.066 4.258 4.320 0.006 0.000 0.209 212 K C -0.136 176.385 176.600 -0.131 0.000 1.048 212 K CA 1.307 57.528 56.287 -0.110 0.000 0.930 212 K CB 0.245 32.699 32.500 -0.076 0.000 0.714 212 K HN 0.495 nan 8.250 nan 0.000 0.438 213 N N 1.443 120.056 118.700 -0.146 0.000 2.682 213 N HA 0.229 4.973 4.740 0.006 0.000 0.252 213 N C -2.830 172.546 175.510 -0.223 0.000 1.081 213 N CA -1.208 51.755 53.050 -0.146 0.000 0.844 213 N CB 1.780 40.222 38.487 -0.074 0.000 1.167 213 N HN 0.100 nan 8.380 nan 0.000 0.523 214 P HA 0.184 nan 4.420 nan 0.000 0.276 214 P C -0.276 176.661 177.300 -0.604 0.000 1.230 214 P CA -0.318 62.302 63.100 -0.800 0.000 0.776 214 P CB 1.331 31.952 31.700 -1.798 0.000 0.888 215 M N 2.420 121.776 119.600 -0.407 0.000 2.572 215 M HA 0.720 5.203 4.480 0.006 0.000 0.299 215 M C -1.190 175.069 176.300 -0.069 0.000 1.205 215 M CA -0.410 54.742 55.300 -0.247 0.000 0.876 215 M CB 2.582 35.090 32.600 -0.153 0.000 1.728 215 M HN 0.564 nan 8.290 nan 0.000 0.458 216 G N 3.195 112.041 108.800 0.076 0.000 2.718 216 G HA2 0.777 4.741 3.960 0.006 0.000 0.295 216 G HA3 0.777 4.741 3.960 0.006 0.000 0.295 216 G C -2.049 172.940 174.900 0.148 0.000 1.421 216 G CA -0.616 44.571 45.100 0.145 0.000 0.902 216 G HN 0.848 nan 8.290 nan 0.000 0.501 217 F N -0.357 119.551 119.950 -0.070 0.000 2.668 217 F HA 0.829 5.360 4.527 0.006 0.000 0.309 217 F C -0.271 175.509 175.800 -0.034 0.000 1.117 217 F CA -1.408 56.550 58.000 -0.072 0.000 0.951 217 F CB 1.459 40.398 39.000 -0.102 0.000 1.323 217 F HN 0.655 nan 8.300 nan 0.000 0.451 218 S N 0.986 116.754 115.700 0.112 0.000 2.549 218 S HA 0.660 5.134 4.470 0.006 0.000 0.297 218 S C -1.620 173.164 174.600 0.307 0.000 1.115 218 S CA -0.611 57.631 58.200 0.070 0.000 1.059 218 S CB 1.731 64.959 63.200 0.046 0.000 1.046 218 S HN 0.895 nan 8.310 nan 0.000 0.506 219 Y N 1.449 121.855 120.300 0.177 0.000 2.331 219 Y HA 0.475 5.029 4.550 0.006 0.000 0.334 219 Y C -1.033 174.995 175.900 0.214 0.000 0.960 219 Y CA -0.804 57.476 58.100 0.300 0.000 1.130 219 Y CB 1.435 40.185 38.460 0.483 0.000 1.164 219 Y HN 0.861 nan 8.280 nan 0.000 0.458 220 D N 4.289 124.565 120.400 -0.207 0.000 2.329 220 D HA 0.239 4.883 4.640 0.006 0.000 0.232 220 D C -0.876 175.299 176.300 -0.209 0.000 1.088 220 D CA -0.099 53.837 54.000 -0.108 0.000 0.835 220 D CB 1.126 41.884 40.800 -0.070 0.000 1.078 220 D HN 0.492 nan 8.370 nan 0.000 0.495 221 T N 4.090 118.716 114.554 0.121 0.000 2.817 221 T HA 0.160 4.514 4.350 0.006 0.000 0.293 221 T C 0.413 175.218 174.700 0.174 0.000 0.964 221 T CA -0.584 61.661 62.100 0.242 0.000 1.085 221 T CB 0.736 69.951 68.868 0.579 0.000 0.921 221 T HN 0.299 nan 8.240 nan 0.000 0.502 222 R N 2.364 122.920 120.500 0.093 0.000 2.446 222 R HA 0.055 4.399 4.340 0.006 0.000 0.314 222 R C -0.254 176.148 176.300 0.172 0.000 1.003 222 R CA -0.089 56.060 56.100 0.081 0.000 1.018 222 R CB -0.699 29.596 30.300 -0.008 0.000 0.945 222 R HN 0.948 nan 8.270 nan 0.000 0.419 223 C N 5.770 125.196 119.300 0.211 0.000 3.514 223 C HA -0.173 4.291 4.460 0.006 0.000 0.286 223 C C 1.398 176.590 174.990 0.337 0.000 1.302 223 C CA 0.233 59.420 59.018 0.282 0.000 2.239 223 C CB -2.863 25.076 27.740 0.332 0.000 1.429 223 C HN 1.006 nan 8.230 nan 0.000 0.565 224 F N 1.954 122.023 119.950 0.199 0.000 2.115 224 F HA -0.195 4.335 4.527 0.005 0.000 0.300 224 F C 1.875 177.786 175.800 0.186 0.000 1.092 224 F CA 2.468 60.586 58.000 0.197 0.000 1.245 224 F CB -0.017 39.089 39.000 0.177 0.000 0.995 224 F HN 0.494 nan 8.300 nan 0.000 0.481 225 D N -0.453 120.190 120.400 0.406 0.000 2.133 225 D HA -0.173 4.471 4.640 0.006 0.000 0.195 225 D C 2.451 178.820 176.300 0.115 0.000 0.997 225 D CA 1.707 55.869 54.000 0.270 0.000 0.840 225 D CB -0.586 40.374 40.800 0.266 0.000 0.947 225 D HN 0.254 nan 8.370 nan 0.000 0.452 226 S N -0.547 115.240 115.700 0.145 0.000 2.453 226 S HA -0.092 4.381 4.470 0.006 0.000 0.231 226 S C 1.985 176.531 174.600 -0.090 0.000 1.005 226 S CA 1.274 59.461 58.200 -0.022 0.000 0.949 226 S CB -0.207 63.018 63.200 0.041 0.000 0.774 226 S HN 0.529 nan 8.310 nan 0.000 0.510 227 T N -0.450 114.138 114.554 0.057 0.000 3.085 227 T HA 0.116 4.470 4.350 0.006 0.000 0.263 227 T C 0.569 175.189 174.700 -0.134 0.000 1.127 227 T CA 0.075 62.185 62.100 0.017 0.000 1.103 227 T CB -0.360 68.480 68.868 -0.046 0.000 0.921 227 T HN 0.024 nan 8.240 nan 0.000 0.510 228 V N 3.735 123.549 119.914 -0.166 0.000 2.488 228 V HA 0.388 4.512 4.120 0.006 0.000 0.277 228 V C 1.007 177.046 176.094 -0.091 0.000 1.046 228 V CA -0.433 61.789 62.300 -0.131 0.000 0.986 228 V CB 0.580 32.377 31.823 -0.044 0.000 0.989 228 V HN 0.702 nan 8.190 nan 0.000 0.475 229 T N 0.609 115.122 114.554 -0.068 0.000 2.936 229 T HA 0.339 4.692 4.350 0.006 0.000 0.282 229 T C 1.051 175.730 174.700 -0.036 0.000 1.003 229 T CA -0.272 61.791 62.100 -0.062 0.000 1.005 229 T CB 1.621 70.447 68.868 -0.070 0.000 1.097 229 T HN 0.714 nan 8.240 nan 0.000 0.532 230 E N 0.815 120.999 120.200 -0.026 0.000 2.070 230 E HA -0.351 4.003 4.350 0.006 0.000 0.197 230 E C 1.876 178.475 176.600 -0.001 0.000 1.004 230 E CA 2.035 58.434 56.400 -0.002 0.000 0.805 230 E CB -0.310 29.398 29.700 0.013 0.000 0.744 230 E HN 0.758 nan 8.360 nan 0.000 0.451 231 N N 0.789 119.478 118.700 -0.019 0.000 2.036 231 N HA -0.220 4.523 4.740 0.006 0.000 0.195 231 N C 1.490 177.005 175.510 0.008 0.000 1.037 231 N CA 2.337 55.378 53.050 -0.015 0.000 0.855 231 N CB -0.257 38.200 38.487 -0.051 0.000 1.033 231 N HN 0.187 nan 8.380 nan 0.000 0.423 232 D N -0.106 120.298 120.400 0.006 0.000 2.123 232 D HA -0.139 4.505 4.640 0.006 0.000 0.196 232 D C 1.979 178.289 176.300 0.016 0.000 0.992 232 D CA 1.098 55.117 54.000 0.031 0.000 0.833 232 D CB -0.289 40.525 40.800 0.022 0.000 0.954 232 D HN 0.478 nan 8.370 nan 0.000 0.455 233 I N 0.380 120.960 120.570 0.017 0.000 2.439 233 I HA -0.145 4.029 4.170 0.006 0.000 0.251 233 I C 2.455 178.581 176.117 0.013 0.000 1.139 233 I CA 0.713 62.030 61.300 0.028 0.000 1.438 233 I CB -0.012 38.027 38.000 0.064 0.000 1.085 233 I HN -0.135 nan 8.210 nan 0.000 0.427 234 R N -0.025 120.483 120.500 0.013 0.000 2.092 234 R HA -0.072 4.272 4.340 0.006 0.000 0.231 234 R C 2.317 178.595 176.300 -0.037 0.000 1.119 234 R CA 0.957 57.058 56.100 0.002 0.000 0.970 234 R CB -0.319 29.987 30.300 0.010 0.000 0.864 234 R HN 0.189 nan 8.270 nan 0.000 0.440 235 V N 1.378 121.272 119.914 -0.032 0.000 2.358 235 V HA -0.234 3.890 4.120 0.006 0.000 0.246 235 V C 1.887 177.884 176.094 -0.162 0.000 1.047 235 V CA 1.793 64.059 62.300 -0.056 0.000 1.035 235 V CB -0.358 31.471 31.823 0.011 0.000 0.658 235 V HN 0.342 nan 8.190 nan 0.000 0.452 236 E N -0.162 119.913 120.200 -0.209 0.000 2.038 236 E HA -0.296 4.058 4.350 0.006 0.000 0.195 236 E C 2.305 178.410 176.600 -0.824 0.000 1.000 236 E CA 1.628 57.736 56.400 -0.486 0.000 0.803 236 E CB -0.225 29.234 29.700 -0.402 0.000 0.750 236 E HN 0.645 nan 8.360 nan 0.000 0.448 237 E N 0.563 120.506 120.200 -0.428 0.000 2.097 237 E HA -0.235 4.118 4.350 0.006 0.000 0.196 237 E C 2.142 178.654 176.600 -0.147 0.000 1.000 237 E CA 1.677 57.967 56.400 -0.184 0.000 0.804 237 E CB -0.018 29.714 29.700 0.054 0.000 0.740 237 E HN 0.252 nan 8.360 nan 0.000 0.454 238 S N 0.170 115.788 115.700 -0.138 0.000 2.402 238 S HA -0.134 4.340 4.470 0.006 0.000 0.229 238 S C 2.057 176.600 174.600 -0.094 0.000 1.021 238 S CA 0.931 59.084 58.200 -0.078 0.000 0.974 238 S CB -0.527 62.637 63.200 -0.060 0.000 0.800 238 S HN 0.304 nan 8.310 nan 0.000 0.484 239 I N 0.365 120.826 120.570 -0.183 0.000 2.142 239 I HA -0.177 3.997 4.170 0.006 0.000 0.240 239 I C 2.422 178.513 176.117 -0.044 0.000 1.078 239 I CA 1.556 62.763 61.300 -0.155 0.000 1.343 239 I CB -0.600 37.264 38.000 -0.227 0.000 1.046 239 I HN 0.222 nan 8.210 nan 0.000 0.405 240 Y N 1.128 121.418 120.300 -0.016 0.000 2.128 240 Y HA -0.244 4.310 4.550 0.006 0.000 0.284 240 Y C 2.709 178.610 175.900 0.001 0.000 1.154 240 Y CA 0.753 58.848 58.100 -0.008 0.000 1.149 240 Y CB -1.220 37.249 38.460 0.016 0.000 0.976 240 Y HN 0.250 nan 8.280 nan 0.000 0.505 241 Q N -0.994 118.898 119.800 0.152 0.000 2.364 241 Q HA -0.153 4.190 4.340 0.006 0.000 0.209 241 Q C 2.362 178.392 176.000 0.050 0.000 0.977 241 Q CA 1.174 57.030 55.803 0.088 0.000 0.885 241 Q CB -0.955 27.819 28.738 0.061 0.000 0.941 241 Q HN 0.536 nan 8.270 nan 0.000 0.464 242 C N 0.392 119.713 119.300 0.035 0.000 2.419 242 C HA -0.084 4.379 4.460 0.006 0.000 0.281 242 C C 1.672 176.676 174.990 0.022 0.000 1.336 242 C CA -0.637 58.391 59.018 0.017 0.000 1.770 242 C CB -0.876 26.863 27.740 -0.002 0.000 1.929 242 C HN 0.436 nan 8.230 nan 0.000 0.509 243 C N 1.937 121.260 119.300 0.038 0.000 2.727 243 C HA 0.110 4.574 4.460 0.006 0.000 0.401 243 C C 0.633 175.640 174.990 0.028 0.000 1.294 243 C CA -0.309 58.727 59.018 0.030 0.000 2.134 243 C CB -0.277 27.486 27.740 0.039 0.000 2.724 243 C HN 0.515 nan 8.230 nan 0.000 0.677 244 D N 1.752 122.164 120.400 0.021 0.000 2.344 244 D HA 0.403 5.047 4.640 0.006 0.000 0.253 244 D C -0.612 175.705 176.300 0.028 0.000 1.255 244 D CA 0.336 54.349 54.000 0.021 0.000 0.894 244 D CB -0.017 40.792 40.800 0.015 0.000 1.067 244 D HN 0.403 nan 8.370 nan 0.000 0.492 245 L N 2.146 123.391 121.223 0.036 0.000 2.354 245 L HA 0.625 4.968 4.340 0.006 0.000 0.264 245 L C 0.529 177.429 176.870 0.049 0.000 1.008 245 L CA -1.413 53.455 54.840 0.047 0.000 0.819 245 L CB 1.799 43.893 42.059 0.058 0.000 1.339 245 L HN 0.336 nan 8.230 nan 0.000 0.420 246 A N 2.183 125.038 122.820 0.059 0.000 2.520 246 A HA 0.214 4.538 4.320 0.006 0.000 0.235 246 A C -1.815 175.811 177.584 0.070 0.000 1.065 246 A CA -0.527 51.549 52.037 0.065 0.000 0.764 246 A CB -0.249 18.799 19.000 0.080 0.000 1.002 246 A HN 0.645 nan 8.150 nan 0.000 0.502 247 P HA -0.151 nan 4.420 nan 0.000 0.215 247 P C 1.171 178.509 177.300 0.065 0.000 1.153 247 P CA 1.578 64.709 63.100 0.052 0.000 0.853 247 P CB 0.175 31.899 31.700 0.040 0.000 0.788 248 E N -0.591 119.672 120.200 0.105 0.000 2.085 248 E HA -0.196 4.158 4.350 0.006 0.000 0.194 248 E C 2.061 178.764 176.600 0.171 0.000 0.994 248 E CA 1.235 57.725 56.400 0.150 0.000 0.801 248 E CB -0.541 29.340 29.700 0.300 0.000 0.743 248 E HN 0.148 nan 8.360 nan 0.000 0.453 249 A N 1.593 124.540 122.820 0.211 0.000 1.883 249 A HA -0.257 4.067 4.320 0.006 0.000 0.217 249 A C 2.112 179.756 177.584 0.101 0.000 1.186 249 A CA 1.807 53.964 52.037 0.200 0.000 0.624 249 A CB -0.555 18.542 19.000 0.162 0.000 0.822 249 A HN 0.114 nan 8.150 nan 0.000 0.444 250 R N -1.049 119.495 120.500 0.073 0.000 2.081 250 R HA -0.219 4.124 4.340 0.006 0.000 0.235 250 R C 2.392 178.700 176.300 0.014 0.000 1.131 250 R CA 1.947 58.078 56.100 0.050 0.000 0.960 250 R CB -0.231 30.096 30.300 0.044 0.000 0.856 250 R HN 0.552 nan 8.270 nan 0.000 0.436 251 Q N 0.212 120.001 119.800 -0.018 0.000 2.049 251 Q HA -0.010 4.334 4.340 0.006 0.000 0.198 251 Q C 1.830 177.745 176.000 -0.142 0.000 0.971 251 Q CA 2.100 57.859 55.803 -0.073 0.000 0.833 251 Q CB -0.315 28.367 28.738 -0.093 0.000 0.896 251 Q HN 0.409 nan 8.270 nan 0.000 0.434 252 A N 0.119 122.810 122.820 -0.214 0.000 1.933 252 A HA -0.133 4.191 4.320 0.006 0.000 0.218 252 A C 2.138 179.638 177.584 -0.141 0.000 1.175 252 A CA 1.489 53.321 52.037 -0.341 0.000 0.628 252 A CB -0.704 17.939 19.000 -0.595 0.000 0.814 252 A HN 0.476 nan 8.150 nan 0.000 0.444 253 I N -0.672 119.886 120.570 -0.020 0.000 2.353 253 I HA -0.218 3.956 4.170 0.006 0.000 0.248 253 I C 2.482 178.638 176.117 0.064 0.000 1.119 253 I CA 1.650 62.990 61.300 0.067 0.000 1.417 253 I CB -0.164 37.912 38.000 0.126 0.000 1.078 253 I HN 0.410 nan 8.210 nan 0.000 0.421 254 K N 0.545 120.958 120.400 0.022 0.000 2.026 254 K HA -0.215 4.109 4.320 0.006 0.000 0.208 254 K C 2.325 178.904 176.600 -0.034 0.000 1.048 254 K CA 1.913 58.207 56.287 0.012 0.000 0.929 254 K CB -0.145 32.351 32.500 -0.006 0.000 0.713 254 K HN 0.080 nan 8.250 nan 0.000 0.439 255 S N 0.525 116.171 115.700 -0.089 0.000 2.368 255 S HA -0.055 4.418 4.470 0.006 0.000 0.225 255 S C 1.904 176.405 174.600 -0.165 0.000 1.030 255 S CA 1.085 59.208 58.200 -0.128 0.000 0.999 255 S CB -0.232 62.858 63.200 -0.183 0.000 0.844 255 S HN 0.355 nan 8.310 nan 0.000 0.459 256 L N 0.662 121.757 121.223 -0.212 0.000 2.083 256 L HA -0.094 4.250 4.340 0.006 0.000 0.209 256 L C 2.701 179.270 176.870 -0.503 0.000 1.083 256 L CA 1.409 55.997 54.840 -0.420 0.000 0.752 256 L CB -0.914 40.860 42.059 -0.474 0.000 0.899 256 L HN 0.325 nan 8.230 nan 0.000 0.433 257 T N -0.941 113.530 114.554 -0.139 0.000 2.708 257 T HA -0.148 4.206 4.350 0.006 0.000 0.266 257 T C 1.778 176.485 174.700 0.013 0.000 1.037 257 T CA 1.169 63.323 62.100 0.090 0.000 1.146 257 T CB -0.093 68.896 68.868 0.201 0.000 0.865 257 T HN 0.314 nan 8.240 nan 0.000 0.435 258 E N 1.140 121.327 120.200 -0.022 0.000 2.072 258 E HA -0.051 4.303 4.350 0.006 0.000 0.191 258 E C 2.360 178.940 176.600 -0.033 0.000 0.985 258 E CA 0.974 57.365 56.400 -0.015 0.000 0.801 258 E CB -0.127 29.560 29.700 -0.022 0.000 0.750 258 E HN 0.466 nan 8.360 nan 0.000 0.452 259 R N -0.550 119.899 120.500 -0.085 0.000 2.223 259 R HA 0.102 4.445 4.340 0.006 0.000 0.198 259 R C 1.856 178.093 176.300 -0.105 0.000 0.984 259 R CA 0.268 56.318 56.100 -0.083 0.000 1.018 259 R CB 0.249 30.493 30.300 -0.094 0.000 0.945 259 R HN 0.038 nan 8.270 nan 0.000 0.479 260 L N -2.067 119.050 121.223 -0.175 0.000 2.666 260 L HA 0.192 4.535 4.340 0.006 0.000 0.184 260 L C 1.308 178.167 176.870 -0.019 0.000 1.092 260 L CA 0.836 55.578 54.840 -0.164 0.000 0.857 260 L CB -0.279 41.587 42.059 -0.321 0.000 1.281 260 L HN -0.120 nan 8.230 nan 0.000 0.489 261 Y N 0.286 120.599 120.300 0.022 0.000 2.200 261 Y HA -0.072 4.482 4.550 0.005 0.000 0.290 261 Y C 2.567 178.473 175.900 0.009 0.000 1.137 261 Y CA 1.444 59.566 58.100 0.036 0.000 1.163 261 Y CB -0.886 37.621 38.460 0.078 0.000 0.988 261 Y HN 0.118 nan 8.280 nan 0.000 0.518 262 I N -0.964 119.695 120.570 0.150 0.000 2.361 262 I HA -0.059 4.115 4.170 0.006 0.000 0.251 262 I C 1.206 177.331 176.117 0.014 0.000 1.133 262 I CA 1.381 62.726 61.300 0.074 0.000 1.413 262 I CB -0.303 37.734 38.000 0.062 0.000 1.073 262 I HN 0.311 nan 8.210 nan 0.000 0.424 263 G N -1.177 107.607 108.800 -0.027 0.000 2.341 263 G HA2 0.473 4.437 3.960 0.006 0.000 0.293 263 G HA3 0.473 4.437 3.960 0.006 0.000 0.293 263 G C -0.978 173.744 174.900 -0.296 0.000 1.298 263 G CA -0.219 44.783 45.100 -0.163 0.000 0.868 263 G HN 0.418 nan 8.290 nan 0.000 0.540 264 G N -0.914 107.385 108.800 -0.836 0.000 2.321 264 G HA2 0.687 4.651 3.960 0.006 0.000 0.298 264 G HA3 0.687 4.651 3.960 0.006 0.000 0.298 264 G C -3.474 170.794 174.900 -1.052 0.000 1.385 264 G CA 0.078 44.693 45.100 -0.808 0.000 0.856 264 G HN 0.801 nan 8.290 nan 0.000 0.584 265 P HA 0.408 nan 4.420 nan 0.000 0.276 265 P C -0.518 176.707 177.300 -0.125 0.000 1.230 265 P CA -0.093 62.938 63.100 -0.116 0.000 0.776 265 P CB 1.210 32.950 31.700 0.066 0.000 0.888 266 L N 3.081 124.271 121.223 -0.055 0.000 2.287 266 L HA 0.408 4.752 4.340 0.006 0.000 0.287 266 L C 0.665 177.546 176.870 0.018 0.000 1.022 266 L CA -0.216 54.615 54.840 -0.015 0.000 0.814 266 L CB 1.309 43.400 42.059 0.054 0.000 1.217 266 L HN 0.265 nan 8.230 nan 0.000 0.420 267 T N 1.847 116.384 114.554 -0.027 0.000 2.797 267 T HA 0.309 4.662 4.350 0.006 0.000 0.279 267 T C -0.066 174.614 174.700 -0.033 0.000 0.991 267 T CA -0.792 61.293 62.100 -0.024 0.000 0.979 267 T CB 1.236 70.074 68.868 -0.050 0.000 0.943 267 T HN 0.637 nan 8.240 nan 0.000 0.444 268 N N 0.932 119.631 118.700 -0.003 0.000 2.381 268 N HA 0.087 4.831 4.740 0.006 0.000 0.254 268 N C 1.372 176.873 175.510 -0.015 0.000 1.264 268 N CA -0.364 52.685 53.050 -0.002 0.000 0.942 268 N CB 0.250 38.746 38.487 0.015 0.000 1.190 268 N HN 0.452 nan 8.380 nan 0.000 0.495 269 S N -0.993 114.708 115.700 0.001 0.000 2.493 269 S HA -0.124 4.349 4.470 0.006 0.000 0.243 269 S C 0.910 175.507 174.600 -0.005 0.000 0.991 269 S CA 0.734 58.937 58.200 0.005 0.000 0.957 269 S CB -0.444 62.774 63.200 0.029 0.000 0.756 269 S HN 0.651 nan 8.310 nan 0.000 0.521 270 K N 0.437 120.834 120.400 -0.004 0.000 2.387 270 K HA 0.284 4.608 4.320 0.006 0.000 0.198 270 K C 1.228 177.821 176.600 -0.013 0.000 1.022 270 K CA 0.355 56.639 56.287 -0.007 0.000 1.128 270 K CB 0.079 32.579 32.500 0.000 0.000 0.853 270 K HN 0.532 nan 8.250 nan 0.000 0.523 271 G N 1.521 110.309 108.800 -0.020 0.000 2.176 271 G HA2 -0.287 3.677 3.960 0.006 0.000 0.253 271 G HA3 -0.287 3.677 3.960 0.006 0.000 0.253 271 G C -0.104 174.791 174.900 -0.009 0.000 0.979 271 G CA -0.086 44.999 45.100 -0.024 0.000 0.641 271 G HN 0.352 nan 8.290 nan 0.000 0.530 272 Q N 0.271 120.072 119.800 0.002 0.000 2.259 272 Q HA 0.316 4.659 4.340 0.006 0.000 0.246 272 Q C 0.341 176.359 176.000 0.030 0.000 0.920 272 Q CA -0.586 55.227 55.803 0.017 0.000 0.895 272 Q CB 0.920 29.671 28.738 0.021 0.000 1.220 272 Q HN 0.383 nan 8.270 nan 0.000 0.439 273 N N 1.419 120.144 118.700 0.041 0.000 2.452 273 N HA -0.008 4.735 4.740 0.006 0.000 0.266 273 N C -0.287 175.281 175.510 0.096 0.000 1.175 273 N CA -0.256 52.831 53.050 0.063 0.000 0.945 273 N CB 0.578 39.103 38.487 0.064 0.000 1.063 273 N HN 0.596 nan 8.380 nan 0.000 0.472 274 C N 2.825 122.204 119.300 0.132 0.000 2.865 274 C HA 0.425 4.889 4.460 0.006 0.000 0.280 274 C C 1.177 176.363 174.990 0.327 0.000 1.255 274 C CA 0.447 59.597 59.018 0.220 0.000 1.705 274 C CB -0.917 26.973 27.740 0.251 0.000 2.080 274 C HN 0.961 nan 8.230 nan 0.000 0.591 275 G N -1.043 107.878 108.800 0.202 0.000 2.334 275 G HA2 0.253 4.217 3.960 0.006 0.000 0.249 275 G HA3 0.253 4.217 3.960 0.006 0.000 0.249 275 G C -2.075 172.876 174.900 0.086 0.000 1.327 275 G CA -0.419 44.759 45.100 0.130 0.000 0.979 275 G HN 0.052 nan 8.290 nan 0.000 0.471 276 Y N 0.740 120.920 120.300 -0.199 0.000 2.433 276 Y HA 0.722 5.275 4.550 0.006 0.000 0.337 276 Y C -0.005 175.761 175.900 -0.224 0.000 1.026 276 Y CA -0.802 57.202 58.100 -0.161 0.000 1.037 276 Y CB 1.838 40.218 38.460 -0.133 0.000 1.245 276 Y HN 0.725 nan 8.280 nan 0.000 0.443 277 R N 5.165 125.375 120.500 -0.484 0.000 2.312 277 R HA 0.546 4.890 4.340 0.006 0.000 0.311 277 R C -0.778 175.291 176.300 -0.386 0.000 1.004 277 R CA -0.535 55.300 56.100 -0.442 0.000 0.902 277 R CB 0.792 30.916 30.300 -0.294 0.000 1.073 277 R HN 0.897 nan 8.270 nan 0.000 0.457 278 R N 3.839 124.114 120.500 -0.375 0.000 2.776 278 R HA 0.224 4.567 4.340 0.006 0.000 0.391 278 R C -0.712 175.437 176.300 -0.252 0.000 1.116 278 R CA -0.374 55.606 56.100 -0.199 0.000 1.056 278 R CB 0.410 30.658 30.300 -0.088 0.000 1.369 278 R HN 0.804 nan 8.270 nan 0.000 0.590 279 C N -2.097 117.012 119.300 -0.318 0.000 3.311 279 C HA 0.605 5.069 4.460 0.006 0.000 0.366 279 C C -0.385 174.530 174.990 -0.124 0.000 1.694 279 C CA -1.509 57.361 59.018 -0.246 0.000 1.244 279 C CB 1.285 28.803 27.740 -0.369 0.000 2.038 279 C HN 0.414 nan 8.230 nan 0.000 0.436 280 R N 1.230 121.709 120.500 -0.034 0.000 2.522 280 R HA 0.496 4.840 4.340 0.006 0.000 0.284 280 R C 0.126 176.476 176.300 0.084 0.000 1.032 280 R CA 0.951 57.084 56.100 0.055 0.000 1.049 280 R CB -0.015 30.361 30.300 0.126 0.000 0.956 280 R HN 1.231 nan 8.270 nan 0.000 0.422 281 A N 3.381 126.265 122.820 0.106 0.000 2.366 281 A HA 0.232 4.556 4.320 0.006 0.000 0.272 281 A C 0.910 178.592 177.584 0.164 0.000 1.135 281 A CA 0.080 52.204 52.037 0.144 0.000 0.804 281 A CB 0.503 19.593 19.000 0.150 0.000 1.064 281 A HN 1.003 nan 8.150 nan 0.000 0.499 282 S N 1.790 117.602 115.700 0.188 0.000 2.527 282 S HA 0.142 4.616 4.470 0.006 0.000 0.222 282 S C 0.961 175.659 174.600 0.163 0.000 0.985 282 S CA 0.616 58.921 58.200 0.175 0.000 0.921 282 S CB 0.089 63.400 63.200 0.185 0.000 0.772 282 S HN 1.335 nan 8.310 nan 0.000 0.529 283 G N 1.768 110.687 108.800 0.199 0.000 4.912 283 G HA2 0.536 4.499 3.960 0.006 0.000 0.307 283 G HA3 0.536 4.499 3.960 0.006 0.000 0.307 283 G C -0.292 174.737 174.900 0.216 0.000 1.381 283 G CA -0.166 45.056 45.100 0.203 0.000 1.057 283 G HN 0.583 nan 8.290 nan 0.000 0.593 284 V N -2.144 117.875 119.914 0.175 0.000 3.126 284 V HA 0.594 4.717 4.120 0.006 0.000 0.314 284 V C 1.326 177.493 176.094 0.121 0.000 1.138 284 V CA -0.958 61.462 62.300 0.199 0.000 1.034 284 V CB 1.661 33.674 31.823 0.317 0.000 1.075 284 V HN 0.090 nan 8.190 nan 0.000 0.442 285 L N 2.168 123.478 121.223 0.144 0.000 2.079 285 L HA -0.051 4.293 4.340 0.006 0.000 0.210 285 L C 2.338 179.211 176.870 0.006 0.000 1.081 285 L CA 3.139 58.041 54.840 0.104 0.000 0.752 285 L CB -0.791 41.356 42.059 0.147 0.000 0.896 285 L HN 1.108 nan 8.230 nan 0.000 0.433 286 T N -6.053 108.424 114.554 -0.130 0.000 3.129 286 T HA -0.011 4.342 4.350 0.006 0.000 0.251 286 T C 1.617 176.251 174.700 -0.111 0.000 1.117 286 T CA 0.748 62.720 62.100 -0.213 0.000 1.034 286 T CB -0.688 67.889 68.868 -0.485 0.000 0.968 286 T HN 0.257 nan 8.240 nan 0.000 0.526 287 T N 2.052 116.576 114.554 -0.050 0.000 2.635 287 T HA -0.175 4.178 4.350 0.006 0.000 0.267 287 T C 2.189 176.906 174.700 0.029 0.000 1.040 287 T CA 1.863 63.974 62.100 0.018 0.000 1.156 287 T CB -0.699 68.205 68.868 0.059 0.000 0.863 287 T HN 0.550 nan 8.240 nan 0.000 0.430 288 S N -0.297 115.397 115.700 -0.010 0.000 2.343 288 S HA -0.164 4.310 4.470 0.006 0.000 0.219 288 S C 2.466 177.089 174.600 0.038 0.000 1.033 288 S CA 1.554 59.743 58.200 -0.019 0.000 1.014 288 S CB -0.987 62.088 63.200 -0.207 0.000 0.915 288 S HN 0.684 nan 8.310 nan 0.000 0.435 289 C N 1.349 120.638 119.300 -0.017 0.000 2.429 289 C HA 0.087 4.551 4.460 0.006 0.000 0.277 289 C C 2.818 177.852 174.990 0.074 0.000 1.262 289 C CA 1.128 60.152 59.018 0.010 0.000 1.733 289 C CB -1.857 25.846 27.740 -0.061 0.000 2.010 289 C HN 0.719 nan 8.230 nan 0.000 0.483 290 G N 0.709 109.565 108.800 0.093 0.000 2.459 290 G HA2 -0.238 3.726 3.960 0.006 0.000 0.217 290 G HA3 -0.238 3.726 3.960 0.006 0.000 0.217 290 G C 1.498 176.479 174.900 0.136 0.000 1.183 290 G CA 1.178 46.345 45.100 0.112 0.000 0.776 290 G HN 0.603 nan 8.290 nan 0.000 0.552 291 N N 0.413 119.196 118.700 0.139 0.000 2.120 291 N HA -0.083 4.660 4.740 0.006 0.000 0.188 291 N C 2.376 177.905 175.510 0.032 0.000 1.024 291 N CA 1.645 54.769 53.050 0.124 0.000 0.852 291 N CB -0.838 37.612 38.487 -0.061 0.000 1.003 291 N HN 0.256 nan 8.380 nan 0.000 0.424 292 T N 1.835 116.430 114.554 0.068 0.000 2.708 292 T HA -0.002 4.351 4.350 0.006 0.000 0.266 292 T C 2.155 176.920 174.700 0.109 0.000 1.037 292 T CA 0.657 62.814 62.100 0.096 0.000 1.146 292 T CB -0.279 68.717 68.868 0.212 0.000 0.865 292 T HN 0.123 nan 8.240 nan 0.000 0.435 293 L N 0.578 121.847 121.223 0.076 0.000 2.017 293 L HA -0.131 4.212 4.340 0.006 0.000 0.208 293 L C 2.959 179.916 176.870 0.145 0.000 1.073 293 L CA 1.302 56.176 54.840 0.057 0.000 0.745 293 L CB -0.982 41.072 42.059 -0.008 0.000 0.894 293 L HN 0.272 nan 8.230 nan 0.000 0.432 294 T N -1.451 113.211 114.554 0.179 0.000 2.777 294 T HA -0.228 4.126 4.350 0.006 0.000 0.266 294 T C 1.997 176.895 174.700 0.331 0.000 1.040 294 T CA 1.446 63.694 62.100 0.246 0.000 1.141 294 T CB -0.403 68.657 68.868 0.320 0.000 0.868 294 T HN 0.462 nan 8.240 nan 0.000 0.444 295 C N 0.555 120.080 119.300 0.374 0.000 2.446 295 C HA -0.058 4.405 4.460 0.006 0.000 0.277 295 C C 2.384 177.524 174.990 0.250 0.000 1.275 295 C CA 0.428 59.658 59.018 0.352 0.000 1.727 295 C CB -1.379 26.425 27.740 0.107 0.000 2.010 295 C HN 0.662 nan 8.230 nan 0.000 0.486 296 Y N 1.067 121.419 120.300 0.088 0.000 2.181 296 Y HA -0.124 4.429 4.550 0.006 0.000 0.288 296 Y C 2.165 178.082 175.900 0.028 0.000 1.146 296 Y CA 2.130 60.261 58.100 0.052 0.000 1.164 296 Y CB -0.514 37.959 38.460 0.021 0.000 0.982 296 Y HN 0.351 nan 8.280 nan 0.000 0.515 297 L N 0.963 122.268 121.223 0.137 0.000 1.994 297 L HA -0.157 4.187 4.340 0.006 0.000 0.208 297 L C 2.091 178.891 176.870 -0.116 0.000 1.071 297 L CA 2.000 56.805 54.840 -0.057 0.000 0.745 297 L CB -0.812 41.182 42.059 -0.108 0.000 0.892 297 L HN 0.107 nan 8.230 nan 0.000 0.431 298 K N -0.326 120.077 120.400 0.005 0.000 2.097 298 K HA -0.049 4.275 4.320 0.006 0.000 0.206 298 K C 2.077 178.715 176.600 0.063 0.000 1.049 298 K CA 1.315 57.624 56.287 0.038 0.000 0.933 298 K CB -0.397 32.206 32.500 0.171 0.000 0.717 298 K HN 0.503 nan 8.250 nan 0.000 0.442 299 A N 0.844 123.687 122.820 0.037 0.000 1.929 299 A HA -0.085 4.239 4.320 0.006 0.000 0.216 299 A C 2.163 179.768 177.584 0.035 0.000 1.176 299 A CA 1.449 53.526 52.037 0.067 0.000 0.628 299 A CB -0.376 18.728 19.000 0.172 0.000 0.816 299 A HN 0.142 nan 8.150 nan 0.000 0.444 300 S N 0.227 115.831 115.700 -0.160 0.000 2.356 300 S HA -0.076 4.397 4.470 0.006 0.000 0.223 300 S C 2.360 176.916 174.600 -0.073 0.000 1.032 300 S CA 1.249 59.324 58.200 -0.209 0.000 1.005 300 S CB -0.555 62.386 63.200 -0.431 0.000 0.867 300 S HN 0.797 nan 8.310 nan 0.000 0.449 301 A N 1.748 124.541 122.820 -0.045 0.000 1.892 301 A HA -0.046 4.277 4.320 0.006 0.000 0.218 301 A C 2.372 180.027 177.584 0.118 0.000 1.188 301 A CA 2.004 54.082 52.037 0.069 0.000 0.631 301 A CB -1.213 17.827 19.000 0.067 0.000 0.822 301 A HN 0.548 nan 8.150 nan 0.000 0.447 302 A N -1.307 121.599 122.820 0.144 0.000 1.969 302 A HA -0.127 4.197 4.320 0.006 0.000 0.218 302 A C 2.286 179.915 177.584 0.075 0.000 1.169 302 A CA 1.585 53.590 52.037 -0.053 0.000 0.635 302 A CB -1.225 17.448 19.000 -0.544 0.000 0.810 302 A HN 0.618 nan 8.150 nan 0.000 0.445 303 C N -0.831 118.598 119.300 0.215 0.000 2.429 303 C HA -0.100 4.364 4.460 0.006 0.000 0.277 303 C C 2.882 177.888 174.990 0.027 0.000 1.262 303 C CA 1.169 60.323 59.018 0.227 0.000 1.733 303 C CB -1.313 26.514 27.740 0.146 0.000 2.010 303 C HN 0.619 nan 8.230 nan 0.000 0.483 304 R N 1.115 121.547 120.500 -0.114 0.000 2.081 304 R HA -0.080 4.263 4.340 0.006 0.000 0.235 304 R C 2.444 178.479 176.300 -0.441 0.000 1.131 304 R CA 1.559 57.474 56.100 -0.309 0.000 0.960 304 R CB -0.566 29.451 30.300 -0.472 0.000 0.856 304 R HN 0.534 nan 8.270 nan 0.000 0.436 305 A N 1.451 124.002 122.820 -0.449 0.000 1.908 305 A HA -0.149 4.175 4.320 0.006 0.000 0.218 305 A C 2.271 179.823 177.584 -0.054 0.000 1.181 305 A CA 1.883 53.808 52.037 -0.187 0.000 0.627 305 A CB -0.631 18.343 19.000 -0.044 0.000 0.818 305 A HN 0.412 nan 8.150 nan 0.000 0.445 306 A N -1.204 121.611 122.820 -0.008 0.000 2.238 306 A HA 0.223 4.547 4.320 0.006 0.000 0.208 306 A C 0.976 178.573 177.584 0.022 0.000 1.177 306 A CA 0.866 52.926 52.037 0.038 0.000 0.804 306 A CB -0.508 18.568 19.000 0.127 0.000 0.823 306 A HN 0.567 nan 8.150 nan 0.000 0.482 307 K N -0.789 119.608 120.400 -0.005 0.000 3.069 307 K HA -0.168 4.155 4.320 0.006 0.000 0.267 307 K C -0.552 176.053 176.600 0.009 0.000 1.082 307 K CA 0.481 56.766 56.287 -0.004 0.000 0.782 307 K CB -2.316 30.188 32.500 0.007 0.000 1.230 307 K HN 0.524 nan 8.250 nan 0.000 0.488 308 L N 1.125 122.362 121.223 0.024 0.000 2.485 308 L HA -0.002 4.341 4.340 0.006 0.000 0.275 308 L C 0.833 177.710 176.870 0.011 0.000 1.207 308 L CA 0.283 55.140 54.840 0.027 0.000 0.855 308 L CB 0.257 42.352 42.059 0.059 0.000 1.114 308 L HN 0.166 nan 8.230 nan 0.000 0.485 309 Q N 1.851 121.651 119.800 0.001 0.000 2.290 309 Q HA 0.162 4.506 4.340 0.006 0.000 0.259 309 Q C -0.486 175.502 176.000 -0.020 0.000 0.941 309 Q CA -0.258 55.539 55.803 -0.009 0.000 0.912 309 Q CB 1.104 29.835 28.738 -0.013 0.000 1.244 309 Q HN 0.452 nan 8.270 nan 0.000 0.441 310 D N 1.470 121.859 120.400 -0.018 0.000 2.737 310 D HA -0.194 4.449 4.640 0.006 0.000 0.238 310 D C -1.234 175.047 176.300 -0.032 0.000 1.157 310 D CA 0.245 54.230 54.000 -0.025 0.000 0.694 310 D CB -0.856 39.921 40.800 -0.038 0.000 1.021 310 D HN 0.547 nan 8.370 nan 0.000 0.420 311 C N 0.910 120.198 119.300 -0.020 0.000 2.644 311 C HA 0.529 4.992 4.460 0.006 0.000 0.417 311 C C 0.922 175.902 174.990 -0.017 0.000 1.304 311 C CA -0.089 58.914 59.018 -0.026 0.000 2.035 311 C CB 0.684 28.416 27.740 -0.014 0.000 2.673 311 C HN 0.495 nan 8.230 nan 0.000 0.602 312 T N 5.454 119.989 114.554 -0.031 0.000 2.840 312 T HA 0.465 4.819 4.350 0.006 0.000 0.287 312 T C -0.374 174.334 174.700 0.014 0.000 0.991 312 T CA -0.271 61.839 62.100 0.017 0.000 0.964 312 T CB 0.895 69.749 68.868 -0.022 0.000 0.954 312 T HN 0.524 nan 8.240 nan 0.000 0.438 313 M N 3.191 122.842 119.600 0.085 0.000 2.472 313 M HA 0.614 5.098 4.480 0.006 0.000 0.331 313 M C -1.136 175.275 176.300 0.185 0.000 1.170 313 M CA -1.088 54.255 55.300 0.071 0.000 1.009 313 M CB 1.892 34.523 32.600 0.052 0.000 1.672 313 M HN 0.353 nan 8.290 nan 0.000 0.453 314 L N 3.072 124.367 121.223 0.120 0.000 2.406 314 L HA 0.652 4.995 4.340 0.006 0.000 0.272 314 L C -1.519 175.357 176.870 0.010 0.000 0.980 314 L CA -0.455 54.457 54.840 0.120 0.000 0.831 314 L CB 1.800 43.969 42.059 0.183 0.000 1.253 314 L HN 0.478 nan 8.230 nan 0.000 0.406 315 V N 4.411 124.305 119.914 -0.033 0.000 2.483 315 V HA 0.562 4.685 4.120 0.006 0.000 0.297 315 V C -0.791 175.124 176.094 -0.299 0.000 1.027 315 V CA -0.599 61.662 62.300 -0.065 0.000 0.855 315 V CB 1.821 33.699 31.823 0.092 0.000 0.995 315 V HN 0.792 nan 8.190 nan 0.000 0.424 316 N N 3.792 122.244 118.700 -0.414 0.000 2.623 316 N HA 0.617 5.360 4.740 0.006 0.000 0.256 316 N C 0.667 175.968 175.510 -0.349 0.000 1.045 316 N CA 0.549 53.053 53.050 -0.910 0.000 0.863 316 N CB 1.769 39.572 38.487 -1.140 0.000 1.182 316 N HN 0.992 nan 8.380 nan 0.000 0.523 317 G N 2.621 111.423 108.800 0.004 0.000 2.660 317 G HA2 -0.425 3.539 3.960 0.006 0.000 0.321 317 G HA3 -0.425 3.539 3.960 0.006 0.000 0.321 317 G C 0.581 175.320 174.900 -0.269 0.000 1.246 317 G CA 1.016 46.123 45.100 0.013 0.000 1.000 317 G HN 0.653 nan 8.290 nan 0.000 0.550 318 D N 1.159 121.328 120.400 -0.385 0.000 2.340 318 D HA 0.133 4.777 4.640 0.006 0.000 0.220 318 D C 0.440 176.630 176.300 -0.183 0.000 1.039 318 D CA 0.801 54.429 54.000 -0.619 0.000 0.866 318 D CB -0.067 40.383 40.800 -0.584 0.000 0.913 318 D HN 0.415 nan 8.370 nan 0.000 0.523 319 D N 0.614 120.947 120.400 -0.112 0.000 2.280 319 D HA 0.295 4.939 4.640 0.006 0.000 0.243 319 D C -1.031 175.251 176.300 -0.031 0.000 1.129 319 D CA -0.585 53.391 54.000 -0.040 0.000 0.848 319 D CB 1.118 41.881 40.800 -0.060 0.000 1.107 319 D HN 0.057 nan 8.370 nan 0.000 0.471 320 L N 5.205 126.456 121.223 0.047 0.000 2.381 320 L HA 0.517 4.861 4.340 0.006 0.000 0.274 320 L C -1.713 175.154 176.870 -0.006 0.000 0.988 320 L CA -0.679 54.192 54.840 0.051 0.000 0.824 320 L CB 1.869 44.032 42.059 0.173 0.000 1.263 320 L HN 0.147 nan 8.230 nan 0.000 0.410 321 V N 5.957 125.822 119.914 -0.082 0.000 2.735 321 V HA 0.801 4.925 4.120 0.006 0.000 0.310 321 V C -1.355 174.558 176.094 -0.303 0.000 1.061 321 V CA -0.364 61.823 62.300 -0.187 0.000 0.913 321 V CB 2.379 34.132 31.823 -0.117 0.000 1.005 321 V HN 0.601 nan 8.190 nan 0.000 0.428 322 V N 7.469 127.009 119.914 -0.625 0.000 2.588 322 V HA 0.584 4.708 4.120 0.006 0.000 0.304 322 V C -0.380 175.460 176.094 -0.424 0.000 1.042 322 V CA -0.478 61.456 62.300 -0.609 0.000 0.877 322 V CB 1.811 33.044 31.823 -0.983 0.000 0.996 322 V HN 0.750 nan 8.190 nan 0.000 0.425 323 I N 4.869 125.319 120.570 -0.199 0.000 2.433 323 I HA 0.736 4.910 4.170 0.006 0.000 0.292 323 I C -0.005 176.045 176.117 -0.112 0.000 1.001 323 I CA -0.334 60.909 61.300 -0.096 0.000 1.119 323 I CB 1.634 39.621 38.000 -0.021 0.000 1.289 323 I HN 0.906 nan 8.210 nan 0.000 0.438 324 C N 2.560 121.794 119.300 -0.110 0.000 3.292 324 C HA 0.556 5.019 4.460 0.006 0.000 0.369 324 C C -0.794 174.122 174.990 -0.124 0.000 1.664 324 C CA -0.880 58.083 59.018 -0.093 0.000 1.204 324 C CB 1.862 29.584 27.740 -0.031 0.000 1.978 324 C HN 0.637 nan 8.230 nan 0.000 0.435 325 E N 1.730 121.878 120.200 -0.086 0.000 2.229 325 E HA 0.336 4.690 4.350 0.006 0.000 0.283 325 E C -0.057 176.519 176.600 -0.039 0.000 1.030 325 E CA 0.402 56.751 56.400 -0.085 0.000 0.836 325 E CB 1.777 31.438 29.700 -0.065 0.000 1.068 325 E HN 0.681 nan 8.360 nan 0.000 0.401 326 S N 1.530 117.218 115.700 -0.020 0.000 2.562 326 S HA 0.243 4.717 4.470 0.006 0.000 0.281 326 S C 0.538 175.158 174.600 0.032 0.000 1.333 326 S CA 0.000 58.237 58.200 0.062 0.000 1.052 326 S CB 0.554 63.845 63.200 0.152 0.000 0.884 326 S HN 0.542 nan 8.310 nan 0.000 0.506 327 A N 3.416 126.262 122.820 0.043 0.000 2.500 327 A HA 0.620 4.944 4.320 0.006 0.000 0.267 327 A C 0.892 178.485 177.584 0.013 0.000 1.290 327 A CA 0.223 52.271 52.037 0.018 0.000 0.928 327 A CB -0.990 18.018 19.000 0.013 0.000 1.066 327 A HN 1.809 nan 8.150 nan 0.000 0.516 328 G N -1.203 107.607 108.800 0.016 0.000 2.785 328 G HA2 0.003 3.967 3.960 0.006 0.000 0.686 328 G HA3 0.003 3.967 3.960 0.006 0.000 0.686 328 G C 0.583 175.488 174.900 0.008 0.000 1.155 328 G CA 0.264 45.355 45.100 -0.015 0.000 0.760 328 G HN 1.248 nan 8.290 nan 0.000 0.624 329 T N -1.052 113.474 114.554 -0.046 0.000 2.821 329 T HA -0.126 4.228 4.350 0.006 0.000 0.267 329 T C 2.112 176.845 174.700 0.056 0.000 1.046 329 T CA 2.297 64.403 62.100 0.010 0.000 1.139 329 T CB -0.191 68.574 68.868 -0.172 0.000 0.871 329 T HN 0.600 nan 8.240 nan 0.000 0.454 330 Q N 0.520 120.328 119.800 0.014 0.000 2.061 330 Q HA -0.126 4.218 4.340 0.006 0.000 0.204 330 Q C 2.335 178.346 176.000 0.017 0.000 0.984 330 Q CA 1.999 57.810 55.803 0.014 0.000 0.846 330 Q CB -0.422 28.317 28.738 0.000 0.000 0.902 330 Q HN 0.631 nan 8.270 nan 0.000 0.421 331 E N 1.198 121.408 120.200 0.016 0.000 2.031 331 E HA -0.165 4.188 4.350 0.006 0.000 0.193 331 E C 1.537 178.146 176.600 0.015 0.000 0.994 331 E CA 1.340 57.748 56.400 0.012 0.000 0.800 331 E CB -0.113 29.593 29.700 0.010 0.000 0.752 331 E HN 0.212 nan 8.360 nan 0.000 0.447 332 D N 0.046 120.469 120.400 0.039 0.000 2.157 332 D HA -0.268 4.376 4.640 0.006 0.000 0.191 332 D C 1.737 178.027 176.300 -0.016 0.000 1.004 332 D CA 1.845 55.864 54.000 0.031 0.000 0.854 332 D CB -0.578 40.296 40.800 0.124 0.000 0.936 332 D HN 0.344 nan 8.370 nan 0.000 0.446 333 A N 0.639 123.465 122.820 0.010 0.000 1.969 333 A HA 0.022 4.346 4.320 0.006 0.000 0.218 333 A C 2.304 179.873 177.584 -0.025 0.000 1.169 333 A CA 2.113 54.142 52.037 -0.013 0.000 0.635 333 A CB -0.537 18.470 19.000 0.012 0.000 0.810 333 A HN 0.259 nan 8.150 nan 0.000 0.445 334 A N -0.653 122.159 122.820 -0.013 0.000 1.898 334 A HA -0.023 4.301 4.320 0.006 0.000 0.216 334 A C 2.421 179.995 177.584 -0.017 0.000 1.181 334 A CA 1.852 53.882 52.037 -0.011 0.000 0.620 334 A CB -0.902 18.096 19.000 -0.004 0.000 0.819 334 A HN 0.421 nan 8.150 nan 0.000 0.442 335 S N 0.046 115.731 115.700 -0.025 0.000 2.365 335 S HA -0.171 4.303 4.470 0.006 0.000 0.225 335 S C 1.821 176.394 174.600 -0.045 0.000 1.039 335 S CA 1.681 59.863 58.200 -0.029 0.000 1.033 335 S CB -0.506 62.671 63.200 -0.039 0.000 0.887 335 S HN 0.511 nan 8.310 nan 0.000 0.447 336 L N 0.690 121.837 121.223 -0.126 0.000 2.093 336 L HA -0.079 4.264 4.340 0.006 0.000 0.208 336 L C 2.693 179.557 176.870 -0.010 0.000 1.085 336 L CA 1.097 55.830 54.840 -0.179 0.000 0.755 336 L CB -0.461 41.406 42.059 -0.319 0.000 0.904 336 L HN 0.250 nan 8.230 nan 0.000 0.435 337 R N -0.527 119.967 120.500 -0.011 0.000 2.091 337 R HA -0.134 4.209 4.340 0.006 0.000 0.238 337 R C 2.221 178.533 176.300 0.021 0.000 1.136 337 R CA 1.277 57.385 56.100 0.013 0.000 0.959 337 R CB -0.439 29.861 30.300 -0.000 0.000 0.856 337 R HN 0.208 nan 8.270 nan 0.000 0.437 338 V N 0.582 120.507 119.914 0.018 0.000 2.283 338 V HA -0.222 3.902 4.120 0.006 0.000 0.243 338 V C 1.930 178.030 176.094 0.011 0.000 1.039 338 V CA 1.618 63.921 62.300 0.006 0.000 1.016 338 V CB -0.615 31.213 31.823 0.008 0.000 0.650 338 V HN 0.190 nan 8.190 nan 0.000 0.449 339 F N 1.618 121.512 119.950 -0.095 0.000 2.085 339 F HA -0.324 4.207 4.527 0.006 0.000 0.299 339 F C 2.399 178.130 175.800 -0.115 0.000 1.096 339 F CA 2.598 60.535 58.000 -0.106 0.000 1.227 339 F CB -0.551 38.376 39.000 -0.121 0.000 0.983 339 F HN 0.142 nan 8.300 nan 0.000 0.482 340 T N -0.487 114.123 114.554 0.094 0.000 2.857 340 T HA -0.149 4.204 4.350 0.006 0.000 0.266 340 T C 1.698 176.361 174.700 -0.062 0.000 1.048 340 T CA 1.472 63.621 62.100 0.082 0.000 1.139 340 T CB -0.282 68.733 68.868 0.246 0.000 0.874 340 T HN 0.366 nan 8.240 nan 0.000 0.455 341 E N 1.006 121.160 120.200 -0.076 0.000 2.077 341 E HA -0.076 4.278 4.350 0.006 0.000 0.193 341 E C 2.499 178.957 176.600 -0.237 0.000 0.989 341 E CA 0.995 57.325 56.400 -0.116 0.000 0.800 341 E CB -0.203 29.446 29.700 -0.086 0.000 0.746 341 E HN 0.470 nan 8.360 nan 0.000 0.452 342 A N 1.273 123.894 122.820 -0.332 0.000 1.845 342 A HA -0.230 4.093 4.320 0.006 0.000 0.215 342 A C 2.149 179.255 177.584 -0.797 0.000 1.195 342 A CA 1.553 53.241 52.037 -0.582 0.000 0.616 342 A CB -0.467 18.240 19.000 -0.487 0.000 0.832 342 A HN 0.136 nan 8.150 nan 0.000 0.443 343 M N -0.147 119.078 119.600 -0.625 0.000 2.116 343 M HA -0.173 4.311 4.480 0.006 0.000 0.255 343 M C 2.157 178.339 176.300 -0.196 0.000 1.075 343 M CA 2.317 57.379 55.300 -0.398 0.000 1.087 343 M CB -2.119 30.148 32.600 -0.554 0.000 1.340 343 M HN 0.495 nan 8.290 nan 0.000 0.402 344 T N -0.394 114.057 114.554 -0.172 0.000 2.821 344 T HA -0.078 4.276 4.350 0.006 0.000 0.267 344 T C 1.992 176.625 174.700 -0.112 0.000 1.046 344 T CA 0.970 63.022 62.100 -0.080 0.000 1.139 344 T CB -0.157 68.679 68.868 -0.053 0.000 0.871 344 T HN 0.371 nan 8.240 nan 0.000 0.454 345 R N 0.097 120.465 120.500 -0.220 0.000 2.105 345 R HA -0.076 4.268 4.340 0.006 0.000 0.239 345 R C 1.783 178.022 176.300 -0.103 0.000 1.135 345 R CA 1.203 57.181 56.100 -0.203 0.000 0.967 345 R CB -0.306 29.808 30.300 -0.309 0.000 0.861 345 R HN 0.422 nan 8.270 nan 0.000 0.442 346 Y N 0.168 120.401 120.300 -0.113 0.000 2.632 346 Y HA 0.047 4.600 4.550 0.006 0.000 0.301 346 Y C 0.903 176.740 175.900 -0.104 0.000 1.172 346 Y CA -0.137 57.885 58.100 -0.131 0.000 1.328 346 Y CB -0.437 37.969 38.460 -0.090 0.000 1.016 346 Y HN -0.050 nan 8.280 nan 0.000 0.529 347 S N -0.164 115.565 115.700 0.048 0.000 3.866 347 S HA -0.066 4.408 4.470 0.006 0.000 0.427 347 S C -0.033 174.580 174.600 0.022 0.000 0.891 347 S CA 0.446 58.665 58.200 0.031 0.000 1.275 347 S CB -1.391 61.814 63.200 0.008 0.000 0.872 347 S HN 0.726 nan 8.310 nan 0.000 0.562 348 A N 2.336 125.188 122.820 0.053 0.000 3.474 348 A HA 0.568 4.892 4.320 0.006 0.000 0.251 348 A C -2.502 175.200 177.584 0.196 0.000 1.062 348 A CA -0.720 51.376 52.037 0.098 0.000 0.945 348 A CB 0.842 19.924 19.000 0.136 0.000 1.296 348 A HN 0.424 nan 8.150 nan 0.000 0.592 349 P HA 0.329 nan 4.420 nan 0.000 0.272 349 P C -2.921 174.455 177.300 0.127 0.000 1.223 349 P CA -1.077 62.087 63.100 0.107 0.000 0.784 349 P CB 0.425 32.117 31.700 -0.013 0.000 0.923 350 P HA 0.137 nan 4.420 nan 0.000 0.282 350 P C 0.660 177.890 177.300 -0.116 0.000 1.249 350 P CA 0.012 63.019 63.100 -0.157 0.000 0.806 350 P CB 1.016 32.617 31.700 -0.165 0.000 0.984 351 G N 1.984 110.700 108.800 -0.140 0.000 2.624 351 G HA2 -0.006 3.958 3.960 0.006 0.000 0.216 351 G HA3 -0.006 3.958 3.960 0.006 0.000 0.216 351 G C -0.039 174.814 174.900 -0.078 0.000 1.274 351 G CA 0.159 45.213 45.100 -0.076 0.000 0.856 351 G HN 0.480 nan 8.290 nan 0.000 0.555 352 D N 2.458 122.806 120.400 -0.086 0.000 2.295 352 D HA 0.264 4.907 4.640 0.006 0.000 0.248 352 D C -2.186 174.062 176.300 -0.086 0.000 1.154 352 D CA -0.944 53.018 54.000 -0.065 0.000 0.857 352 D CB 1.598 42.372 40.800 -0.043 0.000 1.117 352 D HN 0.084 nan 8.370 nan 0.000 0.468 353 P HA 0.048 nan 4.420 nan 0.000 0.262 353 P C -2.371 174.920 177.300 -0.014 0.000 1.182 353 P CA -0.855 62.227 63.100 -0.030 0.000 0.761 353 P CB -0.292 31.403 31.700 -0.008 0.000 0.795 354 P HA 0.059 nan 4.420 nan 0.000 0.268 354 P C -0.625 176.669 177.300 -0.011 0.000 1.205 354 P CA 0.222 63.358 63.100 0.060 0.000 0.771 354 P CB 0.514 32.296 31.700 0.138 0.000 0.858 355 Q N 2.808 122.618 119.800 0.018 0.000 2.356 355 Q HA 0.625 4.969 4.340 0.006 0.000 0.270 355 Q C -2.762 173.233 176.000 -0.008 0.000 1.058 355 Q CA -2.464 53.335 55.803 -0.007 0.000 0.802 355 Q CB 1.760 30.508 28.738 0.017 0.000 1.303 355 Q HN 0.246 nan 8.270 nan 0.000 0.444 356 P HA 0.129 nan 4.420 nan 0.000 0.271 356 P C -0.913 176.245 177.300 -0.236 0.000 1.216 356 P CA 0.027 63.035 63.100 -0.154 0.000 0.776 356 P CB 1.038 32.657 31.700 -0.135 0.000 0.881 357 E N 1.399 121.362 120.200 -0.396 0.000 2.292 357 E HA 0.331 4.684 4.350 0.006 0.000 0.272 357 E C -1.256 175.156 176.600 -0.314 0.000 0.881 357 E CA -0.615 55.661 56.400 -0.207 0.000 0.754 357 E CB 0.887 30.562 29.700 -0.043 0.000 1.201 357 E HN 0.324 nan 8.360 nan 0.000 0.425 358 Y N 0.896 121.336 120.300 0.232 0.000 2.500 358 Y HA 0.344 4.898 4.550 0.006 0.000 0.246 358 Y C 0.157 176.297 175.900 0.400 0.000 1.146 358 Y CA -0.521 57.791 58.100 0.354 0.000 1.230 358 Y CB 1.074 39.644 38.460 0.183 0.000 1.214 358 Y HN 0.312 nan 8.280 nan 0.000 0.526 359 D N 0.763 121.304 120.400 0.235 0.000 2.408 359 D HA 0.115 4.759 4.640 0.006 0.000 0.243 359 D C 0.638 176.714 176.300 -0.372 0.000 1.075 359 D CA -0.250 53.759 54.000 0.014 0.000 0.832 359 D CB 2.093 42.909 40.800 0.027 0.000 1.162 359 D HN 0.160 nan 8.370 nan 0.000 0.515 360 L N 4.482 125.213 121.223 -0.821 0.000 2.141 360 L HA -0.024 4.320 4.340 0.006 0.000 0.209 360 L C 1.601 178.142 176.870 -0.548 0.000 1.094 360 L CA 1.742 55.887 54.840 -1.158 0.000 0.763 360 L CB -0.260 40.847 42.059 -1.587 0.000 0.908 360 L HN 0.468 nan 8.230 nan 0.000 0.437 361 E N -0.514 119.475 120.200 -0.352 0.000 2.338 361 E HA -0.132 4.222 4.350 0.006 0.000 0.197 361 E C 1.816 178.322 176.600 -0.157 0.000 1.007 361 E CA 0.787 57.061 56.400 -0.209 0.000 0.849 361 E CB -0.128 29.495 29.700 -0.127 0.000 0.774 361 E HN 0.534 nan 8.360 nan 0.000 0.506 362 L N 0.859 121.988 121.223 -0.157 0.000 2.607 362 L HA 0.209 4.552 4.340 0.006 0.000 0.228 362 L C 0.650 177.464 176.870 -0.093 0.000 1.123 362 L CA -0.173 54.611 54.840 -0.093 0.000 0.890 362 L CB 0.310 42.341 42.059 -0.048 0.000 1.103 362 L HN 0.003 nan 8.230 nan 0.000 0.468 363 I N 0.058 120.541 120.570 -0.145 0.000 2.352 363 I HA 0.089 4.263 4.170 0.006 0.000 0.290 363 I C 0.136 176.203 176.117 -0.084 0.000 1.036 363 I CA 0.161 61.394 61.300 -0.111 0.000 1.336 363 I CB 1.289 39.196 38.000 -0.155 0.000 1.407 363 I HN -0.075 nan 8.210 nan 0.000 0.497 364 T N 5.356 119.883 114.554 -0.044 0.000 2.767 364 T HA 0.460 4.814 4.350 0.006 0.000 0.284 364 T C -0.206 174.487 174.700 -0.012 0.000 0.973 364 T CA -0.566 61.521 62.100 -0.022 0.000 0.996 364 T CB 0.853 69.716 68.868 -0.008 0.000 0.927 364 T HN 0.741 nan 8.240 nan 0.000 0.456 365 S N 0.770 116.466 115.700 -0.007 0.000 2.546 365 S HA 0.398 4.871 4.470 0.006 0.000 0.274 365 S C 0.122 174.735 174.600 0.021 0.000 1.121 365 S CA -0.887 57.311 58.200 -0.002 0.000 0.887 365 S CB 0.631 63.813 63.200 -0.030 0.000 1.094 365 S HN 0.875 nan 8.310 nan 0.000 0.474 366 C N 1.886 121.200 119.300 0.024 0.000 3.989 366 C HA -0.161 4.303 4.460 0.006 0.000 0.297 366 C C 1.438 176.498 174.990 0.118 0.000 1.435 366 C CA 0.808 59.865 59.018 0.064 0.000 2.040 366 C CB -3.314 24.458 27.740 0.053 0.000 1.308 366 C HN 1.590 nan 8.230 nan 0.000 0.704 367 S N -1.939 113.816 115.700 0.091 0.000 3.270 367 S HA -0.194 4.280 4.470 0.006 0.000 0.293 367 S C 0.303 174.964 174.600 0.101 0.000 1.278 367 S CA 1.317 59.573 58.200 0.094 0.000 1.038 367 S CB -0.821 62.450 63.200 0.119 0.000 1.218 367 S HN 1.009 nan 8.310 nan 0.000 0.659 368 S N 1.672 117.436 115.700 0.107 0.000 2.632 368 S HA 0.756 5.229 4.470 0.006 0.000 0.289 368 S C -0.501 174.129 174.600 0.051 0.000 1.115 368 S CA -0.906 57.377 58.200 0.139 0.000 0.889 368 S CB 1.848 65.196 63.200 0.247 0.000 1.116 368 S HN 0.582 nan 8.310 nan 0.000 0.486 369 N N -0.567 118.150 118.700 0.028 0.000 2.329 369 N HA 0.419 5.162 4.740 0.006 0.000 0.282 369 N C -1.400 174.052 175.510 -0.098 0.000 1.198 369 N CA -0.584 52.435 53.050 -0.052 0.000 0.790 369 N CB 1.138 39.586 38.487 -0.065 0.000 1.579 369 N HN 0.324 nan 8.380 nan 0.000 0.475 370 V N 0.644 120.467 119.914 -0.151 0.000 2.715 370 V HA 0.335 4.459 4.120 0.006 0.000 0.299 370 V C 0.584 176.548 176.094 -0.218 0.000 1.054 370 V CA 0.239 62.424 62.300 -0.192 0.000 1.077 370 V CB 0.928 32.633 31.823 -0.198 0.000 0.972 370 V HN 0.865 nan 8.190 nan 0.000 0.484 371 S N 2.507 117.998 115.700 -0.347 0.000 2.705 371 S HA 0.764 5.238 4.470 0.006 0.000 0.280 371 S C -1.389 173.062 174.600 -0.248 0.000 1.174 371 S CA -0.408 57.606 58.200 -0.308 0.000 0.823 371 S CB 2.028 65.007 63.200 -0.367 0.000 1.162 371 S HN 0.748 nan 8.310 nan 0.000 0.487 372 V N 1.224 121.107 119.914 -0.052 0.000 2.709 372 V HA 0.972 5.096 4.120 0.006 0.000 0.308 372 V C -0.236 175.856 176.094 -0.004 0.000 1.062 372 V CA 0.315 62.546 62.300 -0.116 0.000 0.901 372 V CB 1.040 32.684 31.823 -0.299 0.000 1.003 372 V HN 1.297 nan 8.190 nan 0.000 0.425 373 A N 5.093 127.796 122.820 -0.194 0.000 2.539 373 A HA 0.901 5.224 4.320 0.006 0.000 0.272 373 A C -1.172 175.998 177.584 -0.692 0.000 1.286 373 A CA -0.590 51.142 52.037 -0.507 0.000 0.792 373 A CB 1.669 20.151 19.000 -0.864 0.000 1.355 373 A HN 0.921 nan 8.150 nan 0.000 0.472 374 H N 0.383 119.126 119.070 -0.546 0.000 2.600 374 H HA 0.382 4.942 4.556 0.006 0.000 0.357 374 H C -1.067 173.994 175.328 -0.444 0.000 1.106 374 H CA -0.319 55.444 56.048 -0.475 0.000 1.193 374 H CB 1.825 31.253 29.762 -0.556 0.000 1.594 374 H HN 0.918 nan 8.280 nan 0.000 0.526 375 D N 0.805 121.148 120.400 -0.095 0.000 2.447 375 D HA 0.180 4.823 4.640 0.006 0.000 0.265 375 D C 1.363 177.736 176.300 0.121 0.000 1.250 375 D CA -0.175 53.816 54.000 -0.015 0.000 1.046 375 D CB 0.466 41.257 40.800 -0.015 0.000 1.095 375 D HN 0.429 nan 8.370 nan 0.000 0.555 376 A N -0.001 122.891 122.820 0.120 0.000 1.892 376 A HA -0.209 4.114 4.320 0.006 0.000 0.218 376 A C 2.113 179.759 177.584 0.103 0.000 1.188 376 A CA 3.007 55.117 52.037 0.122 0.000 0.631 376 A CB -1.428 17.613 19.000 0.069 0.000 0.822 376 A HN 0.710 nan 8.150 nan 0.000 0.447 377 S N -2.099 113.642 115.700 0.069 0.000 2.561 377 S HA 0.342 4.816 4.470 0.006 0.000 0.225 377 S C 1.469 176.094 174.600 0.042 0.000 0.977 377 S CA 1.175 59.402 58.200 0.045 0.000 0.926 377 S CB -0.245 62.973 63.200 0.031 0.000 0.769 377 S HN 2.037 nan 8.310 nan 0.000 0.533 378 G N 1.019 109.857 108.800 0.064 0.000 2.194 378 G HA2 -0.283 3.681 3.960 0.006 0.000 0.236 378 G HA3 -0.283 3.681 3.960 0.006 0.000 0.236 378 G C 0.002 174.937 174.900 0.058 0.000 0.987 378 G CA 0.079 45.177 45.100 -0.003 0.000 0.635 378 G HN 0.766 nan 8.290 nan 0.000 0.520 379 K N 1.478 121.920 120.400 0.070 0.000 2.447 379 K HA 0.328 4.652 4.320 0.006 0.000 0.281 379 K C 0.919 177.566 176.600 0.078 0.000 1.031 379 K CA -0.420 55.907 56.287 0.067 0.000 1.019 379 K CB 0.208 32.721 32.500 0.022 0.000 0.918 379 K HN 0.359 nan 8.250 nan 0.000 0.476 380 R N 2.122 122.637 120.500 0.025 0.000 2.585 380 R HA 0.081 4.425 4.340 0.006 0.000 0.275 380 R C -0.735 175.379 176.300 -0.310 0.000 1.018 380 R CA -0.042 55.886 56.100 -0.288 0.000 1.072 380 R CB 0.674 30.798 30.300 -0.293 0.000 0.953 380 R HN 0.298 nan 8.270 nan 0.000 0.419 381 V N 4.527 124.191 119.914 -0.417 0.000 2.668 381 V HA 0.211 4.335 4.120 0.006 0.000 0.304 381 V C -1.208 174.722 176.094 -0.275 0.000 1.071 381 V CA -0.830 61.311 62.300 -0.265 0.000 0.894 381 V CB 1.625 33.361 31.823 -0.144 0.000 1.008 381 V HN 0.574 nan 8.190 nan 0.000 0.425 382 Y N 5.554 125.859 120.300 0.009 0.000 2.309 382 Y HA 0.627 5.181 4.550 0.006 0.000 0.327 382 Y C 0.053 176.019 175.900 0.110 0.000 1.172 382 Y CA -0.052 58.054 58.100 0.009 0.000 1.280 382 Y CB 1.059 39.484 38.460 -0.057 0.000 1.234 382 Y HN 0.709 nan 8.280 nan 0.000 0.512 383 Y N 0.388 120.749 120.300 0.101 0.000 2.638 383 Y HA 0.665 5.219 4.550 0.006 0.000 0.335 383 Y C -2.280 173.673 175.900 0.089 0.000 1.155 383 Y CA -2.016 56.123 58.100 0.064 0.000 1.046 383 Y CB 0.700 39.167 38.460 0.012 0.000 1.303 383 Y HN 0.457 nan 8.280 nan 0.000 0.460 384 L N 2.184 123.435 121.223 0.047 0.000 2.289 384 L HA 0.750 5.093 4.340 0.006 0.000 0.285 384 L C -0.024 176.996 176.870 0.249 0.000 1.049 384 L CA 0.320 55.181 54.840 0.035 0.000 0.804 384 L CB 1.457 43.567 42.059 0.085 0.000 1.195 384 L HN 1.024 nan 8.230 nan 0.000 0.428 385 T N 4.282 118.947 114.554 0.185 0.000 2.742 385 T HA 0.853 5.206 4.350 0.006 0.000 0.282 385 T C -1.106 173.750 174.700 0.260 0.000 1.025 385 T CA -0.639 61.678 62.100 0.363 0.000 1.020 385 T CB 1.152 70.210 68.868 0.317 0.000 1.317 385 T HN 0.820 nan 8.240 nan 0.000 0.538 386 R N 0.428 121.016 120.500 0.148 0.000 2.733 386 R HA 0.461 4.805 4.340 0.006 0.000 0.272 386 R C -1.365 174.796 176.300 -0.231 0.000 1.029 386 R CA -0.998 55.067 56.100 -0.059 0.000 0.888 386 R CB 0.453 30.656 30.300 -0.162 0.000 1.251 386 R HN 0.532 nan 8.270 nan 0.000 0.464 387 D N 1.973 122.230 120.400 -0.239 0.000 2.487 387 D HA 0.015 4.659 4.640 0.006 0.000 0.243 387 D C -1.345 174.590 176.300 -0.608 0.000 1.154 387 D CA -0.946 52.853 54.000 -0.334 0.000 0.876 387 D CB 1.188 41.872 40.800 -0.193 0.000 1.161 387 D HN 0.356 nan 8.370 nan 0.000 0.478 388 P HA 0.012 nan 4.420 nan 0.000 0.255 388 P C 1.077 178.037 177.300 -0.567 0.000 1.248 388 P CA 0.085 62.483 63.100 -1.170 0.000 0.807 388 P CB 0.390 31.297 31.700 -1.322 0.000 1.150 389 T N -0.090 114.259 114.554 -0.341 0.000 2.674 389 T HA -0.110 4.244 4.350 0.006 0.000 0.265 389 T C 1.796 176.427 174.700 -0.115 0.000 1.039 389 T CA 2.281 64.282 62.100 -0.164 0.000 1.150 389 T CB -1.051 67.767 68.868 -0.084 0.000 0.864 389 T HN 0.186 nan 8.240 nan 0.000 0.427 390 T N 2.227 116.715 114.554 -0.109 0.000 2.777 390 T HA -0.043 4.310 4.350 0.006 0.000 0.266 390 T C -0.580 174.074 174.700 -0.077 0.000 1.040 390 T CA 1.077 63.142 62.100 -0.058 0.000 1.141 390 T CB -1.189 67.676 68.868 -0.006 0.000 0.868 390 T HN 0.318 nan 8.240 nan 0.000 0.444 391 P HA -0.003 nan 4.420 nan 0.000 0.215 391 P C 1.487 178.806 177.300 0.031 0.000 1.153 391 P CA 0.938 64.014 63.100 -0.041 0.000 0.853 391 P CB -0.195 31.423 31.700 -0.136 0.000 0.788 392 L N -1.489 119.708 121.223 -0.044 0.000 2.141 392 L HA -0.122 4.222 4.340 0.006 0.000 0.209 392 L C 2.450 179.361 176.870 0.068 0.000 1.094 392 L CA 1.325 56.176 54.840 0.018 0.000 0.763 392 L CB -1.109 40.922 42.059 -0.048 0.000 0.908 392 L HN -0.056 nan 8.230 nan 0.000 0.437 393 A N 0.346 123.197 122.820 0.051 0.000 1.877 393 A HA -0.199 4.124 4.320 0.006 0.000 0.216 393 A C 2.405 180.074 177.584 0.142 0.000 1.186 393 A CA 1.481 53.575 52.037 0.095 0.000 0.620 393 A CB -0.426 18.610 19.000 0.061 0.000 0.822 393 A HN 0.309 nan 8.150 nan 0.000 0.443 394 R N -0.614 119.938 120.500 0.088 0.000 2.092 394 R HA -0.017 4.326 4.340 0.006 0.000 0.231 394 R C 2.471 178.934 176.300 0.271 0.000 1.119 394 R CA 1.061 57.227 56.100 0.109 0.000 0.970 394 R CB -0.427 29.874 30.300 0.002 0.000 0.864 394 R HN 0.513 nan 8.270 nan 0.000 0.440 395 A N 1.384 124.391 122.820 0.312 0.000 1.902 395 A HA -0.134 4.190 4.320 0.006 0.000 0.217 395 A C 2.391 180.241 177.584 0.444 0.000 1.181 395 A CA 1.683 54.032 52.037 0.521 0.000 0.623 395 A CB -0.695 18.654 19.000 0.581 0.000 0.818 395 A HN 0.388 nan 8.150 nan 0.000 0.443 396 A N -1.407 121.570 122.820 0.262 0.000 1.917 396 A HA -0.231 4.093 4.320 0.006 0.000 0.219 396 A C 2.105 179.813 177.584 0.207 0.000 1.182 396 A CA 1.564 53.706 52.037 0.175 0.000 0.633 396 A CB -0.839 18.245 19.000 0.140 0.000 0.819 396 A HN 0.856 nan 8.150 nan 0.000 0.448 397 W N 0.693 122.050 121.300 0.096 0.000 2.409 397 W HA -0.075 4.586 4.660 0.002 0.000 0.299 397 W C 1.637 178.216 176.519 0.100 0.000 1.203 397 W CA 1.700 59.083 57.345 0.064 0.000 1.298 397 W CB -0.246 29.232 29.460 0.030 0.000 1.127 397 W HN 0.541 nan 8.180 nan 0.000 0.528 398 E N -0.672 119.824 120.200 0.493 0.000 2.358 398 E HA -0.115 4.239 4.350 0.006 0.000 0.195 398 E C 1.955 178.789 176.600 0.391 0.000 1.010 398 E CA 1.433 58.102 56.400 0.448 0.000 0.856 398 E CB -0.081 29.924 29.700 0.508 0.000 0.795 398 E HN 0.048 nan 8.360 nan 0.000 0.504 399 T N 0.407 115.170 114.554 0.349 0.000 2.833 399 T HA -0.126 4.228 4.350 0.006 0.000 0.269 399 T C 1.822 176.543 174.700 0.035 0.000 1.054 399 T CA 1.272 63.488 62.100 0.194 0.000 1.135 399 T CB -0.000 68.979 68.868 0.186 0.000 0.869 399 T HN 0.223 nan 8.240 nan 0.000 0.466 400 A N 0.171 122.972 122.820 -0.032 0.000 2.169 400 A HA 0.312 4.636 4.320 0.006 0.000 0.210 400 A C 1.008 178.484 177.584 -0.180 0.000 1.168 400 A CA 0.052 52.005 52.037 -0.140 0.000 0.813 400 A CB 0.422 19.291 19.000 -0.219 0.000 0.861 400 A HN 0.101 nan 8.150 nan 0.000 0.481 401 R N 0.010 120.436 120.500 -0.123 0.000 2.604 401 R HA 0.338 4.682 4.340 0.006 0.000 0.281 401 R C -1.694 174.600 176.300 -0.010 0.000 1.020 401 R CA -0.516 55.528 56.100 -0.093 0.000 0.899 401 R CB 0.882 31.201 30.300 0.032 0.000 1.205 401 R HN 0.521 nan 8.270 nan 0.000 0.450 402 H N 0.769 119.916 119.070 0.128 0.000 2.722 402 H HA 0.188 4.747 4.556 0.005 0.000 0.328 402 H C 0.524 175.925 175.328 0.122 0.000 1.067 402 H CA 0.453 56.577 56.048 0.126 0.000 1.447 402 H CB 0.872 30.681 29.762 0.078 0.000 1.469 402 H HN 0.512 nan 8.280 nan 0.000 0.544 403 T N 0.268 114.964 114.554 0.238 0.000 2.932 403 T HA 0.231 4.585 4.350 0.006 0.000 0.289 403 T C -1.667 173.067 174.700 0.058 0.000 1.039 403 T CA -2.102 60.080 62.100 0.136 0.000 1.024 403 T CB 1.682 70.622 68.868 0.121 0.000 1.090 403 T HN 0.285 nan 8.240 nan 0.000 0.496 404 P HA 0.121 nan 4.420 nan 0.000 0.218 404 P C -0.101 177.184 177.300 -0.024 0.000 1.149 404 P CA 0.337 63.411 63.100 -0.044 0.000 0.817 404 P CB 0.107 31.773 31.700 -0.058 0.000 0.785 405 V N 1.186 121.083 119.914 -0.028 0.000 2.495 405 V HA 0.226 4.349 4.120 0.006 0.000 0.298 405 V C -0.108 175.947 176.094 -0.066 0.000 1.031 405 V CA -0.851 61.418 62.300 -0.051 0.000 0.871 405 V CB 1.765 33.554 31.823 -0.058 0.000 0.988 405 V HN -0.019 nan 8.190 nan 0.000 0.432 406 N N 3.002 121.614 118.700 -0.147 0.000 2.602 406 N HA 0.066 4.810 4.740 0.006 0.000 0.238 406 N C 1.327 176.609 175.510 -0.381 0.000 1.084 406 N CA 0.166 53.044 53.050 -0.287 0.000 0.952 406 N CB 1.585 39.761 38.487 -0.519 0.000 1.244 406 N HN 0.834 nan 8.380 nan 0.000 0.512 407 S N 2.081 117.676 115.700 -0.176 0.000 2.399 407 S HA -0.120 4.354 4.470 0.006 0.000 0.231 407 S C 1.840 176.379 174.600 -0.101 0.000 1.022 407 S CA 0.244 58.383 58.200 -0.101 0.000 0.983 407 S CB -0.397 62.798 63.200 -0.008 0.000 0.803 407 S HN 0.788 nan 8.310 nan 0.000 0.480 408 W N 1.239 122.453 121.300 -0.144 0.000 2.363 408 W HA -0.025 4.638 4.660 0.005 0.000 0.296 408 W C 1.690 178.133 176.519 -0.126 0.000 1.212 408 W CA 0.487 57.703 57.345 -0.216 0.000 1.260 408 W CB -1.045 27.907 29.460 -0.848 0.000 1.131 408 W HN 0.364 nan 8.180 nan 0.000 0.530 409 L N 2.796 123.354 121.223 -1.109 0.000 2.044 409 L HA 0.169 4.513 4.340 0.006 0.000 0.205 409 L C 2.714 179.401 176.870 -0.304 0.000 1.075 409 L CA 2.819 57.110 54.840 -0.915 0.000 0.747 409 L CB -1.399 39.889 42.059 -1.285 0.000 0.903 409 L HN 0.047 nan 8.230 nan 0.000 0.435 410 G N -0.567 108.080 108.800 -0.256 0.000 2.440 410 G HA2 -0.312 3.652 3.960 0.006 0.000 0.218 410 G HA3 -0.312 3.652 3.960 0.006 0.000 0.218 410 G C 1.448 176.376 174.900 0.047 0.000 1.154 410 G CA 0.857 45.903 45.100 -0.090 0.000 0.767 410 G HN 0.454 nan 8.290 nan 0.000 0.552 411 N N 0.668 119.448 118.700 0.134 0.000 2.120 411 N HA -0.037 4.707 4.740 0.006 0.000 0.188 411 N C 2.245 177.910 175.510 0.258 0.000 1.024 411 N CA 0.762 54.015 53.050 0.338 0.000 0.852 411 N CB -0.230 38.523 38.487 0.443 0.000 1.003 411 N HN 0.353 nan 8.380 nan 0.000 0.424 412 I N 0.882 121.569 120.570 0.195 0.000 2.286 412 I HA -0.221 3.953 4.170 0.006 0.000 0.248 412 I C 1.994 178.181 176.117 0.116 0.000 1.115 412 I CA 0.829 62.229 61.300 0.166 0.000 1.392 412 I CB -0.169 38.001 38.000 0.284 0.000 1.065 412 I HN 0.032 nan 8.210 nan 0.000 0.418 413 I N -0.099 120.542 120.570 0.118 0.000 2.179 413 I HA -0.303 3.871 4.170 0.006 0.000 0.242 413 I C 2.466 178.705 176.117 0.203 0.000 1.088 413 I CA 1.357 62.751 61.300 0.157 0.000 1.357 413 I CB -0.186 37.904 38.000 0.150 0.000 1.051 413 I HN 0.210 nan 8.210 nan 0.000 0.409 414 M N -1.078 118.564 119.600 0.071 0.000 2.334 414 M HA -0.055 4.428 4.480 0.006 0.000 0.266 414 M C 0.970 177.092 176.300 -0.297 0.000 1.082 414 M CA 1.535 56.772 55.300 -0.106 0.000 1.141 414 M CB -0.510 31.907 32.600 -0.305 0.000 1.380 414 M HN 0.183 nan 8.290 nan 0.000 0.440 415 Y N -0.587 119.703 120.300 -0.016 0.000 2.720 415 Y HA 0.466 5.019 4.550 0.006 0.000 0.268 415 Y C 1.787 177.430 175.900 -0.428 0.000 1.142 415 Y CA -0.327 57.645 58.100 -0.213 0.000 1.193 415 Y CB -0.853 37.422 38.460 -0.309 0.000 1.176 415 Y HN 0.143 nan 8.280 nan 0.000 0.542 416 A N 0.944 123.559 122.820 -0.341 0.000 1.940 416 A HA -0.139 4.185 4.320 0.006 0.000 0.219 416 A C -0.371 176.950 177.584 -0.438 0.000 1.176 416 A CA 1.539 53.356 52.037 -0.366 0.000 0.631 416 A CB -1.343 17.459 19.000 -0.330 0.000 0.814 416 A HN 0.249 nan 8.150 nan 0.000 0.446 417 P HA -0.000 nan 4.420 nan 0.000 0.230 417 P C 0.724 177.793 177.300 -0.386 0.000 1.158 417 P CA 1.318 64.167 63.100 -0.418 0.000 0.769 417 P CB -0.514 30.968 31.700 -0.363 0.000 0.807 418 T N -2.547 111.766 114.554 -0.402 0.000 2.899 418 T HA 0.146 4.499 4.350 0.006 0.000 0.295 418 T C 1.123 175.424 174.700 -0.665 0.000 1.033 418 T CA -0.689 61.128 62.100 -0.471 0.000 1.084 418 T CB 0.679 69.097 68.868 -0.749 0.000 0.979 418 T HN -0.150 nan 8.240 nan 0.000 0.532 419 L N 1.908 122.612 121.223 -0.865 0.000 2.046 419 L HA 0.059 4.402 4.340 0.006 0.000 0.208 419 L C 2.342 178.902 176.870 -0.517 0.000 1.077 419 L CA 1.501 55.787 54.840 -0.924 0.000 0.747 419 L CB -1.025 40.335 42.059 -1.165 0.000 0.896 419 L HN 0.915 nan 8.230 nan 0.000 0.432 420 W N -0.506 120.576 121.300 -0.363 0.000 2.418 420 W HA 0.083 4.746 4.660 0.006 0.000 0.292 420 W C 1.969 178.357 176.519 -0.220 0.000 1.213 420 W CA 0.745 57.922 57.345 -0.280 0.000 1.283 420 W CB -1.290 28.036 29.460 -0.222 0.000 1.119 420 W HN 0.314 nan 8.180 nan 0.000 0.542 421 A N 1.968 124.349 122.820 -0.731 0.000 1.898 421 A HA -0.126 4.198 4.320 0.006 0.000 0.216 421 A C 2.240 179.683 177.584 -0.236 0.000 1.181 421 A CA 1.764 53.515 52.037 -0.477 0.000 0.620 421 A CB -0.795 17.774 19.000 -0.719 0.000 0.819 421 A HN 0.300 nan 8.150 nan 0.000 0.442 422 R N -1.114 119.167 120.500 -0.364 0.000 2.066 422 R HA 0.031 4.375 4.340 0.006 0.000 0.232 422 R C 2.244 178.372 176.300 -0.286 0.000 1.131 422 R CA 1.744 57.647 56.100 -0.329 0.000 0.955 422 R CB -0.314 29.644 30.300 -0.570 0.000 0.851 422 R HN 0.506 nan 8.270 nan 0.000 0.432 423 M N -0.455 118.857 119.600 -0.481 0.000 2.287 423 M HA 0.008 4.492 4.480 0.006 0.000 0.266 423 M C 1.862 178.130 176.300 -0.053 0.000 1.079 423 M CA 1.385 56.444 55.300 -0.402 0.000 1.146 423 M CB 0.205 32.529 32.600 -0.460 0.000 1.374 423 M HN 0.112 nan 8.290 nan 0.000 0.435 424 I N -0.673 119.729 120.570 -0.280 0.000 2.962 424 I HA -0.101 4.072 4.170 0.006 0.000 0.246 424 I C 2.048 178.024 176.117 -0.236 0.000 1.091 424 I CA 0.362 61.267 61.300 -0.658 0.000 1.469 424 I CB -0.286 37.225 38.000 -0.816 0.000 1.324 424 I HN 0.119 nan 8.210 nan 0.000 0.461 425 L N 0.297 121.553 121.223 0.054 0.000 2.012 425 L HA -0.225 4.118 4.340 0.006 0.000 0.210 425 L C 2.672 179.833 176.870 0.485 0.000 1.073 425 L CA 1.696 56.754 54.840 0.363 0.000 0.748 425 L CB -0.547 41.779 42.059 0.445 0.000 0.891 425 L HN 0.288 nan 8.230 nan 0.000 0.431 426 M N -0.890 118.961 119.600 0.419 0.000 2.099 426 M HA -0.163 4.321 4.480 0.006 0.000 0.262 426 M C 2.360 179.170 176.300 0.850 0.000 1.067 426 M CA 1.948 57.600 55.300 0.587 0.000 1.124 426 M CB -0.607 32.115 32.600 0.203 0.000 1.353 426 M HN 0.244 nan 8.290 nan 0.000 0.410 427 T N -1.148 113.888 114.554 0.804 0.000 2.622 427 T HA -0.242 4.111 4.350 0.006 0.000 0.266 427 T C 1.674 176.675 174.700 0.501 0.000 1.047 427 T CA 2.018 64.559 62.100 0.735 0.000 1.159 427 T CB -0.588 68.751 68.868 0.786 0.000 0.863 427 T HN 0.454 nan 8.240 nan 0.000 0.422 428 H N 0.296 119.545 119.070 0.298 0.000 2.290 428 H HA -0.047 4.512 4.556 0.006 0.000 0.298 428 H C 1.801 176.992 175.328 -0.229 0.000 1.087 428 H CA 1.718 57.792 56.048 0.043 0.000 1.291 428 H CB -0.489 29.159 29.762 -0.191 0.000 1.369 428 H HN 0.350 nan 8.280 nan 0.000 0.492 429 F N -1.245 118.658 119.950 -0.077 0.000 2.293 429 F HA 0.018 4.549 4.527 0.005 0.000 0.297 429 F C 1.938 177.498 175.800 -0.400 0.000 1.089 429 F CA 0.447 58.127 58.000 -0.534 0.000 1.377 429 F CB -0.459 37.800 39.000 -1.235 0.000 1.051 429 F HN 0.137 nan 8.300 nan 0.000 0.511 430 F N -0.548 119.475 119.950 0.122 0.000 2.186 430 F HA -0.190 4.342 4.527 0.007 0.000 0.299 430 F C 2.731 178.547 175.800 0.027 0.000 1.090 430 F CA 1.480 59.571 58.000 0.152 0.000 1.307 430 F CB -1.034 38.171 39.000 0.341 0.000 1.019 430 F HN -0.125 nan 8.300 nan 0.000 0.489 431 S N 0.556 116.318 115.700 0.103 0.000 2.359 431 S HA -0.224 4.250 4.470 0.006 0.000 0.222 431 S C 2.164 176.709 174.600 -0.091 0.000 1.038 431 S CA 1.781 59.968 58.200 -0.022 0.000 1.051 431 S CB -0.529 62.637 63.200 -0.056 0.000 0.944 431 S HN 0.300 nan 8.310 nan 0.000 0.433 432 I N 1.343 121.789 120.570 -0.207 0.000 2.127 432 I HA -0.212 3.961 4.170 0.006 0.000 0.241 432 I C 2.267 178.330 176.117 -0.089 0.000 1.075 432 I CA 1.241 62.424 61.300 -0.195 0.000 1.334 432 I CB -0.424 37.391 38.000 -0.307 0.000 1.040 432 I HN 0.318 nan 8.210 nan 0.000 0.405 433 L N 0.069 121.240 121.223 -0.087 0.000 2.042 433 L HA -0.249 4.095 4.340 0.006 0.000 0.210 433 L C 2.590 179.467 176.870 0.011 0.000 1.076 433 L CA 1.356 56.175 54.840 -0.034 0.000 0.749 433 L CB -0.579 41.421 42.059 -0.099 0.000 0.893 433 L HN 0.303 nan 8.230 nan 0.000 0.432 434 L N -0.246 120.995 121.223 0.030 0.000 2.012 434 L HA -0.221 4.123 4.340 0.006 0.000 0.210 434 L C 2.821 179.700 176.870 0.016 0.000 1.073 434 L CA 1.393 56.260 54.840 0.044 0.000 0.748 434 L CB -0.558 41.531 42.059 0.050 0.000 0.891 434 L HN 0.249 nan 8.230 nan 0.000 0.431 435 A N -1.300 121.516 122.820 -0.006 0.000 2.015 435 A HA -0.166 4.158 4.320 0.006 0.000 0.219 435 A C 1.988 179.572 177.584 0.000 0.000 1.163 435 A CA 1.154 53.183 52.037 -0.012 0.000 0.646 435 A CB -0.170 18.811 19.000 -0.032 0.000 0.806 435 A HN 0.443 nan 8.150 nan 0.000 0.448 436 Q N -1.020 118.785 119.800 0.009 0.000 2.319 436 Q HA 0.111 4.455 4.340 0.006 0.000 0.202 436 Q C -0.332 175.686 176.000 0.030 0.000 0.896 436 Q CA 0.263 56.080 55.803 0.023 0.000 0.942 436 Q CB 0.179 28.940 28.738 0.037 0.000 1.083 436 Q HN 0.768 nan 8.270 nan 0.000 0.510 437 E N 0.939 121.157 120.200 0.030 0.000 2.269 437 E HA -0.248 4.105 4.350 0.006 0.000 0.223 437 E C -0.247 176.380 176.600 0.044 0.000 1.244 437 E CA 0.332 56.754 56.400 0.037 0.000 0.713 437 E CB -0.721 28.997 29.700 0.031 0.000 1.178 437 E HN 0.381 nan 8.360 nan 0.000 0.370 438 Q N -0.298 119.532 119.800 0.049 0.000 2.155 438 Q HA 0.115 4.459 4.340 0.006 0.000 0.220 438 Q C 1.320 177.358 176.000 0.064 0.000 0.819 438 Q CA -0.560 55.277 55.803 0.057 0.000 1.032 438 Q CB 0.538 29.314 28.738 0.064 0.000 1.151 438 Q HN 0.265 nan 8.270 nan 0.000 0.487 439 L N 1.126 122.390 121.223 0.069 0.000 2.089 439 L HA -0.237 4.107 4.340 0.006 0.000 0.213 439 L C 1.857 178.787 176.870 0.099 0.000 1.079 439 L CA 1.970 56.865 54.840 0.093 0.000 0.758 439 L CB -0.791 41.352 42.059 0.140 0.000 0.891 439 L HN 0.416 nan 8.230 nan 0.000 0.433 440 E N -0.525 119.724 120.200 0.082 0.000 2.442 440 E HA -0.059 4.294 4.350 0.006 0.000 0.195 440 E C 0.923 177.563 176.600 0.067 0.000 1.030 440 E CA -0.109 56.335 56.400 0.074 0.000 0.869 440 E CB 0.248 29.984 29.700 0.060 0.000 0.857 440 E HN 0.353 nan 8.360 nan 0.000 0.505 441 K N 2.023 122.464 120.400 0.067 0.000 2.316 441 K HA 0.274 4.598 4.320 0.006 0.000 0.289 441 K C -0.439 176.202 176.600 0.068 0.000 1.070 441 K CA -0.217 56.106 56.287 0.061 0.000 0.928 441 K CB 0.713 33.248 32.500 0.057 0.000 1.039 441 K HN -0.104 nan 8.250 nan 0.000 0.480 442 A N 5.369 128.227 122.820 0.063 0.000 2.546 442 A HA 0.181 4.505 4.320 0.006 0.000 0.243 442 A C -0.367 177.252 177.584 0.059 0.000 1.063 442 A CA 0.130 52.206 52.037 0.065 0.000 0.757 442 A CB -0.020 19.023 19.000 0.072 0.000 0.991 442 A HN 0.753 nan 8.150 nan 0.000 0.503 443 L N 2.031 123.277 121.223 0.039 0.000 2.341 443 L HA 0.405 4.749 4.340 0.006 0.000 0.267 443 L C -0.671 176.197 176.870 -0.004 0.000 1.009 443 L CA -1.072 53.776 54.840 0.014 0.000 0.819 443 L CB 1.862 43.907 42.059 -0.024 0.000 1.323 443 L HN 0.541 nan 8.230 nan 0.000 0.425 444 D N 1.044 121.450 120.400 0.010 0.000 2.304 444 D HA 0.420 5.064 4.640 0.006 0.000 0.250 444 D C -0.374 175.886 176.300 -0.067 0.000 1.107 444 D CA 0.002 54.012 54.000 0.016 0.000 0.885 444 D CB 1.209 42.048 40.800 0.066 0.000 1.192 444 D HN 0.618 nan 8.370 nan 0.000 0.436 445 C N 0.662 119.925 119.300 -0.063 0.000 3.285 445 C HA 0.707 5.170 4.460 0.006 0.000 0.320 445 C C -1.184 173.781 174.990 -0.041 0.000 1.411 445 C CA -0.851 58.107 59.018 -0.101 0.000 1.429 445 C CB 1.370 28.998 27.740 -0.187 0.000 1.812 445 C HN 0.510 nan 8.230 nan 0.000 0.454 446 Q N 0.555 120.327 119.800 -0.046 0.000 2.340 446 Q HA 0.736 5.080 4.340 0.006 0.000 0.268 446 Q C -1.474 174.518 176.000 -0.012 0.000 1.031 446 Q CA -0.308 55.491 55.803 -0.007 0.000 0.804 446 Q CB 2.470 31.201 28.738 -0.011 0.000 1.286 446 Q HN 0.716 nan 8.270 nan 0.000 0.448 447 I N 2.670 123.250 120.570 0.016 0.000 2.478 447 I HA 0.193 4.366 4.170 0.006 0.000 0.287 447 I C -1.026 175.142 176.117 0.085 0.000 1.042 447 I CA -0.756 60.488 61.300 -0.094 0.000 1.067 447 I CB 1.169 38.887 38.000 -0.471 0.000 1.233 447 I HN 0.620 nan 8.210 nan 0.000 0.431 448 Y N 5.142 125.494 120.300 0.087 0.000 3.225 448 Y HA -0.252 4.302 4.550 0.006 0.000 0.211 448 Y C 1.489 177.339 175.900 -0.083 0.000 1.223 448 Y CA 1.041 59.147 58.100 0.009 0.000 1.284 448 Y CB -2.018 36.452 38.460 0.016 0.000 1.367 448 Y HN 0.972 nan 8.280 nan 0.000 0.566 449 G N -2.134 106.737 108.800 0.119 0.000 2.212 449 G HA2 -0.030 3.933 3.960 0.006 0.000 0.266 449 G HA3 -0.030 3.933 3.960 0.006 0.000 0.266 449 G C 0.442 175.348 174.900 0.011 0.000 0.978 449 G CA 0.236 45.363 45.100 0.046 0.000 0.632 449 G HN 1.573 nan 8.290 nan 0.000 0.537 450 A N -0.708 122.116 122.820 0.006 0.000 2.303 450 A HA 0.662 4.986 4.320 0.006 0.000 0.317 450 A C 0.559 177.951 177.584 -0.320 0.000 1.149 450 A CA 0.257 52.147 52.037 -0.245 0.000 0.822 450 A CB 0.950 19.746 19.000 -0.339 0.000 1.131 450 A HN 0.951 nan 8.150 nan 0.000 0.493 451 C N 1.420 120.457 119.300 -0.439 0.000 2.369 451 C HA 0.622 5.086 4.460 0.006 0.000 0.358 451 C C -0.595 173.964 174.990 -0.717 0.000 1.274 451 C CA -0.094 58.728 59.018 -0.327 0.000 1.935 451 C CB -1.431 26.271 27.740 -0.063 0.000 2.431 451 C HN 0.688 nan 8.230 nan 0.000 0.545 452 Y N 0.933 121.054 120.300 -0.299 0.000 2.462 452 Y HA 0.480 5.034 4.550 0.007 0.000 0.346 452 Y C 0.340 176.121 175.900 -0.198 0.000 0.976 452 Y CA -0.423 57.456 58.100 -0.368 0.000 1.044 452 Y CB 1.633 39.836 38.460 -0.429 0.000 1.230 452 Y HN 0.552 nan 8.280 nan 0.000 0.455 453 S N 4.076 119.761 115.700 -0.024 0.000 2.438 453 S HA 0.733 5.207 4.470 0.006 0.000 0.316 453 S C -1.308 173.342 174.600 0.082 0.000 1.084 453 S CA -0.428 57.814 58.200 0.070 0.000 1.107 453 S CB -0.221 63.062 63.200 0.139 0.000 0.981 453 S HN 0.444 nan 8.310 nan 0.000 0.466 454 I N 3.766 124.377 120.570 0.068 0.000 2.533 454 I HA 0.421 4.594 4.170 0.006 0.000 0.290 454 I C 0.058 176.212 176.117 0.061 0.000 1.056 454 I CA -0.892 60.457 61.300 0.080 0.000 1.057 454 I CB 1.881 39.921 38.000 0.067 0.000 1.240 454 I HN 0.709 nan 8.210 nan 0.000 0.423 455 E N 6.885 127.132 120.200 0.078 0.000 2.229 455 E HA 0.237 4.591 4.350 0.006 0.000 0.283 455 E C -1.619 175.048 176.600 0.113 0.000 1.030 455 E CA -1.455 54.997 56.400 0.086 0.000 0.836 455 E CB 1.546 31.296 29.700 0.083 0.000 1.068 455 E HN 0.277 nan 8.360 nan 0.000 0.401 456 P HA -0.162 nan 4.420 nan 0.000 0.218 456 P C 1.086 178.566 177.300 0.300 0.000 1.148 456 P CA 0.973 64.191 63.100 0.196 0.000 0.822 456 P CB 0.245 32.010 31.700 0.109 0.000 0.784 457 L N -0.726 120.638 121.223 0.235 0.000 2.447 457 L HA -0.154 4.190 4.340 0.006 0.000 0.225 457 L C 1.268 178.234 176.870 0.161 0.000 1.148 457 L CA 1.250 56.227 54.840 0.228 0.000 0.808 457 L CB -0.560 41.594 42.059 0.158 0.000 0.928 457 L HN 0.028 nan 8.230 nan 0.000 0.448 458 D N -0.657 119.825 120.400 0.137 0.000 2.339 458 D HA 0.026 4.670 4.640 0.006 0.000 0.217 458 D C 2.202 178.556 176.300 0.091 0.000 1.050 458 D CA 0.171 54.220 54.000 0.082 0.000 0.856 458 D CB 0.451 41.284 40.800 0.055 0.000 0.922 458 D HN 0.294 nan 8.370 nan 0.000 0.518 459 L N 1.151 122.475 121.223 0.168 0.000 2.013 459 L HA -0.173 4.171 4.340 0.006 0.000 0.212 459 L C -0.480 176.487 176.870 0.161 0.000 1.073 459 L CA 1.705 56.661 54.840 0.193 0.000 0.753 459 L CB -1.469 40.782 42.059 0.321 0.000 0.890 459 L HN 0.047 nan 8.230 nan 0.000 0.432 460 P HA -0.188 nan 4.420 nan 0.000 0.215 460 P C 1.310 178.675 177.300 0.108 0.000 1.153 460 P CA 1.232 64.385 63.100 0.089 0.000 0.853 460 P CB 0.035 31.612 31.700 -0.205 0.000 0.788 461 Q N -0.793 119.001 119.800 -0.011 0.000 2.079 461 Q HA -0.083 4.260 4.340 0.006 0.000 0.200 461 Q C 2.183 178.158 176.000 -0.043 0.000 0.974 461 Q CA 1.225 57.002 55.803 -0.042 0.000 0.840 461 Q CB -1.005 27.686 28.738 -0.078 0.000 0.898 461 Q HN 0.259 nan 8.270 nan 0.000 0.430 462 I N 0.068 120.613 120.570 -0.042 0.000 2.179 462 I HA -0.279 3.895 4.170 0.006 0.000 0.242 462 I C 2.019 178.114 176.117 -0.037 0.000 1.088 462 I CA 1.234 62.466 61.300 -0.114 0.000 1.357 462 I CB -0.276 37.679 38.000 -0.075 0.000 1.051 462 I HN 0.189 nan 8.210 nan 0.000 0.409 463 I N 0.442 121.065 120.570 0.088 0.000 2.179 463 I HA -0.297 3.876 4.170 0.006 0.000 0.242 463 I C 2.628 178.760 176.117 0.025 0.000 1.088 463 I CA 1.509 62.886 61.300 0.128 0.000 1.357 463 I CB -0.468 37.627 38.000 0.158 0.000 1.051 463 I HN 0.309 nan 8.210 nan 0.000 0.409 464 E N 1.237 121.486 120.200 0.081 0.000 2.070 464 E HA -0.263 4.090 4.350 0.006 0.000 0.197 464 E C 2.410 178.995 176.600 -0.025 0.000 1.004 464 E CA 1.347 57.775 56.400 0.046 0.000 0.805 464 E CB 0.073 29.848 29.700 0.125 0.000 0.744 464 E HN 0.247 nan 8.360 nan 0.000 0.451 465 R N 0.121 120.587 120.500 -0.056 0.000 2.096 465 R HA -0.074 4.269 4.340 0.006 0.000 0.235 465 R C 2.471 178.704 176.300 -0.112 0.000 1.127 465 R CA 0.956 56.998 56.100 -0.096 0.000 0.968 465 R CB -0.521 29.685 30.300 -0.156 0.000 0.861 465 R HN 0.384 nan 8.270 nan 0.000 0.440 466 L N -0.726 120.407 121.223 -0.150 0.000 2.162 466 L HA -0.045 4.299 4.340 0.006 0.000 0.205 466 L C 1.833 178.456 176.870 -0.412 0.000 1.086 466 L CA 1.032 55.712 54.840 -0.268 0.000 0.778 466 L CB -0.297 41.534 42.059 -0.380 0.000 0.928 466 L HN 0.268 nan 8.230 nan 0.000 0.446 467 H N -0.907 118.104 119.070 -0.098 0.000 3.058 467 H HA 0.272 4.832 4.556 0.006 0.000 0.258 467 H C 0.963 176.211 175.328 -0.133 0.000 1.015 467 H CA 0.769 56.742 56.048 -0.124 0.000 1.210 467 H CB 1.041 30.698 29.762 -0.174 0.000 1.481 467 H HN 0.271 nan 8.280 nan 0.000 0.492 468 G N 1.224 110.001 108.800 -0.038 0.000 2.787 468 G HA2 -0.249 3.715 3.960 0.006 0.000 0.685 468 G HA3 -0.249 3.715 3.960 0.006 0.000 0.685 468 G C 0.834 175.661 174.900 -0.122 0.000 1.437 468 G CA -0.075 44.996 45.100 -0.049 0.000 0.872 468 G HN 0.247 nan 8.290 nan 0.000 0.566 469 L N 0.957 122.173 121.223 -0.012 0.000 2.137 469 L HA -0.222 4.122 4.340 0.006 0.000 0.213 469 L C 3.259 180.121 176.870 -0.014 0.000 1.085 469 L CA 2.676 57.566 54.840 0.083 0.000 0.760 469 L CB -0.561 41.610 42.059 0.185 0.000 0.893 469 L HN 1.015 nan 8.230 nan 0.000 0.434 470 S N -0.306 115.366 115.700 -0.047 0.000 2.469 470 S HA -0.150 4.324 4.470 0.006 0.000 0.238 470 S C 2.038 176.546 174.600 -0.153 0.000 0.998 470 S CA 0.783 58.948 58.200 -0.057 0.000 0.957 470 S CB -0.341 62.831 63.200 -0.046 0.000 0.764 470 S HN 0.390 nan 8.310 nan 0.000 0.514 471 A N 0.793 123.421 122.820 -0.320 0.000 2.070 471 A HA 0.170 4.493 4.320 0.006 0.000 0.220 471 A C 1.441 178.808 177.584 -0.362 0.000 1.159 471 A CA 0.898 52.675 52.037 -0.432 0.000 0.656 471 A CB -0.822 17.833 19.000 -0.574 0.000 0.800 471 A HN 0.595 nan 8.150 nan 0.000 0.453 472 F N 0.139 120.108 119.950 0.031 0.000 2.797 472 F HA 0.135 4.666 4.527 0.006 0.000 0.302 472 F C 1.465 177.309 175.800 0.073 0.000 1.130 472 F CA 0.524 58.565 58.000 0.067 0.000 1.387 472 F CB -0.060 39.003 39.000 0.105 0.000 1.107 472 F HN 0.184 nan 8.300 nan 0.000 0.577 473 S N -1.479 114.317 115.700 0.159 0.000 2.817 473 S HA 0.295 4.769 4.470 0.006 0.000 0.262 473 S C 0.229 174.894 174.600 0.110 0.000 1.051 473 S CA -0.365 57.920 58.200 0.141 0.000 1.185 473 S CB -0.079 63.195 63.200 0.124 0.000 1.152 473 S HN 0.029 nan 8.310 nan 0.000 0.653 474 L N 3.416 124.620 121.223 -0.032 0.000 2.483 474 L HA 0.387 4.731 4.340 0.006 0.000 0.276 474 L C 0.592 177.346 176.870 -0.194 0.000 1.213 474 L CA 0.288 54.991 54.840 -0.230 0.000 0.843 474 L CB 0.024 41.784 42.059 -0.498 0.000 1.107 474 L HN 0.589 nan 8.230 nan 0.000 0.487 475 H N -1.823 116.994 119.070 -0.421 0.000 2.905 475 H HA 0.354 4.914 4.556 0.006 0.000 0.280 475 H C -0.408 174.741 175.328 -0.300 0.000 1.445 475 H CA -0.760 55.113 56.048 -0.292 0.000 1.165 475 H CB 0.824 30.563 29.762 -0.038 0.000 1.857 475 H HN 0.386 nan 8.280 nan 0.000 0.567 476 S N -0.786 114.872 115.700 -0.070 0.000 3.484 476 S HA -0.248 4.226 4.470 0.006 0.000 0.384 476 S C -0.597 173.960 174.600 -0.071 0.000 0.932 476 S CA 0.554 58.759 58.200 0.008 0.000 1.293 476 S CB -2.552 60.699 63.200 0.086 0.000 0.919 476 S HN 0.518 nan 8.310 nan 0.000 0.540 477 Y N 1.764 122.069 120.300 0.009 0.000 2.330 477 Y HA 0.337 4.891 4.550 0.006 0.000 0.341 477 Y C 1.441 177.362 175.900 0.035 0.000 1.278 477 Y CA 0.343 58.450 58.100 0.011 0.000 1.453 477 Y CB 0.480 38.953 38.460 0.021 0.000 1.342 477 Y HN 0.574 nan 8.280 nan 0.000 0.590 478 S N 2.260 118.091 115.700 0.218 0.000 2.572 478 S HA 0.092 4.566 4.470 0.006 0.000 0.279 478 S C -1.901 172.771 174.600 0.119 0.000 1.341 478 S CA -1.131 57.141 58.200 0.121 0.000 1.043 478 S CB 1.061 64.311 63.200 0.083 0.000 0.887 478 S HN 0.480 nan 8.310 nan 0.000 0.516 479 P HA 0.061 nan 4.420 nan 0.000 0.223 479 P C 1.529 178.864 177.300 0.059 0.000 1.151 479 P CA 1.287 64.431 63.100 0.073 0.000 0.787 479 P CB -0.514 31.222 31.700 0.059 0.000 0.788 480 G N 0.448 109.280 108.800 0.053 0.000 2.421 480 G HA2 -0.231 3.732 3.960 0.006 0.000 0.217 480 G HA3 -0.231 3.732 3.960 0.006 0.000 0.217 480 G C 1.652 176.577 174.900 0.042 0.000 1.143 480 G CA 0.655 45.778 45.100 0.038 0.000 0.784 480 G HN 0.295 nan 8.290 nan 0.000 0.541 481 E N 0.652 120.893 120.200 0.068 0.000 2.051 481 E HA 0.020 4.374 4.350 0.006 0.000 0.189 481 E C 2.368 179.004 176.600 0.060 0.000 0.979 481 E CA 0.419 56.867 56.400 0.081 0.000 0.803 481 E CB -0.407 29.386 29.700 0.154 0.000 0.761 481 E HN 0.400 nan 8.360 nan 0.000 0.451 482 I N 1.117 121.729 120.570 0.070 0.000 2.145 482 I HA -0.369 3.805 4.170 0.006 0.000 0.244 482 I C 1.925 178.061 176.117 0.032 0.000 1.075 482 I CA 1.639 62.966 61.300 0.045 0.000 1.332 482 I CB -0.484 37.560 38.000 0.073 0.000 1.033 482 I HN 0.186 nan 8.210 nan 0.000 0.410 483 N N 0.283 119.004 118.700 0.035 0.000 2.120 483 N HA -0.187 4.557 4.740 0.006 0.000 0.188 483 N C 1.874 177.389 175.510 0.007 0.000 1.024 483 N CA 1.114 54.178 53.050 0.024 0.000 0.852 483 N CB -0.299 38.204 38.487 0.026 0.000 1.003 483 N HN 0.249 nan 8.380 nan 0.000 0.424 484 R N 0.519 121.018 120.500 -0.001 0.000 2.073 484 R HA -0.070 4.273 4.340 0.006 0.000 0.234 484 R C 1.682 177.953 176.300 -0.049 0.000 1.134 484 R CA 1.145 57.228 56.100 -0.027 0.000 0.952 484 R CB -0.333 29.945 30.300 -0.038 0.000 0.850 484 R HN 0.010 nan 8.270 nan 0.000 0.433 485 V N 1.142 121.031 119.914 -0.040 0.000 2.237 485 V HA -0.263 3.861 4.120 0.006 0.000 0.245 485 V C 2.528 178.605 176.094 -0.028 0.000 1.046 485 V CA 2.032 64.299 62.300 -0.054 0.000 1.007 485 V CB -0.969 30.846 31.823 -0.015 0.000 0.638 485 V HN 0.590 nan 8.190 nan 0.000 0.445 486 A N -0.371 122.448 122.820 -0.001 0.000 1.917 486 A HA -0.303 4.021 4.320 0.006 0.000 0.219 486 A C 2.586 180.176 177.584 0.010 0.000 1.182 486 A CA 2.657 54.705 52.037 0.017 0.000 0.633 486 A CB -0.924 18.092 19.000 0.028 0.000 0.819 486 A HN 0.542 nan 8.150 nan 0.000 0.448 487 S N -1.403 114.298 115.700 0.001 0.000 2.383 487 S HA -0.170 4.304 4.470 0.006 0.000 0.227 487 S C 1.960 176.556 174.600 -0.006 0.000 1.026 487 S CA 1.558 59.759 58.200 0.002 0.000 0.981 487 S CB -0.819 62.381 63.200 0.000 0.000 0.818 487 S HN 0.647 nan 8.310 nan 0.000 0.472 488 C N 1.464 120.745 119.300 -0.032 0.000 2.440 488 C HA 0.150 4.613 4.460 0.006 0.000 0.278 488 C C 2.540 177.513 174.990 -0.028 0.000 1.295 488 C CA 0.336 59.327 59.018 -0.045 0.000 1.738 488 C CB -1.521 26.155 27.740 -0.106 0.000 1.987 488 C HN 0.590 nan 8.230 nan 0.000 0.492 489 L N 0.498 121.709 121.223 -0.019 0.000 2.042 489 L HA -0.188 4.155 4.340 0.006 0.000 0.210 489 L C 2.840 179.705 176.870 -0.010 0.000 1.076 489 L CA 1.692 56.534 54.840 0.003 0.000 0.749 489 L CB -0.863 41.224 42.059 0.046 0.000 0.893 489 L HN 0.404 nan 8.230 nan 0.000 0.432 490 R N 0.266 120.770 120.500 0.007 0.000 2.081 490 R HA -0.183 4.161 4.340 0.006 0.000 0.235 490 R C 2.349 178.676 176.300 0.044 0.000 1.131 490 R CA 1.298 57.409 56.100 0.018 0.000 0.960 490 R CB -0.268 30.054 30.300 0.037 0.000 0.856 490 R HN 0.290 nan 8.270 nan 0.000 0.436 491 K N 1.012 121.445 120.400 0.055 0.000 2.063 491 K HA -0.122 4.202 4.320 0.006 0.000 0.208 491 K C 1.783 178.486 176.600 0.173 0.000 1.048 491 K CA 1.307 57.660 56.287 0.110 0.000 0.928 491 K CB 0.047 32.585 32.500 0.064 0.000 0.713 491 K HN 0.138 nan 8.250 nan 0.000 0.442 492 L N -0.979 120.266 121.223 0.037 0.000 2.554 492 L HA 0.193 4.537 4.340 0.006 0.000 0.225 492 L C 0.865 177.574 176.870 -0.268 0.000 1.104 492 L CA 0.342 55.189 54.840 0.012 0.000 0.866 492 L CB 0.464 42.535 42.059 0.021 0.000 1.047 492 L HN 0.535 nan 8.230 nan 0.000 0.468 493 G N 1.085 109.603 108.800 -0.469 0.000 2.212 493 G HA2 -0.217 3.747 3.960 0.006 0.000 0.255 493 G HA3 -0.217 3.747 3.960 0.006 0.000 0.255 493 G C -0.045 174.723 174.900 -0.220 0.000 1.062 493 G CA -0.065 44.647 45.100 -0.647 0.000 0.815 493 G HN 0.068 nan 8.290 nan 0.000 0.497 494 V N 1.071 120.940 119.914 -0.074 0.000 2.546 494 V HA 0.395 4.519 4.120 0.006 0.000 0.284 494 V C -1.127 175.050 176.094 0.138 0.000 1.050 494 V CA -1.404 60.948 62.300 0.087 0.000 0.981 494 V CB 1.377 33.271 31.823 0.118 0.000 0.990 494 V HN 0.215 nan 8.190 nan 0.000 0.474 495 P HA 0.107 nan 4.420 nan 0.000 0.266 495 P C -2.471 174.953 177.300 0.207 0.000 1.193 495 P CA -0.699 62.437 63.100 0.061 0.000 0.770 495 P CB -0.236 31.326 31.700 -0.230 0.000 0.836 496 P HA 0.083 nan 4.420 nan 0.000 0.272 496 P C 0.913 178.387 177.300 0.290 0.000 1.240 496 P CA -0.113 63.088 63.100 0.168 0.000 0.791 496 P CB 0.705 32.456 31.700 0.086 0.000 0.978 497 L N 0.573 121.973 121.223 0.294 0.000 2.129 497 L HA -0.234 4.110 4.340 0.006 0.000 0.212 497 L C 2.862 179.917 176.870 0.308 0.000 1.087 497 L CA 1.858 56.909 54.840 0.351 0.000 0.757 497 L CB -0.922 41.248 42.059 0.184 0.000 0.896 497 L HN 0.485 nan 8.230 nan 0.000 0.434 498 R N -0.134 120.482 120.500 0.193 0.000 2.105 498 R HA -0.127 4.217 4.340 0.006 0.000 0.239 498 R C 1.974 178.353 176.300 0.131 0.000 1.135 498 R CA 1.628 57.819 56.100 0.152 0.000 0.967 498 R CB -1.079 29.272 30.300 0.086 0.000 0.861 498 R HN 0.149 nan 8.270 nan 0.000 0.442 499 V N 0.611 120.552 119.914 0.046 0.000 2.307 499 V HA -0.189 3.935 4.120 0.006 0.000 0.245 499 V C 2.030 178.074 176.094 -0.084 0.000 1.045 499 V CA 1.864 64.108 62.300 -0.094 0.000 1.024 499 V CB -0.737 30.913 31.823 -0.288 0.000 0.651 499 V HN 0.398 nan 8.190 nan 0.000 0.449 500 W N 0.229 121.634 121.300 0.174 0.000 2.342 500 W HA -0.167 4.497 4.660 0.006 0.000 0.297 500 W C 2.715 179.441 176.519 0.345 0.000 1.213 500 W CA 1.666 59.156 57.345 0.242 0.000 1.251 500 W CB -0.436 29.164 29.460 0.234 0.000 1.136 500 W HN 0.063 nan 8.180 nan 0.000 0.526 501 R N -0.317 120.508 120.500 0.542 0.000 2.083 501 R HA -0.248 4.096 4.340 0.006 0.000 0.237 501 R C 2.133 178.578 176.300 0.241 0.000 1.137 501 R CA 2.171 58.568 56.100 0.495 0.000 0.951 501 R CB -0.745 29.809 30.300 0.425 0.000 0.851 501 R HN 0.226 nan 8.270 nan 0.000 0.434 502 H N 0.347 119.474 119.070 0.095 0.000 2.290 502 H HA -0.070 4.490 4.556 0.006 0.000 0.298 502 H C 2.041 177.353 175.328 -0.027 0.000 1.087 502 H CA 2.279 58.330 56.048 0.004 0.000 1.291 502 H CB 0.017 29.764 29.762 -0.025 0.000 1.369 502 H HN 0.127 nan 8.280 nan 0.000 0.492 503 R N -0.369 120.108 120.500 -0.039 0.000 2.105 503 R HA -0.098 4.246 4.340 0.006 0.000 0.239 503 R C 2.499 178.725 176.300 -0.123 0.000 1.135 503 R CA 1.016 57.051 56.100 -0.107 0.000 0.967 503 R CB -0.298 29.989 30.300 -0.022 0.000 0.861 503 R HN 0.413 nan 8.270 nan 0.000 0.442 504 A N 0.975 123.770 122.820 -0.041 0.000 1.930 504 A HA -0.158 4.165 4.320 0.006 0.000 0.217 504 A C 2.060 179.370 177.584 -0.457 0.000 1.175 504 A CA 1.121 52.996 52.037 -0.270 0.000 0.627 504 A CB -0.294 18.604 19.000 -0.170 0.000 0.815 504 A HN 0.190 nan 8.150 nan 0.000 0.443 505 R N -0.437 119.867 120.500 -0.328 0.000 2.091 505 R HA -0.133 4.211 4.340 0.006 0.000 0.238 505 R C 2.685 178.808 176.300 -0.295 0.000 1.136 505 R CA 1.648 57.570 56.100 -0.296 0.000 0.959 505 R CB -0.391 29.784 30.300 -0.208 0.000 0.856 505 R HN 0.589 nan 8.270 nan 0.000 0.437 506 S N 0.003 115.516 115.700 -0.311 0.000 2.348 506 S HA -0.116 4.358 4.470 0.006 0.000 0.221 506 S C 2.036 176.483 174.600 -0.255 0.000 1.033 506 S CA 1.501 59.543 58.200 -0.263 0.000 1.010 506 S CB -0.261 62.781 63.200 -0.263 0.000 0.891 506 S HN 0.126 nan 8.310 nan 0.000 0.442 507 V N 2.824 122.547 119.914 -0.317 0.000 2.282 507 V HA -0.217 3.907 4.120 0.006 0.000 0.249 507 V C 2.772 178.604 176.094 -0.436 0.000 1.057 507 V CA 2.439 64.515 62.300 -0.373 0.000 1.032 507 V CB -0.990 30.529 31.823 -0.507 0.000 0.645 507 V HN 0.533 nan 8.190 nan 0.000 0.447 508 R N 0.296 120.456 120.500 -0.567 0.000 2.080 508 R HA -0.209 4.135 4.340 0.006 0.000 0.236 508 R C 2.352 178.532 176.300 -0.200 0.000 1.137 508 R CA 1.926 57.803 56.100 -0.372 0.000 0.943 508 R CB -0.570 29.535 30.300 -0.324 0.000 0.846 508 R HN 0.476 nan 8.270 nan 0.000 0.431 509 A N 1.060 123.766 122.820 -0.190 0.000 1.883 509 A HA -0.207 4.116 4.320 0.006 0.000 0.217 509 A C 2.244 179.771 177.584 -0.096 0.000 1.186 509 A CA 1.770 53.732 52.037 -0.125 0.000 0.624 509 A CB -0.536 18.391 19.000 -0.122 0.000 0.822 509 A HN 0.410 nan 8.150 nan 0.000 0.444 510 R N -0.661 119.775 120.500 -0.106 0.000 2.073 510 R HA -0.063 4.280 4.340 0.006 0.000 0.234 510 R C 2.106 178.387 176.300 -0.032 0.000 1.134 510 R CA 1.596 57.657 56.100 -0.064 0.000 0.952 510 R CB -0.537 29.724 30.300 -0.065 0.000 0.850 510 R HN 0.538 nan 8.270 nan 0.000 0.433 511 L N 0.397 121.600 121.223 -0.034 0.000 2.046 511 L HA -0.197 4.147 4.340 0.006 0.000 0.208 511 L C 2.310 179.184 176.870 0.006 0.000 1.077 511 L CA 1.200 56.050 54.840 0.018 0.000 0.747 511 L CB -0.449 41.637 42.059 0.044 0.000 0.896 511 L HN 0.195 nan 8.230 nan 0.000 0.432 512 L N -0.991 120.217 121.223 -0.025 0.000 2.046 512 L HA -0.191 4.153 4.340 0.006 0.000 0.208 512 L C 2.487 179.348 176.870 -0.015 0.000 1.077 512 L CA 0.897 55.724 54.840 -0.021 0.000 0.747 512 L CB -0.575 41.459 42.059 -0.042 0.000 0.896 512 L HN 0.145 nan 8.230 nan 0.000 0.432 513 S N -0.576 115.111 115.700 -0.022 0.000 2.547 513 S HA -0.209 4.265 4.470 0.006 0.000 0.255 513 S C 1.429 176.028 174.600 -0.002 0.000 0.977 513 S CA 1.078 59.269 58.200 -0.016 0.000 0.960 513 S CB -0.282 62.906 63.200 -0.021 0.000 0.746 513 S HN 0.523 nan 8.310 nan 0.000 0.532 514 Q N -0.989 118.815 119.800 0.008 0.000 2.113 514 Q HA 0.316 4.660 4.340 0.006 0.000 0.225 514 Q C 0.849 176.863 176.000 0.023 0.000 0.786 514 Q CA 0.113 55.927 55.803 0.019 0.000 0.989 514 Q CB 1.266 30.023 28.738 0.032 0.000 1.174 514 Q HN 0.436 nan 8.270 nan 0.000 0.470 515 G N 0.973 109.784 108.800 0.019 0.000 2.806 515 G HA2 -0.085 3.879 3.960 0.006 0.000 0.236 515 G HA3 -0.085 3.879 3.960 0.006 0.000 0.236 515 G C 0.469 175.386 174.900 0.029 0.000 1.387 515 G CA -0.211 44.901 45.100 0.020 0.000 0.884 515 G HN 0.740 nan 8.290 nan 0.000 0.560 516 G N -0.860 107.955 108.800 0.026 0.000 2.591 516 G HA2 -0.167 3.797 3.960 0.006 0.000 0.278 516 G HA3 -0.167 3.797 3.960 0.006 0.000 0.278 516 G C 1.084 176.006 174.900 0.036 0.000 1.293 516 G CA 1.353 46.470 45.100 0.028 0.000 0.930 516 G HN 1.635 nan 8.290 nan 0.000 0.562 517 R N -0.009 120.515 120.500 0.040 0.000 2.117 517 R HA -0.028 4.316 4.340 0.006 0.000 0.243 517 R C 3.245 179.590 176.300 0.075 0.000 1.143 517 R CA 2.435 58.564 56.100 0.049 0.000 0.968 517 R CB -0.674 29.660 30.300 0.057 0.000 0.863 517 R HN 0.824 nan 8.270 nan 0.000 0.444 518 A N 1.394 124.267 122.820 0.088 0.000 1.892 518 A HA -0.206 4.117 4.320 0.006 0.000 0.218 518 A C 2.427 180.060 177.584 0.080 0.000 1.188 518 A CA 1.981 54.084 52.037 0.110 0.000 0.631 518 A CB -0.900 18.161 19.000 0.102 0.000 0.822 518 A HN 0.431 nan 8.150 nan 0.000 0.447 519 A N -1.392 121.460 122.820 0.054 0.000 1.930 519 A HA -0.041 4.282 4.320 0.006 0.000 0.217 519 A C 2.269 179.883 177.584 0.049 0.000 1.175 519 A CA 2.183 54.242 52.037 0.037 0.000 0.627 519 A CB -1.257 17.757 19.000 0.023 0.000 0.815 519 A HN 0.448 nan 8.150 nan 0.000 0.443 520 T N -0.616 113.976 114.554 0.064 0.000 2.720 520 T HA -0.219 4.134 4.350 0.006 0.000 0.268 520 T C 1.888 176.637 174.700 0.082 0.000 1.037 520 T CA 1.641 63.801 62.100 0.099 0.000 1.144 520 T CB -0.723 68.152 68.868 0.011 0.000 0.864 520 T HN 0.585 nan 8.240 nan 0.000 0.444 521 C N 1.211 120.531 119.300 0.034 0.000 2.432 521 C HA 0.029 4.492 4.460 0.006 0.000 0.277 521 C C 3.123 178.108 174.990 -0.009 0.000 1.249 521 C CA 0.589 59.589 59.018 -0.031 0.000 1.725 521 C CB -1.505 26.229 27.740 -0.010 0.000 2.028 521 C HN 0.736 nan 8.230 nan 0.000 0.477 522 G N -0.014 108.819 108.800 0.054 0.000 2.402 522 G HA2 -0.235 3.728 3.960 0.006 0.000 0.216 522 G HA3 -0.235 3.728 3.960 0.006 0.000 0.216 522 G C 1.592 176.514 174.900 0.036 0.000 1.162 522 G CA 1.093 46.256 45.100 0.104 0.000 0.777 522 G HN 0.640 nan 8.290 nan 0.000 0.539 523 K N -0.699 119.692 120.400 -0.016 0.000 1.991 523 K HA -0.126 4.198 4.320 0.006 0.000 0.212 523 K C 2.223 178.644 176.600 -0.299 0.000 1.049 523 K CA 1.490 57.700 56.287 -0.129 0.000 0.932 523 K CB -0.341 32.108 32.500 -0.086 0.000 0.717 523 K HN 0.369 nan 8.250 nan 0.000 0.441 524 Y N 0.684 120.775 120.300 -0.348 0.000 2.206 524 Y HA -0.010 4.544 4.550 0.006 0.000 0.292 524 Y C 2.035 177.546 175.900 -0.648 0.000 1.123 524 Y CA 0.930 58.598 58.100 -0.720 0.000 1.142 524 Y CB -0.164 37.578 38.460 -1.197 0.000 1.006 524 Y HN -0.017 nan 8.280 nan 0.000 0.518 525 L N -1.920 119.105 121.223 -0.330 0.000 2.141 525 L HA -0.144 4.200 4.340 0.006 0.000 0.209 525 L C 0.744 177.372 176.870 -0.403 0.000 1.094 525 L CA 1.278 55.912 54.840 -0.343 0.000 0.763 525 L CB -0.344 41.313 42.059 -0.669 0.000 0.908 525 L HN 0.158 nan 8.230 nan 0.000 0.437 526 F N -1.257 118.627 119.950 -0.110 0.000 2.735 526 F HA 0.171 4.701 4.527 0.006 0.000 0.304 526 F C 1.552 177.050 175.800 -0.504 0.000 1.119 526 F CA -0.430 57.334 58.000 -0.393 0.000 1.280 526 F CB -0.514 38.255 39.000 -0.386 0.000 0.994 526 F HN -0.067 nan 8.300 nan 0.000 0.520 527 N N 0.856 119.477 118.700 -0.132 0.000 2.309 527 N HA -0.186 4.557 4.740 0.006 0.000 0.182 527 N C 2.025 177.507 175.510 -0.047 0.000 1.018 527 N CA 1.571 54.557 53.050 -0.106 0.000 0.876 527 N CB -0.167 38.269 38.487 -0.086 0.000 0.972 527 N HN 0.491 nan 8.380 nan 0.000 0.434 528 W N -0.488 120.856 121.300 0.074 0.000 2.525 528 W HA 0.146 4.810 4.660 0.006 0.000 0.259 528 W C 1.243 177.824 176.519 0.103 0.000 1.253 528 W CA 0.640 58.037 57.345 0.087 0.000 1.262 528 W CB -0.806 28.722 29.460 0.113 0.000 1.122 528 W HN 0.053 nan 8.180 nan 0.000 0.607 529 A N 1.610 124.044 122.820 -0.643 0.000 2.072 529 A HA 0.149 4.473 4.320 0.006 0.000 0.216 529 A C 1.210 178.663 177.584 -0.218 0.000 1.156 529 A CA 1.010 52.679 52.037 -0.613 0.000 0.701 529 A CB -0.886 17.537 19.000 -0.963 0.000 0.816 529 A HN 0.113 nan 8.150 nan 0.000 0.458 530 V N -3.651 116.162 119.914 -0.169 0.000 2.686 530 V HA 0.712 4.835 4.120 0.006 0.000 0.295 530 V C 1.315 177.387 176.094 -0.038 0.000 1.057 530 V CA -0.082 62.161 62.300 -0.095 0.000 1.012 530 V CB 0.708 32.469 31.823 -0.104 0.000 1.006 530 V HN 0.397 nan 8.190 nan 0.000 0.477 531 K N 2.262 122.646 120.400 -0.026 0.000 2.025 531 K HA 0.059 4.383 4.320 0.006 0.000 0.207 531 K C 1.116 177.704 176.600 -0.021 0.000 1.049 531 K CA 1.817 58.098 56.287 -0.010 0.000 0.933 531 K CB -0.944 31.552 32.500 -0.007 0.000 0.714 531 K HN 0.900 nan 8.250 nan 0.000 0.438 532 T N 2.103 116.638 114.554 -0.031 0.000 2.743 532 T HA 0.473 4.827 4.350 0.006 0.000 0.292 532 T C -0.654 174.018 174.700 -0.046 0.000 0.972 532 T CA -0.740 61.339 62.100 -0.036 0.000 0.967 532 T CB 1.415 70.263 68.868 -0.034 0.000 0.926 532 T HN 0.164 nan 8.240 nan 0.000 0.459 533 K N 2.753 123.126 120.400 -0.045 0.000 2.350 533 K HA 0.351 4.675 4.320 0.006 0.000 0.279 533 K C 0.394 176.953 176.600 -0.068 0.000 1.027 533 K CA -0.388 55.867 56.287 -0.054 0.000 0.969 533 K CB 0.312 32.788 32.500 -0.040 0.000 0.954 533 K HN 0.517 nan 8.250 nan 0.000 0.474 534 L N 1.886 123.052 121.223 -0.095 0.000 2.473 534 L HA 0.110 4.453 4.340 0.006 0.000 0.265 534 L C 0.772 177.576 176.870 -0.111 0.000 1.243 534 L CA 0.009 54.782 54.840 -0.111 0.000 0.822 534 L CB 0.197 42.165 42.059 -0.152 0.000 1.101 534 L HN 0.622 nan 8.230 nan 0.000 0.507 535 K N 3.128 123.468 120.400 -0.100 0.000 2.310 535 K HA 0.447 4.770 4.320 0.006 0.000 0.290 535 K C -0.680 175.850 176.600 -0.116 0.000 1.077 535 K CA -0.194 56.047 56.287 -0.076 0.000 0.922 535 K CB -0.237 32.238 32.500 -0.042 0.000 1.057 535 K HN 0.478 nan 8.250 nan 0.000 0.479 536 L N 4.055 125.218 121.223 -0.101 0.000 2.259 536 L HA 0.347 4.691 4.340 0.006 0.000 0.288 536 L C 0.653 177.564 176.870 0.069 0.000 1.051 536 L CA -0.725 54.046 54.840 -0.115 0.000 0.824 536 L CB 1.008 43.011 42.059 -0.094 0.000 1.206 536 L HN 0.939 nan 8.230 nan 0.000 0.429 537 T N 0.621 115.257 114.554 0.136 0.000 2.932 537 T HA 0.568 4.921 4.350 0.006 0.000 0.289 537 T C -2.624 172.214 174.700 0.230 0.000 1.039 537 T CA -2.492 59.700 62.100 0.153 0.000 1.024 537 T CB 1.703 70.631 68.868 0.100 0.000 1.090 537 T HN 0.131 nan 8.240 nan 0.000 0.496 538 P HA 0.133 nan 4.420 nan 0.000 0.263 538 P C -0.485 176.854 177.300 0.066 0.000 1.175 538 P CA 0.111 63.275 63.100 0.107 0.000 0.761 538 P CB 0.110 31.847 31.700 0.062 0.000 0.794 539 I N 6.019 126.572 120.570 -0.028 0.000 2.441 539 I HA 0.158 4.332 4.170 0.006 0.000 0.287 539 I C -1.303 174.774 176.117 -0.066 0.000 1.049 539 I CA -1.911 59.312 61.300 -0.128 0.000 1.381 539 I CB 0.555 38.364 38.000 -0.319 0.000 1.409 539 I HN 0.304 nan 8.210 nan 0.000 0.523 543 S N 0.818 116.485 115.700 -0.055 0.000 2.493 543 S HA -0.101 4.372 4.470 0.006 0.000 0.243 543 S C 1.473 176.042 174.600 -0.053 0.000 0.991 543 S CA 1.292 59.463 58.200 -0.048 0.000 0.957 543 S CB -0.376 62.805 63.200 -0.032 0.000 0.756 543 S HN 0.549 nan 8.310 nan 0.000 0.521 544 R N 0.026 120.492 120.500 -0.057 0.000 2.362 544 R HA 0.370 4.714 4.340 0.006 0.000 0.227 544 R C -0.096 176.163 176.300 -0.068 0.000 0.905 544 R CA -0.124 55.944 56.100 -0.052 0.000 1.067 544 R CB 0.046 30.323 30.300 -0.039 0.000 1.078 544 R HN 0.390 nan 8.270 nan 0.000 0.516 545 L N 2.079 123.245 121.223 -0.096 0.000 2.367 545 L HA 0.076 4.420 4.340 0.006 0.000 0.275 545 L C 0.218 176.994 176.870 -0.157 0.000 1.129 545 L CA -0.244 54.517 54.840 -0.132 0.000 0.839 545 L CB 0.621 42.569 42.059 -0.184 0.000 1.133 545 L HN -0.143 nan 8.230 nan 0.000 0.453 546 D N 4.151 124.466 120.400 -0.142 0.000 2.453 546 D HA 0.097 4.741 4.640 0.006 0.000 0.223 546 D C 0.448 176.616 176.300 -0.220 0.000 1.183 546 D CA -0.145 53.779 54.000 -0.127 0.000 0.933 546 D CB 0.800 41.564 40.800 -0.060 0.000 1.038 546 D HN 0.276 nan 8.370 nan 0.000 0.513 547 L N 2.303 123.349 121.223 -0.295 0.000 2.640 547 L HA 0.075 4.419 4.340 0.006 0.000 0.230 547 L C 0.941 177.699 176.870 -0.187 0.000 1.123 547 L CA 0.134 54.673 54.840 -0.503 0.000 0.900 547 L CB -0.962 40.757 42.059 -0.567 0.000 1.146 547 L HN 0.300 nan 8.230 nan 0.000 0.484 548 S N -0.311 115.348 115.700 -0.069 0.000 2.549 548 S HA 0.374 4.848 4.470 0.006 0.000 0.286 548 S C 1.355 175.994 174.600 0.067 0.000 1.314 548 S CA 0.456 58.663 58.200 0.012 0.000 1.062 548 S CB 1.388 64.589 63.200 0.002 0.000 0.865 548 S HN 0.550 nan 8.310 nan 0.000 0.498 549 G N 2.412 111.259 108.800 0.078 0.000 2.217 549 G HA2 -0.250 3.714 3.960 0.006 0.000 0.246 549 G HA3 -0.250 3.714 3.960 0.006 0.000 0.246 549 G C 0.492 175.436 174.900 0.074 0.000 0.990 549 G CA 0.277 45.390 45.100 0.021 0.000 0.627 549 G HN 0.701 nan 8.290 nan 0.000 0.522 550 W N 0.128 121.285 121.300 -0.238 0.000 2.409 550 W HA 0.467 5.131 4.660 0.007 0.000 0.299 550 W C 1.050 177.134 176.519 -0.724 0.000 1.203 550 W CA 1.353 58.349 57.345 -0.581 0.000 1.298 550 W CB -0.177 28.743 29.460 -0.900 0.000 1.127 550 W HN 0.185 nan 8.180 nan 0.000 0.528 551 F N -0.760 119.367 119.950 0.295 0.000 2.523 551 F HA 0.296 4.826 4.527 0.006 0.000 0.322 551 F C 0.513 176.439 175.800 0.210 0.000 1.361 551 F CA -0.753 57.415 58.000 0.280 0.000 1.151 551 F CB -0.227 38.909 39.000 0.227 0.000 1.391 551 F HN -0.393 nan 8.300 nan 0.000 0.566 552 V N 0.057 120.160 119.914 0.315 0.000 2.743 552 V HA 0.589 4.713 4.120 0.006 0.000 0.237 552 V C 1.004 177.234 176.094 0.225 0.000 1.113 552 V CA 0.857 63.293 62.300 0.227 0.000 1.141 552 V CB 0.334 32.266 31.823 0.182 0.000 0.873 552 V HN 0.431 nan 8.190 nan 0.000 0.486 553 A N -0.877 122.049 122.820 0.178 0.000 2.583 553 A HA 0.795 5.119 4.320 0.006 0.000 0.289 553 A C -0.280 177.035 177.584 -0.448 0.000 1.151 553 A CA 0.068 52.084 52.037 -0.035 0.000 0.695 553 A CB 1.060 19.919 19.000 -0.236 0.000 1.290 553 A HN 0.392 nan 8.150 nan 0.000 0.419 554 G N -1.511 106.767 108.800 -0.870 0.000 2.389 554 G HA2 0.554 4.518 3.960 0.006 0.000 0.328 554 G HA3 0.554 4.518 3.960 0.006 0.000 0.328 554 G C -1.060 173.188 174.900 -1.087 0.000 1.133 554 G CA -0.127 44.126 45.100 -1.411 0.000 0.891 554 G HN 0.585 nan 8.290 nan 0.000 0.485 555 Y N 0.655 120.740 120.300 -0.359 0.000 2.712 555 Y HA 0.301 4.854 4.550 0.006 0.000 0.250 555 Y C 1.224 177.032 175.900 -0.154 0.000 1.101 555 Y CA -0.830 57.150 58.100 -0.200 0.000 1.118 555 Y CB 0.565 38.926 38.460 -0.164 0.000 1.203 555 Y HN 0.506 nan 8.280 nan 0.000 0.587 556 S N 0.876 116.529 115.700 -0.079 0.000 2.575 556 S HA 0.295 4.769 4.470 0.006 0.000 0.295 556 S C 1.462 176.078 174.600 0.026 0.000 1.267 556 S CA 1.455 59.648 58.200 -0.012 0.000 1.074 556 S CB -0.033 63.167 63.200 -0.000 0.000 0.829 556 S HN 1.096 nan 8.310 nan 0.000 0.497 557 G N 3.534 112.353 108.800 0.030 0.000 2.168 557 G HA2 -0.232 3.732 3.960 0.006 0.000 0.263 557 G HA3 -0.232 3.732 3.960 0.006 0.000 0.263 557 G C 0.749 175.676 174.900 0.044 0.000 0.977 557 G CA 0.431 45.554 45.100 0.039 0.000 0.659 557 G HN 1.353 nan 8.290 nan 0.000 0.533 558 G N -0.424 108.404 108.800 0.046 0.000 3.088 558 G HA2 0.400 4.364 3.960 0.006 0.000 0.217 558 G HA3 0.400 4.364 3.960 0.006 0.000 0.217 558 G C 0.430 175.339 174.900 0.015 0.000 1.159 558 G CA 1.048 46.191 45.100 0.071 0.000 0.760 558 G HN 1.123 nan 8.290 nan 0.000 0.550 559 D N -0.350 120.028 120.400 -0.037 0.000 2.705 559 D HA -0.162 4.482 4.640 0.006 0.000 0.240 559 D C -0.292 175.931 176.300 -0.128 0.000 1.137 559 D CA 0.381 54.335 54.000 -0.077 0.000 0.677 559 D CB -1.114 39.659 40.800 -0.045 0.000 1.049 559 D HN 0.094 nan 8.370 nan 0.000 0.427 560 I N 1.728 122.171 120.570 -0.211 0.000 2.436 560 I HA 0.354 4.528 4.170 0.006 0.000 0.289 560 I C -0.324 175.540 176.117 -0.422 0.000 1.010 560 I CA -0.827 60.234 61.300 -0.399 0.000 1.098 560 I CB 1.387 38.973 38.000 -0.690 0.000 1.266 560 I HN 0.143 nan 8.210 nan 0.000 0.434 561 Y N 5.582 125.569 120.300 -0.522 0.000 2.376 561 Y HA 0.418 4.973 4.550 0.007 0.000 0.340 561 Y C 0.016 175.671 175.900 -0.409 0.000 0.965 561 Y CA -0.252 57.574 58.100 -0.458 0.000 1.078 561 Y CB 1.470 39.753 38.460 -0.296 0.000 1.193 561 Y HN 0.641 nan 8.280 nan 0.000 0.452 562 H N 2.359 120.833 119.070 -0.993 0.000 2.767 562 H HA 0.284 4.844 4.556 0.007 0.000 0.260 562 H C 0.085 175.048 175.328 -0.609 0.000 1.172 562 H CA -0.246 55.357 56.048 -0.742 0.000 1.048 562 H CB 0.986 30.197 29.762 -0.918 0.000 1.697 562 H HN 0.551 nan 8.280 nan 0.000 0.606 563 S N 0.000 115.213 115.700 -0.812 0.000 2.498 563 S HA 0.000 4.474 4.470 0.006 0.000 0.327 563 S CA 0.000 57.938 58.200 -0.436 0.000 1.107 563 S CB 0.000 62.869 63.200 -0.552 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517