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 2clf_1_B DATA FIRST_RESID 2 DATA SEQUENCE TTLLNPYFGE FGGMYVPQIL MPALNQLEEA FVRAQKDPEF QAQFADLLKN DATA SEQUENCE YAGRPTALTK CQNITAGTRT TLYLKREDLL HGGAHKTNQV LGQALLAKRM DATA SEQUENCE GKSEIIAETG AGQHGVASAL ASALLGLKCR IYMGAKDVER QSPNVFRMRL DATA SEQUENCE MGAEVIPVHS GSATLKDACN EALRDWSGSY ETAHYMLGTA AGPHPYPTIV DATA SEQUENCE REFQRMIGEE TKAQILDKEG RLPDAVIACV GGGSNAIGMF ADFINDTSVG DATA SEQUENCE LIGVEPGGHG IETGEHGAPL KHGRVGIYFG MKAPMMQTAD GQIEESYSIS DATA SEQUENCE AGLDFPSVGP QHAYLNSIGR ADYVSITDDE ALEAFKTLCR HEGIIPALES DATA SEQUENCE SHALAHALKM MREQPEKEQL LVVNLSGRGD KDIFTVHDIL KARGE 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.693 174.700 -0.012 0.000 1.109 2 T CA 0.000 62.088 62.100 -0.019 0.000 1.349 2 T CB 0.000 68.857 68.868 -0.018 0.000 0.612 3 T N -0.537 114.009 114.554 -0.013 0.000 2.883 3 T HA 0.668 5.018 4.350 -0.000 0.000 0.296 3 T C 1.009 175.714 174.700 0.008 0.000 1.117 3 T CA -1.134 60.972 62.100 0.010 0.000 1.006 3 T CB 1.397 70.274 68.868 0.014 0.000 1.191 3 T HN 0.604 nan 8.240 nan 0.000 0.508 4 L N -0.252 120.994 121.223 0.038 0.000 2.209 4 L HA 0.330 4.670 4.340 -0.000 0.000 0.207 4 L C 0.413 177.299 176.870 0.026 0.000 1.094 4 L CA 0.687 55.544 54.840 0.027 0.000 0.790 4 L CB -0.287 41.792 42.059 0.034 0.000 0.932 4 L HN 0.417 nan 8.230 nan 0.000 0.447 5 L N -1.027 120.232 121.223 0.061 0.000 2.319 5 L HA 0.349 4.689 4.340 -0.000 0.000 0.267 5 L C -0.160 176.609 176.870 -0.170 0.000 1.011 5 L CA -0.915 53.934 54.840 0.016 0.000 0.818 5 L CB 1.216 43.369 42.059 0.156 0.000 1.316 5 L HN -0.096 nan 8.230 nan 0.000 0.432 6 N N 1.780 120.347 118.700 -0.223 0.000 2.452 6 N HA 0.111 4.851 4.740 -0.000 0.000 0.266 6 N C -2.008 173.127 175.510 -0.625 0.000 1.209 6 N CA -1.313 51.540 53.050 -0.329 0.000 0.929 6 N CB 1.302 39.627 38.487 -0.270 0.000 1.063 6 N HN 0.286 nan 8.380 nan 0.000 0.472 7 P HA 0.077 nan 4.420 nan 0.000 0.241 7 P C -0.776 176.132 177.300 -0.654 0.000 1.191 7 P CA 0.788 63.331 63.100 -0.929 0.000 0.771 7 P CB 0.079 31.379 31.700 -0.667 0.000 0.929 8 Y N -1.323 118.707 120.300 -0.449 0.000 2.509 8 Y HA 0.508 5.058 4.550 -0.000 0.000 0.341 8 Y C -0.020 175.512 175.900 -0.612 0.000 1.038 8 Y CA -0.922 56.978 58.100 -0.333 0.000 1.089 8 Y CB 1.228 39.577 38.460 -0.186 0.000 1.241 8 Y HN -0.306 nan 8.280 nan 0.000 0.468 9 F N 1.938 121.924 119.950 0.060 0.000 2.443 9 F HA 0.520 5.047 4.527 -0.000 0.000 0.369 9 F C 0.809 176.464 175.800 -0.242 0.000 1.090 9 F CA -0.369 57.476 58.000 -0.258 0.000 1.129 9 F CB 0.847 39.831 39.000 -0.027 0.000 1.367 9 F HN 0.771 nan 8.300 nan 0.000 0.465 10 G N 2.723 111.337 108.800 -0.311 0.000 2.561 10 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.289 10 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.289 10 G C 1.169 176.048 174.900 -0.034 0.000 1.169 10 G CA 0.500 45.587 45.100 -0.023 0.000 0.980 10 G HN 0.648 nan 8.290 nan 0.000 0.550 11 E N 0.181 120.267 120.200 -0.190 0.000 2.442 11 E HA 0.268 4.618 4.350 -0.000 0.000 0.195 11 E C 0.389 176.896 176.600 -0.155 0.000 1.030 11 E CA 0.185 56.379 56.400 -0.343 0.000 0.869 11 E CB 0.031 29.395 29.700 -0.559 0.000 0.857 11 E HN 0.370 nan 8.360 nan 0.000 0.505 12 F N 1.131 121.311 119.950 0.384 0.000 2.379 12 F HA 0.566 5.093 4.527 -0.000 0.000 0.332 12 F C 1.337 177.382 175.800 0.408 0.000 1.096 12 F CA 0.428 58.662 58.000 0.389 0.000 1.105 12 F CB 1.592 40.775 39.000 0.305 0.000 1.189 12 F HN 0.156 nan 8.300 nan 0.000 0.515 13 G N 0.389 109.453 108.800 0.440 0.000 2.545 13 G HA2 0.444 4.404 3.960 -0.000 0.000 0.211 13 G HA3 0.444 4.404 3.960 -0.000 0.000 0.211 13 G C -0.087 174.700 174.900 -0.188 0.000 1.167 13 G CA -0.133 45.045 45.100 0.131 0.000 1.151 13 G HN 1.940 nan 8.290 nan 0.000 0.581 14 G N -1.377 106.946 108.800 -0.795 0.000 2.660 14 G HA2 0.344 4.304 3.960 -0.000 0.000 0.247 14 G HA3 0.344 4.304 3.960 -0.000 0.000 0.247 14 G C -0.147 174.622 174.900 -0.219 0.000 1.328 14 G CA 0.458 45.090 45.100 -0.779 0.000 0.884 14 G HN 1.633 nan 8.290 nan 0.000 0.531 15 M N 0.288 119.719 119.600 -0.283 0.000 2.389 15 M HA 0.329 4.809 4.480 -0.000 0.000 0.206 15 M C -1.159 175.041 176.300 -0.165 0.000 0.976 15 M CA -0.117 55.124 55.300 -0.099 0.000 0.648 15 M CB 1.276 33.838 32.600 -0.064 0.000 1.474 15 M HN 0.409 nan 8.290 nan 0.000 0.398 16 Y N 1.818 122.165 120.300 0.077 0.000 2.724 16 Y HA 0.409 4.959 4.550 -0.000 0.000 0.332 16 Y C 0.359 176.309 175.900 0.083 0.000 1.276 16 Y CA -0.731 57.420 58.100 0.085 0.000 1.597 16 Y CB -0.023 38.498 38.460 0.102 0.000 1.584 16 Y HN 0.337 nan 8.280 nan 0.000 0.478 17 V N -0.970 119.027 119.914 0.138 0.000 3.102 17 V HA 0.756 4.876 4.120 -0.000 0.000 0.312 17 V C -2.680 173.451 176.094 0.061 0.000 1.135 17 V CA -3.318 59.048 62.300 0.110 0.000 1.022 17 V CB 1.671 33.554 31.823 0.100 0.000 1.056 17 V HN 0.118 nan 8.190 nan 0.000 0.436 18 P HA 0.189 nan 4.420 nan 0.000 0.267 18 P C 0.440 177.734 177.300 -0.009 0.000 1.200 18 P CA 0.075 63.188 63.100 0.021 0.000 0.772 18 P CB 0.588 32.297 31.700 0.016 0.000 0.855 19 Q N 2.500 122.293 119.800 -0.012 0.000 2.173 19 Q HA -0.204 4.136 4.340 -0.000 0.000 0.208 19 Q C 1.608 177.574 176.000 -0.057 0.000 0.989 19 Q CA 1.611 57.396 55.803 -0.030 0.000 0.872 19 Q CB -0.881 27.846 28.738 -0.019 0.000 0.909 19 Q HN 0.579 nan 8.270 nan 0.000 0.420 20 I N -0.770 119.770 120.570 -0.051 0.000 2.423 20 I HA -0.230 3.939 4.170 -0.000 0.000 0.254 20 I C 1.222 177.235 176.117 -0.174 0.000 1.151 20 I CA 0.953 62.212 61.300 -0.070 0.000 1.421 20 I CB 0.140 38.122 38.000 -0.030 0.000 1.079 20 I HN 0.274 nan 8.210 nan 0.000 0.431 21 L N -0.172 120.938 121.223 -0.188 0.000 2.567 21 L HA -0.026 4.314 4.340 -0.000 0.000 0.225 21 L C 2.243 178.911 176.870 -0.336 0.000 1.119 21 L CA -0.165 54.475 54.840 -0.333 0.000 0.871 21 L CB -0.139 41.813 42.059 -0.178 0.000 1.036 21 L HN 0.233 nan 8.230 nan 0.000 0.459 22 M N 0.020 119.495 119.600 -0.208 0.000 2.149 22 M HA -0.119 4.361 4.480 -0.000 0.000 0.261 22 M C -0.244 175.930 176.300 -0.211 0.000 1.064 22 M CA 1.933 57.139 55.300 -0.157 0.000 1.102 22 M CB -1.999 30.544 32.600 -0.095 0.000 1.369 22 M HN 0.024 nan 8.290 nan 0.000 0.408 23 P HA -0.068 nan 4.420 nan 0.000 0.217 23 P C 1.307 178.386 177.300 -0.368 0.000 1.150 23 P CA 1.844 64.789 63.100 -0.258 0.000 0.832 23 P CB -0.150 31.425 31.700 -0.208 0.000 0.787 24 A N -0.667 121.707 122.820 -0.744 0.000 1.898 24 A HA -0.147 4.172 4.320 -0.000 0.000 0.216 24 A C 2.168 179.619 177.584 -0.222 0.000 1.181 24 A CA 1.361 52.957 52.037 -0.735 0.000 0.620 24 A CB -1.586 16.475 19.000 -1.566 0.000 0.819 24 A HN 0.106 nan 8.150 nan 0.000 0.442 25 L N -0.636 120.490 121.223 -0.161 0.000 2.056 25 L HA -0.195 4.145 4.340 -0.000 0.000 0.207 25 L C 2.319 179.165 176.870 -0.041 0.000 1.078 25 L CA 1.640 56.483 54.840 0.006 0.000 0.749 25 L CB -0.724 41.354 42.059 0.032 0.000 0.901 25 L HN 0.493 nan 8.230 nan 0.000 0.433 26 N N -0.560 118.105 118.700 -0.058 0.000 2.120 26 N HA -0.251 4.489 4.740 -0.000 0.000 0.188 26 N C 1.899 177.398 175.510 -0.019 0.000 1.024 26 N CA 0.901 53.931 53.050 -0.033 0.000 0.852 26 N CB -0.051 38.415 38.487 -0.035 0.000 1.003 26 N HN 0.371 nan 8.380 nan 0.000 0.424 27 Q N 0.927 120.718 119.800 -0.015 0.000 2.050 27 Q HA -0.180 4.159 4.340 -0.000 0.000 0.202 27 Q C 2.164 178.185 176.000 0.034 0.000 0.980 27 Q CA 1.162 56.980 55.803 0.025 0.000 0.840 27 Q CB -0.075 28.702 28.738 0.064 0.000 0.898 27 Q HN 0.294 nan 8.270 nan 0.000 0.424 28 L N 1.372 122.623 121.223 0.046 0.000 2.017 28 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 28 L C 2.265 179.109 176.870 -0.044 0.000 1.073 28 L CA 2.291 57.144 54.840 0.022 0.000 0.745 28 L CB -0.703 41.374 42.059 0.030 0.000 0.894 28 L HN 0.364 nan 8.230 nan 0.000 0.432 29 E N -0.621 119.532 120.200 -0.078 0.000 2.077 29 E HA -0.317 4.033 4.350 -0.000 0.000 0.193 29 E C 2.116 178.734 176.600 0.030 0.000 0.989 29 E CA 1.561 57.925 56.400 -0.060 0.000 0.800 29 E CB -0.121 29.539 29.700 -0.066 0.000 0.746 29 E HN 0.702 nan 8.360 nan 0.000 0.452 30 E N -0.196 120.009 120.200 0.008 0.000 2.077 30 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 30 E C 1.888 178.476 176.600 -0.021 0.000 0.989 30 E CA 1.081 57.480 56.400 -0.002 0.000 0.800 30 E CB -0.139 29.559 29.700 -0.003 0.000 0.746 30 E HN 0.335 nan 8.360 nan 0.000 0.452 31 A N 0.419 123.232 122.820 -0.011 0.000 1.902 31 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 31 A C 2.002 179.535 177.584 -0.084 0.000 1.181 31 A CA 1.276 53.288 52.037 -0.041 0.000 0.623 31 A CB -0.839 18.151 19.000 -0.017 0.000 0.818 31 A HN 0.518 nan 8.150 nan 0.000 0.443 32 F N 0.836 120.670 119.950 -0.194 0.000 2.102 32 F HA -0.143 4.383 4.527 -0.000 0.000 0.298 32 F C 2.210 177.882 175.800 -0.214 0.000 1.105 32 F CA 1.924 59.779 58.000 -0.242 0.000 1.239 32 F CB -0.519 38.324 39.000 -0.262 0.000 0.991 32 F HN 0.017 nan 8.300 nan 0.000 0.474 33 V N 1.125 120.882 119.914 -0.262 0.000 2.332 33 V HA -0.322 3.798 4.120 -0.000 0.000 0.248 33 V C 2.630 178.541 176.094 -0.305 0.000 1.055 33 V CA 2.373 64.480 62.300 -0.321 0.000 1.038 33 V CB -0.841 30.917 31.823 -0.109 0.000 0.651 33 V HN 0.354 nan 8.190 nan 0.000 0.450 34 R N 0.160 120.526 120.500 -0.224 0.000 2.081 34 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 34 R C 2.293 178.437 176.300 -0.260 0.000 1.131 34 R CA 1.641 57.629 56.100 -0.186 0.000 0.960 34 R CB -0.495 29.730 30.300 -0.125 0.000 0.856 34 R HN 0.475 nan 8.270 nan 0.000 0.436 35 A N 0.518 123.089 122.820 -0.416 0.000 1.933 35 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 35 A C 1.982 179.254 177.584 -0.520 0.000 1.175 35 A CA 1.168 52.797 52.037 -0.679 0.000 0.628 35 A CB -0.367 17.827 19.000 -1.342 0.000 0.814 35 A HN 0.373 nan 8.150 nan 0.000 0.444 36 Q N -0.123 119.366 119.800 -0.519 0.000 2.291 36 Q HA -0.142 4.198 4.340 -0.000 0.000 0.205 36 Q C 1.500 177.406 176.000 -0.158 0.000 0.970 36 Q CA 1.697 57.296 55.803 -0.340 0.000 0.876 36 Q CB -0.187 28.217 28.738 -0.556 0.000 0.935 36 Q HN 0.963 nan 8.270 nan 0.000 0.455 37 K N -0.053 120.254 120.400 -0.156 0.000 2.399 37 K HA 0.126 4.446 4.320 -0.000 0.000 0.204 37 K C -0.257 176.321 176.600 -0.036 0.000 1.023 37 K CA -0.137 56.104 56.287 -0.077 0.000 1.127 37 K CB 0.515 32.967 32.500 -0.081 0.000 0.856 37 K HN -0.245 nan 8.250 nan 0.000 0.514 38 D N 2.112 122.498 120.400 -0.022 0.000 2.412 38 D HA 0.208 4.848 4.640 -0.000 0.000 0.224 38 D C -1.907 174.452 176.300 0.099 0.000 1.093 38 D CA -2.614 51.406 54.000 0.034 0.000 0.850 38 D CB 1.974 42.798 40.800 0.039 0.000 1.046 38 D HN -0.107 nan 8.370 nan 0.000 0.507 39 P HA -0.150 nan 4.420 nan 0.000 0.217 39 P C 1.071 178.423 177.300 0.088 0.000 1.148 39 P CA 0.910 64.054 63.100 0.073 0.000 0.828 39 P CB 0.380 32.105 31.700 0.043 0.000 0.783 40 E N -1.484 118.769 120.200 0.089 0.000 2.072 40 E HA -0.192 4.158 4.350 -0.000 0.000 0.191 40 E C 1.788 178.450 176.600 0.102 0.000 0.985 40 E CA 0.704 57.150 56.400 0.076 0.000 0.801 40 E CB -0.505 29.234 29.700 0.064 0.000 0.750 40 E HN 0.137 nan 8.360 nan 0.000 0.452 41 F N 1.564 121.522 119.950 0.013 0.000 2.146 41 F HA -0.190 4.337 4.527 -0.000 0.000 0.298 41 F C 2.322 178.162 175.800 0.066 0.000 1.096 41 F CA 1.369 59.379 58.000 0.017 0.000 1.275 41 F CB -0.056 38.945 39.000 0.001 0.000 1.008 41 F HN 0.013 nan 8.300 nan 0.000 0.480 42 Q N 0.643 120.629 119.800 0.310 0.000 2.124 42 Q HA -0.143 4.196 4.340 -0.000 0.000 0.202 42 Q C 2.508 178.560 176.000 0.087 0.000 0.977 42 Q CA 1.528 57.478 55.803 0.245 0.000 0.850 42 Q CB -1.196 27.668 28.738 0.210 0.000 0.901 42 Q HN 0.553 nan 8.270 nan 0.000 0.429 43 A N 0.811 123.657 122.820 0.045 0.000 1.898 43 A HA -0.236 4.084 4.320 -0.000 0.000 0.216 43 A C 2.115 179.678 177.584 -0.035 0.000 1.181 43 A CA 1.706 53.744 52.037 0.002 0.000 0.620 43 A CB -0.545 18.458 19.000 0.005 0.000 0.819 43 A HN 0.433 nan 8.150 nan 0.000 0.442 44 Q N -1.845 117.911 119.800 -0.074 0.000 2.079 44 Q HA -0.165 4.175 4.340 -0.000 0.000 0.200 44 Q C 1.854 177.792 176.000 -0.102 0.000 0.974 44 Q CA 1.681 57.413 55.803 -0.118 0.000 0.840 44 Q CB -0.291 28.336 28.738 -0.186 0.000 0.898 44 Q HN 0.564 nan 8.270 nan 0.000 0.430 45 F N 0.858 120.578 119.950 -0.383 0.000 2.102 45 F HA -0.038 4.488 4.527 -0.000 0.000 0.298 45 F C 2.036 177.726 175.800 -0.184 0.000 1.105 45 F CA 1.289 59.070 58.000 -0.365 0.000 1.239 45 F CB -1.008 37.722 39.000 -0.450 0.000 0.991 45 F HN 0.174 nan 8.300 nan 0.000 0.474 46 A N -0.184 122.559 122.820 -0.129 0.000 1.933 46 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 46 A C 1.970 179.482 177.584 -0.120 0.000 1.175 46 A CA 2.012 53.934 52.037 -0.191 0.000 0.628 46 A CB -1.262 17.673 19.000 -0.107 0.000 0.814 46 A HN 0.482 nan 8.150 nan 0.000 0.444 47 D N -0.263 120.095 120.400 -0.071 0.000 2.117 47 D HA -0.126 4.513 4.640 -0.000 0.000 0.197 47 D C 1.833 178.116 176.300 -0.028 0.000 0.987 47 D CA 1.335 55.307 54.000 -0.047 0.000 0.829 47 D CB -0.188 40.587 40.800 -0.042 0.000 0.961 47 D HN 0.425 nan 8.370 nan 0.000 0.460 48 L N -0.129 121.082 121.223 -0.021 0.000 2.056 48 L HA -0.114 4.225 4.340 -0.000 0.000 0.207 48 L C 2.626 179.538 176.870 0.069 0.000 1.078 48 L CA 0.626 55.484 54.840 0.031 0.000 0.749 48 L CB -0.455 41.619 42.059 0.024 0.000 0.901 48 L HN 0.198 nan 8.230 nan 0.000 0.433 49 L N -0.073 121.130 121.223 -0.034 0.000 2.042 49 L HA -0.252 4.087 4.340 -0.000 0.000 0.210 49 L C 2.725 179.569 176.870 -0.042 0.000 1.076 49 L CA 1.501 56.297 54.840 -0.073 0.000 0.749 49 L CB -0.484 41.414 42.059 -0.269 0.000 0.893 49 L HN 0.288 nan 8.230 nan 0.000 0.432 50 K N 0.097 120.466 120.400 -0.052 0.000 2.005 50 K HA -0.102 4.218 4.320 -0.000 0.000 0.206 50 K C 1.739 178.328 176.600 -0.019 0.000 1.044 50 K CA 1.364 57.628 56.287 -0.039 0.000 0.942 50 K CB 0.068 32.541 32.500 -0.045 0.000 0.727 50 K HN 0.257 nan 8.250 nan 0.000 0.439 51 N N -0.623 118.077 118.700 -0.000 0.000 2.422 51 N HA -0.087 4.653 4.740 -0.000 0.000 0.181 51 N C 1.088 176.623 175.510 0.041 0.000 1.080 51 N CA 0.667 53.723 53.050 0.009 0.000 0.893 51 N CB 0.271 38.763 38.487 0.009 0.000 0.973 51 N HN 0.316 nan 8.380 nan 0.000 0.456 52 Y N 0.535 120.783 120.300 -0.086 0.000 2.594 52 Y HA 0.413 4.963 4.550 -0.000 0.000 0.283 52 Y C 2.100 177.915 175.900 -0.142 0.000 1.140 52 Y CA 0.523 58.547 58.100 -0.127 0.000 1.261 52 Y CB -0.247 38.153 38.460 -0.100 0.000 1.358 52 Y HN -0.064 nan 8.280 nan 0.000 0.513 53 A N -0.242 122.544 122.820 -0.056 0.000 2.021 53 A HA 0.354 4.674 4.320 -0.000 0.000 0.216 53 A C 1.777 179.326 177.584 -0.058 0.000 1.163 53 A CA 1.120 53.115 52.037 -0.069 0.000 0.676 53 A CB -1.065 17.983 19.000 0.081 0.000 0.818 53 A HN 1.081 nan 8.150 nan 0.000 0.453 54 G N -0.971 107.795 108.800 -0.057 0.000 2.134 54 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.209 54 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.209 54 G C 0.144 175.030 174.900 -0.024 0.000 0.993 54 G CA 0.004 45.078 45.100 -0.043 0.000 0.669 54 G HN 0.549 nan 8.290 nan 0.000 0.519 55 R N 0.849 121.333 120.500 -0.027 0.000 2.582 55 R HA 0.428 4.767 4.340 -0.000 0.000 0.271 55 R C -1.981 174.300 176.300 -0.031 0.000 1.078 55 R CA -1.077 55.006 56.100 -0.029 0.000 1.127 55 R CB 0.680 30.949 30.300 -0.051 0.000 1.038 55 R HN 0.234 nan 8.270 nan 0.000 0.500 56 P HA 0.044 nan 4.420 nan 0.000 0.277 56 P C -0.481 176.818 177.300 -0.001 0.000 1.240 56 P CA -0.327 62.764 63.100 -0.014 0.000 0.798 56 P CB 0.893 32.585 31.700 -0.012 0.000 0.979 57 T N -1.421 113.138 114.554 0.010 0.000 2.922 57 T HA 0.597 4.947 4.350 -0.000 0.000 0.285 57 T C 0.483 175.199 174.700 0.026 0.000 1.005 57 T CA -0.780 61.332 62.100 0.020 0.000 1.061 57 T CB 0.711 69.598 68.868 0.031 0.000 1.007 57 T HN 0.538 nan 8.240 nan 0.000 0.502 58 A N 1.510 124.348 122.820 0.030 0.000 2.386 58 A HA 0.560 4.880 4.320 -0.000 0.000 0.246 58 A C -0.194 177.426 177.584 0.060 0.000 1.089 58 A CA -0.654 51.407 52.037 0.041 0.000 0.790 58 A CB -0.104 18.919 19.000 0.039 0.000 1.042 58 A HN 0.904 nan 8.150 nan 0.000 0.497 59 L N 1.300 122.572 121.223 0.081 0.000 2.353 59 L HA 0.450 4.790 4.340 -0.000 0.000 0.270 59 L C -0.237 176.760 176.870 0.212 0.000 1.003 59 L CA 0.279 55.196 54.840 0.128 0.000 0.862 59 L CB 1.330 43.431 42.059 0.071 0.000 1.221 59 L HN 0.618 nan 8.230 nan 0.000 0.430 60 T N 4.187 118.850 114.554 0.182 0.000 2.771 60 T HA 0.262 4.612 4.350 -0.000 0.000 0.291 60 T C -0.146 174.580 174.700 0.043 0.000 0.954 60 T CA -0.379 61.792 62.100 0.118 0.000 1.045 60 T CB 0.838 69.733 68.868 0.045 0.000 0.917 60 T HN 0.436 nan 8.240 nan 0.000 0.484 61 K N 2.277 122.604 120.400 -0.122 0.000 2.297 61 K HA 0.297 4.617 4.320 -0.000 0.000 0.286 61 K C -0.868 175.562 176.600 -0.283 0.000 1.053 61 K CA -0.582 55.373 56.287 -0.553 0.000 0.940 61 K CB 0.292 32.409 32.500 -0.638 0.000 1.019 61 K HN 0.618 nan 8.250 nan 0.000 0.475 62 C N 4.925 124.063 119.300 -0.270 0.000 2.146 62 C HA 0.233 4.693 4.460 -0.000 0.000 0.338 62 C C 1.491 176.392 174.990 -0.148 0.000 1.074 62 C CA -0.524 58.404 59.018 -0.151 0.000 1.527 62 C CB -0.076 27.603 27.740 -0.103 0.000 1.915 62 C HN 1.034 nan 8.230 nan 0.000 0.453 63 Q N 1.933 121.657 119.800 -0.126 0.000 2.137 63 Q HA -0.125 4.215 4.340 -0.000 0.000 0.198 63 Q C 1.622 177.574 176.000 -0.080 0.000 0.960 63 Q CA 1.885 57.626 55.803 -0.104 0.000 0.847 63 Q CB -0.767 27.919 28.738 -0.086 0.000 0.915 63 Q HN 0.884 nan 8.270 nan 0.000 0.448 64 N N -0.059 118.606 118.700 -0.060 0.000 2.084 64 N HA -0.020 4.720 4.740 -0.000 0.000 0.190 64 N C 1.818 177.258 175.510 -0.118 0.000 1.030 64 N CA 1.215 54.236 53.050 -0.049 0.000 0.849 64 N CB -0.095 38.405 38.487 0.021 0.000 1.012 64 N HN 0.468 nan 8.380 nan 0.000 0.423 65 I N 0.954 121.454 120.570 -0.116 0.000 2.454 65 I HA -0.188 3.982 4.170 -0.000 0.000 0.254 65 I C 1.677 177.701 176.117 -0.156 0.000 1.156 65 I CA 1.085 62.280 61.300 -0.174 0.000 1.433 65 I CB -0.077 37.865 38.000 -0.096 0.000 1.082 65 I HN 0.316 nan 8.210 nan 0.000 0.432 66 T N -1.623 112.860 114.554 -0.119 0.000 3.086 66 T HA 0.391 4.741 4.350 -0.000 0.000 0.250 66 T C 0.802 175.447 174.700 -0.090 0.000 1.074 66 T CA 0.038 62.078 62.100 -0.100 0.000 0.988 66 T CB -0.261 68.554 68.868 -0.088 0.000 0.988 66 T HN 0.228 nan 8.240 nan 0.000 0.530 67 A N 0.741 123.502 122.820 -0.098 0.000 2.565 67 A HA 0.487 4.806 4.320 -0.000 0.000 0.237 67 A C 1.745 179.287 177.584 -0.070 0.000 1.053 67 A CA 0.410 52.401 52.037 -0.078 0.000 0.755 67 A CB -1.105 17.849 19.000 -0.078 0.000 0.980 67 A HN 1.549 nan 8.150 nan 0.000 0.506 68 G N 1.206 109.974 108.800 -0.053 0.000 2.179 68 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.260 68 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.260 68 G C 0.532 175.406 174.900 -0.043 0.000 0.977 68 G CA 1.233 46.306 45.100 -0.045 0.000 0.641 68 G HN 2.450 nan 8.290 nan 0.000 0.533 69 T N -3.610 110.916 114.554 -0.047 0.000 2.888 69 T HA 0.721 5.071 4.350 -0.000 0.000 0.288 69 T C 0.605 175.282 174.700 -0.038 0.000 1.063 69 T CA -0.580 61.494 62.100 -0.043 0.000 1.010 69 T CB 1.659 70.496 68.868 -0.051 0.000 1.214 69 T HN 0.116 nan 8.240 nan 0.000 0.533 70 R N 0.132 120.612 120.500 -0.033 0.000 2.515 70 R HA 0.254 4.594 4.340 -0.000 0.000 0.294 70 R C -0.140 176.144 176.300 -0.027 0.000 1.021 70 R CA -0.250 55.834 56.100 -0.027 0.000 1.081 70 R CB 0.206 30.494 30.300 -0.021 0.000 1.263 70 R HN 0.556 nan 8.270 nan 0.000 0.557 71 T N 0.946 115.479 114.554 -0.035 0.000 2.837 71 T HA 0.218 4.567 4.350 -0.000 0.000 0.285 71 T C 0.068 174.746 174.700 -0.037 0.000 0.984 71 T CA 0.161 62.241 62.100 -0.034 0.000 1.049 71 T CB 1.922 70.763 68.868 -0.044 0.000 0.947 71 T HN -0.090 nan 8.240 nan 0.000 0.472 72 T N 3.937 118.479 114.554 -0.020 0.000 2.786 72 T HA 0.541 4.891 4.350 -0.000 0.000 0.283 72 T C -0.896 173.793 174.700 -0.019 0.000 0.992 72 T CA -0.545 61.535 62.100 -0.032 0.000 0.954 72 T CB 0.791 69.674 68.868 0.025 0.000 0.934 72 T HN 0.301 nan 8.240 nan 0.000 0.440 73 L N 4.509 125.672 121.223 -0.100 0.000 2.341 73 L HA 0.664 5.004 4.340 -0.000 0.000 0.278 73 L C -1.768 175.007 176.870 -0.159 0.000 1.005 73 L CA -0.638 54.166 54.840 -0.061 0.000 0.818 73 L CB 0.902 42.925 42.059 -0.059 0.000 1.259 73 L HN 0.587 nan 8.230 nan 0.000 0.418 74 Y N 4.627 124.921 120.300 -0.009 0.000 2.468 74 Y HA 0.656 5.206 4.550 -0.000 0.000 0.342 74 Y C -0.641 175.261 175.900 0.004 0.000 1.021 74 Y CA -0.629 57.471 58.100 -0.000 0.000 1.079 74 Y CB 2.049 40.512 38.460 0.005 0.000 1.226 74 Y HN 0.393 nan 8.280 nan 0.000 0.460 75 L N 3.515 124.835 121.223 0.162 0.000 2.325 75 L HA 0.458 4.798 4.340 -0.000 0.000 0.281 75 L C -0.595 176.340 176.870 0.109 0.000 1.004 75 L CA -1.217 53.684 54.840 0.101 0.000 0.823 75 L CB 1.565 43.654 42.059 0.051 0.000 1.236 75 L HN 0.386 nan 8.230 nan 0.000 0.415 76 K N 3.749 124.204 120.400 0.092 0.000 2.316 76 K HA 0.160 4.480 4.320 -0.000 0.000 0.289 76 K C 0.008 176.646 176.600 0.063 0.000 1.070 76 K CA -0.150 56.186 56.287 0.081 0.000 0.928 76 K CB 0.465 33.013 32.500 0.080 0.000 1.039 76 K HN 0.273 nan 8.250 nan 0.000 0.480 77 R N 4.408 124.943 120.500 0.058 0.000 4.556 77 R HA 0.033 4.372 4.340 -0.000 0.000 0.197 77 R C -0.144 176.184 176.300 0.047 0.000 1.791 77 R CA -0.069 56.059 56.100 0.046 0.000 1.526 77 R CB -0.050 30.273 30.300 0.039 0.000 1.410 77 R HN 0.641 nan 8.270 nan 0.000 0.826 78 E N 1.011 121.245 120.200 0.057 0.000 2.418 78 E HA -0.130 4.220 4.350 -0.000 0.000 0.197 78 E C 1.055 177.694 176.600 0.064 0.000 1.026 78 E CA 0.636 57.080 56.400 0.073 0.000 0.862 78 E CB 0.189 29.954 29.700 0.108 0.000 0.799 78 E HN 0.524 nan 8.360 nan 0.000 0.518 79 D N 0.154 120.584 120.400 0.049 0.000 2.310 79 D HA -0.154 4.486 4.640 -0.000 0.000 0.212 79 D C 1.649 177.963 176.300 0.022 0.000 0.965 79 D CA 0.411 54.433 54.000 0.036 0.000 0.879 79 D CB -0.223 40.593 40.800 0.026 0.000 0.921 79 D HN 0.254 nan 8.370 nan 0.000 0.510 80 L N -0.198 121.039 121.223 0.024 0.000 2.592 80 L HA 0.162 4.501 4.340 -0.000 0.000 0.227 80 L C 0.841 177.721 176.870 0.017 0.000 1.127 80 L CA -0.461 54.388 54.840 0.016 0.000 0.884 80 L CB -0.007 42.061 42.059 0.015 0.000 1.065 80 L HN 0.014 nan 8.230 nan 0.000 0.457 81 L N -0.030 121.208 121.223 0.024 0.000 2.439 81 L HA 0.088 4.428 4.340 -0.000 0.000 0.269 81 L C 0.545 177.429 176.870 0.024 0.000 1.179 81 L CA -0.025 54.832 54.840 0.029 0.000 0.828 81 L CB 0.290 42.373 42.059 0.040 0.000 1.106 81 L HN 0.043 nan 8.230 nan 0.000 0.467 82 H N 3.157 122.172 119.070 -0.092 0.000 3.070 82 H HA 0.366 4.922 4.556 -0.000 0.000 0.313 82 H C 1.027 176.302 175.328 -0.088 0.000 0.997 82 H CA 0.893 56.855 56.048 -0.142 0.000 1.438 82 H CB 0.331 29.912 29.762 -0.301 0.000 1.455 82 H HN 0.758 nan 8.280 nan 0.000 0.575 83 G N 2.487 110.992 108.800 -0.491 0.000 2.254 83 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.225 83 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.225 83 G C 1.243 176.048 174.900 -0.158 0.000 1.003 83 G CA 0.568 45.447 45.100 -0.367 0.000 0.622 83 G HN 1.820 nan 8.290 nan 0.000 0.507 84 G N -0.776 107.968 108.800 -0.094 0.000 2.176 84 G HA2 0.351 4.310 3.960 -0.000 0.000 0.253 84 G HA3 0.351 4.310 3.960 -0.000 0.000 0.253 84 G C 0.596 175.497 174.900 0.001 0.000 0.979 84 G CA 1.196 46.277 45.100 -0.031 0.000 0.641 84 G HN 2.536 nan 8.290 nan 0.000 0.530 85 A N -0.899 121.915 122.820 -0.009 0.000 2.606 85 A HA 0.727 5.047 4.320 -0.000 0.000 0.293 85 A C 0.847 178.435 177.584 0.006 0.000 1.082 85 A CA 0.553 52.610 52.037 0.033 0.000 0.685 85 A CB 0.241 19.242 19.000 0.001 0.000 1.284 85 A HN 1.122 nan 8.150 nan 0.000 0.408 86 H N 0.650 119.732 119.070 0.020 0.000 2.489 86 H HA -0.075 4.481 4.556 -0.000 0.000 0.295 86 H C 0.965 176.323 175.328 0.050 0.000 1.082 86 H CA 1.732 57.800 56.048 0.033 0.000 1.295 86 H CB -0.199 29.579 29.762 0.026 0.000 1.380 86 H HN 0.725 nan 8.280 nan 0.000 0.548 87 K N 0.363 120.315 120.400 -0.746 0.000 2.173 87 K HA -0.125 4.195 4.320 -0.000 0.000 0.207 87 K C 2.119 178.659 176.600 -0.099 0.000 1.046 87 K CA 1.862 57.892 56.287 -0.429 0.000 0.929 87 K CB -0.099 32.229 32.500 -0.286 0.000 0.720 87 K HN 0.320 nan 8.250 nan 0.000 0.453 88 T N 1.501 116.023 114.554 -0.055 0.000 2.759 88 T HA -0.133 4.217 4.350 -0.000 0.000 0.269 88 T C 1.491 176.258 174.700 0.112 0.000 1.042 88 T CA 1.299 63.423 62.100 0.040 0.000 1.140 88 T CB -0.259 68.638 68.868 0.047 0.000 0.864 88 T HN 0.263 nan 8.240 nan 0.000 0.455 89 N N 1.791 120.563 118.700 0.119 0.000 2.018 89 N HA -0.175 4.565 4.740 -0.000 0.000 0.196 89 N C 2.104 177.790 175.510 0.294 0.000 1.043 89 N CA 1.932 55.098 53.050 0.194 0.000 0.856 89 N CB -0.540 38.058 38.487 0.185 0.000 1.042 89 N HN 0.664 nan 8.380 nan 0.000 0.423 90 Q N 1.025 120.979 119.800 0.255 0.000 2.245 90 Q HA -0.012 4.328 4.340 -0.000 0.000 0.201 90 Q C 1.924 178.040 176.000 0.194 0.000 0.955 90 Q CA 1.202 57.187 55.803 0.302 0.000 0.870 90 Q CB -0.529 28.389 28.738 0.300 0.000 0.945 90 Q HN 0.304 nan 8.270 nan 0.000 0.461 91 V N -1.365 118.633 119.914 0.141 0.000 2.515 91 V HA -0.131 3.989 4.120 -0.000 0.000 0.250 91 V C 2.130 178.244 176.094 0.034 0.000 1.058 91 V CA 1.316 63.674 62.300 0.097 0.000 1.064 91 V CB -0.766 31.086 31.823 0.049 0.000 0.675 91 V HN 0.369 nan 8.190 nan 0.000 0.461 92 L N 1.226 122.478 121.223 0.049 0.000 2.056 92 L HA 0.054 4.394 4.340 -0.000 0.000 0.207 92 L C 2.855 179.555 176.870 -0.283 0.000 1.078 92 L CA 1.692 56.529 54.840 -0.005 0.000 0.749 92 L CB -1.157 41.007 42.059 0.174 0.000 0.901 92 L HN 0.487 nan 8.230 nan 0.000 0.433 93 G N -1.102 107.341 108.800 -0.596 0.000 2.402 93 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.216 93 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.216 93 G C 1.500 176.038 174.900 -0.604 0.000 1.162 93 G CA 0.218 44.369 45.100 -1.581 0.000 0.777 93 G HN 0.346 nan 8.290 nan 0.000 0.539 94 Q N 0.061 119.816 119.800 -0.074 0.000 2.167 94 Q HA 0.018 4.358 4.340 -0.000 0.000 0.202 94 Q C 3.001 179.010 176.000 0.014 0.000 0.970 94 Q CA 0.999 56.890 55.803 0.147 0.000 0.855 94 Q CB -0.194 28.714 28.738 0.283 0.000 0.911 94 Q HN 0.488 nan 8.270 nan 0.000 0.438 95 A N 0.884 123.690 122.820 -0.024 0.000 1.902 95 A HA -0.140 4.179 4.320 -0.000 0.000 0.217 95 A C 2.035 179.585 177.584 -0.057 0.000 1.181 95 A CA 0.962 52.984 52.037 -0.024 0.000 0.623 95 A CB -0.564 18.407 19.000 -0.047 0.000 0.818 95 A HN 0.275 nan 8.150 nan 0.000 0.443 96 L N -0.706 120.443 121.223 -0.124 0.000 2.093 96 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 96 L C 2.515 179.467 176.870 0.136 0.000 1.085 96 L CA 0.763 55.548 54.840 -0.092 0.000 0.755 96 L CB -0.444 41.372 42.059 -0.405 0.000 0.904 96 L HN 0.378 nan 8.230 nan 0.000 0.435 97 L N -0.499 120.815 121.223 0.152 0.000 2.056 97 L HA -0.187 4.152 4.340 -0.000 0.000 0.207 97 L C 2.887 179.730 176.870 -0.045 0.000 1.078 97 L CA 1.095 55.994 54.840 0.097 0.000 0.749 97 L CB -0.640 41.441 42.059 0.037 0.000 0.901 97 L HN 0.250 nan 8.230 nan 0.000 0.433 98 A N 0.381 123.123 122.820 -0.130 0.000 1.883 98 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 98 A C 2.286 179.883 177.584 0.023 0.000 1.186 98 A CA 1.843 53.836 52.037 -0.073 0.000 0.624 98 A CB -0.357 18.657 19.000 0.024 0.000 0.822 98 A HN 0.336 nan 8.150 nan 0.000 0.444 99 K N -0.917 119.498 120.400 0.025 0.000 2.097 99 K HA -0.113 4.207 4.320 -0.000 0.000 0.205 99 K C 2.321 178.949 176.600 0.047 0.000 1.050 99 K CA 1.258 57.565 56.287 0.032 0.000 0.938 99 K CB -0.166 32.341 32.500 0.012 0.000 0.718 99 K HN 0.464 nan 8.250 nan 0.000 0.442 100 R N 1.023 121.564 120.500 0.069 0.000 2.096 100 R HA -0.048 4.291 4.340 -0.000 0.000 0.235 100 R C 1.780 178.107 176.300 0.044 0.000 1.127 100 R CA 1.327 57.471 56.100 0.074 0.000 0.968 100 R CB -0.013 30.345 30.300 0.096 0.000 0.861 100 R HN 0.166 nan 8.270 nan 0.000 0.440 101 M N -0.514 119.112 119.600 0.042 0.000 2.618 101 M HA 0.136 4.616 4.480 -0.000 0.000 0.240 101 M C 0.776 177.113 176.300 0.061 0.000 1.123 101 M CA 0.793 56.125 55.300 0.053 0.000 1.060 101 M CB 0.869 33.514 32.600 0.074 0.000 1.535 101 M HN 0.478 nan 8.290 nan 0.000 0.507 102 G N 1.886 110.717 108.800 0.052 0.000 2.147 102 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.244 102 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.244 102 G C -0.209 174.726 174.900 0.059 0.000 1.005 102 G CA 0.034 45.163 45.100 0.047 0.000 0.713 102 G HN 0.458 nan 8.290 nan 0.000 0.515 103 K N 0.030 120.477 120.400 0.078 0.000 2.110 103 K HA 0.594 4.914 4.320 -0.000 0.000 0.263 103 K C 1.110 177.759 176.600 0.081 0.000 0.975 103 K CA -0.013 56.335 56.287 0.102 0.000 0.895 103 K CB 1.485 34.086 32.500 0.168 0.000 1.060 103 K HN 0.354 nan 8.250 nan 0.000 0.448 104 S N 0.507 116.253 115.700 0.076 0.000 2.603 104 S HA 0.147 4.617 4.470 -0.000 0.000 0.232 104 S C -0.088 174.548 174.600 0.061 0.000 1.016 104 S CA -0.497 57.736 58.200 0.054 0.000 0.976 104 S CB 0.177 63.399 63.200 0.037 0.000 0.921 104 S HN 0.589 nan 8.310 nan 0.000 0.516 105 E N 0.841 121.096 120.200 0.092 0.000 2.288 105 E HA 0.582 4.931 4.350 -0.000 0.000 0.268 105 E C -1.332 175.343 176.600 0.125 0.000 0.885 105 E CA -0.869 55.587 56.400 0.093 0.000 0.767 105 E CB 1.670 31.429 29.700 0.099 0.000 1.220 105 E HN 0.154 nan 8.360 nan 0.000 0.427 106 I N 2.977 123.600 120.570 0.088 0.000 2.545 106 I HA 0.429 4.599 4.170 -0.000 0.000 0.292 106 I C -0.496 175.655 176.117 0.056 0.000 1.040 106 I CA -0.569 60.778 61.300 0.079 0.000 1.068 106 I CB 1.520 39.547 38.000 0.045 0.000 1.251 106 I HN 0.505 nan 8.210 nan 0.000 0.424 107 I N 4.772 125.377 120.570 0.059 0.000 2.433 107 I HA 0.713 4.882 4.170 -0.000 0.000 0.292 107 I C -0.017 176.182 176.117 0.137 0.000 1.001 107 I CA -0.428 60.946 61.300 0.124 0.000 1.119 107 I CB 2.053 40.166 38.000 0.188 0.000 1.289 107 I HN 0.667 nan 8.210 nan 0.000 0.438 108 A N 5.574 128.480 122.820 0.144 0.000 2.539 108 A HA 0.807 5.126 4.320 -0.000 0.000 0.296 108 A C -1.132 176.589 177.584 0.228 0.000 1.073 108 A CA -0.580 51.535 52.037 0.130 0.000 0.700 108 A CB 1.886 20.851 19.000 -0.059 0.000 1.296 108 A HN 0.637 nan 8.150 nan 0.000 0.405 109 E N 0.477 120.835 120.200 0.262 0.000 2.244 109 E HA 0.785 5.135 4.350 -0.000 0.000 0.266 109 E C -1.120 175.591 176.600 0.185 0.000 0.914 109 E CA -0.664 55.874 56.400 0.230 0.000 0.794 109 E CB 1.940 31.773 29.700 0.221 0.000 1.210 109 E HN 0.575 nan 8.360 nan 0.000 0.414 110 T N 0.415 115.047 114.554 0.130 0.000 3.012 110 T HA 0.577 4.927 4.350 -0.000 0.000 0.330 110 T C -0.050 174.696 174.700 0.076 0.000 1.321 110 T CA 0.045 62.204 62.100 0.099 0.000 1.067 110 T CB 1.215 70.124 68.868 0.069 0.000 1.235 110 T HN 0.518 nan 8.240 nan 0.000 0.479 111 G N 1.431 110.267 108.800 0.060 0.000 2.764 111 G HA2 0.440 4.400 3.960 -0.000 0.000 0.218 111 G HA3 0.440 4.400 3.960 -0.000 0.000 0.218 111 G C 1.565 176.495 174.900 0.050 0.000 1.304 111 G CA 0.597 45.733 45.100 0.060 0.000 0.847 111 G HN 0.950 nan 8.290 nan 0.000 0.610 112 A N -0.347 122.497 122.820 0.040 0.000 2.168 112 A HA 0.412 4.732 4.320 -0.000 0.000 0.215 112 A C 2.063 179.669 177.584 0.037 0.000 1.152 112 A CA 1.637 53.696 52.037 0.038 0.000 0.716 112 A CB -0.611 18.407 19.000 0.030 0.000 0.794 112 A HN 1.868 nan 8.150 nan 0.000 0.465 113 G N -1.384 107.437 108.800 0.036 0.000 2.195 113 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.246 113 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.246 113 G C 1.013 175.920 174.900 0.012 0.000 0.984 113 G CA 1.029 46.144 45.100 0.025 0.000 0.633 113 G HN 0.591 nan 8.290 nan 0.000 0.525 114 Q N 0.391 120.203 119.800 0.019 0.000 2.079 114 Q HA -0.029 4.311 4.340 -0.000 0.000 0.200 114 Q C 2.004 178.004 176.000 -0.001 0.000 0.974 114 Q CA 2.591 58.395 55.803 0.003 0.000 0.840 114 Q CB -0.542 28.200 28.738 0.007 0.000 0.898 114 Q HN 0.778 nan 8.270 nan 0.000 0.430 115 H N -0.924 118.100 119.070 -0.076 0.000 2.423 115 H HA 0.072 4.628 4.556 -0.000 0.000 0.297 115 H C 1.654 176.937 175.328 -0.074 0.000 1.075 115 H CA 1.820 57.811 56.048 -0.096 0.000 1.342 115 H CB -0.454 29.238 29.762 -0.116 0.000 1.395 115 H HN 0.368 nan 8.280 nan 0.000 0.530 116 G N -0.161 108.563 108.800 -0.127 0.000 2.418 116 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 116 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 116 G C 1.823 176.626 174.900 -0.163 0.000 1.158 116 G CA 1.130 46.133 45.100 -0.161 0.000 0.771 116 G HN 0.377 nan 8.290 nan 0.000 0.545 117 V N 1.531 121.378 119.914 -0.112 0.000 2.343 117 V HA -0.116 4.004 4.120 -0.000 0.000 0.247 117 V C 3.325 179.347 176.094 -0.119 0.000 1.051 117 V CA 1.996 64.237 62.300 -0.098 0.000 1.036 117 V CB -0.840 30.941 31.823 -0.070 0.000 0.654 117 V HN 0.478 nan 8.190 nan 0.000 0.451 118 A N -0.290 122.444 122.820 -0.143 0.000 1.877 118 A HA -0.211 4.109 4.320 -0.000 0.000 0.216 118 A C 2.487 179.981 177.584 -0.150 0.000 1.186 118 A CA 2.311 54.272 52.037 -0.127 0.000 0.620 118 A CB -0.734 18.204 19.000 -0.104 0.000 0.822 118 A HN 0.512 nan 8.150 nan 0.000 0.443 119 S N -0.112 115.413 115.700 -0.292 0.000 2.382 119 S HA -0.023 4.446 4.470 -0.000 0.000 0.228 119 S C 2.280 176.796 174.600 -0.139 0.000 1.027 119 S CA 1.144 59.187 58.200 -0.261 0.000 0.991 119 S CB -0.446 62.510 63.200 -0.406 0.000 0.823 119 S HN 0.795 nan 8.310 nan 0.000 0.469 120 A N 1.993 124.736 122.820 -0.129 0.000 1.898 120 A HA -0.043 4.277 4.320 -0.000 0.000 0.216 120 A C 2.194 179.752 177.584 -0.043 0.000 1.181 120 A CA 1.630 53.616 52.037 -0.084 0.000 0.620 120 A CB -0.762 18.186 19.000 -0.087 0.000 0.819 120 A HN 0.529 nan 8.150 nan 0.000 0.442 121 L N -1.700 119.511 121.223 -0.020 0.000 2.093 121 L HA 0.141 4.480 4.340 -0.000 0.000 0.208 121 L C 2.406 179.320 176.870 0.074 0.000 1.085 121 L CA 2.124 57.002 54.840 0.063 0.000 0.755 121 L CB -1.315 40.811 42.059 0.113 0.000 0.904 121 L HN 0.176 nan 8.230 nan 0.000 0.435 122 A N -0.093 122.749 122.820 0.036 0.000 1.898 122 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 122 A C 2.429 179.983 177.584 -0.050 0.000 1.181 122 A CA 1.889 53.923 52.037 -0.006 0.000 0.620 122 A CB -0.990 18.009 19.000 -0.003 0.000 0.819 122 A HN 0.548 nan 8.150 nan 0.000 0.442 123 S N -0.115 115.562 115.700 -0.039 0.000 2.383 123 S HA 0.002 4.472 4.470 -0.000 0.000 0.227 123 S C 2.288 176.863 174.600 -0.043 0.000 1.026 123 S CA 1.069 59.246 58.200 -0.038 0.000 0.981 123 S CB -0.408 62.771 63.200 -0.034 0.000 0.818 123 S HN 0.780 nan 8.310 nan 0.000 0.472 124 A N 1.448 124.247 122.820 -0.036 0.000 1.877 124 A HA -0.039 4.281 4.320 -0.000 0.000 0.216 124 A C 2.127 179.679 177.584 -0.053 0.000 1.186 124 A CA 1.381 53.398 52.037 -0.032 0.000 0.620 124 A CB -0.740 18.254 19.000 -0.010 0.000 0.822 124 A HN 0.423 nan 8.150 nan 0.000 0.443 125 L N -0.444 120.725 121.223 -0.089 0.000 2.046 125 L HA -0.022 4.318 4.340 -0.000 0.000 0.208 125 L C 1.758 178.529 176.870 -0.165 0.000 1.077 125 L CA 1.764 56.493 54.840 -0.185 0.000 0.747 125 L CB -0.303 41.495 42.059 -0.435 0.000 0.896 125 L HN 0.363 nan 8.230 nan 0.000 0.432 126 L N -0.281 120.860 121.223 -0.137 0.000 2.629 126 L HA 0.320 4.660 4.340 -0.000 0.000 0.230 126 L C 1.208 178.039 176.870 -0.065 0.000 1.151 126 L CA 0.333 55.109 54.840 -0.107 0.000 0.924 126 L CB -0.719 41.276 42.059 -0.106 0.000 1.137 126 L HN 0.492 nan 8.230 nan 0.000 0.457 127 G N 1.086 109.853 108.800 -0.055 0.000 2.246 127 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.273 127 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.273 127 G C -0.097 174.791 174.900 -0.020 0.000 1.055 127 G CA 0.026 45.105 45.100 -0.034 0.000 0.851 127 G HN 0.272 nan 8.290 nan 0.000 0.500 128 L N -0.661 120.551 121.223 -0.018 0.000 2.325 128 L HA 0.497 4.837 4.340 -0.000 0.000 0.278 128 L C 0.726 177.595 176.870 -0.002 0.000 1.023 128 L CA -0.980 53.860 54.840 -0.000 0.000 0.811 128 L CB 1.477 43.541 42.059 0.009 0.000 1.249 128 L HN -0.002 nan 8.230 nan 0.000 0.431 129 K N 1.871 122.276 120.400 0.009 0.000 2.310 129 K HA 0.244 4.563 4.320 -0.000 0.000 0.290 129 K C -0.827 175.774 176.600 0.002 0.000 1.077 129 K CA -0.297 55.991 56.287 0.002 0.000 0.922 129 K CB 0.986 33.492 32.500 0.010 0.000 1.057 129 K HN 0.481 nan 8.250 nan 0.000 0.479 130 C N 5.105 124.393 119.300 -0.020 0.000 2.303 130 C HA 0.448 4.908 4.460 -0.000 0.000 0.326 130 C C -0.306 174.648 174.990 -0.059 0.000 1.285 130 C CA -0.739 58.259 59.018 -0.033 0.000 1.675 130 C CB -0.335 27.376 27.740 -0.049 0.000 2.289 130 C HN 0.925 nan 8.230 nan 0.000 0.512 131 R N 5.794 126.252 120.500 -0.069 0.000 2.480 131 R HA 0.804 5.143 4.340 -0.000 0.000 0.306 131 R C -1.565 174.616 176.300 -0.198 0.000 0.958 131 R CA -0.686 55.325 56.100 -0.149 0.000 0.861 131 R CB 0.920 31.125 30.300 -0.160 0.000 1.171 131 R HN 0.665 nan 8.270 nan 0.000 0.445 132 I N 3.212 123.630 120.570 -0.252 0.000 2.406 132 I HA 0.312 4.482 4.170 -0.000 0.000 0.290 132 I C -0.889 175.056 176.117 -0.287 0.000 0.999 132 I CA -1.242 59.942 61.300 -0.193 0.000 1.124 132 I CB 1.478 39.413 38.000 -0.109 0.000 1.289 132 I HN 0.538 nan 8.210 nan 0.000 0.441 133 Y N 6.378 126.685 120.300 0.011 0.000 2.326 133 Y HA 0.592 5.142 4.550 -0.000 0.000 0.337 133 Y C 0.144 176.050 175.900 0.009 0.000 1.023 133 Y CA -0.374 57.728 58.100 0.004 0.000 1.143 133 Y CB 1.519 39.984 38.460 0.008 0.000 1.183 133 Y HN 0.457 nan 8.280 nan 0.000 0.485 134 M N 2.230 121.904 119.600 0.123 0.000 2.324 134 M HA 0.576 5.056 4.480 -0.000 0.000 0.288 134 M C -0.229 176.103 176.300 0.053 0.000 1.097 134 M CA -0.673 54.674 55.300 0.078 0.000 0.928 134 M CB 1.581 34.204 32.600 0.040 0.000 1.648 134 M HN 0.795 nan 8.290 nan 0.000 0.460 135 G N 2.100 110.936 108.800 0.060 0.000 2.305 135 G HA2 0.352 4.312 3.960 -0.000 0.000 0.243 135 G HA3 0.352 4.312 3.960 -0.000 0.000 0.243 135 G C 0.804 175.725 174.900 0.035 0.000 1.288 135 G CA 0.288 45.415 45.100 0.045 0.000 0.901 135 G HN 1.070 nan 8.290 nan 0.000 0.516 136 A N 2.629 125.460 122.820 0.019 0.000 1.986 136 A HA -0.044 4.275 4.320 -0.000 0.000 0.220 136 A C 2.635 180.273 177.584 0.090 0.000 1.171 136 A CA 2.768 54.848 52.037 0.072 0.000 0.640 136 A CB -0.716 18.426 19.000 0.236 0.000 0.811 136 A HN 1.065 nan 8.150 nan 0.000 0.451 137 K N -0.365 120.086 120.400 0.085 0.000 2.057 137 K HA -0.159 4.161 4.320 -0.000 0.000 0.206 137 K C 1.674 178.311 176.600 0.062 0.000 1.050 137 K CA 1.759 58.090 56.287 0.073 0.000 0.935 137 K CB -0.880 31.664 32.500 0.073 0.000 0.715 137 K HN 0.606 nan 8.250 nan 0.000 0.439 138 D N 0.233 120.669 120.400 0.061 0.000 2.183 138 D HA -0.056 4.584 4.640 -0.000 0.000 0.203 138 D C 1.949 178.277 176.300 0.047 0.000 0.969 138 D CA 1.201 55.233 54.000 0.055 0.000 0.842 138 D CB 0.108 40.943 40.800 0.058 0.000 0.957 138 D HN 0.187 nan 8.370 nan 0.000 0.484 139 V N 1.423 121.365 119.914 0.046 0.000 2.343 139 V HA -0.175 3.945 4.120 -0.000 0.000 0.247 139 V C 2.469 178.587 176.094 0.040 0.000 1.051 139 V CA 1.428 63.752 62.300 0.041 0.000 1.036 139 V CB -0.275 31.572 31.823 0.040 0.000 0.654 139 V HN 0.166 nan 8.190 nan 0.000 0.451 140 E N 0.136 120.362 120.200 0.043 0.000 2.152 140 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 140 E C 2.343 178.957 176.600 0.022 0.000 0.983 140 E CA 0.892 57.312 56.400 0.033 0.000 0.818 140 E CB 0.042 29.765 29.700 0.039 0.000 0.758 140 E HN 0.485 nan 8.360 nan 0.000 0.467 141 R N -0.309 120.209 120.500 0.030 0.000 2.276 141 R HA 0.063 4.403 4.340 -0.000 0.000 0.196 141 R C 0.468 176.782 176.300 0.022 0.000 0.961 141 R CA 0.359 56.474 56.100 0.026 0.000 1.024 141 R CB 0.439 30.763 30.300 0.039 0.000 0.940 141 R HN 0.013 nan 8.270 nan 0.000 0.480 142 Q N -0.639 119.177 119.800 0.027 0.000 2.462 142 Q HA 0.154 4.494 4.340 -0.000 0.000 0.395 142 Q C 0.303 176.322 176.000 0.031 0.000 0.911 142 Q CA -0.038 55.783 55.803 0.031 0.000 1.112 142 Q CB 1.543 30.305 28.738 0.039 0.000 1.350 142 Q HN -0.017 nan 8.270 nan 0.000 0.407 143 S N 1.840 117.548 115.700 0.014 0.000 2.374 143 S HA -0.103 4.367 4.470 -0.000 0.000 0.227 143 S C -0.757 173.874 174.600 0.052 0.000 1.037 143 S CA 1.465 59.675 58.200 0.017 0.000 1.024 143 S CB -0.213 62.970 63.200 -0.028 0.000 0.861 143 S HN 0.293 nan 8.310 nan 0.000 0.456 144 P HA -0.036 nan 4.420 nan 0.000 0.214 144 P C 0.883 178.258 177.300 0.125 0.000 1.163 144 P CA 1.294 64.449 63.100 0.092 0.000 0.883 144 P CB -0.170 31.573 31.700 0.072 0.000 0.788 145 N N -0.938 117.810 118.700 0.080 0.000 2.166 145 N HA -0.105 4.634 4.740 -0.000 0.000 0.186 145 N C 1.543 177.084 175.510 0.051 0.000 1.019 145 N CA 0.616 53.700 53.050 0.056 0.000 0.856 145 N CB -0.395 38.114 38.487 0.037 0.000 0.993 145 N HN -0.097 nan 8.380 nan 0.000 0.426 146 V N 0.679 120.634 119.914 0.070 0.000 2.343 146 V HA -0.216 3.904 4.120 -0.000 0.000 0.247 146 V C 1.792 177.947 176.094 0.101 0.000 1.051 146 V CA 1.404 63.743 62.300 0.065 0.000 1.036 146 V CB -0.588 31.276 31.823 0.069 0.000 0.654 146 V HN 0.297 nan 8.190 nan 0.000 0.451 147 F N 1.202 121.145 119.950 -0.012 0.000 2.186 147 F HA -0.092 4.435 4.527 -0.000 0.000 0.299 147 F C 2.502 178.297 175.800 -0.010 0.000 1.090 147 F CA 1.461 59.455 58.000 -0.010 0.000 1.307 147 F CB -0.315 38.680 39.000 -0.008 0.000 1.019 147 F HN -0.014 nan 8.300 nan 0.000 0.489 148 R N -0.396 120.079 120.500 -0.043 0.000 2.081 148 R HA -0.181 4.159 4.340 -0.000 0.000 0.235 148 R C 2.310 178.517 176.300 -0.155 0.000 1.131 148 R CA 1.991 58.012 56.100 -0.131 0.000 0.960 148 R CB -0.502 29.779 30.300 -0.032 0.000 0.856 148 R HN 0.343 nan 8.270 nan 0.000 0.436 149 M N -0.141 119.400 119.600 -0.099 0.000 2.108 149 M HA -0.186 4.294 4.480 -0.000 0.000 0.261 149 M C 2.267 178.493 176.300 -0.122 0.000 1.066 149 M CA 1.770 57.013 55.300 -0.096 0.000 1.107 149 M CB -0.218 32.340 32.600 -0.069 0.000 1.356 149 M HN 0.082 nan 8.290 nan 0.000 0.406 150 R N 0.099 120.513 120.500 -0.143 0.000 2.115 150 R HA -0.020 4.320 4.340 -0.000 0.000 0.226 150 R C 2.117 178.285 176.300 -0.221 0.000 1.100 150 R CA 0.981 56.992 56.100 -0.149 0.000 0.980 150 R CB -0.370 29.872 30.300 -0.096 0.000 0.875 150 R HN 0.369 nan 8.270 nan 0.000 0.445 151 L N 0.236 121.235 121.223 -0.373 0.000 2.083 151 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 151 L C 2.025 178.782 176.870 -0.188 0.000 1.083 151 L CA 1.252 55.872 54.840 -0.365 0.000 0.752 151 L CB -0.118 41.651 42.059 -0.483 0.000 0.899 151 L HN 0.246 nan 8.230 nan 0.000 0.433 152 M N -0.970 118.540 119.600 -0.149 0.000 2.568 152 M HA 0.134 4.614 4.480 -0.000 0.000 0.226 152 M C 1.238 177.495 176.300 -0.072 0.000 1.148 152 M CA 0.657 55.905 55.300 -0.086 0.000 1.007 152 M CB 0.211 32.772 32.600 -0.064 0.000 1.651 152 M HN 0.388 nan 8.290 nan 0.000 0.488 153 G N 0.693 109.443 108.800 -0.083 0.000 2.159 153 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.256 153 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.256 153 G C 0.157 175.020 174.900 -0.061 0.000 0.977 153 G CA 0.107 45.169 45.100 -0.063 0.000 0.652 153 G HN 0.678 nan 8.290 nan 0.000 0.531 154 A N -0.094 122.683 122.820 -0.072 0.000 2.340 154 A HA 0.667 4.986 4.320 -0.000 0.000 0.268 154 A C 0.402 177.940 177.584 -0.075 0.000 1.100 154 A CA 0.464 52.457 52.037 -0.073 0.000 0.803 154 A CB 0.572 19.522 19.000 -0.083 0.000 1.043 154 A HN 0.738 nan 8.150 nan 0.000 0.488 155 E N 1.821 121.971 120.200 -0.083 0.000 2.167 155 E HA 0.456 4.806 4.350 -0.000 0.000 0.284 155 E C -1.363 175.162 176.600 -0.125 0.000 1.016 155 E CA -0.436 55.910 56.400 -0.090 0.000 0.817 155 E CB 0.844 30.491 29.700 -0.090 0.000 1.080 155 E HN 0.340 nan 8.360 nan 0.000 0.397 156 V N 7.073 126.927 119.914 -0.100 0.000 2.370 156 V HA 0.303 4.422 4.120 -0.000 0.000 0.279 156 V C 0.049 176.075 176.094 -0.113 0.000 1.029 156 V CA -0.521 61.715 62.300 -0.107 0.000 0.870 156 V CB 0.995 32.785 31.823 -0.055 0.000 0.984 156 V HN 0.648 nan 8.190 nan 0.000 0.451 157 I N 7.424 127.885 120.570 -0.182 0.000 2.354 157 I HA 0.367 4.537 4.170 -0.000 0.000 0.286 157 I C -2.479 173.604 176.117 -0.056 0.000 1.007 157 I CA -2.027 59.188 61.300 -0.142 0.000 1.167 157 I CB 1.845 39.677 38.000 -0.281 0.000 1.320 157 I HN 0.396 nan 8.210 nan 0.000 0.458 158 P HA 0.107 nan 4.420 nan 0.000 0.271 158 P C -0.731 176.413 177.300 -0.260 0.000 1.216 158 P CA -0.122 62.904 63.100 -0.124 0.000 0.776 158 P CB 0.871 32.506 31.700 -0.109 0.000 0.881 159 V N 4.628 124.404 119.914 -0.230 0.000 2.378 159 V HA 0.166 4.286 4.120 -0.000 0.000 0.288 159 V C 0.883 176.830 176.094 -0.243 0.000 1.016 159 V CA -0.258 61.918 62.300 -0.206 0.000 0.840 159 V CB 0.960 32.779 31.823 -0.008 0.000 0.994 159 V HN 0.678 nan 8.190 nan 0.000 0.431 160 H N 1.250 120.357 119.070 0.062 0.000 2.582 160 H HA 0.096 4.652 4.556 -0.000 0.000 0.269 160 H C 1.498 176.849 175.328 0.039 0.000 0.962 160 H CA 0.619 56.695 56.048 0.046 0.000 1.230 160 H CB 0.356 30.142 29.762 0.039 0.000 1.445 160 H HN 0.656 nan 8.280 nan 0.000 0.528 161 S N 0.805 116.575 115.700 0.118 0.000 2.558 161 S HA 0.264 4.734 4.470 -0.000 0.000 0.291 161 S C 1.293 175.929 174.600 0.060 0.000 1.306 161 S CA 0.205 58.450 58.200 0.075 0.000 1.056 161 S CB 0.818 64.044 63.200 0.043 0.000 0.836 161 S HN 0.736 nan 8.310 nan 0.000 0.504 162 G N 2.447 111.274 108.800 0.046 0.000 2.564 162 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.273 162 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.273 162 G C 0.789 175.716 174.900 0.046 0.000 1.242 162 G CA 0.667 45.788 45.100 0.035 0.000 0.951 162 G HN 2.153 nan 8.290 nan 0.000 0.564 163 S N 0.331 116.058 115.700 0.045 0.000 2.660 163 S HA 0.412 4.881 4.470 -0.000 0.000 0.228 163 S C 1.735 176.376 174.600 0.068 0.000 0.966 163 S CA 1.368 59.599 58.200 0.052 0.000 0.940 163 S CB -0.362 62.867 63.200 0.049 0.000 0.773 163 S HN 2.612 nan 8.310 nan 0.000 0.535 164 A N 0.511 123.376 122.820 0.074 0.000 2.704 164 A HA -0.137 4.183 4.320 -0.000 0.000 0.299 164 A C 0.840 178.470 177.584 0.078 0.000 1.507 164 A CA 1.087 53.172 52.037 0.081 0.000 0.776 164 A CB -2.570 16.494 19.000 0.107 0.000 1.027 164 A HN 1.234 nan 8.150 nan 0.000 0.475 165 T N -4.722 109.883 114.554 0.085 0.000 2.633 165 T HA 0.655 5.005 4.350 -0.000 0.000 0.262 165 T C 1.107 175.875 174.700 0.113 0.000 0.920 165 T CA -0.080 62.077 62.100 0.094 0.000 1.062 165 T CB 0.155 69.082 68.868 0.098 0.000 1.390 165 T HN 1.187 nan 8.240 nan 0.000 0.549 166 L N 1.838 123.139 121.223 0.129 0.000 1.963 166 L HA -0.089 4.250 4.340 -0.000 0.000 0.220 166 L C 2.772 179.766 176.870 0.207 0.000 1.076 166 L CA 2.820 57.753 54.840 0.154 0.000 0.772 166 L CB -1.188 40.969 42.059 0.164 0.000 0.892 166 L HN 0.925 nan 8.230 nan 0.000 0.435 167 K N -1.341 119.227 120.400 0.281 0.000 2.113 167 K HA -0.224 4.096 4.320 -0.000 0.000 0.208 167 K C 1.568 178.318 176.600 0.251 0.000 1.047 167 K CA 1.974 58.494 56.287 0.389 0.000 0.928 167 K CB -0.848 31.919 32.500 0.445 0.000 0.716 167 K HN 0.491 nan 8.250 nan 0.000 0.446 168 D N 1.166 121.665 120.400 0.166 0.000 2.183 168 D HA -0.060 4.580 4.640 -0.000 0.000 0.203 168 D C 2.036 178.378 176.300 0.070 0.000 0.969 168 D CA 1.319 55.380 54.000 0.102 0.000 0.842 168 D CB 0.005 40.852 40.800 0.078 0.000 0.957 168 D HN 0.465 nan 8.370 nan 0.000 0.484 169 A N 0.757 123.634 122.820 0.095 0.000 1.929 169 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 169 A C 2.521 180.138 177.584 0.056 0.000 1.176 169 A CA 0.779 52.870 52.037 0.090 0.000 0.628 169 A CB -0.783 18.295 19.000 0.130 0.000 0.816 169 A HN 0.290 nan 8.150 nan 0.000 0.444 170 C N 0.145 119.504 119.300 0.097 0.000 2.432 170 C HA -0.108 4.351 4.460 -0.000 0.000 0.277 170 C C 2.650 177.623 174.990 -0.029 0.000 1.249 170 C CA 1.102 60.167 59.018 0.078 0.000 1.725 170 C CB -1.419 26.434 27.740 0.189 0.000 2.028 170 C HN 0.642 nan 8.230 nan 0.000 0.477 171 N N 0.933 119.638 118.700 0.009 0.000 2.104 171 N HA -0.148 4.592 4.740 -0.000 0.000 0.190 171 N C 1.667 177.093 175.510 -0.141 0.000 1.024 171 N CA 1.394 54.425 53.050 -0.031 0.000 0.853 171 N CB -0.577 37.925 38.487 0.025 0.000 1.008 171 N HN 0.553 nan 8.380 nan 0.000 0.424 172 E N 0.986 121.059 120.200 -0.211 0.000 2.150 172 E HA 0.040 4.389 4.350 -0.000 0.000 0.193 172 E C 1.778 177.951 176.600 -0.712 0.000 0.985 172 E CA 0.993 57.137 56.400 -0.427 0.000 0.814 172 E CB -0.286 29.128 29.700 -0.475 0.000 0.752 172 E HN 0.331 nan 8.360 nan 0.000 0.466 173 A N 0.265 122.729 122.820 -0.593 0.000 1.898 173 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 173 A C 2.242 179.561 177.584 -0.441 0.000 1.181 173 A CA 1.274 53.018 52.037 -0.488 0.000 0.620 173 A CB -0.662 18.184 19.000 -0.256 0.000 0.819 173 A HN 0.316 nan 8.150 nan 0.000 0.442 174 L N -1.095 119.877 121.223 -0.418 0.000 2.046 174 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 174 L C 2.858 179.701 176.870 -0.045 0.000 1.077 174 L CA 1.509 56.218 54.840 -0.219 0.000 0.747 174 L CB -0.522 41.454 42.059 -0.138 0.000 0.896 174 L HN 0.352 nan 8.230 nan 0.000 0.432 175 R N -0.165 120.275 120.500 -0.101 0.000 2.091 175 R HA -0.207 4.133 4.340 -0.000 0.000 0.238 175 R C 2.087 178.386 176.300 -0.002 0.000 1.136 175 R CA 1.722 57.792 56.100 -0.051 0.000 0.959 175 R CB -0.505 29.743 30.300 -0.086 0.000 0.856 175 R HN 0.359 nan 8.270 nan 0.000 0.437 176 D N 0.050 120.434 120.400 -0.027 0.000 2.084 176 D HA -0.212 4.428 4.640 -0.000 0.000 0.194 176 D C 1.644 178.067 176.300 0.205 0.000 0.990 176 D CA 1.008 55.060 54.000 0.088 0.000 0.826 176 D CB -0.211 40.672 40.800 0.139 0.000 0.971 176 D HN 0.202 nan 8.370 nan 0.000 0.453 177 W N 1.932 123.225 121.300 -0.011 0.000 2.342 177 W HA -0.197 4.463 4.660 0.000 0.000 0.297 177 W C 2.767 179.386 176.519 0.167 0.000 1.213 177 W CA 2.848 60.233 57.345 0.067 0.000 1.251 177 W CB -0.899 28.547 29.460 -0.023 0.000 1.136 177 W HN 0.133 nan 8.180 nan 0.000 0.526 178 S N -1.070 114.713 115.700 0.139 0.000 2.419 178 S HA -0.092 4.378 4.470 -0.000 0.000 0.235 178 S C 1.878 176.566 174.600 0.148 0.000 1.019 178 S CA 1.432 59.658 58.200 0.044 0.000 0.982 178 S CB -1.001 62.211 63.200 0.020 0.000 0.789 178 S HN 0.286 nan 8.310 nan 0.000 0.490 179 G N 0.126 108.992 108.800 0.110 0.000 3.277 179 G HA2 0.366 4.326 3.960 -0.000 0.000 0.243 179 G HA3 0.366 4.326 3.960 -0.000 0.000 0.243 179 G C 0.791 175.694 174.900 0.004 0.000 1.107 179 G CA 0.312 45.442 45.100 0.050 0.000 0.771 179 G HN 0.770 nan 8.290 nan 0.000 0.544 180 S N -0.778 114.954 115.700 0.054 0.000 2.893 180 S HA 0.065 4.534 4.470 -0.000 0.000 0.258 180 S C 1.541 176.181 174.600 0.066 0.000 1.034 180 S CA -0.109 58.116 58.200 0.042 0.000 1.167 180 S CB -0.762 62.524 63.200 0.143 0.000 1.137 180 S HN 0.443 nan 8.310 nan 0.000 0.650 181 Y N 1.805 122.090 120.300 -0.025 0.000 2.465 181 Y HA 0.120 4.670 4.550 -0.000 0.000 0.289 181 Y C 1.879 177.821 175.900 0.069 0.000 1.150 181 Y CA 1.091 59.169 58.100 -0.036 0.000 1.293 181 Y CB -0.512 37.603 38.460 -0.574 0.000 0.977 181 Y HN 0.460 nan 8.280 nan 0.000 0.556 182 E N 1.198 121.181 120.200 -0.362 0.000 2.150 182 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 182 E C 1.352 177.952 176.600 -0.000 0.000 0.985 182 E CA 1.848 58.132 56.400 -0.193 0.000 0.814 182 E CB -0.025 29.511 29.700 -0.273 0.000 0.752 182 E HN 0.665 nan 8.360 nan 0.000 0.466 183 T N -2.996 111.581 114.554 0.038 0.000 3.004 183 T HA 0.546 4.896 4.350 -0.000 0.000 0.266 183 T C 0.119 174.914 174.700 0.158 0.000 0.986 183 T CA -0.042 62.108 62.100 0.084 0.000 0.902 183 T CB 1.041 69.937 68.868 0.047 0.000 1.118 183 T HN 0.188 nan 8.240 nan 0.000 0.522 184 A N 1.187 124.158 122.820 0.251 0.000 2.386 184 A HA 0.716 5.036 4.320 -0.000 0.000 0.311 184 A C -1.312 176.592 177.584 0.532 0.000 1.068 184 A CA -0.757 51.478 52.037 0.330 0.000 0.743 184 A CB 1.128 20.311 19.000 0.306 0.000 1.258 184 A HN 0.539 nan 8.150 nan 0.000 0.429 185 H N 0.803 120.055 119.070 0.303 0.000 2.457 185 H HA 0.533 5.089 4.556 -0.000 0.000 0.335 185 H C -1.632 173.693 175.328 -0.006 0.000 1.115 185 H CA -0.599 55.613 56.048 0.273 0.000 1.219 185 H CB 0.949 30.823 29.762 0.186 0.000 1.471 185 H HN 0.582 nan 8.280 nan 0.000 0.491 186 Y N 5.917 125.412 120.300 -1.342 0.000 2.477 186 Y HA 0.202 4.752 4.550 -0.000 0.000 0.349 186 Y C -0.436 174.804 175.900 -1.100 0.000 0.977 186 Y CA -1.085 56.231 58.100 -1.306 0.000 1.214 186 Y CB 0.284 37.573 38.460 -1.952 0.000 1.124 186 Y HN 0.761 nan 8.280 nan 0.000 0.521 187 M N 8.889 127.981 119.600 -0.847 0.000 2.725 187 M HA 0.238 4.718 4.480 -0.000 0.000 0.322 187 M C -1.170 174.722 176.300 -0.680 0.000 1.393 187 M CA -0.326 54.673 55.300 -0.502 0.000 1.452 187 M CB -0.249 32.285 32.600 -0.109 0.000 1.242 187 M HN 0.761 nan 8.290 nan 0.000 0.487 188 L N 3.336 123.878 121.223 -1.135 0.000 2.456 188 L HA 0.245 4.584 4.340 -0.000 0.000 0.272 188 L C 1.167 177.598 176.870 -0.732 0.000 1.189 188 L CA 0.232 54.371 54.840 -1.169 0.000 0.846 188 L CB 0.963 42.134 42.059 -1.480 0.000 1.111 188 L HN 0.802 nan 8.230 nan 0.000 0.475 189 G N 2.035 110.262 108.800 -0.955 0.000 3.284 189 G HA2 0.145 4.104 3.960 -0.000 0.000 0.236 189 G HA3 0.145 4.104 3.960 -0.000 0.000 0.236 189 G C 0.212 174.686 174.900 -0.710 0.000 1.158 189 G CA 0.419 44.693 45.100 -1.377 0.000 0.774 189 G HN 0.591 nan 8.290 nan 0.000 0.545 190 T N -1.714 112.523 114.554 -0.529 0.000 2.731 190 T HA 0.515 4.865 4.350 -0.000 0.000 0.300 190 T C -0.571 173.968 174.700 -0.269 0.000 1.283 190 T CA 0.258 62.132 62.100 -0.376 0.000 1.005 190 T CB 1.173 69.742 68.868 -0.500 0.000 1.420 190 T HN 0.230 nan 8.240 nan 0.000 0.503 191 A N 1.193 123.908 122.820 -0.175 0.000 3.033 191 A HA 0.709 5.029 4.320 -0.000 0.000 0.250 191 A C 0.564 178.089 177.584 -0.099 0.000 1.633 191 A CA 0.466 52.439 52.037 -0.106 0.000 1.290 191 A CB -1.552 17.410 19.000 -0.064 0.000 1.048 191 A HN 1.144 nan 8.150 nan 0.000 0.648 192 A N -0.846 121.887 122.820 -0.145 0.000 2.525 192 A HA 0.971 5.290 4.320 -0.000 0.000 0.291 192 A C 0.501 178.055 177.584 -0.051 0.000 1.268 192 A CA -0.084 51.904 52.037 -0.082 0.000 0.712 192 A CB 0.184 19.095 19.000 -0.148 0.000 1.320 192 A HN 2.289 nan 8.150 nan 0.000 0.456 193 G N -1.366 107.457 108.800 0.037 0.000 2.698 193 G HA2 0.073 4.033 3.960 -0.000 0.000 0.225 193 G HA3 0.073 4.033 3.960 -0.000 0.000 0.225 193 G C -3.045 171.968 174.900 0.187 0.000 1.345 193 G CA -0.224 44.929 45.100 0.088 0.000 0.871 193 G HN 1.008 nan 8.290 nan 0.000 0.540 194 P HA 0.273 nan 4.420 nan 0.000 0.274 194 P C -0.176 177.280 177.300 0.261 0.000 1.231 194 P CA -0.042 63.212 63.100 0.256 0.000 0.790 194 P CB 0.766 32.623 31.700 0.261 0.000 0.951 195 H N 4.383 123.492 119.070 0.066 0.000 2.948 195 H HA 0.045 4.601 4.556 -0.000 0.000 0.351 195 H C -1.387 173.922 175.328 -0.031 0.000 1.079 195 H CA -0.680 55.360 56.048 -0.013 0.000 1.407 195 H CB 0.306 30.008 29.762 -0.099 0.000 1.373 195 H HN 0.265 nan 8.280 nan 0.000 0.605 196 P HA -0.043 nan 4.420 nan 0.000 0.257 196 P C 0.374 177.320 177.300 -0.589 0.000 1.325 196 P CA 0.398 62.862 63.100 -1.061 0.000 0.850 196 P CB -0.008 31.056 31.700 -1.060 0.000 1.324 197 Y N 1.619 121.767 120.300 -0.253 0.000 2.128 197 Y HA -0.117 4.433 4.550 -0.000 0.000 0.284 197 Y C -0.200 175.584 175.900 -0.193 0.000 1.154 197 Y CA 2.078 60.042 58.100 -0.227 0.000 1.149 197 Y CB -2.470 35.891 38.460 -0.165 0.000 0.976 197 Y HN 0.177 nan 8.280 nan 0.000 0.505 198 P HA -0.134 nan 4.420 nan 0.000 0.216 198 P C 1.519 178.827 177.300 0.013 0.000 1.150 198 P CA 2.315 65.445 63.100 0.051 0.000 0.837 198 P CB -0.056 31.747 31.700 0.172 0.000 0.786 199 T N -0.856 113.709 114.554 0.018 0.000 2.770 199 T HA -0.030 4.320 4.350 -0.000 0.000 0.263 199 T C 1.766 176.257 174.700 -0.350 0.000 1.039 199 T CA 0.927 63.006 62.100 -0.035 0.000 1.142 199 T CB -0.785 68.087 68.868 0.007 0.000 0.868 199 T HN 0.046 nan 8.240 nan 0.000 0.435 200 I N 0.946 121.089 120.570 -0.712 0.000 2.179 200 I HA -0.148 4.022 4.170 -0.000 0.000 0.242 200 I C 2.439 178.168 176.117 -0.646 0.000 1.088 200 I CA 0.972 61.584 61.300 -1.148 0.000 1.357 200 I CB -0.408 36.889 38.000 -1.171 0.000 1.051 200 I HN 0.081 nan 8.210 nan 0.000 0.409 201 V N 0.917 120.659 119.914 -0.287 0.000 2.407 201 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 201 V C 2.617 178.712 176.094 0.001 0.000 1.055 201 V CA 1.887 64.146 62.300 -0.069 0.000 1.049 201 V CB -0.854 30.945 31.823 -0.040 0.000 0.662 201 V HN 0.437 nan 8.190 nan 0.000 0.455 202 R N 0.197 120.674 120.500 -0.039 0.000 2.073 202 R HA -0.174 4.165 4.340 -0.000 0.000 0.234 202 R C 2.277 178.633 176.300 0.094 0.000 1.134 202 R CA 1.718 57.833 56.100 0.024 0.000 0.952 202 R CB -0.209 30.098 30.300 0.011 0.000 0.850 202 R HN 0.443 nan 8.270 nan 0.000 0.433 203 E N 0.032 120.271 120.200 0.065 0.000 2.153 203 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 203 E C 1.515 178.372 176.600 0.429 0.000 0.988 203 E CA 0.880 57.400 56.400 0.200 0.000 0.811 203 E CB -0.100 29.748 29.700 0.248 0.000 0.746 203 E HN 0.351 nan 8.360 nan 0.000 0.466 204 F N 0.339 120.447 119.950 0.264 0.000 2.797 204 F HA 0.108 4.634 4.527 -0.000 0.000 0.302 204 F C 1.775 177.753 175.800 0.296 0.000 1.130 204 F CA 0.352 58.573 58.000 0.369 0.000 1.387 204 F CB 0.237 39.402 39.000 0.276 0.000 1.107 204 F HN -0.057 nan 8.300 nan 0.000 0.577 205 Q N -0.506 119.512 119.800 0.364 0.000 2.185 205 Q HA 0.104 4.444 4.340 -0.000 0.000 0.234 205 Q C 2.030 178.135 176.000 0.175 0.000 0.819 205 Q CA -0.002 55.948 55.803 0.244 0.000 0.961 205 Q CB 0.336 29.192 28.738 0.196 0.000 1.140 205 Q HN 0.484 nan 8.270 nan 0.000 0.492 206 R N 0.920 121.529 120.500 0.182 0.000 2.285 206 R HA -0.029 4.310 4.340 -0.000 0.000 0.213 206 R C 1.863 178.214 176.300 0.085 0.000 1.068 206 R CA 0.923 57.099 56.100 0.125 0.000 1.004 206 R CB -0.382 29.994 30.300 0.126 0.000 0.873 206 R HN 0.084 nan 8.270 nan 0.000 0.467 207 M N 0.207 119.857 119.600 0.084 0.000 2.374 207 M HA -0.025 4.455 4.480 -0.000 0.000 0.264 207 M C 1.662 177.983 176.300 0.034 0.000 1.067 207 M CA 1.388 56.707 55.300 0.031 0.000 1.103 207 M CB -0.719 31.871 32.600 -0.016 0.000 1.402 207 M HN 0.188 nan 8.290 nan 0.000 0.444 208 I N 1.580 122.188 120.570 0.064 0.000 2.142 208 I HA -0.184 3.985 4.170 -0.000 0.000 0.240 208 I C 2.817 178.987 176.117 0.090 0.000 1.078 208 I CA 1.650 62.995 61.300 0.075 0.000 1.343 208 I CB -1.126 36.924 38.000 0.083 0.000 1.046 208 I HN 0.430 nan 8.210 nan 0.000 0.405 209 G N 0.062 108.919 108.800 0.095 0.000 2.408 209 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.217 209 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.217 209 G C 1.502 176.339 174.900 -0.105 0.000 1.150 209 G CA 0.413 45.571 45.100 0.096 0.000 0.776 209 G HN 0.409 nan 8.290 nan 0.000 0.542 210 E N 0.456 120.601 120.200 -0.092 0.000 2.051 210 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 210 E C 2.404 178.963 176.600 -0.068 0.000 0.991 210 E CA 1.133 57.462 56.400 -0.117 0.000 0.799 210 E CB -0.103 29.561 29.700 -0.061 0.000 0.748 210 E HN 0.547 nan 8.360 nan 0.000 0.449 211 E N 0.135 120.323 120.200 -0.019 0.000 2.072 211 E HA -0.132 4.218 4.350 -0.000 0.000 0.191 211 E C 2.184 178.797 176.600 0.022 0.000 0.985 211 E CA 1.399 57.798 56.400 -0.001 0.000 0.801 211 E CB -0.045 29.660 29.700 0.009 0.000 0.750 211 E HN 0.156 nan 8.360 nan 0.000 0.452 212 T N 1.332 115.928 114.554 0.069 0.000 2.720 212 T HA -0.224 4.126 4.350 -0.000 0.000 0.268 212 T C 1.810 176.609 174.700 0.164 0.000 1.037 212 T CA 1.588 63.768 62.100 0.134 0.000 1.144 212 T CB -0.148 68.877 68.868 0.262 0.000 0.864 212 T HN 0.137 nan 8.240 nan 0.000 0.444 213 K N 1.042 121.529 120.400 0.144 0.000 2.026 213 K HA -0.063 4.257 4.320 -0.000 0.000 0.208 213 K C 2.537 179.160 176.600 0.038 0.000 1.048 213 K CA 1.352 57.708 56.287 0.114 0.000 0.929 213 K CB -0.369 32.009 32.500 -0.204 0.000 0.713 213 K HN 0.272 nan 8.250 nan 0.000 0.439 214 A N 1.046 123.861 122.820 -0.007 0.000 1.902 214 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 214 A C 2.039 179.615 177.584 -0.014 0.000 1.181 214 A CA 1.645 53.674 52.037 -0.013 0.000 0.623 214 A CB -0.538 18.450 19.000 -0.020 0.000 0.818 214 A HN 0.523 nan 8.150 nan 0.000 0.443 215 Q N -1.354 118.436 119.800 -0.016 0.000 2.079 215 Q HA -0.084 4.256 4.340 -0.000 0.000 0.200 215 Q C 1.997 177.936 176.000 -0.100 0.000 0.974 215 Q CA 1.333 57.111 55.803 -0.042 0.000 0.840 215 Q CB -0.252 28.467 28.738 -0.032 0.000 0.898 215 Q HN 0.637 nan 8.270 nan 0.000 0.430 216 I N 0.459 120.961 120.570 -0.113 0.000 2.439 216 I HA -0.194 3.976 4.170 -0.000 0.000 0.251 216 I C 1.746 177.799 176.117 -0.107 0.000 1.139 216 I CA 1.082 62.261 61.300 -0.203 0.000 1.438 216 I CB 0.014 37.916 38.000 -0.163 0.000 1.085 216 I HN 0.152 nan 8.210 nan 0.000 0.427 217 L N -0.079 121.121 121.223 -0.038 0.000 2.093 217 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 217 L C 2.156 179.013 176.870 -0.021 0.000 1.085 217 L CA 1.798 56.628 54.840 -0.016 0.000 0.755 217 L CB -0.687 41.374 42.059 0.003 0.000 0.904 217 L HN 0.295 nan 8.230 nan 0.000 0.435 218 D N 0.116 120.500 120.400 -0.027 0.000 2.117 218 D HA -0.180 4.460 4.640 -0.000 0.000 0.198 218 D C 2.102 178.394 176.300 -0.014 0.000 0.982 218 D CA 1.425 55.415 54.000 -0.016 0.000 0.828 218 D CB 0.215 41.007 40.800 -0.014 0.000 0.967 218 D HN 0.131 nan 8.370 nan 0.000 0.464 219 K N -0.637 119.741 120.400 -0.037 0.000 2.186 219 K HA 0.064 4.384 4.320 -0.000 0.000 0.202 219 K C 1.508 178.116 176.600 0.014 0.000 1.052 219 K CA 0.746 57.029 56.287 -0.007 0.000 0.965 219 K CB 0.324 32.808 32.500 -0.027 0.000 0.746 219 K HN 0.085 nan 8.250 nan 0.000 0.457 220 E N -0.851 119.334 120.200 -0.025 0.000 2.514 220 E HA 0.084 4.433 4.350 -0.000 0.000 0.215 220 E C 0.784 177.387 176.600 0.005 0.000 0.946 220 E CA 0.471 56.876 56.400 0.008 0.000 1.038 220 E CB 1.400 31.099 29.700 -0.002 0.000 1.069 220 E HN 0.380 nan 8.360 nan 0.000 0.503 221 G N 2.999 111.796 108.800 -0.005 0.000 2.153 221 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.252 221 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.252 221 G C 0.308 175.211 174.900 0.005 0.000 0.994 221 G CA 1.044 46.146 45.100 0.002 0.000 0.698 221 G HN 0.355 nan 8.290 nan 0.000 0.521 222 R N -1.865 118.636 120.500 0.002 0.000 2.728 222 R HA 0.711 5.051 4.340 -0.000 0.000 0.274 222 R C -0.673 175.634 176.300 0.011 0.000 1.030 222 R CA -1.286 54.820 56.100 0.010 0.000 0.876 222 R CB 0.647 30.952 30.300 0.008 0.000 1.259 222 R HN 0.165 nan 8.270 nan 0.000 0.468 223 L N 0.702 121.940 121.223 0.026 0.000 2.456 223 L HA 0.488 4.828 4.340 -0.000 0.000 0.257 223 L C -1.965 174.885 176.870 -0.033 0.000 1.162 223 L CA -2.248 52.613 54.840 0.036 0.000 0.808 223 L CB 0.757 42.867 42.059 0.085 0.000 1.136 223 L HN 0.458 nan 8.230 nan 0.000 0.466 224 P HA 0.064 nan 4.420 nan 0.000 0.272 224 P C -0.352 176.872 177.300 -0.126 0.000 1.230 224 P CA -0.303 62.717 63.100 -0.133 0.000 0.788 224 P CB 0.634 32.192 31.700 -0.236 0.000 0.949 225 D N -0.093 120.254 120.400 -0.088 0.000 2.234 225 D HA 0.115 4.755 4.640 -0.000 0.000 0.205 225 D C 0.459 176.692 176.300 -0.112 0.000 0.962 225 D CA 1.144 55.097 54.000 -0.078 0.000 0.855 225 D CB 0.295 41.066 40.800 -0.049 0.000 0.951 225 D HN 0.411 nan 8.370 nan 0.000 0.500 226 A N 0.007 122.747 122.820 -0.133 0.000 2.594 226 A HA 0.488 4.807 4.320 -0.000 0.000 0.296 226 A C -1.101 176.385 177.584 -0.163 0.000 1.061 226 A CA -0.759 51.184 52.037 -0.156 0.000 0.689 226 A CB 1.406 20.349 19.000 -0.096 0.000 1.280 226 A HN -0.059 nan 8.150 nan 0.000 0.406 227 V N -0.346 119.455 119.914 -0.188 0.000 2.555 227 V HA 0.890 5.010 4.120 -0.000 0.000 0.302 227 V C -0.553 175.573 176.094 0.053 0.000 1.038 227 V CA -0.651 61.593 62.300 -0.093 0.000 0.887 227 V CB 1.096 32.831 31.823 -0.147 0.000 0.991 227 V HN 0.697 nan 8.190 nan 0.000 0.434 228 I N 3.827 124.456 120.570 0.099 0.000 2.465 228 I HA 0.913 5.083 4.170 -0.000 0.000 0.291 228 I C 0.145 176.331 176.117 0.115 0.000 1.014 228 I CA -0.697 60.681 61.300 0.129 0.000 1.093 228 I CB 1.956 40.021 38.000 0.108 0.000 1.267 228 I HN 0.996 nan 8.210 nan 0.000 0.431 229 A N 4.164 127.041 122.820 0.096 0.000 2.549 229 A HA 0.690 5.009 4.320 -0.000 0.000 0.297 229 A C -0.454 177.097 177.584 -0.056 0.000 1.061 229 A CA -0.704 51.317 52.037 -0.026 0.000 0.690 229 A CB 1.164 20.064 19.000 -0.168 0.000 1.287 229 A HN 0.946 nan 8.150 nan 0.000 0.402 230 C N 0.472 119.731 119.300 -0.067 0.000 2.656 230 C HA 0.757 5.217 4.460 -0.000 0.000 0.391 230 C C 0.130 175.032 174.990 -0.146 0.000 1.300 230 C CA -0.526 58.450 59.018 -0.070 0.000 2.302 230 C CB -0.219 27.493 27.740 -0.047 0.000 2.655 230 C HN 0.708 nan 8.230 nan 0.000 0.656 231 V N 3.656 123.486 119.914 -0.140 0.000 2.419 231 V HA 0.582 4.702 4.120 -0.000 0.000 0.287 231 V C 0.787 176.798 176.094 -0.138 0.000 1.017 231 V CA 0.659 62.848 62.300 -0.185 0.000 0.844 231 V CB 0.775 32.476 31.823 -0.202 0.000 1.011 231 V HN 1.275 nan 8.190 nan 0.000 0.429 232 G N 3.152 111.880 108.800 -0.120 0.000 2.729 232 G HA2 0.279 4.239 3.960 -0.000 0.000 0.211 232 G HA3 0.279 4.239 3.960 -0.000 0.000 0.211 232 G C 1.180 176.090 174.900 0.017 0.000 1.182 232 G CA 0.934 45.999 45.100 -0.058 0.000 0.851 232 G HN 0.816 nan 8.290 nan 0.000 0.607 233 G N -1.237 107.505 108.800 -0.097 0.000 2.743 233 G HA2 0.403 4.363 3.960 -0.000 0.000 0.206 233 G HA3 0.403 4.363 3.960 -0.000 0.000 0.206 233 G C 1.055 175.891 174.900 -0.107 0.000 1.115 233 G CA 0.873 45.862 45.100 -0.186 0.000 0.782 233 G HN 1.635 nan 8.290 nan 0.000 0.524 234 G N 0.100 108.828 108.800 -0.120 0.000 2.205 234 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.180 234 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.180 234 G C 1.508 176.437 174.900 0.048 0.000 1.004 234 G CA 1.042 46.107 45.100 -0.058 0.000 0.670 234 G HN 1.188 nan 8.290 nan 0.000 0.496 235 S N 1.399 117.084 115.700 -0.026 0.000 2.355 235 S HA -0.139 4.330 4.470 -0.000 0.000 0.222 235 S C 2.180 176.759 174.600 -0.034 0.000 1.031 235 S CA 1.689 59.898 58.200 0.017 0.000 0.993 235 S CB -0.584 62.660 63.200 0.073 0.000 0.859 235 S HN 0.939 nan 8.310 nan 0.000 0.453 236 N N 2.901 121.459 118.700 -0.237 0.000 2.244 236 N HA -0.048 4.692 4.740 -0.000 0.000 0.183 236 N C 1.905 177.221 175.510 -0.324 0.000 1.016 236 N CA 1.299 54.057 53.050 -0.486 0.000 0.866 236 N CB -0.555 37.260 38.487 -1.120 0.000 0.980 236 N HN 0.557 nan 8.380 nan 0.000 0.430 237 A N 1.345 123.953 122.820 -0.353 0.000 1.873 237 A HA -0.005 4.315 4.320 -0.000 0.000 0.215 237 A C 2.217 179.380 177.584 -0.703 0.000 1.186 237 A CA 0.841 52.502 52.037 -0.626 0.000 0.616 237 A CB -0.616 17.986 19.000 -0.663 0.000 0.823 237 A HN 0.275 nan 8.150 nan 0.000 0.442 238 I N 0.180 120.623 120.570 -0.213 0.000 2.546 238 I HA -0.047 4.123 4.170 -0.000 0.000 0.255 238 I C 2.256 178.357 176.117 -0.026 0.000 1.163 238 I CA 1.157 62.385 61.300 -0.120 0.000 1.457 238 I CB -0.461 37.455 38.000 -0.140 0.000 1.092 238 I HN 0.237 nan 8.210 nan 0.000 0.434 239 G N 0.065 108.846 108.800 -0.032 0.000 2.408 239 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.217 239 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.217 239 G C 1.598 176.543 174.900 0.076 0.000 1.150 239 G CA 1.054 46.181 45.100 0.044 0.000 0.776 239 G HN 0.386 nan 8.290 nan 0.000 0.542 240 M N -0.137 119.487 119.600 0.039 0.000 2.193 240 M HA 0.258 4.738 4.480 -0.000 0.000 0.265 240 M C 1.965 178.539 176.300 0.456 0.000 1.071 240 M CA 0.952 56.368 55.300 0.193 0.000 1.140 240 M CB -0.428 32.246 32.600 0.124 0.000 1.369 240 M HN 0.085 nan 8.290 nan 0.000 0.423 241 F N 0.755 120.825 119.950 0.199 0.000 2.146 241 F HA 0.079 4.606 4.527 -0.000 0.000 0.298 241 F C 2.565 178.486 175.800 0.202 0.000 1.096 241 F CA 0.689 58.821 58.000 0.220 0.000 1.275 241 F CB -2.052 37.034 39.000 0.144 0.000 1.008 241 F HN 0.286 nan 8.300 nan 0.000 0.480 242 A N 0.451 123.464 122.820 0.321 0.000 1.893 242 A HA -0.364 3.956 4.320 -0.000 0.000 0.222 242 A C 1.987 179.634 177.584 0.104 0.000 1.309 242 A CA 2.640 54.786 52.037 0.181 0.000 0.681 242 A CB -1.435 17.640 19.000 0.124 0.000 0.842 242 A HN 0.343 nan 8.150 nan 0.000 0.468 243 D N -2.375 118.018 120.400 -0.013 0.000 2.350 243 D HA -0.011 4.629 4.640 -0.000 0.000 0.216 243 D C 0.982 177.109 176.300 -0.287 0.000 0.968 243 D CA 0.690 54.573 54.000 -0.194 0.000 0.894 243 D CB -0.157 40.430 40.800 -0.354 0.000 0.909 243 D HN 0.450 nan 8.370 nan 0.000 0.520 244 F N -0.644 119.351 119.950 0.074 0.000 2.721 244 F HA 0.317 4.844 4.527 -0.000 0.000 0.301 244 F C 1.773 177.585 175.800 0.019 0.000 1.096 244 F CA -0.260 57.763 58.000 0.038 0.000 1.308 244 F CB -0.048 38.969 39.000 0.027 0.000 1.086 244 F HN -0.040 nan 8.300 nan 0.000 0.587 245 I N 0.435 121.116 120.570 0.186 0.000 2.194 245 I HA -0.350 3.820 4.170 -0.000 0.000 0.246 245 I C 1.580 177.754 176.117 0.094 0.000 1.093 245 I CA 1.342 62.715 61.300 0.123 0.000 1.355 245 I CB -0.291 37.788 38.000 0.131 0.000 1.046 245 I HN 0.123 nan 8.210 nan 0.000 0.413 246 N N 0.304 119.057 118.700 0.088 0.000 2.461 246 N HA -0.034 4.706 4.740 -0.000 0.000 0.188 246 N C -0.181 175.369 175.510 0.067 0.000 1.134 246 N CA 0.646 53.737 53.050 0.069 0.000 0.878 246 N CB -0.139 38.381 38.487 0.056 0.000 0.972 246 N HN 0.292 nan 8.380 nan 0.000 0.456 247 D N 0.521 120.978 120.400 0.096 0.000 2.524 247 D HA 0.039 4.679 4.640 -0.000 0.000 0.222 247 D C 1.167 177.506 176.300 0.066 0.000 1.142 247 D CA 0.051 54.111 54.000 0.100 0.000 0.973 247 D CB 0.586 41.497 40.800 0.186 0.000 1.025 247 D HN 0.226 nan 8.370 nan 0.000 0.519 248 T N -1.886 112.691 114.554 0.038 0.000 2.869 248 T HA -0.237 4.113 4.350 -0.000 0.000 0.270 248 T C 1.864 176.561 174.700 -0.005 0.000 1.082 248 T CA 1.431 63.539 62.100 0.013 0.000 1.123 248 T CB -0.079 68.796 68.868 0.011 0.000 0.856 248 T HN 0.243 nan 8.240 nan 0.000 0.499 249 S N 0.241 115.942 115.700 0.002 0.000 2.527 249 S HA 0.178 4.648 4.470 -0.000 0.000 0.222 249 S C 0.645 175.220 174.600 -0.040 0.000 0.985 249 S CA -0.406 57.785 58.200 -0.015 0.000 0.921 249 S CB -0.440 62.757 63.200 -0.004 0.000 0.772 249 S HN 0.382 nan 8.310 nan 0.000 0.529 250 V N 2.636 122.524 119.914 -0.045 0.000 2.385 250 V HA 0.596 4.716 4.120 -0.000 0.000 0.269 250 V C 1.073 177.073 176.094 -0.156 0.000 1.043 250 V CA -0.445 61.785 62.300 -0.116 0.000 0.906 250 V CB 0.429 32.165 31.823 -0.145 0.000 0.995 250 V HN 0.447 nan 8.190 nan 0.000 0.467 251 G N 5.215 113.911 108.800 -0.173 0.000 2.442 251 G HA2 0.513 4.473 3.960 -0.000 0.000 0.249 251 G HA3 0.513 4.473 3.960 -0.000 0.000 0.249 251 G C -0.616 174.099 174.900 -0.309 0.000 1.263 251 G CA -0.478 44.502 45.100 -0.200 0.000 0.846 251 G HN 0.642 nan 8.290 nan 0.000 0.555 252 L N 2.414 123.377 121.223 -0.435 0.000 2.319 252 L HA 0.471 4.810 4.340 -0.000 0.000 0.281 252 L C -0.384 176.079 176.870 -0.677 0.000 1.005 252 L CA -0.465 53.879 54.840 -0.827 0.000 0.828 252 L CB 1.598 42.894 42.059 -1.272 0.000 1.227 252 L HN 0.315 nan 8.230 nan 0.000 0.415 253 I N 2.608 122.947 120.570 -0.385 0.000 2.410 253 I HA 0.455 4.625 4.170 -0.000 0.000 0.286 253 I C 0.502 176.600 176.117 -0.032 0.000 1.009 253 I CA -0.374 60.778 61.300 -0.247 0.000 1.111 253 I CB 1.952 39.878 38.000 -0.124 0.000 1.262 253 I HN 0.616 nan 8.210 nan 0.000 0.443 254 G N 5.508 114.147 108.800 -0.267 0.000 2.356 254 G HA2 0.589 4.549 3.960 -0.000 0.000 0.322 254 G HA3 0.589 4.549 3.960 -0.000 0.000 0.322 254 G C -0.788 174.093 174.900 -0.033 0.000 1.125 254 G CA -0.346 44.724 45.100 -0.050 0.000 0.885 254 G HN 0.330 nan 8.290 nan 0.000 0.467 255 V N 2.758 122.667 119.914 -0.008 0.000 2.350 255 V HA 0.303 4.422 4.120 -0.000 0.000 0.285 255 V C 0.048 176.145 176.094 0.004 0.000 1.014 255 V CA -0.748 61.545 62.300 -0.012 0.000 0.831 255 V CB 1.054 32.888 31.823 0.017 0.000 1.000 255 V HN 0.789 nan 8.190 nan 0.000 0.433 256 E N 6.367 126.580 120.200 0.022 0.000 2.283 256 E HA 0.362 4.712 4.350 -0.000 0.000 0.271 256 E C -2.465 174.137 176.600 0.002 0.000 1.031 256 E CA -1.953 54.443 56.400 -0.007 0.000 0.868 256 E CB 1.501 31.213 29.700 0.020 0.000 1.094 256 E HN 0.433 nan 8.360 nan 0.000 0.401 257 P HA 0.034 nan 4.420 nan 0.000 0.281 257 P C 0.003 177.349 177.300 0.076 0.000 1.252 257 P CA -0.028 63.042 63.100 -0.049 0.000 0.778 257 P CB 1.143 32.691 31.700 -0.254 0.000 0.895 258 G N 2.306 111.186 108.800 0.133 0.000 2.939 258 G HA2 0.270 4.229 3.960 -0.000 0.000 0.210 258 G HA3 0.270 4.229 3.960 -0.000 0.000 0.210 258 G C 0.963 175.958 174.900 0.158 0.000 1.160 258 G CA 0.512 45.676 45.100 0.108 0.000 0.770 258 G HN 0.802 nan 8.290 nan 0.000 0.543 259 G N 0.814 109.688 108.800 0.123 0.000 2.622 259 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.307 259 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.307 259 G C 0.890 175.873 174.900 0.138 0.000 1.226 259 G CA 0.561 45.726 45.100 0.108 0.000 0.997 259 G HN 0.399 nan 8.290 nan 0.000 0.551 260 H N 2.565 121.834 119.070 0.331 0.000 2.547 260 H HA 0.399 4.955 4.556 -0.000 0.000 0.266 260 H C 1.501 176.896 175.328 0.111 0.000 0.988 260 H CA 1.487 57.637 56.048 0.170 0.000 1.147 260 H CB -0.147 29.658 29.762 0.072 0.000 1.365 260 H HN 1.785 nan 8.280 nan 0.000 0.589 261 G N 0.326 109.251 108.800 0.207 0.000 2.653 261 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.656 261 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.656 261 G C 0.453 175.408 174.900 0.092 0.000 1.419 261 G CA -0.557 44.612 45.100 0.115 0.000 0.862 261 G HN -0.012 nan 8.290 nan 0.000 0.639 262 I N 1.544 122.086 120.570 -0.047 0.000 2.194 262 I HA -0.173 3.997 4.170 -0.000 0.000 0.246 262 I C 2.870 178.961 176.117 -0.043 0.000 1.093 262 I CA 2.407 63.580 61.300 -0.212 0.000 1.355 262 I CB -0.778 36.880 38.000 -0.570 0.000 1.046 262 I HN 0.870 nan 8.210 nan 0.000 0.413 263 E N 1.137 121.319 120.200 -0.029 0.000 2.333 263 E HA -0.203 4.146 4.350 -0.000 0.000 0.198 263 E C 1.728 178.357 176.600 0.048 0.000 1.007 263 E CA 1.729 58.133 56.400 0.007 0.000 0.845 263 E CB -1.043 28.658 29.700 0.003 0.000 0.766 263 E HN 0.612 nan 8.360 nan 0.000 0.507 264 T N -3.391 111.212 114.554 0.082 0.000 3.067 264 T HA 0.279 4.628 4.350 -0.000 0.000 0.261 264 T C 1.664 176.417 174.700 0.089 0.000 1.110 264 T CA 1.018 63.167 62.100 0.081 0.000 1.113 264 T CB -0.197 68.735 68.868 0.107 0.000 0.917 264 T HN 0.386 nan 8.240 nan 0.000 0.499 265 G N 1.409 110.296 108.800 0.147 0.000 2.205 265 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.261 265 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.261 265 G C -0.044 174.835 174.900 -0.034 0.000 0.980 265 G CA 0.196 45.347 45.100 0.085 0.000 0.632 265 G HN 0.648 nan 8.290 nan 0.000 0.533 266 E N 1.129 121.379 120.200 0.083 0.000 1.998 266 E HA 0.509 4.859 4.350 -0.000 0.000 0.257 266 E C 0.316 177.068 176.600 0.253 0.000 1.038 266 E CA -0.083 56.377 56.400 0.101 0.000 0.869 266 E CB 0.159 29.933 29.700 0.124 0.000 1.135 266 E HN 0.878 nan 8.360 nan 0.000 0.430 267 H N -1.398 117.780 119.070 0.179 0.000 2.984 267 H HA 0.646 5.201 4.556 -0.000 0.000 0.277 267 H C -0.056 175.307 175.328 0.059 0.000 1.502 267 H CA -1.246 54.871 56.048 0.114 0.000 1.195 267 H CB 1.020 30.819 29.762 0.062 0.000 1.866 267 H HN 0.176 nan 8.280 nan 0.000 0.594 268 G N -1.032 107.933 108.800 0.274 0.000 4.885 268 G HA2 0.538 4.498 3.960 -0.000 0.000 0.263 268 G HA3 0.538 4.498 3.960 -0.000 0.000 0.263 268 G C -0.589 174.423 174.900 0.186 0.000 1.168 268 G CA -0.011 45.176 45.100 0.146 0.000 0.906 268 G HN 0.853 nan 8.290 nan 0.000 0.575 269 A N 1.765 124.820 122.820 0.391 0.000 3.150 269 A HA 0.659 4.979 4.320 -0.000 0.000 0.328 269 A C -0.932 176.754 177.584 0.170 0.000 1.104 269 A CA -1.216 50.929 52.037 0.180 0.000 0.937 269 A CB 0.893 19.963 19.000 0.117 0.000 1.073 269 A HN 0.192 nan 8.150 nan 0.000 0.497 270 P HA -0.178 nan 4.420 nan 0.000 0.219 270 P C 1.642 178.926 177.300 -0.026 0.000 1.150 270 P CA 0.557 63.692 63.100 0.059 0.000 0.814 270 P CB 0.268 31.969 31.700 0.003 0.000 0.787 271 L N -0.516 120.646 121.223 -0.102 0.000 2.012 271 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 271 L C 2.220 178.971 176.870 -0.199 0.000 1.073 271 L CA 1.894 56.611 54.840 -0.204 0.000 0.748 271 L CB -0.278 41.570 42.059 -0.353 0.000 0.891 271 L HN -0.150 nan 8.230 nan 0.000 0.431 272 K N -1.665 118.598 120.400 -0.228 0.000 2.352 272 K HA 0.106 4.426 4.320 -0.000 0.000 0.194 272 K C 0.906 177.120 176.600 -0.643 0.000 1.038 272 K CA 0.603 56.643 56.287 -0.412 0.000 1.023 272 K CB 0.233 32.439 32.500 -0.490 0.000 0.840 272 K HN 0.490 nan 8.250 nan 0.000 0.519 273 H N -1.107 117.950 119.070 -0.021 0.000 2.916 273 H HA 0.277 4.833 4.556 -0.000 0.000 0.262 273 H C 0.817 176.193 175.328 0.080 0.000 1.178 273 H CA -0.016 56.036 56.048 0.007 0.000 1.090 273 H CB 0.976 30.681 29.762 -0.096 0.000 1.657 273 H HN 0.071 nan 8.280 nan 0.000 0.601 274 G N 0.495 109.364 108.800 0.115 0.000 2.736 274 G HA2 0.519 4.479 3.960 -0.000 0.000 0.229 274 G HA3 0.519 4.479 3.960 -0.000 0.000 0.229 274 G C -0.545 174.397 174.900 0.070 0.000 1.380 274 G CA -0.646 44.517 45.100 0.105 0.000 1.040 274 G HN 0.158 nan 8.290 nan 0.000 0.568 275 R N -1.313 119.224 120.500 0.063 0.000 2.604 275 R HA 0.469 4.809 4.340 -0.000 0.000 0.281 275 R C -1.064 175.281 176.300 0.075 0.000 1.020 275 R CA -0.598 55.540 56.100 0.063 0.000 0.899 275 R CB 2.149 32.481 30.300 0.053 0.000 1.205 275 R HN 0.357 nan 8.270 nan 0.000 0.450 276 V N 3.274 123.249 119.914 0.103 0.000 2.673 276 V HA 0.394 4.514 4.120 -0.000 0.000 0.303 276 V C 0.920 177.067 176.094 0.089 0.000 1.046 276 V CA 1.003 63.387 62.300 0.140 0.000 1.126 276 V CB 0.893 32.839 31.823 0.205 0.000 0.934 276 V HN 0.960 nan 8.190 nan 0.000 0.487 277 G N 4.051 112.904 108.800 0.088 0.000 2.721 277 G HA2 0.724 4.684 3.960 -0.000 0.000 0.296 277 G HA3 0.724 4.684 3.960 -0.000 0.000 0.296 277 G C -1.472 173.439 174.900 0.018 0.000 1.383 277 G CA -0.811 44.312 45.100 0.038 0.000 0.788 277 G HN 0.545 nan 8.290 nan 0.000 0.500 278 I N 0.920 121.467 120.570 -0.038 0.000 2.411 278 I HA 0.525 4.695 4.170 -0.000 0.000 0.284 278 I C -1.167 174.974 176.117 0.040 0.000 1.012 278 I CA -0.549 60.678 61.300 -0.121 0.000 1.119 278 I CB 1.517 39.304 38.000 -0.354 0.000 1.261 278 I HN 0.646 nan 8.210 nan 0.000 0.448 279 Y N 5.625 125.882 120.300 -0.072 0.000 2.702 279 Y HA 0.306 4.855 4.550 -0.000 0.000 0.336 279 Y C -0.464 175.474 175.900 0.063 0.000 1.203 279 Y CA -0.869 57.139 58.100 -0.153 0.000 1.072 279 Y CB 1.257 39.474 38.460 -0.406 0.000 1.327 279 Y HN 0.472 nan 8.280 nan 0.000 0.456 280 F N 2.281 121.792 119.950 -0.732 0.000 3.057 280 F HA -0.230 4.297 4.527 -0.000 0.000 0.287 280 F C 1.272 177.022 175.800 -0.083 0.000 0.834 280 F CA 1.443 59.150 58.000 -0.488 0.000 1.147 280 F CB -1.626 37.188 39.000 -0.311 0.000 1.245 280 F HN 1.070 nan 8.300 nan 0.000 0.509 281 G N 0.055 108.954 108.800 0.164 0.000 2.155 281 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.257 281 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.257 281 G C 0.033 175.139 174.900 0.344 0.000 0.983 281 G CA 0.587 45.842 45.100 0.257 0.000 0.676 281 G HN 0.951 nan 8.290 nan 0.000 0.528 282 M N -2.499 117.286 119.600 0.308 0.000 2.622 282 M HA 0.759 5.239 4.480 -0.000 0.000 0.276 282 M C -0.809 175.593 176.300 0.170 0.000 1.265 282 M CA -1.242 54.251 55.300 0.322 0.000 0.850 282 M CB 1.765 34.526 32.600 0.268 0.000 1.720 282 M HN -0.018 nan 8.290 nan 0.000 0.465 283 K N 1.477 121.998 120.400 0.201 0.000 2.263 283 K HA 0.830 5.150 4.320 -0.000 0.000 0.272 283 K C -1.576 175.224 176.600 0.334 0.000 1.033 283 K CA -0.143 56.230 56.287 0.143 0.000 0.884 283 K CB 1.201 33.810 32.500 0.182 0.000 1.107 283 K HN 0.872 nan 8.250 nan 0.000 0.460 284 A N 4.883 127.873 122.820 0.283 0.000 2.586 284 A HA 0.515 4.835 4.320 -0.000 0.000 0.290 284 A C -2.995 174.690 177.584 0.168 0.000 1.086 284 A CA -1.367 50.832 52.037 0.271 0.000 0.665 284 A CB 1.280 20.384 19.000 0.173 0.000 1.279 284 A HN 0.526 nan 8.150 nan 0.000 0.423 285 P HA 0.439 nan 4.420 nan 0.000 0.268 285 P C -0.487 176.832 177.300 0.033 0.000 1.204 285 P CA 0.401 63.522 63.100 0.034 0.000 0.768 285 P CB 0.399 32.060 31.700 -0.065 0.000 0.842 286 M N -0.020 119.610 119.600 0.051 0.000 2.644 286 M HA 0.555 5.034 4.480 -0.000 0.000 0.273 286 M C -1.101 175.225 176.300 0.044 0.000 1.253 286 M CA -1.140 54.190 55.300 0.049 0.000 0.852 286 M CB 1.637 34.305 32.600 0.113 0.000 1.708 286 M HN -0.096 nan 8.290 nan 0.000 0.471 287 M N 3.136 122.754 119.600 0.029 0.000 2.143 287 M HA 0.342 4.822 4.480 -0.000 0.000 0.348 287 M C -0.718 175.585 176.300 0.005 0.000 1.375 287 M CA 0.437 55.747 55.300 0.018 0.000 1.124 287 M CB -0.167 32.427 32.600 -0.010 0.000 1.669 287 M HN 0.785 nan 8.290 nan 0.000 0.469 288 Q N 1.327 121.128 119.800 0.001 0.000 2.482 288 Q HA 0.642 4.981 4.340 -0.000 0.000 0.286 288 Q C -0.636 175.354 176.000 -0.017 0.000 1.007 288 Q CA -1.045 54.745 55.803 -0.022 0.000 0.801 288 Q CB 1.180 29.902 28.738 -0.028 0.000 1.455 288 Q HN 0.624 nan 8.270 nan 0.000 0.398 289 T N -1.838 112.697 114.554 -0.031 0.000 2.726 289 T HA 0.454 4.804 4.350 -0.000 0.000 0.294 289 T C 1.201 175.892 174.700 -0.015 0.000 1.013 289 T CA -0.011 62.075 62.100 -0.022 0.000 0.996 289 T CB 0.861 69.710 68.868 -0.031 0.000 1.016 289 T HN 0.797 nan 8.240 nan 0.000 0.529 290 A N 0.112 122.927 122.820 -0.008 0.000 2.070 290 A HA -0.013 4.306 4.320 -0.000 0.000 0.220 290 A C 1.894 179.472 177.584 -0.011 0.000 1.159 290 A CA 1.342 53.377 52.037 -0.003 0.000 0.656 290 A CB -0.856 18.144 19.000 0.001 0.000 0.800 290 A HN 0.854 nan 8.150 nan 0.000 0.453 291 D N -1.599 118.789 120.400 -0.020 0.000 2.323 291 D HA 0.230 4.870 4.640 -0.000 0.000 0.209 291 D C 1.405 177.682 176.300 -0.037 0.000 0.973 291 D CA 1.329 55.314 54.000 -0.026 0.000 0.874 291 D CB 0.177 40.959 40.800 -0.030 0.000 0.930 291 D HN 0.565 nan 8.370 nan 0.000 0.521 292 G N 0.115 108.889 108.800 -0.044 0.000 2.148 292 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.203 292 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.203 292 G C 0.038 174.877 174.900 -0.101 0.000 0.993 292 G CA -0.428 44.635 45.100 -0.062 0.000 0.661 292 G HN 0.141 nan 8.290 nan 0.000 0.518 293 Q N 0.502 120.243 119.800 -0.098 0.000 2.261 293 Q HA 0.471 4.811 4.340 -0.000 0.000 0.252 293 Q C 0.801 176.712 176.000 -0.149 0.000 0.915 293 Q CA -0.502 55.220 55.803 -0.135 0.000 0.915 293 Q CB 1.438 30.116 28.738 -0.100 0.000 1.204 293 Q HN 0.351 nan 8.270 nan 0.000 0.421 294 I N 2.109 122.539 120.570 -0.235 0.000 2.556 294 I HA 0.074 4.244 4.170 -0.000 0.000 0.284 294 I C 0.997 177.050 176.117 -0.106 0.000 1.114 294 I CA 0.369 61.544 61.300 -0.208 0.000 1.418 294 I CB -0.040 37.712 38.000 -0.413 0.000 1.394 294 I HN 0.504 nan 8.210 nan 0.000 0.552 295 E N 4.649 124.820 120.200 -0.048 0.000 2.405 295 E HA 0.485 4.835 4.350 -0.000 0.000 0.249 295 E C -0.682 175.925 176.600 0.011 0.000 1.028 295 E CA -0.829 55.558 56.400 -0.022 0.000 0.897 295 E CB 1.236 30.919 29.700 -0.028 0.000 1.262 295 E HN 0.493 nan 8.360 nan 0.000 0.442 296 E N 0.157 120.366 120.200 0.015 0.000 2.207 296 E HA 0.352 4.702 4.350 -0.000 0.000 0.270 296 E C -1.174 175.437 176.600 0.017 0.000 0.927 296 E CA -0.519 55.903 56.400 0.038 0.000 0.799 296 E CB 1.967 31.702 29.700 0.059 0.000 1.172 296 E HN 0.135 nan 8.360 nan 0.000 0.404 297 S N 1.468 117.179 115.700 0.018 0.000 2.499 297 S HA 0.206 4.676 4.470 -0.000 0.000 0.279 297 S C -1.168 173.449 174.600 0.029 0.000 1.219 297 S CA -0.456 57.743 58.200 -0.001 0.000 1.062 297 S CB 0.234 63.425 63.200 -0.015 0.000 0.978 297 S HN 0.380 nan 8.310 nan 0.000 0.489 298 Y N 2.499 122.769 120.300 -0.049 0.000 2.387 298 Y HA 0.672 5.221 4.550 -0.000 0.000 0.336 298 Y C -0.131 175.742 175.900 -0.046 0.000 1.067 298 Y CA -0.441 57.633 58.100 -0.043 0.000 1.114 298 Y CB 1.342 39.769 38.460 -0.055 0.000 1.208 298 Y HN 0.586 nan 8.280 nan 0.000 0.458 299 S N 5.819 120.614 115.700 -1.509 0.000 2.543 299 S HA 0.259 4.729 4.470 -0.000 0.000 0.274 299 S C 0.186 174.239 174.600 -0.912 0.000 1.149 299 S CA -0.673 56.868 58.200 -1.098 0.000 0.866 299 S CB 0.787 63.719 63.200 -0.447 0.000 1.111 299 S HN 0.984 nan 8.310 nan 0.000 0.457 300 I N 2.757 123.039 120.570 -0.480 0.000 2.454 300 I HA 0.012 4.182 4.170 -0.000 0.000 0.254 300 I C 0.797 176.863 176.117 -0.084 0.000 1.156 300 I CA 1.182 62.398 61.300 -0.139 0.000 1.433 300 I CB -0.003 37.990 38.000 -0.011 0.000 1.082 300 I HN 0.537 nan 8.210 nan 0.000 0.432 301 S N 0.274 115.924 115.700 -0.084 0.000 2.410 301 S HA 0.479 4.949 4.470 -0.000 0.000 0.304 301 S C 1.088 175.639 174.600 -0.082 0.000 1.095 301 S CA -0.013 58.164 58.200 -0.039 0.000 1.089 301 S CB 1.406 64.614 63.200 0.014 0.000 0.968 301 S HN 0.400 nan 8.310 nan 0.000 0.480 302 A N 4.683 127.481 122.820 -0.037 0.000 1.978 302 A HA 0.023 4.343 4.320 -0.000 0.000 0.220 302 A C 2.077 179.649 177.584 -0.020 0.000 1.170 302 A CA 1.817 53.841 52.037 -0.022 0.000 0.636 302 A CB -1.172 17.837 19.000 0.015 0.000 0.810 302 A HN 0.968 nan 8.150 nan 0.000 0.448 303 G N -0.806 107.984 108.800 -0.017 0.000 2.509 303 G HA2 0.032 3.991 3.960 -0.000 0.000 0.218 303 G HA3 0.032 3.991 3.960 -0.000 0.000 0.218 303 G C 1.099 175.973 174.900 -0.044 0.000 1.124 303 G CA 0.767 45.857 45.100 -0.016 0.000 0.776 303 G HN 0.474 nan 8.290 nan 0.000 0.547 304 L N 0.242 121.414 121.223 -0.085 0.000 2.818 304 L HA 0.262 4.602 4.340 -0.000 0.000 0.243 304 L C 0.348 177.176 176.870 -0.070 0.000 1.185 304 L CA -0.187 54.586 54.840 -0.112 0.000 0.988 304 L CB 0.569 42.482 42.059 -0.244 0.000 1.292 304 L HN -0.087 nan 8.230 nan 0.000 0.519 305 D N 0.542 120.923 120.400 -0.030 0.000 2.413 305 D HA 0.015 4.655 4.640 -0.000 0.000 0.237 305 D C -0.058 176.295 176.300 0.089 0.000 1.171 305 D CA 0.150 54.151 54.000 0.002 0.000 0.839 305 D CB -0.064 40.738 40.800 0.002 0.000 0.950 305 D HN -0.003 nan 8.370 nan 0.000 0.499 306 F N 2.261 122.159 119.950 -0.088 0.000 2.445 306 F HA 0.252 4.778 4.527 -0.000 0.000 0.359 306 F C -1.471 174.291 175.800 -0.062 0.000 1.101 306 F CA -2.765 55.166 58.000 -0.114 0.000 1.177 306 F CB 1.222 40.103 39.000 -0.199 0.000 1.110 306 F HN -0.094 nan 8.300 nan 0.000 0.522 307 P HA -0.050 nan 4.420 nan 0.000 0.239 307 P C 0.042 177.123 177.300 -0.366 0.000 1.184 307 P CA 0.682 63.628 63.100 -0.256 0.000 0.760 307 P CB 0.422 32.114 31.700 -0.015 0.000 0.884 308 S N -1.694 113.465 115.700 -0.901 0.000 3.132 308 S HA 0.668 5.138 4.470 -0.000 0.000 0.322 308 S C -1.385 173.073 174.600 -0.237 0.000 1.124 308 S CA -0.597 57.291 58.200 -0.520 0.000 0.906 308 S CB 1.419 64.335 63.200 -0.474 0.000 1.349 308 S HN -0.113 nan 8.310 nan 0.000 0.686 309 V N 0.192 120.110 119.914 0.006 0.000 3.147 309 V HA 0.704 4.824 4.120 -0.000 0.000 0.299 309 V C 0.061 176.216 176.094 0.102 0.000 1.302 309 V CA 0.038 62.396 62.300 0.097 0.000 1.015 309 V CB 1.329 33.111 31.823 -0.068 0.000 1.086 309 V HN 1.198 nan 8.190 nan 0.000 0.437 310 G N 4.670 113.530 108.800 0.100 0.000 2.353 310 G HA2 0.318 4.277 3.960 -0.000 0.000 0.239 310 G HA3 0.318 4.277 3.960 -0.000 0.000 0.239 310 G C -1.204 173.688 174.900 -0.013 0.000 1.295 310 G CA -0.018 45.117 45.100 0.058 0.000 0.884 310 G HN 0.709 nan 8.290 nan 0.000 0.537 311 P HA -0.185 nan 4.420 nan 0.000 0.218 311 P C 1.390 178.614 177.300 -0.126 0.000 1.149 311 P CA 1.123 64.251 63.100 0.046 0.000 0.817 311 P CB 0.266 32.151 31.700 0.309 0.000 0.785 312 Q N -1.095 118.364 119.800 -0.568 0.000 2.167 312 Q HA -0.176 4.163 4.340 -0.000 0.000 0.202 312 Q C 2.282 178.107 176.000 -0.291 0.000 0.970 312 Q CA 1.094 56.429 55.803 -0.781 0.000 0.855 312 Q CB -0.281 27.707 28.738 -1.249 0.000 0.911 312 Q HN 0.354 nan 8.270 nan 0.000 0.438 313 H N -0.613 118.360 119.070 -0.162 0.000 2.357 313 H HA -0.027 4.529 4.556 -0.000 0.000 0.301 313 H C 1.954 177.094 175.328 -0.312 0.000 1.082 313 H CA 1.359 57.338 56.048 -0.116 0.000 1.342 313 H CB -0.142 29.497 29.762 -0.205 0.000 1.389 313 H HN 0.426 nan 8.280 nan 0.000 0.511 314 A N 0.783 123.401 122.820 -0.337 0.000 1.933 314 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 314 A C 2.291 179.619 177.584 -0.427 0.000 1.175 314 A CA 1.568 53.188 52.037 -0.695 0.000 0.628 314 A CB -0.896 17.253 19.000 -1.418 0.000 0.814 314 A HN 0.468 nan 8.150 nan 0.000 0.444 315 Y N 0.395 120.607 120.300 -0.146 0.000 2.184 315 Y HA -0.070 4.480 4.550 -0.000 0.000 0.290 315 Y C 1.911 177.919 175.900 0.180 0.000 1.129 315 Y CA 1.607 59.866 58.100 0.264 0.000 1.144 315 Y CB -0.420 38.279 38.460 0.399 0.000 0.995 315 Y HN 0.190 nan 8.280 nan 0.000 0.513 316 L N 0.669 121.880 121.223 -0.020 0.000 2.127 316 L HA -0.264 4.075 4.340 -0.000 0.000 0.211 316 L C 2.537 179.416 176.870 0.014 0.000 1.089 316 L CA 1.783 56.592 54.840 -0.052 0.000 0.757 316 L CB -0.713 41.437 42.059 0.151 0.000 0.899 316 L HN 0.442 nan 8.230 nan 0.000 0.434 317 N N -0.095 118.668 118.700 0.105 0.000 2.135 317 N HA -0.194 4.546 4.740 -0.000 0.000 0.186 317 N C 2.086 177.616 175.510 0.033 0.000 1.027 317 N CA 1.578 54.710 53.050 0.137 0.000 0.849 317 N CB 0.113 38.617 38.487 0.030 0.000 1.002 317 N HN 0.349 nan 8.380 nan 0.000 0.425 318 S N 1.552 117.264 115.700 0.020 0.000 2.383 318 S HA -0.154 4.316 4.470 -0.000 0.000 0.229 318 S C 2.097 176.692 174.600 -0.008 0.000 1.030 318 S CA 1.280 59.522 58.200 0.070 0.000 1.002 318 S CB -0.855 62.498 63.200 0.254 0.000 0.829 318 S HN 0.583 nan 8.310 nan 0.000 0.467 319 I N -2.484 118.007 120.570 -0.130 0.000 3.793 319 I HA 0.517 4.686 4.170 -0.000 0.000 0.315 319 I C 1.489 177.561 176.117 -0.074 0.000 1.275 319 I CA 0.254 61.478 61.300 -0.126 0.000 1.214 319 I CB -0.648 37.199 38.000 -0.255 0.000 1.018 319 I HN 0.411 nan 8.210 nan 0.000 0.439 320 G N 2.487 111.256 108.800 -0.051 0.000 2.148 320 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.254 320 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.254 320 G C 0.966 175.836 174.900 -0.050 0.000 0.981 320 G CA 0.613 45.694 45.100 -0.032 0.000 0.670 320 G HN 0.511 nan 8.290 nan 0.000 0.528 321 R N 0.659 121.120 120.500 -0.066 0.000 2.119 321 R HA 0.549 4.889 4.340 -0.000 0.000 0.222 321 R C 1.330 177.559 176.300 -0.119 0.000 1.088 321 R CA 2.190 58.245 56.100 -0.075 0.000 0.984 321 R CB -0.225 30.039 30.300 -0.061 0.000 0.884 321 R HN 1.173 nan 8.270 nan 0.000 0.447 322 A N -0.059 122.704 122.820 -0.096 0.000 2.374 322 A HA 0.578 4.897 4.320 -0.000 0.000 0.317 322 A C -1.544 175.924 177.584 -0.193 0.000 1.094 322 A CA -0.886 51.014 52.037 -0.228 0.000 0.765 322 A CB 1.223 20.100 19.000 -0.205 0.000 1.268 322 A HN 0.264 nan 8.150 nan 0.000 0.438 323 D N 0.364 120.535 120.400 -0.381 0.000 2.248 323 D HA 0.539 5.179 4.640 -0.000 0.000 0.246 323 D C -1.513 174.482 176.300 -0.509 0.000 1.027 323 D CA 0.416 54.262 54.000 -0.255 0.000 0.853 323 D CB 1.530 42.232 40.800 -0.164 0.000 1.243 323 D HN 0.414 nan 8.370 nan 0.000 0.462 324 Y N -0.040 120.219 120.300 -0.068 0.000 2.409 324 Y HA 0.448 4.998 4.550 -0.000 0.000 0.343 324 Y C 0.515 176.349 175.900 -0.111 0.000 0.973 324 Y CA -0.882 57.169 58.100 -0.082 0.000 1.064 324 Y CB 1.886 40.304 38.460 -0.070 0.000 1.207 324 Y HN 0.149 nan 8.280 nan 0.000 0.452 325 V N -1.116 118.773 119.914 -0.042 0.000 3.119 325 V HA 0.961 5.080 4.120 -0.000 0.000 0.311 325 V C -0.595 175.489 176.094 -0.016 0.000 1.259 325 V CA -1.042 61.213 62.300 -0.075 0.000 1.067 325 V CB 1.697 33.348 31.823 -0.287 0.000 1.123 325 V HN 0.762 nan 8.190 nan 0.000 0.463 326 S N 0.490 116.206 115.700 0.028 0.000 2.599 326 S HA 0.878 5.348 4.470 -0.000 0.000 0.287 326 S C -1.198 173.461 174.600 0.098 0.000 1.105 326 S CA -0.729 57.513 58.200 0.069 0.000 0.899 326 S CB 1.984 65.230 63.200 0.077 0.000 1.100 326 S HN 0.883 nan 8.310 nan 0.000 0.482 327 I N 2.551 123.210 120.570 0.148 0.000 2.533 327 I HA 0.375 4.545 4.170 -0.000 0.000 0.290 327 I C 0.683 176.883 176.117 0.138 0.000 1.056 327 I CA -0.161 61.225 61.300 0.142 0.000 1.057 327 I CB 2.080 40.167 38.000 0.145 0.000 1.240 327 I HN 1.078 nan 8.210 nan 0.000 0.423 328 T N 0.759 115.354 114.554 0.068 0.000 2.788 328 T HA 0.189 4.539 4.350 -0.000 0.000 0.287 328 T C 0.904 175.608 174.700 0.007 0.000 1.007 328 T CA -0.375 61.766 62.100 0.069 0.000 1.005 328 T CB 1.194 70.105 68.868 0.072 0.000 1.012 328 T HN 0.448 nan 8.240 nan 0.000 0.530 329 D N 0.597 121.025 120.400 0.048 0.000 2.116 329 D HA -0.109 4.530 4.640 -0.000 0.000 0.193 329 D C 1.734 178.023 176.300 -0.019 0.000 0.998 329 D CA 1.444 55.453 54.000 0.015 0.000 0.836 329 D CB -0.356 40.493 40.800 0.082 0.000 0.951 329 D HN 0.621 nan 8.370 nan 0.000 0.449 330 D N 0.405 120.821 120.400 0.026 0.000 2.144 330 D HA -0.106 4.534 4.640 -0.000 0.000 0.199 330 D C 1.956 178.249 176.300 -0.011 0.000 0.984 330 D CA 0.699 54.709 54.000 0.016 0.000 0.834 330 D CB -0.200 40.623 40.800 0.039 0.000 0.955 330 D HN 0.412 nan 8.370 nan 0.000 0.465 331 E N 0.482 120.667 120.200 -0.025 0.000 2.106 331 E HA -0.073 4.277 4.350 -0.000 0.000 0.192 331 E C 2.084 178.638 176.600 -0.078 0.000 0.984 331 E CA 0.880 57.261 56.400 -0.033 0.000 0.806 331 E CB 0.002 29.692 29.700 -0.016 0.000 0.750 331 E HN 0.182 nan 8.360 nan 0.000 0.458 332 A N 1.117 123.821 122.820 -0.194 0.000 1.898 332 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 332 A C 2.168 179.703 177.584 -0.082 0.000 1.181 332 A CA 0.906 52.772 52.037 -0.284 0.000 0.620 332 A CB -0.552 17.986 19.000 -0.769 0.000 0.819 332 A HN 0.126 nan 8.150 nan 0.000 0.442 333 L N -0.620 120.564 121.223 -0.065 0.000 2.083 333 L HA -0.177 4.162 4.340 -0.000 0.000 0.209 333 L C 2.757 179.672 176.870 0.074 0.000 1.083 333 L CA 1.590 56.422 54.840 -0.014 0.000 0.752 333 L CB -0.377 41.659 42.059 -0.039 0.000 0.899 333 L HN 0.493 nan 8.230 nan 0.000 0.433 334 E N 0.593 120.819 120.200 0.044 0.000 2.106 334 E HA -0.218 4.132 4.350 -0.000 0.000 0.192 334 E C 2.126 178.775 176.600 0.082 0.000 0.984 334 E CA 1.379 57.815 56.400 0.060 0.000 0.806 334 E CB 0.124 29.844 29.700 0.032 0.000 0.750 334 E HN 0.435 nan 8.360 nan 0.000 0.458 335 A N 0.598 123.459 122.820 0.069 0.000 1.930 335 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 335 A C 2.080 179.728 177.584 0.107 0.000 1.175 335 A CA 1.214 53.291 52.037 0.067 0.000 0.627 335 A CB -0.925 18.100 19.000 0.042 0.000 0.815 335 A HN 0.417 nan 8.150 nan 0.000 0.443 336 F N 0.983 120.926 119.950 -0.012 0.000 2.069 336 F HA -0.188 4.339 4.527 -0.000 0.000 0.298 336 F C 2.163 177.963 175.800 0.000 0.000 1.113 336 F CA 2.292 60.290 58.000 -0.003 0.000 1.214 336 F CB -0.168 38.828 39.000 -0.006 0.000 0.978 336 F HN 0.121 nan 8.300 nan 0.000 0.474 337 K N -0.634 119.946 120.400 0.301 0.000 2.097 337 K HA -0.119 4.200 4.320 -0.000 0.000 0.205 337 K C 1.977 178.597 176.600 0.035 0.000 1.050 337 K CA 1.822 58.205 56.287 0.160 0.000 0.938 337 K CB -0.594 32.002 32.500 0.160 0.000 0.718 337 K HN 0.272 nan 8.250 nan 0.000 0.442 338 T N 1.946 116.542 114.554 0.069 0.000 2.746 338 T HA -0.117 4.233 4.350 -0.000 0.000 0.267 338 T C 1.753 176.509 174.700 0.093 0.000 1.039 338 T CA 0.897 63.074 62.100 0.127 0.000 1.142 338 T CB -0.147 68.797 68.868 0.126 0.000 0.866 338 T HN 0.060 nan 8.240 nan 0.000 0.444 339 L N 0.659 121.877 121.223 -0.009 0.000 2.093 339 L HA -0.000 4.339 4.340 -0.000 0.000 0.208 339 L C 2.510 179.315 176.870 -0.108 0.000 1.085 339 L CA 1.408 56.217 54.840 -0.051 0.000 0.755 339 L CB -0.763 41.238 42.059 -0.097 0.000 0.904 339 L HN 0.309 nan 8.230 nan 0.000 0.435 340 C N -0.642 118.541 119.300 -0.196 0.000 2.413 340 C HA -0.174 4.286 4.460 -0.000 0.000 0.277 340 C C 2.923 177.820 174.990 -0.156 0.000 1.228 340 C CA 1.244 60.137 59.018 -0.209 0.000 1.731 340 C CB -0.967 26.622 27.740 -0.252 0.000 2.042 340 C HN 0.611 nan 8.230 nan 0.000 0.468 341 R N -0.133 120.259 120.500 -0.180 0.000 2.115 341 R HA -0.049 4.291 4.340 -0.000 0.000 0.226 341 R C 1.998 178.064 176.300 -0.390 0.000 1.100 341 R CA 1.601 57.524 56.100 -0.295 0.000 0.980 341 R CB -0.524 29.538 30.300 -0.396 0.000 0.875 341 R HN 0.649 nan 8.270 nan 0.000 0.445 342 H N -0.905 118.134 119.070 -0.052 0.000 2.654 342 H HA 0.227 4.783 4.556 -0.000 0.000 0.264 342 H C 0.574 175.871 175.328 -0.053 0.000 0.954 342 H CA 0.489 56.509 56.048 -0.048 0.000 1.199 342 H CB 0.931 30.666 29.762 -0.045 0.000 1.446 342 H HN 0.236 nan 8.280 nan 0.000 0.516 343 E N -0.416 119.798 120.200 0.023 0.000 2.641 343 E HA 0.147 4.497 4.350 -0.000 0.000 0.224 343 E C 1.059 177.636 176.600 -0.038 0.000 0.951 343 E CA 0.387 56.782 56.400 -0.008 0.000 1.102 343 E CB 1.234 30.926 29.700 -0.014 0.000 1.091 343 E HN 0.442 nan 8.360 nan 0.000 0.507 344 G N 2.280 111.044 108.800 -0.060 0.000 2.221 344 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.265 344 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.265 344 G C 0.170 175.026 174.900 -0.074 0.000 1.041 344 G CA 0.562 45.621 45.100 -0.068 0.000 0.807 344 G HN 0.243 nan 8.290 nan 0.000 0.502 345 I N 0.189 120.703 120.570 -0.094 0.000 2.466 345 I HA 0.430 4.600 4.170 -0.000 0.000 0.289 345 I C 0.330 176.342 176.117 -0.176 0.000 1.026 345 I CA -1.087 60.152 61.300 -0.101 0.000 1.078 345 I CB 1.842 39.799 38.000 -0.072 0.000 1.249 345 I HN -0.061 nan 8.210 nan 0.000 0.429 346 I N 8.388 128.847 120.570 -0.185 0.000 2.291 346 I HA 0.282 4.452 4.170 -0.000 0.000 0.290 346 I C -2.144 173.837 176.117 -0.226 0.000 1.050 346 I CA -1.677 59.433 61.300 -0.318 0.000 1.245 346 I CB 0.852 38.721 38.000 -0.218 0.000 1.405 346 I HN 0.237 nan 8.210 nan 0.000 0.478 347 P HA 0.262 nan 4.420 nan 0.000 0.281 347 P C -0.519 176.855 177.300 0.122 0.000 1.249 347 P CA -0.407 62.656 63.100 -0.061 0.000 0.810 347 P CB 1.485 33.155 31.700 -0.049 0.000 1.008 348 A N 2.679 125.585 122.820 0.144 0.000 2.425 348 A HA 0.111 4.431 4.320 -0.000 0.000 0.242 348 A C 1.683 179.417 177.584 0.250 0.000 1.077 348 A CA -0.283 51.870 52.037 0.193 0.000 0.781 348 A CB -0.619 18.459 19.000 0.130 0.000 1.020 348 A HN 0.644 nan 8.150 nan 0.000 0.494 349 L N 0.550 121.913 121.223 0.234 0.000 2.191 349 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 349 L C 2.272 179.305 176.870 0.272 0.000 1.103 349 L CA 1.446 56.413 54.840 0.212 0.000 0.769 349 L CB -0.403 41.709 42.059 0.088 0.000 0.908 349 L HN 0.866 nan 8.230 nan 0.000 0.438 350 E N -0.187 120.121 120.200 0.181 0.000 2.017 350 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 350 E C 2.282 178.985 176.600 0.171 0.000 0.997 350 E CA 1.644 58.116 56.400 0.120 0.000 0.804 350 E CB -0.193 29.533 29.700 0.043 0.000 0.757 350 E HN 0.270 nan 8.360 nan 0.000 0.448 351 S N 0.472 116.253 115.700 0.135 0.000 2.399 351 S HA -0.136 4.334 4.470 -0.000 0.000 0.231 351 S C 2.022 176.705 174.600 0.138 0.000 1.022 351 S CA 1.022 59.286 58.200 0.107 0.000 0.983 351 S CB -0.259 62.989 63.200 0.081 0.000 0.803 351 S HN 0.111 nan 8.310 nan 0.000 0.480 352 S N 0.836 116.644 115.700 0.179 0.000 2.442 352 S HA -0.113 4.356 4.470 -0.000 0.000 0.236 352 S C 1.506 176.156 174.600 0.084 0.000 1.007 352 S CA 1.051 59.334 58.200 0.138 0.000 0.965 352 S CB -0.313 62.996 63.200 0.181 0.000 0.773 352 S HN 0.602 nan 8.310 nan 0.000 0.504 353 H N 1.305 120.410 119.070 0.060 0.000 2.357 353 H HA 0.163 4.719 4.556 -0.000 0.000 0.301 353 H C 2.321 177.688 175.328 0.064 0.000 1.082 353 H CA 1.289 57.368 56.048 0.051 0.000 1.342 353 H CB -0.413 29.364 29.762 0.024 0.000 1.389 353 H HN 0.402 nan 8.280 nan 0.000 0.511 354 A N 0.574 123.499 122.820 0.175 0.000 1.873 354 A HA -0.119 4.201 4.320 -0.000 0.000 0.215 354 A C 2.259 179.913 177.584 0.116 0.000 1.186 354 A CA 1.442 53.554 52.037 0.125 0.000 0.616 354 A CB -0.795 18.252 19.000 0.078 0.000 0.823 354 A HN 0.344 nan 8.150 nan 0.000 0.442 355 L N -0.074 121.201 121.223 0.087 0.000 2.042 355 L HA -0.091 4.249 4.340 -0.000 0.000 0.210 355 L C 2.657 179.555 176.870 0.047 0.000 1.076 355 L CA 2.230 57.104 54.840 0.056 0.000 0.749 355 L CB -0.792 41.292 42.059 0.042 0.000 0.893 355 L HN 0.352 nan 8.230 nan 0.000 0.432 356 A N -1.365 121.487 122.820 0.052 0.000 1.908 356 A HA -0.330 3.990 4.320 -0.000 0.000 0.218 356 A C 2.292 179.903 177.584 0.045 0.000 1.181 356 A CA 1.985 54.041 52.037 0.032 0.000 0.627 356 A CB -1.075 17.928 19.000 0.005 0.000 0.818 356 A HN 0.733 nan 8.150 nan 0.000 0.445 357 H N -0.344 118.735 119.070 0.016 0.000 2.389 357 H HA 0.151 4.707 4.556 -0.000 0.000 0.299 357 H C 2.149 177.479 175.328 0.003 0.000 1.081 357 H CA 1.532 57.588 56.048 0.014 0.000 1.345 357 H CB -0.205 29.571 29.762 0.023 0.000 1.393 357 H HN 0.392 nan 8.280 nan 0.000 0.520 358 A N 0.511 123.316 122.820 -0.026 0.000 1.933 358 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 358 A C 2.440 179.959 177.584 -0.107 0.000 1.175 358 A CA 1.400 53.395 52.037 -0.069 0.000 0.628 358 A CB -0.810 18.189 19.000 -0.001 0.000 0.814 358 A HN 0.473 nan 8.150 nan 0.000 0.444 359 L N -0.710 120.467 121.223 -0.077 0.000 2.083 359 L HA -0.191 4.148 4.340 -0.000 0.000 0.209 359 L C 2.624 179.433 176.870 -0.103 0.000 1.083 359 L CA 1.875 56.670 54.840 -0.074 0.000 0.752 359 L CB -0.406 41.627 42.059 -0.044 0.000 0.899 359 L HN 0.482 nan 8.230 nan 0.000 0.433 360 K N 0.426 120.738 120.400 -0.147 0.000 2.057 360 K HA -0.157 4.163 4.320 -0.000 0.000 0.206 360 K C 2.196 178.681 176.600 -0.192 0.000 1.050 360 K CA 1.253 57.442 56.287 -0.162 0.000 0.935 360 K CB -0.017 32.369 32.500 -0.189 0.000 0.715 360 K HN 0.171 nan 8.250 nan 0.000 0.439 361 M N 0.448 119.881 119.600 -0.279 0.000 2.159 361 M HA -0.189 4.291 4.480 -0.000 0.000 0.263 361 M C 2.419 178.649 176.300 -0.116 0.000 1.063 361 M CA 1.692 56.870 55.300 -0.203 0.000 1.110 361 M CB -0.206 32.272 32.600 -0.203 0.000 1.374 361 M HN 0.329 nan 8.290 nan 0.000 0.411 362 M N 0.132 119.669 119.600 -0.105 0.000 2.098 362 M HA -0.181 4.299 4.480 -0.000 0.000 0.262 362 M C 2.123 178.383 176.300 -0.067 0.000 1.072 362 M CA 1.829 57.084 55.300 -0.076 0.000 1.133 362 M CB -0.106 32.450 32.600 -0.073 0.000 1.344 362 M HN 0.067 nan 8.290 nan 0.000 0.414 363 R N 0.110 120.568 120.500 -0.070 0.000 2.092 363 R HA -0.105 4.234 4.340 -0.000 0.000 0.231 363 R C 1.996 178.267 176.300 -0.048 0.000 1.119 363 R CA 1.741 57.807 56.100 -0.056 0.000 0.970 363 R CB -0.325 29.943 30.300 -0.053 0.000 0.864 363 R HN 0.570 nan 8.270 nan 0.000 0.440 364 E N 0.419 120.587 120.200 -0.054 0.000 2.150 364 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 364 E C 0.219 176.798 176.600 -0.036 0.000 0.985 364 E CA 0.847 57.222 56.400 -0.042 0.000 0.814 364 E CB 0.257 29.930 29.700 -0.046 0.000 0.752 364 E HN 0.372 nan 8.360 nan 0.000 0.466 365 Q N -0.085 119.690 119.800 -0.041 0.000 3.300 365 Q HA 0.125 4.465 4.340 -0.000 0.000 0.271 365 Q C -2.164 173.815 176.000 -0.035 0.000 0.926 365 Q CA -1.188 54.595 55.803 -0.033 0.000 0.788 365 Q CB 1.417 30.137 28.738 -0.031 0.000 1.385 365 Q HN 0.066 nan 8.270 nan 0.000 0.424 366 P HA -0.172 nan 4.420 nan 0.000 0.221 366 P C 0.356 177.638 177.300 -0.031 0.000 1.145 366 P CA 1.207 64.285 63.100 -0.036 0.000 0.795 366 P CB 0.543 32.222 31.700 -0.035 0.000 0.775 367 E N -0.275 119.909 120.200 -0.026 0.000 2.463 367 E HA 0.070 4.419 4.350 -0.000 0.000 0.193 367 E C 0.685 177.273 176.600 -0.020 0.000 1.041 367 E CA -0.100 56.287 56.400 -0.022 0.000 0.879 367 E CB 0.067 29.756 29.700 -0.018 0.000 0.997 367 E HN 0.364 nan 8.360 nan 0.000 0.478 368 K N 2.048 122.434 120.400 -0.023 0.000 2.312 368 K HA 0.055 4.375 4.320 -0.000 0.000 0.287 368 K C -0.107 176.480 176.600 -0.021 0.000 1.062 368 K CA -0.140 56.134 56.287 -0.022 0.000 0.934 368 K CB 0.614 33.099 32.500 -0.025 0.000 1.027 368 K HN -0.148 nan 8.250 nan 0.000 0.478 369 E N 4.732 124.922 120.200 -0.017 0.000 2.217 369 E HA -0.025 4.325 4.350 -0.000 0.000 0.279 369 E C -1.140 175.452 176.600 -0.014 0.000 1.068 369 E CA -0.083 56.309 56.400 -0.014 0.000 0.882 369 E CB 0.538 30.232 29.700 -0.010 0.000 1.039 369 E HN 0.607 nan 8.360 nan 0.000 0.418 370 Q N 3.613 123.405 119.800 -0.013 0.000 2.353 370 Q HA 0.366 4.706 4.340 -0.000 0.000 0.275 370 Q C -1.734 174.266 176.000 -0.001 0.000 1.029 370 Q CA -1.052 54.743 55.803 -0.013 0.000 0.848 370 Q CB 1.184 29.909 28.738 -0.023 0.000 1.390 370 Q HN 0.433 nan 8.270 nan 0.000 0.401 371 L N 3.588 124.814 121.223 0.005 0.000 2.276 371 L HA 0.547 4.887 4.340 -0.000 0.000 0.286 371 L C -1.809 175.073 176.870 0.020 0.000 1.024 371 L CA -0.359 54.503 54.840 0.036 0.000 0.826 371 L CB 1.019 43.102 42.059 0.040 0.000 1.211 371 L HN 0.731 nan 8.230 nan 0.000 0.422 372 L N 5.475 126.725 121.223 0.044 0.000 2.342 372 L HA 0.742 5.081 4.340 -0.000 0.000 0.271 372 L C -0.858 176.055 176.870 0.071 0.000 1.008 372 L CA -1.096 53.759 54.840 0.025 0.000 0.818 372 L CB 2.176 44.241 42.059 0.010 0.000 1.296 372 L HN 0.222 nan 8.230 nan 0.000 0.427 373 V N 2.802 122.735 119.914 0.032 0.000 2.531 373 V HA 0.421 4.541 4.120 -0.000 0.000 0.301 373 V C -0.239 175.887 176.094 0.054 0.000 1.034 373 V CA -0.616 61.723 62.300 0.064 0.000 0.865 373 V CB 2.369 34.202 31.823 0.018 0.000 0.995 373 V HN 0.427 nan 8.190 nan 0.000 0.424 374 V N 4.395 124.351 119.914 0.070 0.000 2.435 374 V HA 0.347 4.467 4.120 -0.000 0.000 0.290 374 V C 0.352 176.482 176.094 0.059 0.000 1.030 374 V CA -0.643 61.694 62.300 0.061 0.000 0.881 374 V CB 1.762 33.617 31.823 0.053 0.000 0.983 374 V HN 0.923 nan 8.190 nan 0.000 0.445 375 N N 3.788 122.515 118.700 0.045 0.000 2.401 375 N HA 0.186 4.925 4.740 -0.000 0.000 0.255 375 N C -0.631 174.889 175.510 0.016 0.000 1.110 375 N CA -0.684 52.381 53.050 0.026 0.000 0.949 375 N CB 0.640 39.117 38.487 -0.016 0.000 1.110 375 N HN 0.498 nan 8.380 nan 0.000 0.490 376 L N 4.820 126.061 121.223 0.031 0.000 2.387 376 L HA 0.094 4.433 4.340 -0.000 0.000 0.267 376 L C 1.603 178.495 176.870 0.037 0.000 1.197 376 L CA 0.143 55.003 54.840 0.033 0.000 1.070 376 L CB 0.087 42.166 42.059 0.034 0.000 1.349 376 L HN 0.592 nan 8.230 nan 0.000 0.422 377 S N 1.122 116.833 115.700 0.019 0.000 2.419 377 S HA 0.088 4.558 4.470 -0.000 0.000 0.235 377 S C 0.909 175.597 174.600 0.146 0.000 1.019 377 S CA 0.567 58.791 58.200 0.041 0.000 0.982 377 S CB -0.350 62.806 63.200 -0.073 0.000 0.789 377 S HN 0.678 nan 8.310 nan 0.000 0.490 378 G N 0.576 109.436 108.800 0.100 0.000 2.576 378 G HA2 0.551 4.510 3.960 -0.000 0.000 0.290 378 G HA3 0.551 4.510 3.960 -0.000 0.000 0.290 378 G C -1.369 173.571 174.900 0.066 0.000 1.442 378 G CA -1.263 43.891 45.100 0.091 0.000 0.792 378 G HN 0.494 nan 8.290 nan 0.000 0.491 379 R N -1.034 119.497 120.500 0.051 0.000 2.528 379 R HA 0.648 4.988 4.340 -0.000 0.000 0.271 379 R C 0.675 177.017 176.300 0.070 0.000 1.056 379 R CA -0.090 56.033 56.100 0.038 0.000 1.117 379 R CB 1.492 31.803 30.300 0.019 0.000 1.085 379 R HN 0.695 nan 8.270 nan 0.000 0.530 380 G N 0.406 109.255 108.800 0.081 0.000 3.502 380 G HA2 -0.028 3.931 3.960 -0.000 0.000 0.267 380 G HA3 -0.028 3.931 3.960 -0.000 0.000 0.267 380 G C 0.293 175.295 174.900 0.170 0.000 1.090 380 G CA -0.317 44.896 45.100 0.189 0.000 0.795 380 G HN 0.726 nan 8.290 nan 0.000 0.535 381 D N 1.860 122.308 120.400 0.080 0.000 2.182 381 D HA -0.153 4.487 4.640 -0.000 0.000 0.201 381 D C 2.371 178.695 176.300 0.040 0.000 0.986 381 D CA 1.116 55.140 54.000 0.040 0.000 0.847 381 D CB 0.141 40.952 40.800 0.018 0.000 0.942 381 D HN 0.613 nan 8.370 nan 0.000 0.467 382 K N 0.572 121.021 120.400 0.082 0.000 2.362 382 K HA -0.085 4.235 4.320 -0.000 0.000 0.200 382 K C 0.781 177.456 176.600 0.126 0.000 1.046 382 K CA 1.044 57.400 56.287 0.115 0.000 0.952 382 K CB 0.214 32.775 32.500 0.103 0.000 0.753 382 K HN -0.043 nan 8.250 nan 0.000 0.466 383 D N 0.820 121.279 120.400 0.099 0.000 2.369 383 D HA 0.071 4.710 4.640 -0.000 0.000 0.211 383 D C 1.628 177.907 176.300 -0.034 0.000 1.077 383 D CA -0.018 54.010 54.000 0.047 0.000 0.842 383 D CB 0.301 41.113 40.800 0.019 0.000 0.947 383 D HN 0.118 nan 8.370 nan 0.000 0.509 384 I N 0.764 121.292 120.570 -0.071 0.000 2.151 384 I HA -0.270 3.900 4.170 -0.000 0.000 0.243 384 I C 2.053 178.044 176.117 -0.210 0.000 1.080 384 I CA 1.253 62.442 61.300 -0.185 0.000 1.339 384 I CB -1.055 36.706 38.000 -0.399 0.000 1.039 384 I HN -0.043 nan 8.210 nan 0.000 0.409 385 F N 1.121 121.090 119.950 0.032 0.000 2.146 385 F HA -0.150 4.376 4.527 -0.000 0.000 0.298 385 F C 2.740 178.570 175.800 0.051 0.000 1.096 385 F CA 1.476 59.490 58.000 0.025 0.000 1.275 385 F CB -1.693 37.306 39.000 -0.001 0.000 1.008 385 F HN 0.001 nan 8.300 nan 0.000 0.480 386 T N -0.019 114.645 114.554 0.183 0.000 2.684 386 T HA -0.145 4.204 4.350 -0.000 0.000 0.267 386 T C 2.249 176.957 174.700 0.014 0.000 1.036 386 T CA 1.621 63.773 62.100 0.086 0.000 1.148 386 T CB -0.600 68.287 68.868 0.033 0.000 0.863 386 T HN 0.039 nan 8.240 nan 0.000 0.436 387 V N 1.278 121.139 119.914 -0.087 0.000 2.358 387 V HA -0.180 3.940 4.120 -0.000 0.000 0.246 387 V C 2.383 178.463 176.094 -0.024 0.000 1.047 387 V CA 1.655 63.859 62.300 -0.161 0.000 1.035 387 V CB -0.753 30.828 31.823 -0.404 0.000 0.658 387 V HN 0.619 nan 8.190 nan 0.000 0.452 388 H N 0.816 119.861 119.070 -0.041 0.000 2.293 388 H HA -0.185 4.371 4.556 -0.000 0.000 0.300 388 H C 2.076 177.419 175.328 0.025 0.000 1.082 388 H CA 2.227 58.276 56.048 0.003 0.000 1.308 388 H CB -0.188 29.586 29.762 0.020 0.000 1.375 388 H HN 0.396 nan 8.280 nan 0.000 0.495 389 D N 0.646 121.184 120.400 0.230 0.000 2.123 389 D HA -0.129 4.511 4.640 -0.000 0.000 0.196 389 D C 2.578 178.896 176.300 0.029 0.000 0.992 389 D CA 1.107 55.198 54.000 0.152 0.000 0.833 389 D CB -0.278 40.621 40.800 0.165 0.000 0.954 389 D HN 0.476 nan 8.370 nan 0.000 0.455 390 I N 0.530 121.110 120.570 0.017 0.000 2.163 390 I HA -0.229 3.941 4.170 -0.000 0.000 0.240 390 I C 2.490 178.587 176.117 -0.033 0.000 1.081 390 I CA 0.692 61.992 61.300 0.000 0.000 1.353 390 I CB -0.224 37.776 38.000 -0.000 0.000 1.054 390 I HN -0.033 nan 8.210 nan 0.000 0.407 391 L N 0.644 121.827 121.223 -0.067 0.000 2.042 391 L HA -0.260 4.080 4.340 -0.000 0.000 0.210 391 L C 2.677 179.484 176.870 -0.104 0.000 1.076 391 L CA 1.570 56.361 54.840 -0.082 0.000 0.749 391 L CB -0.655 41.344 42.059 -0.099 0.000 0.893 391 L HN 0.264 nan 8.230 nan 0.000 0.432 392 K N 0.526 120.825 120.400 -0.169 0.000 2.026 392 K HA -0.178 4.142 4.320 -0.000 0.000 0.208 392 K C 2.115 178.678 176.600 -0.063 0.000 1.048 392 K CA 1.326 57.525 56.287 -0.147 0.000 0.929 392 K CB -0.122 32.257 32.500 -0.201 0.000 0.713 392 K HN 0.254 nan 8.250 nan 0.000 0.439 393 A N 1.303 124.100 122.820 -0.038 0.000 2.084 393 A HA -0.152 4.167 4.320 -0.000 0.000 0.221 393 A C 1.678 179.254 177.584 -0.014 0.000 1.161 393 A CA 1.375 53.404 52.037 -0.013 0.000 0.653 393 A CB -0.318 18.684 19.000 0.003 0.000 0.802 393 A HN 0.373 nan 8.150 nan 0.000 0.457 394 R N -1.339 119.148 120.500 -0.022 0.000 2.432 394 R HA 0.357 4.697 4.340 -0.000 0.000 0.260 394 R C 0.991 177.279 176.300 -0.020 0.000 0.935 394 R CA 0.312 56.402 56.100 -0.016 0.000 1.080 394 R CB 0.112 30.405 30.300 -0.012 0.000 1.155 394 R HN 0.583 nan 8.270 nan 0.000 0.531 395 G N 0.735 109.518 108.800 -0.027 0.000 2.804 395 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.230 395 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.230 395 G C -0.384 174.500 174.900 -0.027 0.000 1.386 395 G CA -0.174 44.910 45.100 -0.025 0.000 0.875 395 G HN 0.503 nan 8.290 nan 0.000 0.557 396 E N 0.000 120.187 120.200 -0.021 0.000 2.725 396 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 396 E CA 0.000 nan 56.400 nan 0.000 0.976 396 E CB 0.000 nan 29.700 nan 0.000 0.812 396 E HN 0.000 nan 8.360 nan 0.000 0.440