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 3ixw_1_A DATA FIRST_RESID 1 DATA SEQUENCE TVADKQARLM PLFKHLTALT REKLPLDQRD ERLKGVGILP RGTLFSCFHA DATA SEQUENCE RHLAEATELY VALYGAKDFN DFIHLCEQAR QIVNEGMFVY AVSVAVLHRE DATA SEQUENCE DCKGITVPPI QEVFPDRFVP AETINRANKE ASNHPDQQSI VVEAEETGNI DATA SEQUENCE LDPEYKLSYF REDIGINAHH WHWHIVYPAT WNPTVMGKEK DRKGELFFYM DATA SEQUENCE HQQMCARYDS ERLSNGLQRM IPFHNFDEPL EGYAPHLTSL VSGLQYASRP DATA SEQUENCE EGYSIHDLSD VDVQDMVRWR ERILDAINMH YIVDKDNNKI PLDIEHGTDI DATA SEQUENCE LGDIIESSDE SKNVEYYGSL HNWGHVMMAN ITDPDHRFQE NPGVMSDTST DATA SEQUENCE SLRDPIFYRW HRFIDNIFQE HKKSFHPYTK EELSFPGVEV VGVSINSKTA DATA SEQUENCE NVITTLIKES LLELSHGINF GTDQSVKVKY HHLDHEPFTY NIVVENNSGA DATA SEQUENCE EKHSTVRIFL APKYDELNNK LEPDEQRRLF IELDKFFYTL TPGKNTIVRN DATA SEQUENCE HQDSSVTISK VRTFDQLGAG EGVSEDSTEY CSCGWPEHML IPRGSHKGME DATA SEQUENCE FELFVMLTDH DEDTVAGLSE NAVCSDAVSY CGARDDRYPD KKAMGFPFDR DATA SEQUENCE KIEARTAAEF LTPNMGLTDI KIKFHG 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 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.549 174.700 -0.252 0.000 1.109 1 T CA 0.000 62.027 62.100 -0.122 0.000 1.349 1 T CB 0.000 68.822 68.868 -0.077 0.000 0.612 2 V N 1.897 121.620 119.914 -0.318 0.000 2.759 2 V HA -0.138 nan 4.120 nan 0.000 0.256 2 V C 1.215 177.133 176.094 -0.294 0.000 1.080 2 V CA 2.460 64.506 62.300 -0.424 0.000 1.101 2 V CB -0.527 31.057 31.823 -0.398 0.000 0.698 2 V HN 0.563 8.604 8.190 -0.249 0.000 0.477 3 A N 0.199 122.909 122.820 -0.184 0.000 1.835 3 A HA -0.315 nan 4.320 nan 0.000 0.215 3 A C 0.531 178.065 177.584 -0.084 0.000 1.199 3 A CA 3.551 55.516 52.037 -0.120 0.000 0.615 3 A CB -0.863 18.092 19.000 -0.075 0.000 0.838 3 A HN -0.062 7.981 8.150 -0.164 0.008 0.444 4 D N -1.874 118.500 120.400 -0.043 0.000 2.263 4 D HA -0.271 nan 4.640 nan 0.000 0.208 4 D C 2.147 178.504 176.300 0.095 0.000 0.971 4 D CA 2.836 56.858 54.000 0.036 0.000 0.867 4 D CB -0.652 40.190 40.800 0.070 0.000 0.929 4 D HN 0.051 8.391 8.370 -0.050 0.000 0.492 5 K N 0.458 120.841 120.400 -0.029 0.000 2.001 5 K HA -0.481 nan 4.320 nan 0.000 0.214 5 K C 2.370 179.013 176.600 0.071 0.000 1.050 5 K CA 3.106 59.356 56.287 -0.060 0.000 0.934 5 K CB -0.184 31.731 32.500 -0.976 0.000 0.718 5 K HN -0.067 8.073 8.250 -0.153 0.019 0.443 6 Q N -2.239 117.511 119.800 -0.084 0.000 2.077 6 Q HA -0.333 nan 4.340 nan 0.000 0.206 6 Q C 2.493 178.505 176.000 0.021 0.000 0.989 6 Q CA 2.878 58.648 55.803 -0.054 0.000 0.853 6 Q CB -0.028 28.638 28.738 -0.120 0.000 0.907 6 Q HN -0.579 7.576 8.270 -0.192 0.000 0.418 7 A N -3.649 119.196 122.820 0.042 0.000 2.248 7 A HA -0.159 nan 4.320 nan 0.000 0.210 7 A C 0.789 178.451 177.584 0.131 0.000 1.174 7 A CA 1.603 53.686 52.037 0.077 0.000 0.750 7 A CB -0.682 18.355 19.000 0.063 0.000 0.780 7 A HN -0.055 8.048 8.150 0.013 0.055 0.478 8 R N -3.375 117.235 120.500 0.184 0.000 2.121 8 R HA 0.081 nan 4.340 nan 0.000 0.206 8 R C 1.901 178.338 176.300 0.228 0.000 1.094 8 R CA 2.095 58.322 56.100 0.211 0.000 1.055 8 R CB 0.648 31.099 30.300 0.251 0.000 0.964 8 R HN -0.598 7.637 8.270 0.206 0.158 0.473 9 L N 0.258 121.633 121.223 0.253 0.000 1.976 9 L HA -0.351 nan 4.340 nan 0.000 0.209 9 L C 2.319 179.385 176.870 0.327 0.000 1.071 9 L CA 3.796 58.809 54.840 0.288 0.000 0.746 9 L CB -0.086 42.102 42.059 0.214 0.000 0.890 9 L HN -0.624 7.766 8.230 0.265 0.000 0.432 10 M N -2.723 116.949 119.600 0.121 0.000 2.117 10 M HA -0.283 nan 4.480 nan 0.000 0.262 10 M C -1.105 175.426 176.300 0.385 0.000 1.065 10 M CA 5.604 60.968 55.300 0.108 0.000 1.114 10 M CB -2.421 30.003 32.600 -0.294 0.000 1.361 10 M HN -0.559 7.766 8.290 0.058 0.000 0.408 11 P HA -0.281 nan 4.420 nan 0.000 0.217 11 P C 0.317 177.767 177.300 0.251 0.000 1.151 11 P CA 2.912 66.166 63.100 0.256 0.000 0.849 11 P CB -0.588 31.224 31.700 0.187 0.000 0.787 12 L N -5.507 115.884 121.223 0.281 0.000 2.093 12 L HA -0.220 nan 4.340 nan 0.000 0.208 12 L C 1.527 178.509 176.870 0.186 0.000 1.085 12 L CA 1.920 56.885 54.840 0.209 0.000 0.755 12 L CB -0.017 42.161 42.059 0.197 0.000 0.904 12 L HN -0.749 7.580 8.230 0.308 0.086 0.435 13 F N -4.329 115.728 119.950 0.179 0.000 2.802 13 F HA -0.144 nan 4.527 nan 0.000 0.300 13 F C 0.483 176.363 175.800 0.132 0.000 1.168 13 F CA 1.202 59.320 58.000 0.197 0.000 1.433 13 F CB -0.268 38.915 39.000 0.306 0.000 1.115 13 F HN -0.580 8.120 8.300 0.796 0.077 0.582 14 K N 0.563 121.107 120.400 0.239 0.000 2.110 14 K HA -0.140 nan 4.320 nan 0.000 0.260 14 K C -1.323 175.076 176.600 -0.335 0.000 1.126 14 K CA 0.627 56.822 56.287 -0.154 0.000 1.005 14 K CB -1.284 31.179 32.500 -0.062 0.000 1.336 14 K HN -0.347 7.942 8.250 0.341 0.166 0.369 15 H N -1.827 117.213 119.070 -0.049 0.000 3.138 15 H HA -0.360 nan 4.556 nan 0.000 0.337 15 H C -0.630 174.637 175.328 -0.102 0.000 1.347 15 H CA -0.118 55.868 56.048 -0.102 0.000 1.254 15 H CB -3.367 26.314 29.762 -0.134 0.000 1.456 15 H HN 0.243 8.280 8.280 -0.365 0.024 0.453 16 L N -0.355 120.814 121.223 -0.090 0.000 1.933 16 L HA -0.335 nan 4.340 nan 0.000 0.220 16 L C 1.150 177.956 176.870 -0.105 0.000 1.078 16 L CA 3.076 57.817 54.840 -0.165 0.000 0.773 16 L CB -0.314 41.566 42.059 -0.298 0.000 0.890 16 L HN -0.136 8.020 8.230 -0.123 0.000 0.434 17 T N 0.650 115.168 114.554 -0.062 0.000 2.668 17 T HA -0.547 nan 4.350 nan 0.000 0.265 17 T C 1.851 176.551 174.700 0.000 0.000 1.041 17 T CA 4.391 66.509 62.100 0.031 0.000 1.160 17 T CB -1.065 67.859 68.868 0.094 0.000 0.857 17 T HN 0.292 8.463 8.240 -0.116 0.000 0.455 18 A N 0.674 123.484 122.820 -0.017 0.000 2.186 18 A HA -0.182 nan 4.320 nan 0.000 0.219 18 A C 2.300 179.857 177.584 -0.044 0.000 1.159 18 A CA 2.305 54.325 52.037 -0.029 0.000 0.680 18 A CB -1.169 17.809 19.000 -0.036 0.000 0.787 18 A HN 0.047 8.170 8.150 -0.017 0.017 0.467 19 L N -3.261 117.928 121.223 -0.056 0.000 2.265 19 L HA -0.351 nan 4.340 nan 0.000 0.215 19 L C 1.067 177.879 176.870 -0.096 0.000 1.117 19 L CA 1.997 56.790 54.840 -0.078 0.000 0.782 19 L CB -0.382 41.618 42.059 -0.098 0.000 0.914 19 L HN -0.229 7.922 8.230 -0.055 0.046 0.441 20 T N -3.705 110.803 114.554 -0.076 0.000 2.833 20 T HA -0.206 nan 4.350 nan 0.000 0.269 20 T C 0.435 175.083 174.700 -0.086 0.000 1.054 20 T CA 2.507 64.557 62.100 -0.083 0.000 1.135 20 T CB -0.057 68.786 68.868 -0.041 0.000 0.869 20 T HN -0.273 7.775 8.240 -0.053 0.160 0.466 21 R N 0.390 120.849 120.500 -0.068 0.000 2.247 21 R HA 0.235 nan 4.340 nan 0.000 0.329 21 R C -0.997 175.261 176.300 -0.069 0.000 1.014 21 R CA -0.674 55.387 56.100 -0.064 0.000 0.907 21 R CB 0.289 30.561 30.300 -0.047 0.000 1.146 21 R HN -0.711 7.523 8.270 -0.060 0.000 0.499 22 E N 4.060 124.210 120.200 -0.082 0.000 2.446 22 E HA 0.147 nan 4.350 nan 0.000 0.251 22 E C -0.616 175.949 176.600 -0.059 0.000 1.087 22 E CA -1.969 54.386 56.400 -0.075 0.000 0.937 22 E CB 2.338 31.982 29.700 -0.093 0.000 1.254 22 E HN 0.299 8.511 8.360 -0.096 0.090 0.479 23 K N 1.437 121.806 120.400 -0.052 0.000 2.978 23 K HA -0.099 nan 4.320 nan 0.000 0.261 23 K C -0.530 176.036 176.600 -0.057 0.000 1.181 23 K CA -0.168 56.092 56.287 -0.046 0.000 1.164 23 K CB -0.993 31.486 32.500 -0.035 0.000 1.331 23 K HN 0.241 8.462 8.250 -0.049 0.000 0.266 24 L N 1.797 122.974 121.223 -0.077 0.000 2.565 24 L HA 0.085 nan 4.340 nan 0.000 0.275 24 L C -0.577 176.261 176.870 -0.055 0.000 1.137 24 L CA -1.608 53.188 54.840 -0.073 0.000 0.915 24 L CB -1.457 40.546 42.059 -0.093 0.000 1.232 24 L HN -0.039 8.104 8.230 -0.091 0.032 0.473 25 P HA -0.127 nan 4.420 nan 0.000 0.214 25 P C -1.636 175.641 177.300 -0.038 0.000 1.163 25 P CA 1.421 64.501 63.100 -0.033 0.000 0.883 25 P CB 0.457 32.142 31.700 -0.026 0.000 0.788 26 L N -4.704 116.494 121.223 -0.041 0.000 2.751 26 L HA 0.143 nan 4.340 nan 0.000 0.261 26 L C -0.117 176.728 176.870 -0.042 0.000 0.927 26 L CA -1.146 53.672 54.840 -0.038 0.000 0.968 26 L CB 3.307 45.350 42.059 -0.026 0.000 1.432 26 L HN -0.765 7.462 8.230 -0.041 -0.021 0.439 27 D N 3.564 123.934 120.400 -0.050 0.000 2.203 27 D HA -0.440 nan 4.640 nan 0.000 0.199 27 D C 0.806 177.086 176.300 -0.033 0.000 0.997 27 D CA 3.258 57.226 54.000 -0.054 0.000 0.863 27 D CB -0.260 40.510 40.800 -0.051 0.000 0.928 27 D HN 0.645 8.985 8.370 -0.049 0.000 0.458 28 Q N -0.606 119.180 119.800 -0.023 0.000 2.197 28 Q HA -0.349 nan 4.340 nan 0.000 0.211 28 Q C 2.287 178.285 176.000 -0.004 0.000 0.993 28 Q CA 2.651 58.447 55.803 -0.012 0.000 0.883 28 Q CB -1.282 27.450 28.738 -0.010 0.000 0.916 28 Q HN 0.278 8.502 8.270 -0.025 0.031 0.418 29 R N -1.660 118.839 120.500 -0.001 0.000 2.154 29 R HA -0.292 nan 4.340 nan 0.000 0.248 29 R C 1.253 177.568 176.300 0.025 0.000 1.155 29 R CA 2.032 58.141 56.100 0.016 0.000 0.979 29 R CB -0.314 30.003 30.300 0.028 0.000 0.869 29 R HN -0.706 7.531 8.270 -0.008 0.028 0.452 30 D N -0.712 119.693 120.400 0.009 0.000 2.736 30 D HA 0.356 nan 4.640 nan 0.000 0.293 30 D C -0.432 175.872 176.300 0.006 0.000 1.241 30 D CA -0.784 53.221 54.000 0.009 0.000 0.965 30 D CB 0.600 41.394 40.800 -0.012 0.000 0.992 30 D HN -0.188 8.044 8.370 -0.006 0.135 0.510 31 E N 1.448 121.653 120.200 0.009 0.000 2.236 31 E HA -0.552 nan 4.350 nan 0.000 0.205 31 E C 1.695 178.301 176.600 0.011 0.000 1.028 31 E CA 3.637 60.042 56.400 0.008 0.000 0.827 31 E CB -0.560 29.146 29.700 0.010 0.000 0.735 31 E HN -0.401 7.966 8.360 0.011 0.000 0.470 32 R N -3.655 116.854 120.500 0.015 0.000 2.316 32 R HA -0.267 nan 4.340 nan 0.000 0.257 32 R C 1.319 177.630 176.300 0.018 0.000 1.198 32 R CA 1.868 57.979 56.100 0.019 0.000 1.026 32 R CB -0.469 29.845 30.300 0.023 0.000 0.872 32 R HN 0.166 8.430 8.270 0.017 0.016 0.482 33 L N -3.873 117.358 121.223 0.013 0.000 2.965 33 L HA 0.339 nan 4.340 nan 0.000 0.254 33 L C 0.000 176.873 176.870 0.005 0.000 1.220 33 L CA -1.118 53.729 54.840 0.011 0.000 1.023 33 L CB -0.383 41.684 42.059 0.013 0.000 1.355 33 L HN -0.327 7.869 8.230 0.008 0.040 0.545 34 K N 0.163 120.566 120.400 0.006 0.000 2.859 34 K HA -0.467 nan 4.320 nan 0.000 0.200 34 K C 1.057 177.659 176.600 0.004 0.000 0.923 34 K CA 2.660 58.950 56.287 0.005 0.000 0.831 34 K CB -1.293 31.212 32.500 0.008 0.000 1.414 34 K HN 0.099 8.353 8.250 0.008 0.000 0.535 35 G N -3.575 105.228 108.800 0.005 0.000 3.274 35 G HA2 0.124 nan 3.960 nan 0.000 0.250 35 G HA3 0.124 nan 3.960 nan 0.000 0.250 35 G C -1.824 173.081 174.900 0.008 0.000 1.024 35 G CA -0.477 44.627 45.100 0.008 0.000 0.840 35 G HN -0.254 8.120 8.290 0.004 -0.082 0.522 36 V N 0.117 120.031 119.914 0.000 0.000 2.409 36 V HA 0.386 nan 4.120 nan 0.000 0.291 36 V C -1.272 174.814 176.094 -0.014 0.000 1.020 36 V CA -0.638 61.659 62.300 -0.005 0.000 0.848 36 V CB 0.423 32.237 31.823 -0.016 0.000 0.990 36 V HN -0.710 7.479 8.190 -0.002 0.000 0.430 37 G N 7.305 116.099 108.800 -0.011 0.000 4.887 37 G HA2 0.089 nan 3.960 nan 0.000 0.220 37 G HA3 0.089 nan 3.960 nan 0.000 0.220 37 G C -0.534 174.360 174.900 -0.010 0.000 0.775 37 G CA 1.017 46.105 45.100 -0.020 0.000 1.041 37 G HN 0.476 8.767 8.290 0.002 0.000 0.627 38 I N -3.403 117.173 120.570 0.009 0.000 3.941 38 I HA 0.175 nan 4.170 nan 0.000 0.335 38 I C -1.171 174.972 176.117 0.044 0.000 1.402 38 I CA -0.008 61.312 61.300 0.033 0.000 1.112 38 I CB 0.400 38.434 38.000 0.057 0.000 1.043 38 I HN -0.642 7.576 8.210 0.014 0.000 0.395 39 L N 3.825 125.039 121.223 -0.016 0.000 2.371 39 L HA 0.517 nan 4.340 nan 0.000 0.262 39 L C -2.763 174.068 176.870 -0.065 0.000 1.054 39 L CA -3.813 50.989 54.840 -0.064 0.000 0.924 39 L CB 1.825 43.748 42.059 -0.227 0.000 1.295 39 L HN -0.400 7.806 8.230 -0.039 0.000 0.441 40 P HA 0.322 nan 4.420 nan 0.000 0.279 40 P C -0.814 176.466 177.300 -0.034 0.000 1.318 40 P CA -0.675 62.405 63.100 -0.033 0.000 0.819 40 P CB -0.466 31.222 31.700 -0.019 0.000 0.927 41 R N 5.730 126.203 120.500 -0.044 0.000 3.559 41 R HA -0.426 nan 4.340 nan 0.000 0.569 41 R C 0.087 176.373 176.300 -0.024 0.000 0.241 41 R CA 1.624 57.702 56.100 -0.036 0.000 1.762 41 R CB -2.245 28.037 30.300 -0.030 0.000 0.881 41 R HN -0.190 8.047 8.270 -0.054 0.000 0.615 42 G N 0.472 109.266 108.800 -0.010 0.000 3.263 42 G HA2 -0.019 nan 3.960 nan 0.000 0.246 42 G HA3 -0.019 nan 3.960 nan 0.000 0.246 42 G C -0.919 173.983 174.900 0.003 0.000 0.982 42 G CA -0.527 44.573 45.100 0.000 0.000 1.897 42 G HN 0.348 8.633 8.290 -0.009 0.000 0.624 43 T N -0.602 113.954 114.554 0.004 0.000 2.794 43 T HA 0.182 nan 4.350 nan 0.000 0.304 43 T C 1.225 175.948 174.700 0.039 0.000 0.973 43 T CA -1.610 60.502 62.100 0.021 0.000 0.972 43 T CB 0.486 69.366 68.868 0.020 0.000 0.952 43 T HN -0.507 7.637 8.240 -0.007 0.092 0.509 44 L N 6.243 127.496 121.223 0.050 0.000 2.949 44 L HA -0.106 nan 4.340 nan 0.000 0.263 44 L C -0.237 176.689 176.870 0.094 0.000 1.190 44 L CA -0.141 54.726 54.840 0.045 0.000 1.022 44 L CB -1.491 40.569 42.059 0.001 0.000 1.313 44 L HN 0.434 8.698 8.230 0.056 0.000 0.413 45 F N -1.451 118.453 119.950 -0.078 0.000 2.121 45 F HA -0.403 nan 4.527 nan 0.000 0.470 45 F C -1.582 174.198 175.800 -0.033 0.000 1.232 45 F CA 0.024 57.956 58.000 -0.113 0.000 1.518 45 F CB -0.097 38.805 39.000 -0.163 0.000 2.410 45 F HN -0.655 7.740 8.300 0.159 0.000 0.729 46 S N 5.219 120.824 115.700 -0.158 0.000 2.422 46 S HA 0.220 nan 4.470 nan 0.000 0.298 46 S C 1.555 175.703 174.600 -0.753 0.000 1.118 46 S CA -1.254 56.751 58.200 -0.324 0.000 1.083 46 S CB 1.176 64.340 63.200 -0.059 0.000 0.971 46 S HN 0.292 8.717 8.310 0.193 0.000 0.478 47 C N 9.315 127.895 119.300 -1.200 0.000 2.419 47 C HA -0.178 nan 4.460 nan 0.000 0.283 47 C C 0.639 174.979 174.990 -1.084 0.000 1.373 47 C CA 2.209 60.353 59.018 -1.456 0.000 1.781 47 C CB -1.172 25.718 27.740 -1.418 0.000 1.886 47 C HN 1.057 8.719 8.230 -0.947 0.000 0.520 48 F N -5.236 114.522 119.950 -0.320 0.000 2.695 48 F HA 0.148 nan 4.527 nan 0.000 0.303 48 F C -0.536 175.069 175.800 -0.325 0.000 1.091 48 F CA -0.765 57.025 58.000 -0.350 0.000 1.300 48 F CB -0.078 38.722 39.000 -0.333 0.000 1.071 48 F HN -0.653 7.328 8.300 -0.485 0.028 0.578 49 H N 2.068 121.091 119.070 -0.079 0.000 3.026 49 H HA -0.080 nan 4.556 nan 0.000 0.289 49 H C 0.883 176.193 175.328 -0.030 0.000 1.022 49 H CA 0.349 56.395 56.048 -0.002 0.000 1.477 49 H CB 1.234 30.984 29.762 -0.021 0.000 1.510 49 H HN -0.728 7.444 8.280 0.013 0.116 0.535 50 A N 8.050 130.641 122.820 -0.383 0.000 1.927 50 A HA -0.436 nan 4.320 nan 0.000 0.220 50 A C 1.669 179.231 177.584 -0.037 0.000 1.185 50 A CA 3.418 55.396 52.037 -0.098 0.000 0.639 50 A CB -0.257 18.848 19.000 0.176 0.000 0.820 50 A HN 0.545 8.573 8.150 -0.405 -0.120 0.451 51 R N -3.265 117.196 120.500 -0.066 0.000 2.120 51 R HA -0.351 nan 4.340 nan 0.000 0.234 51 R C 2.221 178.569 176.300 0.081 0.000 1.123 51 R CA 2.965 59.074 56.100 0.015 0.000 0.975 51 R CB -0.838 29.476 30.300 0.023 0.000 0.866 51 R HN 0.076 8.189 8.270 -0.218 0.026 0.446 52 H N -0.397 118.790 119.070 0.195 0.000 2.470 52 H HA -0.049 nan 4.556 nan 0.000 0.289 52 H C 2.795 178.199 175.328 0.126 0.000 1.033 52 H CA 1.836 57.999 56.048 0.191 0.000 1.331 52 H CB -0.415 29.584 29.762 0.394 0.000 1.414 52 H HN 0.212 8.487 8.280 0.046 0.033 0.545 53 L N -0.611 120.733 121.223 0.203 0.000 2.072 53 L HA -0.316 nan 4.340 nan 0.000 0.205 53 L C 1.581 178.515 176.870 0.106 0.000 1.079 53 L CA 2.576 57.494 54.840 0.129 0.000 0.752 53 L CB -0.608 41.491 42.059 0.068 0.000 0.906 53 L HN -0.650 7.680 8.230 0.167 0.000 0.436 54 A N -0.697 122.178 122.820 0.091 0.000 1.865 54 A HA -0.432 nan 4.320 nan 0.000 0.217 54 A C 2.112 179.726 177.584 0.049 0.000 1.191 54 A CA 3.272 55.353 52.037 0.074 0.000 0.623 54 A CB -1.107 17.935 19.000 0.070 0.000 0.826 54 A HN -0.446 7.757 8.150 0.087 0.000 0.444 55 E N -1.643 118.593 120.200 0.061 0.000 2.070 55 E HA -0.435 nan 4.350 nan 0.000 0.197 55 E C 2.489 179.047 176.600 -0.069 0.000 1.004 55 E CA 2.981 59.398 56.400 0.028 0.000 0.805 55 E CB -0.122 29.630 29.700 0.088 0.000 0.744 55 E HN 0.305 8.615 8.360 0.099 0.109 0.451 56 A N -2.054 120.691 122.820 -0.124 0.000 2.019 56 A HA -0.184 nan 4.320 nan 0.000 0.219 56 A C 2.120 179.362 177.584 -0.570 0.000 1.164 56 A CA 2.906 54.704 52.037 -0.398 0.000 0.644 56 A CB -0.689 18.058 19.000 -0.421 0.000 0.805 56 A HN -0.059 7.951 8.150 -0.035 0.119 0.449 57 T N 0.441 114.911 114.554 -0.141 0.000 3.023 57 T HA -0.171 nan 4.350 nan 0.000 0.266 57 T C 1.730 176.452 174.700 0.037 0.000 1.093 57 T CA 3.697 65.855 62.100 0.096 0.000 1.129 57 T CB -0.704 68.292 68.868 0.213 0.000 0.899 57 T HN -0.048 8.013 8.240 -0.036 0.157 0.491 58 E N 2.718 122.908 120.200 -0.017 0.000 2.049 58 E HA -0.340 nan 4.350 nan 0.000 0.198 58 E C 1.615 178.199 176.600 -0.026 0.000 1.007 58 E CA 3.317 59.711 56.400 -0.011 0.000 0.809 58 E CB -0.577 29.114 29.700 -0.014 0.000 0.749 58 E HN -0.436 7.912 8.360 -0.022 0.000 0.450 59 L N -1.339 119.814 121.223 -0.117 0.000 2.093 59 L HA -0.337 nan 4.340 nan 0.000 0.208 59 L C 2.421 179.270 176.870 -0.035 0.000 1.085 59 L CA 3.773 58.541 54.840 -0.119 0.000 0.755 59 L CB -0.237 41.691 42.059 -0.217 0.000 0.904 59 L HN -0.667 7.396 8.230 -0.166 0.067 0.435 60 Y N -2.445 117.930 120.300 0.125 0.000 2.163 60 Y HA -0.388 nan 4.550 nan 0.000 0.288 60 Y C 2.459 178.469 175.900 0.182 0.000 1.136 60 Y CA 3.083 61.302 58.100 0.199 0.000 1.147 60 Y CB -1.376 37.159 38.460 0.126 0.000 0.987 60 Y HN 0.148 8.051 8.280 -0.310 0.191 0.509 61 V N -4.370 115.667 119.914 0.206 0.000 2.427 61 V HA -0.389 nan 4.120 nan 0.000 0.248 61 V C 1.741 177.912 176.094 0.128 0.000 1.051 61 V CA 2.561 64.934 62.300 0.122 0.000 1.048 61 V CB -1.309 30.547 31.823 0.054 0.000 0.666 61 V HN -0.143 8.145 8.190 0.164 0.000 0.456 62 A N 0.940 123.822 122.820 0.104 0.000 1.841 62 A HA -0.297 nan 4.320 nan 0.000 0.216 62 A C 2.168 179.814 177.584 0.104 0.000 1.199 62 A CA 3.018 55.104 52.037 0.082 0.000 0.621 62 A CB -0.580 18.451 19.000 0.052 0.000 0.835 62 A HN -0.032 8.169 8.150 0.085 0.000 0.445 63 L N -2.557 118.732 121.223 0.110 0.000 2.141 63 L HA -0.327 nan 4.340 nan 0.000 0.209 63 L C 2.161 179.062 176.870 0.053 0.000 1.094 63 L CA 2.845 57.716 54.840 0.052 0.000 0.763 63 L CB -0.442 41.604 42.059 -0.021 0.000 0.908 63 L HN -0.418 7.890 8.230 0.129 0.000 0.437 64 Y N -2.420 117.929 120.300 0.081 0.000 2.274 64 Y HA -0.318 nan 4.550 nan 0.000 0.290 64 Y C 1.767 177.688 175.900 0.034 0.000 1.145 64 Y CA 2.451 60.583 58.100 0.054 0.000 1.203 64 Y CB -0.154 38.309 38.460 0.006 0.000 0.984 64 Y HN -0.811 7.662 8.280 0.357 0.022 0.533 65 G N -1.043 107.863 108.800 0.177 0.000 2.924 65 G HA2 -0.170 nan 3.960 nan 0.000 0.273 65 G HA3 -0.170 nan 3.960 nan 0.000 0.273 65 G C -1.211 173.736 174.900 0.079 0.000 0.734 65 G CA -0.025 45.139 45.100 0.105 0.000 2.065 65 G HN -0.567 7.725 8.290 0.182 0.108 0.580 66 A N 3.352 126.218 122.820 0.076 0.000 2.274 66 A HA 0.364 nan 4.320 nan 0.000 0.297 66 A C -1.003 176.610 177.584 0.049 0.000 1.191 66 A CA -0.922 51.151 52.037 0.060 0.000 0.889 66 A CB 2.041 21.077 19.000 0.059 0.000 1.294 66 A HN -0.024 8.132 8.150 0.088 0.047 0.506 67 K N -1.232 119.193 120.400 0.043 0.000 2.253 67 K HA 0.087 nan 4.320 nan 0.000 0.225 67 K C -0.444 176.184 176.600 0.048 0.000 1.037 67 K CA 0.702 57.014 56.287 0.042 0.000 0.928 67 K CB 0.848 33.371 32.500 0.038 0.000 1.057 67 K HN 0.477 8.938 8.250 0.040 -0.188 0.462 68 D N -3.522 116.904 120.400 0.044 0.000 2.798 68 D HA -0.008 nan 4.640 nan 0.000 0.308 68 D C -0.060 176.262 176.300 0.037 0.000 1.187 68 D CA -1.087 52.961 54.000 0.080 0.000 1.033 68 D CB 0.994 41.857 40.800 0.106 0.000 1.445 68 D HN -0.509 7.877 8.370 0.028 0.000 0.550 69 F N -0.480 119.514 119.950 0.073 0.000 2.202 69 F HA -0.294 nan 4.527 nan 0.000 0.301 69 F C 1.070 176.982 175.800 0.186 0.000 1.082 69 F CA 3.239 61.309 58.000 0.116 0.000 1.313 69 F CB 0.446 39.483 39.000 0.060 0.000 1.024 69 F HN 0.239 8.720 8.300 0.355 0.033 0.495 70 N N -1.070 117.567 118.700 -0.105 0.000 2.132 70 N HA -0.251 nan 4.740 nan 0.000 0.187 70 N C 1.563 176.983 175.510 -0.151 0.000 1.038 70 N CA 2.997 55.979 53.050 -0.114 0.000 0.846 70 N CB -0.327 38.181 38.487 0.035 0.000 1.012 70 N HN -0.568 8.224 8.380 0.071 -0.370 0.429 71 D N 0.842 121.203 120.400 -0.065 0.000 2.182 71 D HA -0.285 nan 4.640 nan 0.000 0.201 71 D C 1.912 178.162 176.300 -0.083 0.000 0.986 71 D CA 3.100 57.084 54.000 -0.026 0.000 0.847 71 D CB 0.086 40.895 40.800 0.015 0.000 0.942 71 D HN -0.411 8.274 8.370 -0.027 -0.331 0.467 72 F N 0.655 120.405 119.950 -0.333 0.000 2.091 72 F HA -0.386 nan 4.527 nan 0.000 0.299 72 F C 1.316 176.849 175.800 -0.444 0.000 1.103 72 F CA 3.412 61.150 58.000 -0.437 0.000 1.228 72 F CB 0.089 38.682 39.000 -0.677 0.000 0.984 72 F HN -0.080 8.169 8.300 -0.077 0.005 0.477 73 I N -2.017 118.105 120.570 -0.746 0.000 2.252 73 I HA -0.529 nan 4.170 nan 0.000 0.245 73 I C 1.984 177.904 176.117 -0.328 0.000 1.102 73 I CA 2.262 63.176 61.300 -0.643 0.000 1.385 73 I CB -1.549 36.162 38.000 -0.481 0.000 1.064 73 I HN -0.456 7.279 8.210 -0.627 0.099 0.414 74 H N 1.215 120.138 119.070 -0.245 0.000 2.321 74 H HA -0.297 nan 4.556 nan 0.000 0.300 74 H C 2.344 177.615 175.328 -0.096 0.000 1.087 74 H CA 3.480 59.449 56.048 -0.132 0.000 1.319 74 H CB 0.075 29.785 29.762 -0.087 0.000 1.379 74 H HN -0.451 7.682 8.280 -0.125 0.072 0.501 75 L N -1.197 119.805 121.223 -0.369 0.000 2.043 75 L HA -0.392 nan 4.340 nan 0.000 0.212 75 L C 1.575 178.431 176.870 -0.024 0.000 1.075 75 L CA 3.605 58.293 54.840 -0.254 0.000 0.752 75 L CB -0.507 41.461 42.059 -0.151 0.000 0.891 75 L HN -0.130 7.961 8.230 -0.231 0.000 0.432 76 C N -1.855 117.373 119.300 -0.119 0.000 2.432 76 C HA -0.365 nan 4.460 nan 0.000 0.280 76 C C 2.273 177.432 174.990 0.282 0.000 1.353 76 C CA 3.146 62.278 59.018 0.190 0.000 1.766 76 C CB -2.214 25.298 27.740 -0.380 0.000 1.924 76 C HN -0.221 7.708 8.230 -0.386 0.069 0.509 77 E N 0.342 120.513 120.200 -0.049 0.000 2.072 77 E HA -0.373 nan 4.350 nan 0.000 0.191 77 E C 1.712 178.174 176.600 -0.230 0.000 0.985 77 E CA 3.140 59.485 56.400 -0.092 0.000 0.801 77 E CB -0.246 29.435 29.700 -0.032 0.000 0.750 77 E HN 0.021 8.178 8.360 -0.155 0.109 0.452 78 Q N -1.407 118.203 119.800 -0.315 0.000 2.013 78 Q HA -0.110 nan 4.340 nan 0.000 0.195 78 Q C 2.508 178.239 176.000 -0.449 0.000 0.974 78 Q CA 2.471 58.078 55.803 -0.326 0.000 0.826 78 Q CB 0.656 29.192 28.738 -0.337 0.000 0.895 78 Q HN -0.404 7.651 8.270 -0.358 0.000 0.448 79 A N -0.755 121.786 122.820 -0.466 0.000 1.986 79 A HA -0.320 nan 4.320 nan 0.000 0.220 79 A C 1.595 178.450 177.584 -1.215 0.000 1.171 79 A CA 3.224 54.942 52.037 -0.531 0.000 0.640 79 A CB -0.856 18.300 19.000 0.260 0.000 0.811 79 A HN 0.132 8.156 8.150 -0.209 0.000 0.451 80 R N -3.161 115.864 120.500 -2.459 0.000 2.127 80 R HA -0.308 nan 4.340 nan 0.000 0.238 80 R C 1.824 177.745 176.300 -0.633 0.000 1.134 80 R CA 2.470 57.606 56.100 -1.606 0.000 0.975 80 R CB -0.551 29.113 30.300 -1.061 0.000 0.865 80 R HN 0.073 6.641 8.270 -2.788 0.030 0.447 81 Q N -3.486 116.026 119.800 -0.481 0.000 2.368 81 Q HA -0.219 nan 4.340 nan 0.000 0.210 81 Q C 0.809 176.689 176.000 -0.200 0.000 0.982 81 Q CA 2.583 58.227 55.803 -0.265 0.000 0.884 81 Q CB 0.280 28.896 28.738 -0.202 0.000 0.933 81 Q HN 0.060 7.859 8.270 -0.549 0.142 0.460 82 I N -5.787 114.658 120.570 -0.209 0.000 4.317 82 I HA 0.098 nan 4.170 nan 0.000 0.289 82 I C -1.109 174.943 176.117 -0.110 0.000 1.164 82 I CA 0.240 61.459 61.300 -0.136 0.000 1.312 82 I CB 1.915 39.843 38.000 -0.119 0.000 1.569 82 I HN -0.849 7.138 8.210 -0.270 0.061 0.450 83 V N -3.463 116.380 119.914 -0.119 0.000 3.385 83 V HA 0.057 nan 4.120 nan 0.000 0.301 83 V C -0.367 175.672 176.094 -0.092 0.000 1.082 83 V CA -2.845 59.400 62.300 -0.093 0.000 1.085 83 V CB 0.105 31.883 31.823 -0.076 0.000 1.152 83 V HN -0.692 7.406 8.190 -0.153 0.000 0.465 84 N N 0.883 119.523 118.700 -0.100 0.000 2.294 84 N HA -0.253 nan 4.740 nan 0.000 0.263 84 N C 1.461 176.949 175.510 -0.036 0.000 1.281 84 N CA 0.629 53.622 53.050 -0.094 0.000 0.846 84 N CB 0.203 38.583 38.487 -0.179 0.000 1.061 84 N HN -0.171 8.139 8.380 -0.117 0.000 0.478 85 E N 5.700 125.904 120.200 0.005 0.000 2.085 85 E HA -0.303 nan 4.350 nan 0.000 0.194 85 E C 1.888 178.584 176.600 0.160 0.000 0.994 85 E CA 2.724 59.173 56.400 0.082 0.000 0.801 85 E CB -1.067 28.686 29.700 0.089 0.000 0.743 85 E HN 0.542 8.900 8.360 -0.003 0.000 0.453 86 G N -1.239 107.621 108.800 0.100 0.000 2.469 86 G HA2 -0.289 nan 3.960 nan 0.000 0.219 86 G HA3 -0.289 nan 3.960 nan 0.000 0.219 86 G C 1.379 176.364 174.900 0.141 0.000 1.150 86 G CA 1.955 47.134 45.100 0.132 0.000 0.763 86 G HN 0.496 8.800 8.290 0.052 0.017 0.561 87 M N 1.777 121.359 119.600 -0.030 0.000 2.156 87 M HA -0.279 nan 4.480 nan 0.000 0.264 87 M C 0.934 177.304 176.300 0.116 0.000 1.067 87 M CA 3.009 58.270 55.300 -0.065 0.000 1.131 87 M CB 0.027 32.485 32.600 -0.237 0.000 1.368 87 M HN -0.800 7.418 8.290 -0.089 0.018 0.416 88 F N -0.283 119.668 119.950 0.002 0.000 2.069 88 F HA -0.422 nan 4.527 nan 0.000 0.298 88 F C 1.513 177.382 175.800 0.116 0.000 1.113 88 F CA 4.341 62.355 58.000 0.023 0.000 1.214 88 F CB -0.115 38.868 39.000 -0.028 0.000 0.978 88 F HN -0.639 7.726 8.300 0.233 0.074 0.474 89 V N -0.470 119.591 119.914 0.246 0.000 2.332 89 V HA -0.495 nan 4.120 nan 0.000 0.248 89 V C 0.970 177.246 176.094 0.303 0.000 1.055 89 V CA 4.351 66.831 62.300 0.299 0.000 1.038 89 V CB -0.871 31.231 31.823 0.464 0.000 0.651 89 V HN 0.418 8.809 8.190 0.334 0.000 0.450 90 Y N 0.582 121.035 120.300 0.254 0.000 2.097 90 Y HA -0.557 nan 4.550 nan 0.000 0.282 90 Y C 1.327 177.374 175.900 0.246 0.000 1.152 90 Y CA 4.387 62.662 58.100 0.292 0.000 1.136 90 Y CB -0.255 38.356 38.460 0.252 0.000 0.975 90 Y HN -0.474 8.071 8.280 0.443 0.000 0.498 91 A N -1.976 121.053 122.820 0.349 0.000 1.877 91 A HA -0.379 nan 4.320 nan 0.000 0.216 91 A C 1.792 179.408 177.584 0.053 0.000 1.186 91 A CA 3.201 55.394 52.037 0.259 0.000 0.620 91 A CB -0.530 18.536 19.000 0.110 0.000 0.822 91 A HN 0.086 8.432 8.150 0.326 0.000 0.443 92 V N -4.857 114.989 119.914 -0.115 0.000 2.759 92 V HA -0.327 nan 4.120 nan 0.000 0.256 92 V C 1.992 178.161 176.094 0.125 0.000 1.080 92 V CA 3.032 65.264 62.300 -0.113 0.000 1.101 92 V CB -1.387 30.181 31.823 -0.424 0.000 0.698 92 V HN 0.170 8.238 8.190 -0.204 0.000 0.477 93 S N 1.325 117.097 115.700 0.119 0.000 2.348 93 S HA -0.305 nan 4.470 nan 0.000 0.221 93 S C 1.658 176.285 174.600 0.045 0.000 1.033 93 S CA 3.734 61.999 58.200 0.109 0.000 1.010 93 S CB -0.094 63.174 63.200 0.114 0.000 0.891 93 S HN 0.111 8.383 8.310 0.115 0.107 0.442 94 V N 1.666 121.607 119.914 0.046 0.000 2.407 94 V HA -0.411 nan 4.120 nan 0.000 0.248 94 V C 2.179 178.369 176.094 0.159 0.000 1.055 94 V CA 3.709 66.102 62.300 0.155 0.000 1.049 94 V CB -1.186 30.806 31.823 0.283 0.000 0.662 94 V HN -0.526 7.687 8.190 0.039 0.000 0.455 95 A N -0.845 121.909 122.820 -0.110 0.000 1.902 95 A HA -0.229 nan 4.320 nan 0.000 0.217 95 A C 1.316 178.717 177.584 -0.306 0.000 1.181 95 A CA 3.630 55.436 52.037 -0.385 0.000 0.623 95 A CB -0.207 18.621 19.000 -0.287 0.000 0.818 95 A HN 0.244 8.364 8.150 -0.050 0.000 0.443 96 V N -2.207 117.673 119.914 -0.057 0.000 3.620 96 V HA -0.052 nan 4.120 nan 0.000 0.286 96 V C 0.247 176.320 176.094 -0.035 0.000 1.288 96 V CA 1.363 63.639 62.300 -0.040 0.000 1.178 96 V CB -1.198 30.998 31.823 0.621 0.000 0.986 96 V HN -0.330 7.799 8.190 0.203 0.182 0.431 97 L N -2.630 118.484 121.223 -0.182 0.000 2.253 97 L HA -0.054 nan 4.340 nan 0.000 0.205 97 L C 0.555 177.200 176.870 -0.374 0.000 1.078 97 L CA 2.148 56.749 54.840 -0.398 0.000 0.805 97 L CB 0.926 42.526 42.059 -0.764 0.000 0.963 97 L HN -0.055 7.940 8.230 -0.148 0.145 0.459 98 H N -6.568 112.530 119.070 0.048 0.000 3.233 98 H HA 0.202 nan 4.556 nan 0.000 0.263 98 H C -0.481 174.937 175.328 0.150 0.000 1.168 98 H CA -0.641 55.507 56.048 0.167 0.000 1.159 98 H CB 1.816 31.865 29.762 0.479 0.000 1.593 98 H HN -0.325 7.773 8.280 -0.074 0.138 0.580 99 R N 0.178 120.726 120.500 0.080 0.000 2.239 99 R HA 0.248 nan 4.340 nan 0.000 0.332 99 R C -0.661 175.658 176.300 0.030 0.000 0.988 99 R CA -1.741 54.390 56.100 0.052 0.000 0.859 99 R CB 0.145 30.430 30.300 -0.025 0.000 1.148 99 R HN -0.503 7.718 8.270 -0.082 0.000 0.482 100 E N 6.488 126.735 120.200 0.078 0.000 2.148 100 E HA -0.080 nan 4.350 nan 0.000 0.308 100 E C -0.944 175.696 176.600 0.067 0.000 1.278 100 E CA 0.360 56.804 56.400 0.072 0.000 1.368 100 E CB -0.989 28.757 29.700 0.078 0.000 1.229 100 E HN 0.436 8.848 8.360 0.086 0.000 0.494 101 D N -0.516 119.945 120.400 0.102 0.000 2.712 101 D HA 0.114 nan 4.640 nan 0.000 0.300 101 D C -0.354 175.987 176.300 0.070 0.000 1.521 101 D CA 0.319 54.400 54.000 0.135 0.000 0.790 101 D CB -0.205 40.750 40.800 0.258 0.000 1.155 101 D HN 0.419 8.773 8.370 0.119 0.087 0.456 102 C N -0.130 119.148 119.300 -0.038 0.000 2.964 102 C HA 0.237 nan 4.460 nan 0.000 0.358 102 C C 0.393 175.192 174.990 -0.319 0.000 1.289 102 C CA -0.978 57.907 59.018 -0.222 0.000 1.856 102 C CB 0.490 28.211 27.740 -0.032 0.000 2.488 102 C HN -0.290 7.931 8.230 -0.015 0.000 0.604 103 K N 1.920 122.190 120.400 -0.216 0.000 2.404 103 K HA -0.265 nan 4.320 nan 0.000 0.271 103 K C 0.230 176.666 176.600 -0.273 0.000 1.130 103 K CA 1.597 57.757 56.287 -0.211 0.000 1.181 103 K CB -0.613 31.798 32.500 -0.148 0.000 0.840 103 K HN -0.403 7.753 8.250 -0.157 0.000 0.483 104 G N 3.988 112.614 108.800 -0.291 0.000 2.155 104 G HA2 -0.283 nan 3.960 nan 0.000 0.130 104 G HA3 -0.283 nan 3.960 nan 0.000 0.130 104 G C -1.427 173.258 174.900 -0.358 0.000 1.027 104 G CA -0.542 44.359 45.100 -0.331 0.000 0.705 104 G HN 0.631 8.762 8.290 -0.265 0.000 0.496 105 I N 0.763 121.137 120.570 -0.327 0.000 2.404 105 I HA 0.306 nan 4.170 nan 0.000 0.293 105 I C -2.001 173.984 176.117 -0.220 0.000 0.992 105 I CA -2.043 59.091 61.300 -0.277 0.000 1.149 105 I CB 2.056 39.902 38.000 -0.256 0.000 1.315 105 I HN -0.282 7.751 8.210 -0.296 0.000 0.446 106 T N 8.489 122.916 114.554 -0.211 0.000 2.867 106 T HA 0.171 nan 4.350 nan 0.000 0.282 106 T C -0.562 174.031 174.700 -0.177 0.000 1.000 106 T CA -1.293 60.700 62.100 -0.178 0.000 1.042 106 T CB 1.110 69.887 68.868 -0.153 0.000 0.973 106 T HN -0.358 7.996 8.240 -0.207 -0.238 0.465 107 V N 5.504 125.329 119.914 -0.149 0.000 2.508 107 V HA 0.072 nan 4.120 nan 0.000 0.281 107 V C -1.244 174.724 176.094 -0.210 0.000 1.041 107 V CA -2.629 59.574 62.300 -0.162 0.000 1.016 107 V CB -0.647 31.123 31.823 -0.088 0.000 0.984 107 V HN 0.483 8.600 8.190 -0.121 0.000 0.478 108 P HA 0.083 nan 4.420 nan 0.000 0.260 108 P C -2.658 174.633 177.300 -0.014 0.000 1.185 108 P CA -0.897 62.020 63.100 -0.306 0.000 0.763 108 P CB 0.147 31.514 31.700 -0.554 0.000 0.776 109 P HA -0.014 nan 4.420 nan 0.000 0.261 109 P C 0.917 178.289 177.300 0.121 0.000 1.203 109 P CA 0.014 63.181 63.100 0.111 0.000 0.767 109 P CB 0.268 32.015 31.700 0.079 0.000 0.785 110 I N 0.085 120.732 120.570 0.128 0.000 2.423 110 I HA -0.521 nan 4.170 nan 0.000 0.254 110 I C 0.857 176.993 176.117 0.032 0.000 1.151 110 I CA 3.533 64.886 61.300 0.089 0.000 1.421 110 I CB -0.362 37.574 38.000 -0.106 0.000 1.079 110 I HN 0.425 8.760 8.210 0.209 0.000 0.431 111 Q N -1.531 118.122 119.800 -0.245 0.000 2.172 111 Q HA -0.278 nan 4.340 nan 0.000 0.200 111 Q C 1.168 176.989 176.000 -0.298 0.000 0.964 111 Q CA 3.098 58.452 55.803 -0.748 0.000 0.855 111 Q CB -0.692 27.500 28.738 -0.910 0.000 0.918 111 Q HN 0.156 8.272 8.270 -0.154 0.061 0.444 112 E N -2.654 117.472 120.200 -0.123 0.000 2.216 112 E HA -0.037 nan 4.350 nan 0.000 0.192 112 E C 1.469 178.066 176.600 -0.004 0.000 0.973 112 E CA 1.525 57.896 56.400 -0.050 0.000 0.851 112 E CB 1.350 31.013 29.700 -0.062 0.000 0.804 112 E HN -0.424 7.752 8.360 -0.090 0.130 0.477 113 V N -5.442 114.492 119.914 0.035 0.000 2.649 113 V HA -0.077 nan 4.120 nan 0.000 0.248 113 V C 0.036 175.923 176.094 -0.344 0.000 1.054 113 V CA 1.972 64.219 62.300 -0.087 0.000 1.073 113 V CB 0.343 32.205 31.823 0.065 0.000 0.699 113 V HN -0.095 8.044 8.190 0.092 0.107 0.463 114 F N -1.383 118.636 119.950 0.116 0.000 2.550 114 F HA 0.583 nan 4.527 nan 0.000 0.348 114 F C -1.517 174.402 175.800 0.199 0.000 1.219 114 F CA -3.378 54.708 58.000 0.143 0.000 1.203 114 F CB 1.301 40.380 39.000 0.131 0.000 1.436 114 F HN -0.398 7.904 8.300 0.194 0.114 0.541 115 P HA -0.135 nan 4.420 nan 0.000 0.225 115 P C 0.663 178.166 177.300 0.339 0.000 1.156 115 P CA 1.936 65.186 63.100 0.249 0.000 0.787 115 P CB 0.075 31.852 31.700 0.128 0.000 0.802 116 D N -1.120 119.468 120.400 0.312 0.000 2.149 116 D HA -0.320 nan 4.640 nan 0.000 0.198 116 D C 0.551 176.988 176.300 0.229 0.000 0.990 116 D CA 2.551 56.708 54.000 0.261 0.000 0.839 116 D CB -1.728 39.237 40.800 0.275 0.000 0.948 116 D HN 0.419 8.933 8.370 0.337 0.058 0.460 117 R N -3.196 117.439 120.500 0.226 0.000 2.328 117 R HA -0.161 nan 4.340 nan 0.000 0.207 117 R C 0.406 176.532 176.300 -0.290 0.000 1.056 117 R CA 1.491 57.558 56.100 -0.055 0.000 1.016 117 R CB -0.551 29.660 30.300 -0.148 0.000 0.872 117 R HN -0.274 8.193 8.270 0.328 0.000 0.471 118 F N -3.216 116.734 119.950 0.000 0.000 2.592 118 F HA 0.087 nan 4.527 nan 0.000 0.280 118 F C -0.575 175.213 175.800 -0.020 0.000 1.083 118 F CA 2.220 60.198 58.000 -0.037 0.000 1.365 118 F CB 2.317 41.283 39.000 -0.058 0.000 1.100 118 F HN -0.367 7.945 8.300 0.350 0.199 0.633 119 V N -6.031 114.005 119.914 0.202 0.000 2.850 119 V HA 0.524 nan 4.120 nan 0.000 0.315 119 V C -2.550 173.622 176.094 0.130 0.000 1.064 119 V CA -3.985 58.404 62.300 0.148 0.000 0.979 119 V CB -0.166 31.745 31.823 0.147 0.000 1.039 119 V HN -0.678 7.649 8.190 0.229 0.000 0.452 120 P HA 0.235 nan 4.420 nan 0.000 0.290 120 P C -0.619 176.738 177.300 0.094 0.000 1.276 120 P CA -1.185 61.977 63.100 0.104 0.000 0.808 120 P CB 0.924 32.664 31.700 0.067 0.000 0.966 121 A N 6.035 128.918 122.820 0.104 0.000 1.935 121 A HA -0.485 nan 4.320 nan 0.000 0.224 121 A C 2.142 179.770 177.584 0.074 0.000 1.324 121 A CA 3.447 55.542 52.037 0.098 0.000 0.686 121 A CB -0.568 18.505 19.000 0.122 0.000 0.837 121 A HN 0.313 8.545 8.150 0.136 0.000 0.481 122 E N -3.405 116.828 120.200 0.055 0.000 2.106 122 E HA -0.265 nan 4.350 nan 0.000 0.192 122 E C 2.094 178.731 176.600 0.061 0.000 0.984 122 E CA 3.243 59.673 56.400 0.050 0.000 0.806 122 E CB 0.243 29.964 29.700 0.035 0.000 0.750 122 E HN -0.484 8.133 8.360 0.038 -0.234 0.458 123 T N 0.317 114.914 114.554 0.071 0.000 3.067 123 T HA 0.064 nan 4.350 nan 0.000 0.257 123 T C 2.033 176.784 174.700 0.084 0.000 1.105 123 T CA 2.315 64.463 62.100 0.079 0.000 1.104 123 T CB -0.427 68.497 68.868 0.094 0.000 0.925 123 T HN -0.220 8.030 8.240 0.073 0.034 0.498 124 I N 1.178 121.801 120.570 0.088 0.000 2.252 124 I HA -0.493 nan 4.170 nan 0.000 0.245 124 I C 1.161 177.323 176.117 0.075 0.000 1.102 124 I CA 3.612 64.965 61.300 0.088 0.000 1.385 124 I CB -0.133 37.925 38.000 0.096 0.000 1.064 124 I HN -0.236 8.028 8.210 0.090 0.000 0.414 125 N N -0.142 118.600 118.700 0.069 0.000 2.051 125 N HA -0.255 nan 4.740 nan 0.000 0.192 125 N C 2.090 177.638 175.510 0.062 0.000 1.049 125 N CA 3.178 56.265 53.050 0.062 0.000 0.845 125 N CB -0.240 38.281 38.487 0.057 0.000 1.031 125 N HN -0.385 7.947 8.380 0.071 0.090 0.425 126 R N -1.339 119.197 120.500 0.060 0.000 2.170 126 R HA -0.293 nan 4.340 nan 0.000 0.242 126 R C 1.376 177.713 176.300 0.062 0.000 1.145 126 R CA 2.970 59.105 56.100 0.058 0.000 0.984 126 R CB -0.190 30.141 30.300 0.052 0.000 0.869 126 R HN 0.363 8.668 8.270 0.059 0.000 0.455 127 A N -2.865 119.994 122.820 0.064 0.000 1.884 127 A HA 0.055 nan 4.320 nan 0.000 0.212 127 A C 1.049 178.675 177.584 0.069 0.000 1.265 127 A CA 1.946 54.022 52.037 0.064 0.000 0.626 127 A CB 0.790 19.829 19.000 0.065 0.000 0.943 127 A HN -0.069 8.073 8.150 0.065 0.048 0.466 128 N N -2.624 116.118 118.700 0.069 0.000 2.516 128 N HA 0.103 nan 4.740 nan 0.000 0.197 128 N C 1.981 177.525 175.510 0.057 0.000 1.064 128 N CA 1.681 54.773 53.050 0.071 0.000 0.866 128 N CB 1.113 39.647 38.487 0.078 0.000 1.255 128 N HN -0.240 8.181 8.380 0.068 0.000 0.447 129 K N 2.865 123.297 120.400 0.053 0.000 2.002 129 K HA -0.324 nan 4.320 nan 0.000 0.209 129 K C 2.267 178.885 176.600 0.030 0.000 1.048 129 K CA 3.814 60.123 56.287 0.036 0.000 0.930 129 K CB 0.036 32.560 32.500 0.040 0.000 0.714 129 K HN -0.345 7.941 8.250 0.061 0.000 0.438 130 E N -0.891 119.343 120.200 0.056 0.000 2.209 130 E HA -0.338 nan 4.350 nan 0.000 0.196 130 E C 2.058 178.712 176.600 0.091 0.000 0.993 130 E CA 2.668 59.121 56.400 0.089 0.000 0.819 130 E CB -0.268 29.506 29.700 0.123 0.000 0.745 130 E HN -0.268 8.129 8.360 0.062 0.000 0.477 131 A N -0.427 122.435 122.820 0.070 0.000 1.858 131 A HA -0.185 nan 4.320 nan 0.000 0.216 131 A C 1.668 179.276 177.584 0.040 0.000 1.190 131 A CA 3.166 55.244 52.037 0.069 0.000 0.617 131 A CB -0.785 18.262 19.000 0.078 0.000 0.827 131 A HN 0.002 8.074 8.150 0.068 0.118 0.443 132 S N -1.062 114.646 115.700 0.013 0.000 2.383 132 S HA -0.242 nan 4.470 nan 0.000 0.229 132 S C 1.567 176.126 174.600 -0.069 0.000 1.030 132 S CA 2.539 60.724 58.200 -0.024 0.000 1.002 132 S CB 0.159 63.341 63.200 -0.029 0.000 0.829 132 S HN -0.261 8.062 8.310 0.022 0.000 0.467 133 N N 0.669 119.306 118.700 -0.106 0.000 2.171 133 N HA -0.156 nan 4.740 nan 0.000 0.184 133 N C -0.338 174.865 175.510 -0.510 0.000 1.021 133 N CA 1.617 54.479 53.050 -0.313 0.000 0.854 133 N CB 1.095 39.380 38.487 -0.335 0.000 0.994 133 N HN -0.189 8.042 8.380 -0.050 0.118 0.426 134 H N -2.926 116.153 119.070 0.014 0.000 3.221 134 H HA 0.296 nan 4.556 nan 0.000 0.324 134 H C -2.278 173.060 175.328 0.016 0.000 1.212 134 H CA -2.203 53.852 56.048 0.012 0.000 1.624 134 H CB 0.192 29.960 29.762 0.011 0.000 1.899 134 H HN -0.043 8.175 8.280 0.074 0.106 0.538 135 P HA 0.418 nan 4.420 nan 0.000 0.275 135 P C -1.481 175.859 177.300 0.067 0.000 1.266 135 P CA -0.193 62.955 63.100 0.081 0.000 0.793 135 P CB 1.366 33.102 31.700 0.060 0.000 1.074 136 D N -2.549 117.886 120.400 0.059 0.000 2.720 136 D HA -0.043 nan 4.640 nan 0.000 0.239 136 D C -1.010 175.316 176.300 0.043 0.000 1.218 136 D CA 0.115 54.142 54.000 0.045 0.000 0.748 136 D CB 1.785 42.604 40.800 0.033 0.000 1.387 136 D HN -0.236 8.174 8.370 0.066 0.000 0.438 137 Q N -0.211 119.609 119.800 0.033 0.000 2.364 137 Q HA -0.219 nan 4.340 nan 0.000 0.209 137 Q C 0.089 176.091 176.000 0.003 0.000 0.977 137 Q CA 1.324 57.142 55.803 0.024 0.000 0.885 137 Q CB 0.266 29.016 28.738 0.019 0.000 0.941 137 Q HN 0.297 8.584 8.270 0.029 0.000 0.464 138 Q N -0.640 119.163 119.800 0.005 0.000 2.394 138 Q HA -0.065 nan 4.340 nan 0.000 0.248 138 Q C -0.658 175.336 176.000 -0.011 0.000 0.992 138 Q CA 0.163 55.962 55.803 -0.006 0.000 0.888 138 Q CB 0.602 29.340 28.738 -0.000 0.000 1.257 138 Q HN -0.712 7.720 8.270 0.013 -0.154 0.462 139 S N 1.466 117.153 115.700 -0.022 0.000 2.576 139 S HA 0.126 nan 4.470 nan 0.000 0.272 139 S C -0.777 173.821 174.600 -0.004 0.000 1.352 139 S CA 1.192 59.378 58.200 -0.024 0.000 1.021 139 S CB 0.433 63.616 63.200 -0.029 0.000 0.887 139 S HN 0.198 8.493 8.310 -0.024 0.000 0.542 140 I N 2.116 122.689 120.570 0.005 0.000 2.466 140 I HA 0.237 nan 4.170 nan 0.000 0.289 140 I C -1.825 174.302 176.117 0.017 0.000 1.026 140 I CA -0.412 60.899 61.300 0.018 0.000 1.078 140 I CB 3.434 41.455 38.000 0.034 0.000 1.249 140 I HN 0.327 8.538 8.210 0.001 0.000 0.429 141 V N 8.974 128.897 119.914 0.014 0.000 2.525 141 V HA 0.630 nan 4.120 nan 0.000 0.299 141 V C -2.014 174.089 176.094 0.015 0.000 1.034 141 V CA -1.384 60.921 62.300 0.009 0.000 0.863 141 V CB 2.121 33.940 31.823 -0.007 0.000 0.999 141 V HN -0.173 8.026 8.190 0.014 0.000 0.423 142 V N 3.430 123.358 119.914 0.023 0.000 3.147 142 V HA 0.510 nan 4.120 nan 0.000 0.306 142 V C -2.386 173.734 176.094 0.042 0.000 1.209 142 V CA -2.193 60.127 62.300 0.034 0.000 1.023 142 V CB 4.163 36.013 31.823 0.044 0.000 1.059 142 V HN 0.406 8.612 8.190 0.026 0.000 0.435 143 E N 1.796 122.031 120.200 0.057 0.000 2.044 143 E HA 0.281 nan 4.350 nan 0.000 0.282 143 E C 0.558 177.231 176.600 0.122 0.000 1.031 143 E CA -1.787 54.664 56.400 0.085 0.000 0.824 143 E CB 0.894 30.664 29.700 0.116 0.000 1.076 143 E HN 0.326 8.720 8.360 0.057 0.000 0.395 144 A N 8.109 131.013 122.820 0.140 0.000 2.001 144 A HA -0.422 nan 4.320 nan 0.000 0.224 144 A C 0.801 178.494 177.584 0.181 0.000 1.203 144 A CA 3.110 55.255 52.037 0.180 0.000 0.667 144 A CB -0.646 18.500 19.000 0.243 0.000 0.823 144 A HN 0.984 9.100 8.150 0.109 0.099 0.473 145 E N -1.921 118.410 120.200 0.219 0.000 2.097 145 E HA -0.239 nan 4.350 nan 0.000 0.196 145 E C 0.296 176.971 176.600 0.125 0.000 1.000 145 E CA 1.150 57.668 56.400 0.197 0.000 0.804 145 E CB 0.272 30.059 29.700 0.146 0.000 0.740 145 E HN -0.016 8.385 8.360 0.235 0.099 0.454 146 E N -4.040 116.209 120.200 0.082 0.000 8.880 146 E HA -0.309 nan 4.350 nan 0.000 0.183 146 E C -1.673 174.936 176.600 0.016 0.000 1.450 146 E CA 0.648 57.066 56.400 0.030 0.000 2.521 146 E CB 0.217 29.908 29.700 -0.014 0.000 1.229 146 E HN -0.197 8.201 8.360 0.093 0.017 0.443 147 T N 1.539 116.083 114.554 -0.016 0.000 3.172 147 T HA 0.235 nan 4.350 nan 0.000 0.320 147 T C -1.543 173.127 174.700 -0.050 0.000 1.085 147 T CA -0.290 61.798 62.100 -0.021 0.000 1.052 147 T CB 1.232 70.097 68.868 -0.005 0.000 1.107 147 T HN -0.167 8.055 8.240 -0.030 0.000 0.458 148 G N 2.214 110.970 108.800 -0.073 0.000 2.523 148 G HA2 0.019 nan 3.960 nan 0.000 0.291 148 G HA3 0.019 nan 3.960 nan 0.000 0.291 148 G C -2.316 172.525 174.900 -0.098 0.000 1.450 148 G CA -0.009 45.036 45.100 -0.092 0.000 0.790 148 G HN -0.257 7.994 8.290 -0.065 0.000 0.496 149 N N -0.002 118.651 118.700 -0.079 0.000 2.406 149 N HA 0.137 nan 4.740 nan 0.000 0.251 149 N C 0.102 175.567 175.510 -0.075 0.000 1.069 149 N CA -0.613 52.402 53.050 -0.058 0.000 0.947 149 N CB 0.336 38.804 38.487 -0.031 0.000 1.111 149 N HN 0.033 8.371 8.380 -0.070 0.000 0.497 150 I N 6.681 127.217 120.570 -0.058 0.000 2.224 150 I HA 0.003 nan 4.170 nan 0.000 0.293 150 I C 0.042 176.166 176.117 0.013 0.000 1.155 150 I CA 0.087 61.366 61.300 -0.035 0.000 1.297 150 I CB -1.158 36.860 38.000 0.030 0.000 1.487 150 I HN 0.450 8.638 8.210 -0.036 0.000 0.564 151 L N 5.715 126.942 121.223 0.007 0.000 2.072 151 L HA -0.142 nan 4.340 nan 0.000 0.205 151 L C 0.757 177.655 176.870 0.046 0.000 1.079 151 L CA 1.370 56.224 54.840 0.023 0.000 0.752 151 L CB -0.270 41.799 42.059 0.016 0.000 0.906 151 L HN -0.119 8.046 8.230 -0.014 0.056 0.436 152 D N -0.712 119.727 120.400 0.063 0.000 2.348 152 D HA 0.175 nan 4.640 nan 0.000 0.253 152 D C -0.673 175.704 176.300 0.129 0.000 1.161 152 D CA -1.864 52.195 54.000 0.099 0.000 0.876 152 D CB 1.090 41.966 40.800 0.127 0.000 1.160 152 D HN -0.377 8.021 8.370 0.046 0.000 0.459 153 P HA -0.178 nan 4.420 nan 0.000 0.216 153 P C 0.911 178.274 177.300 0.104 0.000 1.153 153 P CA 1.759 64.912 63.100 0.088 0.000 0.848 153 P CB 0.438 32.170 31.700 0.054 0.000 0.787 154 E N -2.248 118.025 120.200 0.123 0.000 2.204 154 E HA -0.249 nan 4.350 nan 0.000 0.194 154 E C 2.009 178.691 176.600 0.137 0.000 0.989 154 E CA 1.997 58.465 56.400 0.114 0.000 0.824 154 E CB -0.471 29.309 29.700 0.133 0.000 0.756 154 E HN -0.495 8.315 8.360 0.132 -0.371 0.477 155 Y N 0.671 121.028 120.300 0.095 0.000 2.283 155 Y HA -0.412 nan 4.550 nan 0.000 0.285 155 Y C 1.830 177.776 175.900 0.077 0.000 1.176 155 Y CA 2.719 60.880 58.100 0.103 0.000 1.229 155 Y CB -0.143 38.375 38.460 0.096 0.000 0.975 155 Y HN -0.279 8.447 8.280 0.322 -0.253 0.537 156 K N -1.140 119.197 120.400 -0.104 0.000 2.015 156 K HA -0.417 nan 4.320 nan 0.000 0.216 156 K C 1.995 178.493 176.600 -0.169 0.000 1.052 156 K CA 2.957 59.177 56.287 -0.112 0.000 0.937 156 K CB -0.568 31.941 32.500 0.014 0.000 0.719 156 K HN -0.500 7.765 8.250 0.063 0.023 0.446 157 L N -3.193 117.883 121.223 -0.245 0.000 2.633 157 L HA -0.114 nan 4.340 nan 0.000 0.235 157 L C 1.054 177.616 176.870 -0.513 0.000 1.163 157 L CA 1.187 55.686 54.840 -0.569 0.000 0.859 157 L CB -0.954 40.938 42.059 -0.278 0.000 0.973 157 L HN -0.144 7.912 8.230 -0.126 0.098 0.451 158 S N 0.217 115.738 115.700 -0.297 0.000 2.603 158 S HA -0.204 nan 4.470 nan 0.000 0.229 158 S C 1.310 175.863 174.600 -0.077 0.000 0.972 158 S CA 2.507 60.623 58.200 -0.141 0.000 0.935 158 S CB -0.305 62.834 63.200 -0.101 0.000 0.769 158 S HN -0.569 7.376 8.310 -0.278 0.199 0.536 159 Y N -0.834 119.483 120.300 0.028 0.000 2.181 159 Y HA -0.279 nan 4.550 nan 0.000 0.288 159 Y C 0.278 176.303 175.900 0.209 0.000 1.146 159 Y CA 1.771 59.938 58.100 0.112 0.000 1.164 159 Y CB -0.936 37.567 38.460 0.073 0.000 0.982 159 Y HN -0.476 7.630 8.280 -0.244 0.027 0.515 160 F N 0.266 120.109 119.950 -0.179 0.000 2.222 160 F HA 0.056 nan 4.527 nan 0.000 0.285 160 F C 1.775 177.561 175.800 -0.022 0.000 1.068 160 F CA 1.124 59.121 58.000 -0.005 0.000 1.265 160 F CB 1.708 40.663 39.000 -0.076 0.000 1.087 160 F HN -0.629 7.283 8.300 -0.396 0.150 0.511 161 R N -0.995 119.470 120.500 -0.058 0.000 2.091 161 R HA -0.323 nan 4.340 nan 0.000 0.238 161 R C 0.583 176.744 176.300 -0.232 0.000 1.136 161 R CA 3.072 59.079 56.100 -0.156 0.000 0.959 161 R CB 0.048 30.349 30.300 0.001 0.000 0.856 161 R HN -0.527 7.784 8.270 0.069 0.000 0.437 162 E N -4.546 115.581 120.200 -0.121 0.000 2.444 162 E HA 0.026 nan 4.350 nan 0.000 0.191 162 E C -1.430 175.133 176.600 -0.061 0.000 1.041 162 E CA -0.712 55.639 56.400 -0.081 0.000 0.883 162 E CB -0.235 29.476 29.700 0.019 0.000 1.024 162 E HN -0.207 8.080 8.360 -0.070 0.031 0.470 163 D N 0.035 120.378 120.400 -0.095 0.000 2.339 163 D HA -0.038 nan 4.640 nan 0.000 0.245 163 D C 0.672 176.961 176.300 -0.019 0.000 1.115 163 D CA -0.236 53.739 54.000 -0.042 0.000 0.917 163 D CB 1.431 42.212 40.800 -0.031 0.000 1.192 163 D HN -0.902 7.263 8.370 -0.189 0.091 0.428 164 I N 3.700 124.251 120.570 -0.032 0.000 2.142 164 I HA -0.278 nan 4.170 nan 0.000 0.240 164 I C 1.071 177.221 176.117 0.056 0.000 1.078 164 I CA 3.672 64.974 61.300 0.003 0.000 1.343 164 I CB 0.246 38.087 38.000 -0.266 0.000 1.046 164 I HN 0.420 8.577 8.210 -0.089 0.000 0.405 165 G N -2.952 105.841 108.800 -0.011 0.000 2.403 165 G HA2 -0.217 nan 3.960 nan 0.000 0.216 165 G HA3 -0.217 nan 3.960 nan 0.000 0.216 165 G C 1.436 176.258 174.900 -0.130 0.000 1.154 165 G CA 1.693 46.771 45.100 -0.037 0.000 0.784 165 G HN -0.175 8.114 8.290 -0.001 0.000 0.538 166 I N 2.913 123.306 120.570 -0.294 0.000 2.069 166 I HA -0.551 nan 4.170 nan 0.000 0.237 166 I C 1.656 177.672 176.117 -0.169 0.000 1.053 166 I CA 3.064 64.088 61.300 -0.461 0.000 1.311 166 I CB -0.804 36.850 38.000 -0.577 0.000 1.030 166 I HN -0.870 7.352 8.210 -0.283 -0.182 0.398 167 N N -1.141 117.522 118.700 -0.062 0.000 2.244 167 N HA -0.248 nan 4.740 nan 0.000 0.183 167 N C 2.314 177.931 175.510 0.179 0.000 1.016 167 N CA 3.021 56.062 53.050 -0.016 0.000 0.866 167 N CB -0.204 38.151 38.487 -0.221 0.000 0.980 167 N HN -0.079 8.277 8.380 -0.039 0.000 0.430 168 A N 0.413 123.396 122.820 0.273 0.000 1.877 168 A HA -0.279 nan 4.320 nan 0.000 0.216 168 A C 1.591 179.173 177.584 -0.003 0.000 1.186 168 A CA 3.198 55.293 52.037 0.097 0.000 0.620 168 A CB -0.784 18.258 19.000 0.070 0.000 0.822 168 A HN 0.138 8.483 8.150 0.326 0.000 0.443 169 H N 0.155 119.290 119.070 0.108 0.000 2.357 169 H HA -0.458 nan 4.556 nan 0.000 0.296 169 H C 1.982 177.517 175.328 0.345 0.000 1.108 169 H CA 4.052 60.244 56.048 0.239 0.000 1.273 169 H CB 0.001 29.862 29.762 0.165 0.000 1.367 169 H HN -0.194 8.206 8.280 0.200 0.000 0.498 170 H N -1.116 118.069 119.070 0.191 0.000 2.290 170 H HA -0.361 nan 4.556 nan 0.000 0.298 170 H C 2.781 178.335 175.328 0.376 0.000 1.087 170 H CA 3.787 59.997 56.048 0.269 0.000 1.291 170 H CB 0.250 30.134 29.762 0.202 0.000 1.369 170 H HN -0.561 7.920 8.280 0.366 0.018 0.492 171 W N 0.612 122.028 121.300 0.194 0.000 2.332 171 W HA -0.430 nan 4.660 nan 0.000 0.321 171 W C 1.729 178.385 176.519 0.229 0.000 1.219 171 W CA 3.983 61.446 57.345 0.197 0.000 1.277 171 W CB -0.283 29.243 29.460 0.110 0.000 1.161 171 W HN -0.452 8.015 8.180 0.479 0.000 0.476 172 H N -2.490 116.864 119.070 0.473 0.000 2.394 172 H HA -0.434 nan 4.556 nan 0.000 0.297 172 H C 2.306 177.681 175.328 0.079 0.000 1.113 172 H CA 3.230 59.423 56.048 0.241 0.000 1.277 172 H CB -0.872 29.006 29.762 0.193 0.000 1.370 172 H HN -0.015 8.300 8.280 0.057 0.000 0.506 173 W N -0.250 121.043 121.300 -0.012 0.000 2.358 173 W HA -0.378 nan 4.660 nan 0.000 0.303 173 W C 1.862 178.423 176.519 0.069 0.000 1.208 173 W CA 4.824 62.154 57.345 -0.025 0.000 1.274 173 W CB 0.044 29.431 29.460 -0.123 0.000 1.138 173 W HN 0.637 8.938 8.180 0.201 0.000 0.515 174 H N -3.470 115.807 119.070 0.344 0.000 2.539 174 H HA -0.054 nan 4.556 nan 0.000 0.267 174 H C 1.192 176.514 175.328 -0.009 0.000 0.982 174 H CA 2.549 58.734 56.048 0.228 0.000 1.146 174 H CB 0.235 30.178 29.762 0.301 0.000 1.382 174 H HN -0.672 7.881 8.280 0.455 0.000 0.577 175 I N -1.090 119.483 120.570 0.004 0.000 2.584 175 I HA -0.213 nan 4.170 nan 0.000 0.255 175 I C 1.442 177.477 176.117 -0.137 0.000 1.145 175 I CA 1.265 62.490 61.300 -0.125 0.000 1.462 175 I CB 0.919 38.869 38.000 -0.083 0.000 1.102 175 I HN -0.285 7.870 8.210 0.070 0.097 0.433 176 V N -4.007 115.758 119.914 -0.247 0.000 2.591 176 V HA -0.123 nan 4.120 nan 0.000 0.249 176 V C 0.097 175.688 176.094 -0.840 0.000 1.053 176 V CA 2.413 64.399 62.300 -0.524 0.000 1.068 176 V CB 0.440 31.873 31.823 -0.649 0.000 0.689 176 V HN -0.402 7.679 8.190 -0.181 0.000 0.462 177 Y N -1.543 118.536 120.300 -0.367 0.000 2.919 177 Y HA 0.545 nan 4.550 nan 0.000 0.341 177 Y C -2.580 173.311 175.900 -0.015 0.000 1.045 177 Y CA -3.720 54.186 58.100 -0.324 0.000 1.218 177 Y CB -0.540 37.579 38.460 -0.570 0.000 1.137 177 Y HN -0.105 7.778 8.280 -0.476 0.111 0.577 178 P HA 0.107 nan 4.420 nan 0.000 0.276 178 P C -0.031 177.376 177.300 0.178 0.000 1.230 178 P CA -0.274 62.945 63.100 0.197 0.000 0.776 178 P CB 0.762 32.555 31.700 0.154 0.000 0.888 179 A N 4.620 127.519 122.820 0.132 0.000 1.940 179 A HA -0.288 nan 4.320 nan 0.000 0.219 179 A C 0.698 178.306 177.584 0.040 0.000 1.176 179 A CA 3.232 55.307 52.037 0.064 0.000 0.631 179 A CB -0.456 18.554 19.000 0.016 0.000 0.814 179 A HN 0.647 8.877 8.150 0.134 0.000 0.446 180 T N -5.681 108.868 114.554 -0.008 0.000 3.252 180 T HA -0.091 nan 4.350 nan 0.000 0.250 180 T C 0.649 175.257 174.700 -0.154 0.000 1.123 180 T CA -1.169 60.878 62.100 -0.089 0.000 1.006 180 T CB -1.414 67.347 68.868 -0.178 0.000 0.992 180 T HN -0.176 8.050 8.240 -0.015 0.005 0.547 181 W N 4.290 125.468 121.300 -0.204 0.000 2.771 181 W HA -0.222 nan 4.660 nan 0.000 0.407 181 W C -1.739 174.681 176.519 -0.164 0.000 1.221 181 W CA -0.161 57.053 57.345 -0.217 0.000 1.539 181 W CB -0.946 28.413 29.460 -0.169 0.000 1.647 181 W HN -0.263 7.835 8.180 0.171 0.184 0.469 182 N N 7.957 126.364 118.700 -0.488 0.000 2.452 182 N HA -0.062 nan 4.740 nan 0.000 0.266 182 N C -1.110 174.015 175.510 -0.642 0.000 1.209 182 N CA -0.951 51.846 53.050 -0.421 0.000 0.929 182 N CB 0.923 39.197 38.487 -0.355 0.000 1.063 182 N HN -0.351 7.696 8.380 -0.490 0.039 0.472 183 P HA -0.118 nan 4.420 nan 0.000 0.216 183 P C 0.148 177.349 177.300 -0.166 0.000 1.153 183 P CA 1.947 64.973 63.100 -0.123 0.000 0.844 183 P CB 0.625 32.357 31.700 0.054 0.000 0.787 184 T N -4.577 109.890 114.554 -0.146 0.000 2.732 184 T HA -0.155 nan 4.350 nan 0.000 0.261 184 T C 2.858 177.475 174.700 -0.139 0.000 1.040 184 T CA 3.276 65.314 62.100 -0.104 0.000 1.145 184 T CB -0.547 68.278 68.868 -0.072 0.000 0.866 184 T HN -0.135 8.185 8.240 -0.153 -0.172 0.427 185 V N 2.075 121.874 119.914 -0.191 0.000 2.759 185 V HA -0.191 nan 4.120 nan 0.000 0.256 185 V C 1.210 177.137 176.094 -0.278 0.000 1.080 185 V CA 3.091 65.274 62.300 -0.195 0.000 1.101 185 V CB -0.649 31.062 31.823 -0.187 0.000 0.698 185 V HN 0.262 8.665 8.190 -0.200 -0.333 0.477 186 M N -2.682 116.656 119.600 -0.437 0.000 2.560 186 M HA 0.162 nan 4.480 nan 0.000 0.297 186 M C 0.444 176.623 176.300 -0.202 0.000 1.201 186 M CA -1.573 53.422 55.300 -0.508 0.000 0.973 186 M CB -0.662 31.204 32.600 -1.223 0.000 1.401 186 M HN -0.409 7.572 8.290 -0.473 0.025 0.497 187 G N 0.513 109.248 108.800 -0.108 0.000 2.458 187 G HA2 -0.409 nan 3.960 nan 0.000 0.237 187 G HA3 -0.409 nan 3.960 nan 0.000 0.237 187 G C -1.021 173.902 174.900 0.038 0.000 1.113 187 G CA 1.124 46.217 45.100 -0.011 0.000 0.655 187 G HN 0.129 8.140 8.290 -0.143 0.194 0.513 188 K N -0.517 119.945 120.400 0.103 0.000 2.522 188 K HA 0.358 nan 4.320 nan 0.000 0.275 188 K C -2.054 174.719 176.600 0.288 0.000 1.006 188 K CA -1.212 55.168 56.287 0.154 0.000 0.890 188 K CB 2.512 35.094 32.500 0.137 0.000 1.475 188 K HN -0.377 7.837 8.250 0.110 0.102 0.441 189 E N -0.194 120.124 120.200 0.197 0.000 2.285 189 E HA 0.207 nan 4.350 nan 0.000 0.254 189 E C -0.655 175.970 176.600 0.042 0.000 1.011 189 E CA -1.530 54.993 56.400 0.204 0.000 0.873 189 E CB 1.624 31.402 29.700 0.130 0.000 1.229 189 E HN 0.176 8.611 8.360 0.125 0.000 0.422 190 K N 0.211 120.611 120.400 0.000 0.000 2.572 190 K HA 0.281 nan 4.320 nan 0.000 0.244 190 K C -1.142 175.483 176.600 0.042 0.000 0.965 190 K CA -1.426 54.819 56.287 -0.070 0.000 0.943 190 K CB 0.891 33.258 32.500 -0.222 0.000 1.154 190 K HN 0.311 8.608 8.250 0.078 0.000 0.447 191 D N 5.305 125.743 120.400 0.064 0.000 2.502 191 D HA -0.185 nan 4.640 nan 0.000 0.249 191 D C -0.021 176.305 176.300 0.044 0.000 1.188 191 D CA 1.612 55.654 54.000 0.070 0.000 0.890 191 D CB -0.079 40.769 40.800 0.080 0.000 1.140 191 D HN 0.308 8.704 8.370 0.043 0.000 0.505 192 R N -0.259 120.260 120.500 0.032 0.000 3.641 192 R HA -0.536 nan 4.340 nan 0.000 0.286 192 R C 0.647 176.923 176.300 -0.039 0.000 1.153 192 R CA 1.102 57.212 56.100 0.017 0.000 0.775 192 R CB -1.928 28.389 30.300 0.029 0.000 1.215 192 R HN 0.665 8.964 8.270 0.049 0.000 0.474 193 K N -1.038 119.307 120.400 -0.091 0.000 2.152 193 K HA -0.279 nan 4.320 nan 0.000 0.206 193 K C 1.823 178.446 176.600 0.039 0.000 1.048 193 K CA 2.789 58.947 56.287 -0.214 0.000 0.933 193 K CB -0.573 31.815 32.500 -0.186 0.000 0.721 193 K HN -0.499 7.729 8.250 -0.037 0.000 0.447 194 G N -1.112 107.753 108.800 0.108 0.000 2.434 194 G HA2 -0.261 nan 3.960 nan 0.000 0.214 194 G HA3 -0.261 nan 3.960 nan 0.000 0.214 194 G C 0.340 175.413 174.900 0.288 0.000 1.202 194 G CA 1.676 46.919 45.100 0.238 0.000 0.788 194 G HN 0.197 8.828 8.290 0.077 -0.295 0.539 195 E N 2.382 122.685 120.200 0.173 0.000 2.058 195 E HA -0.286 nan 4.350 nan 0.000 0.194 195 E C 1.974 178.643 176.600 0.116 0.000 0.997 195 E CA 2.576 59.055 56.400 0.133 0.000 0.801 195 E CB -0.168 29.585 29.700 0.088 0.000 0.746 195 E HN -0.850 7.770 8.360 0.142 -0.174 0.450 196 L N -0.997 120.293 121.223 0.113 0.000 2.131 196 L HA -0.314 nan 4.340 nan 0.000 0.210 196 L C 1.154 178.186 176.870 0.269 0.000 1.092 196 L CA 2.777 57.726 54.840 0.182 0.000 0.759 196 L CB -0.515 41.634 42.059 0.149 0.000 0.903 196 L HN 0.069 8.351 8.230 0.087 0.000 0.435 197 F N 0.703 120.737 119.950 0.139 0.000 2.234 197 F HA -0.363 nan 4.527 nan 0.000 0.299 197 F C 1.298 176.990 175.800 -0.179 0.000 1.087 197 F CA 3.236 61.204 58.000 -0.054 0.000 1.340 197 F CB -0.061 38.966 39.000 0.046 0.000 1.031 197 F HN -0.485 7.934 8.300 0.392 0.116 0.500 198 F N 1.464 120.999 119.950 -0.691 0.000 2.026 198 F HA -0.491 nan 4.527 nan 0.000 0.296 198 F C 0.618 176.130 175.800 -0.481 0.000 1.133 198 F CA 2.998 60.371 58.000 -1.045 0.000 1.188 198 F CB -0.709 37.447 39.000 -1.406 0.000 0.968 198 F HN 0.046 8.193 8.300 -0.135 0.071 0.476 199 Y N -0.045 119.723 120.300 -0.888 0.000 2.049 199 Y HA -0.558 nan 4.550 nan 0.000 0.277 199 Y C 1.724 177.225 175.900 -0.664 0.000 1.143 199 Y CA 3.550 61.073 58.100 -0.961 0.000 1.115 199 Y CB -0.081 38.058 38.460 -0.535 0.000 0.975 199 Y HN -0.123 8.009 8.280 -0.248 0.000 0.487 200 M N -2.070 117.191 119.600 -0.564 0.000 2.143 200 M HA -0.528 nan 4.480 nan 0.000 0.258 200 M C 1.836 177.628 176.300 -0.847 0.000 1.071 200 M CA 3.055 57.892 55.300 -0.771 0.000 1.088 200 M CB -0.430 31.696 32.600 -0.791 0.000 1.360 200 M HN 0.082 8.232 8.290 -0.233 0.000 0.404 201 H N -2.062 116.635 119.070 -0.622 0.000 2.403 201 H HA -0.141 nan 4.556 nan 0.000 0.298 201 H C 2.448 177.597 175.328 -0.298 0.000 1.059 201 H CA 3.965 59.800 56.048 -0.356 0.000 1.363 201 H CB -0.434 29.114 29.762 -0.357 0.000 1.410 201 H HN -0.457 7.435 8.280 -0.422 0.135 0.528 202 Q N -0.099 119.477 119.800 -0.374 0.000 2.020 202 Q HA -0.402 nan 4.340 nan 0.000 0.202 202 Q C 2.330 178.097 176.000 -0.388 0.000 0.982 202 Q CA 3.460 59.069 55.803 -0.323 0.000 0.838 202 Q CB -0.166 28.299 28.738 -0.455 0.000 0.899 202 Q HN -0.006 7.947 8.270 -0.528 0.000 0.423 203 Q N -1.143 118.217 119.800 -0.733 0.000 2.112 203 Q HA -0.343 nan 4.340 nan 0.000 0.206 203 Q C 2.698 178.288 176.000 -0.684 0.000 0.987 203 Q CA 2.785 58.084 55.803 -0.839 0.000 0.858 203 Q CB -0.433 27.405 28.738 -1.500 0.000 0.905 203 Q HN 0.219 7.896 8.270 -0.989 0.000 0.420 204 M N -0.272 118.962 119.600 -0.611 0.000 2.082 204 M HA -0.434 nan 4.480 nan 0.000 0.258 204 M C 2.073 178.522 176.300 0.249 0.000 1.071 204 M CA 4.522 59.753 55.300 -0.114 0.000 1.103 204 M CB -0.018 32.712 32.600 0.216 0.000 1.307 204 M HN 0.059 7.927 8.290 -0.703 0.000 0.409 205 C N -2.523 116.907 119.300 0.216 0.000 2.472 205 C HA -0.151 nan 4.460 nan 0.000 0.278 205 C C 2.085 177.199 174.990 0.206 0.000 1.447 205 C CA 2.432 61.653 59.018 0.339 0.000 1.773 205 C CB -2.439 25.501 27.740 0.334 0.000 1.793 205 C HN -0.178 8.105 8.230 0.088 0.000 0.544 206 A N 1.197 124.054 122.820 0.062 0.000 1.935 206 A HA -0.135 nan 4.320 nan 0.000 0.214 206 A C 1.486 179.075 177.584 0.008 0.000 1.178 206 A CA 3.032 55.085 52.037 0.027 0.000 0.640 206 A CB -0.624 18.369 19.000 -0.012 0.000 0.825 206 A HN 0.678 8.686 8.150 -0.023 0.128 0.447 207 R N -0.489 120.007 120.500 -0.006 0.000 2.083 207 R HA -0.409 nan 4.340 nan 0.000 0.237 207 R C 2.022 178.198 176.300 -0.205 0.000 1.137 207 R CA 3.566 59.650 56.100 -0.027 0.000 0.951 207 R CB -0.131 30.238 30.300 0.115 0.000 0.851 207 R HN -0.171 8.067 8.270 -0.052 0.000 0.434 208 Y N 0.482 120.602 120.300 -0.301 0.000 2.053 208 Y HA -0.480 nan 4.550 nan 0.000 0.277 208 Y C 1.344 177.071 175.900 -0.289 0.000 1.159 208 Y CA 3.474 61.310 58.100 -0.439 0.000 1.125 208 Y CB -0.150 38.133 38.460 -0.295 0.000 0.969 208 Y HN 0.158 8.572 8.280 0.223 0.000 0.492 209 D N -2.388 117.948 120.400 -0.107 0.000 2.228 209 D HA -0.412 nan 4.640 nan 0.000 0.203 209 D C 2.726 178.920 176.300 -0.176 0.000 0.988 209 D CA 3.367 57.269 54.000 -0.162 0.000 0.864 209 D CB -0.877 39.911 40.800 -0.020 0.000 0.928 209 D HN 0.019 8.323 8.370 0.103 0.127 0.469 210 S N -0.038 115.590 115.700 -0.121 0.000 2.345 210 S HA -0.263 nan 4.470 nan 0.000 0.220 210 S C 2.579 177.128 174.600 -0.085 0.000 1.031 210 S CA 3.267 61.448 58.200 -0.032 0.000 0.996 210 S CB 0.025 63.277 63.200 0.088 0.000 0.882 210 S HN -0.201 8.027 8.310 -0.104 0.021 0.445 211 E N 1.770 121.838 120.200 -0.220 0.000 2.187 211 E HA -0.393 nan 4.350 nan 0.000 0.199 211 E C 2.418 178.854 176.600 -0.273 0.000 1.004 211 E CA 3.145 59.408 56.400 -0.227 0.000 0.813 211 E CB -0.564 28.878 29.700 -0.430 0.000 0.736 211 E HN -0.138 7.987 8.360 -0.295 0.058 0.468 212 R N -1.631 118.599 120.500 -0.450 0.000 2.070 212 R HA -0.277 nan 4.340 nan 0.000 0.233 212 R C 2.585 178.772 176.300 -0.187 0.000 1.137 212 R CA 3.177 59.060 56.100 -0.363 0.000 0.945 212 R CB -0.102 29.937 30.300 -0.435 0.000 0.845 212 R HN 0.245 8.161 8.270 -0.582 0.005 0.430 213 L N -1.502 119.628 121.223 -0.155 0.000 2.201 213 L HA -0.230 nan 4.340 nan 0.000 0.212 213 L C 2.702 179.528 176.870 -0.072 0.000 1.105 213 L CA 2.756 57.527 54.840 -0.116 0.000 0.775 213 L CB -0.616 41.359 42.059 -0.140 0.000 0.913 213 L HN -0.500 7.622 8.230 -0.179 0.000 0.440 214 S N 1.765 117.465 115.700 0.000 0.000 2.368 214 S HA -0.351 nan 4.470 nan 0.000 0.225 214 S C 1.710 176.323 174.600 0.022 0.000 1.030 214 S CA 4.436 62.690 58.200 0.091 0.000 0.999 214 S CB -0.542 62.751 63.200 0.156 0.000 0.844 214 S HN 0.496 8.667 8.310 -0.017 0.129 0.459 215 N N -1.475 117.220 118.700 -0.008 0.000 2.520 215 N HA -0.212 nan 4.740 nan 0.000 0.185 215 N C 0.188 175.675 175.510 -0.038 0.000 1.068 215 N CA 0.996 54.035 53.050 -0.019 0.000 0.911 215 N CB 0.231 38.706 38.487 -0.020 0.000 0.961 215 N HN -0.820 7.539 8.380 -0.019 0.009 0.446 216 G N -1.870 106.895 108.800 -0.059 0.000 2.212 216 G HA2 -0.307 nan 3.960 nan 0.000 0.255 216 G HA3 -0.307 nan 3.960 nan 0.000 0.255 216 G C -0.867 173.993 174.900 -0.066 0.000 1.062 216 G CA 0.275 45.332 45.100 -0.072 0.000 0.815 216 G HN -0.418 7.619 8.290 -0.061 0.216 0.497 217 L N -2.270 118.906 121.223 -0.077 0.000 2.299 217 L HA 0.410 nan 4.340 nan 0.000 0.268 217 L C -0.750 176.068 176.870 -0.088 0.000 1.012 217 L CA -2.102 52.692 54.840 -0.076 0.000 0.816 217 L CB 2.809 44.816 42.059 -0.086 0.000 1.355 217 L HN -0.037 8.140 8.230 -0.088 0.000 0.457 218 Q N -3.227 116.528 119.800 -0.074 0.000 2.260 218 Q HA 0.172 nan 4.340 nan 0.000 0.238 218 Q C -0.401 175.547 176.000 -0.086 0.000 0.948 218 Q CA -1.010 54.751 55.803 -0.069 0.000 0.895 218 Q CB 0.980 29.693 28.738 -0.042 0.000 1.218 218 Q HN 0.033 8.267 8.270 -0.059 0.000 0.470 219 R N -0.334 120.121 120.500 -0.075 0.000 2.740 219 R HA -0.258 nan 4.340 nan 0.000 0.263 219 R C -0.145 176.153 176.300 -0.004 0.000 0.997 219 R CA 1.227 57.292 56.100 -0.058 0.000 1.108 219 R CB 0.398 30.683 30.300 -0.025 0.000 0.969 219 R HN -0.101 8.296 8.270 -0.069 -0.169 0.431 220 M N 1.913 121.547 119.600 0.056 0.000 2.188 220 M HA -0.128 nan 4.480 nan 0.000 0.354 220 M C -0.370 176.014 176.300 0.141 0.000 1.342 220 M CA -1.006 54.383 55.300 0.149 0.000 1.117 220 M CB 0.794 33.599 32.600 0.342 0.000 1.670 220 M HN -0.009 8.678 8.290 0.064 -0.359 0.466 221 I N 7.096 127.738 120.570 0.121 0.000 2.598 221 I HA 0.061 nan 4.170 nan 0.000 0.284 221 I C -1.824 174.377 176.117 0.139 0.000 1.140 221 I CA -2.722 58.641 61.300 0.106 0.000 1.420 221 I CB 0.963 39.009 38.000 0.077 0.000 1.387 221 I HN 0.100 8.378 8.210 0.113 0.000 0.553 222 P HA 0.003 nan 4.420 nan 0.000 0.271 222 P C -1.157 176.211 177.300 0.114 0.000 1.218 222 P CA -0.867 62.325 63.100 0.154 0.000 0.780 222 P CB 0.726 32.527 31.700 0.167 0.000 0.901 223 F N 4.336 124.205 119.950 -0.136 0.000 2.661 223 F HA -0.034 nan 4.527 nan 0.000 0.356 223 F C -0.514 174.770 175.800 -0.860 0.000 1.244 223 F CA -1.199 56.571 58.000 -0.383 0.000 1.290 223 F CB -0.647 38.155 39.000 -0.329 0.000 1.677 223 F HN 0.158 8.492 8.300 0.177 0.072 0.649 224 H N 5.046 123.754 119.070 -0.604 0.000 2.436 224 H HA -0.143 nan 4.556 nan 0.000 0.294 224 H C -0.627 174.280 175.328 -0.701 0.000 1.048 224 H CA 1.457 57.189 56.048 -0.526 0.000 1.353 224 H CB 0.740 30.399 29.762 -0.171 0.000 1.414 224 H HN -0.066 8.034 8.280 -0.215 0.052 0.536 225 N N -2.427 115.816 118.700 -0.762 0.000 2.384 225 N HA -0.002 nan 4.740 nan 0.000 0.301 225 N C -0.441 174.412 175.510 -1.095 0.000 1.133 225 N CA -1.412 51.281 53.050 -0.596 0.000 0.853 225 N CB 1.641 39.973 38.487 -0.258 0.000 1.241 225 N HN -0.521 7.378 8.380 -0.802 0.000 0.502 226 F N -0.597 119.009 119.950 -0.572 0.000 2.530 226 F HA -0.036 nan 4.527 nan 0.000 0.292 226 F C 0.959 176.660 175.800 -0.166 0.000 1.109 226 F CA 1.857 59.623 58.000 -0.390 0.000 1.450 226 F CB 0.732 39.678 39.000 -0.090 0.000 1.114 226 F HN 0.423 8.759 8.300 0.060 0.000 0.560 227 D N -0.912 119.491 120.400 0.005 0.000 2.104 227 D HA -0.256 nan 4.640 nan 0.000 0.194 227 D C 0.782 177.095 176.300 0.021 0.000 0.994 227 D CA 2.686 56.697 54.000 0.018 0.000 0.830 227 D CB -0.297 40.499 40.800 -0.007 0.000 0.959 227 D HN -0.708 7.897 8.370 -0.013 -0.242 0.452 228 E N -0.348 119.814 120.200 -0.063 0.000 2.493 228 E HA 0.077 nan 4.350 nan 0.000 0.255 228 E C -1.338 175.336 176.600 0.124 0.000 0.999 228 E CA -1.126 55.265 56.400 -0.014 0.000 0.934 228 E CB -0.686 28.957 29.700 -0.095 0.000 0.940 228 E HN 0.014 8.272 8.360 -0.169 0.000 0.473 229 P HA -0.145 nan 4.420 nan 0.000 0.267 229 P C -1.572 175.840 177.300 0.187 0.000 1.195 229 P CA 0.672 63.865 63.100 0.156 0.000 0.773 229 P CB 0.356 32.103 31.700 0.078 0.000 0.837 230 L N 1.601 122.928 121.223 0.172 0.000 2.325 230 L HA 0.198 nan 4.340 nan 0.000 0.279 230 L C -0.148 176.763 176.870 0.069 0.000 1.054 230 L CA -0.691 54.226 54.840 0.128 0.000 0.804 230 L CB 1.074 43.194 42.059 0.102 0.000 1.200 230 L HN 0.327 8.563 8.230 0.187 0.106 0.436 231 E N 1.968 122.211 120.200 0.072 0.000 2.422 231 E HA -0.152 nan 4.350 nan 0.000 0.260 231 E C 0.345 176.989 176.600 0.072 0.000 1.108 231 E CA 0.632 57.070 56.400 0.063 0.000 0.943 231 E CB 0.782 30.532 29.700 0.083 0.000 0.961 231 E HN 0.275 8.686 8.360 0.085 0.000 0.443 232 G N -0.552 108.291 108.800 0.073 0.000 2.377 232 G HA2 0.382 nan 3.960 nan 0.000 0.299 232 G HA3 0.382 nan 3.960 nan 0.000 0.299 232 G C -1.761 173.265 174.900 0.210 0.000 1.150 232 G CA -0.419 44.736 45.100 0.092 0.000 0.847 232 G HN 0.016 8.346 8.290 0.067 0.000 0.501 233 Y N 3.940 124.255 120.300 0.024 0.000 2.474 233 Y HA 0.068 nan 4.550 nan 0.000 0.326 233 Y C -2.926 172.970 175.900 -0.008 0.000 1.160 233 Y CA 0.468 58.583 58.100 0.025 0.000 1.056 233 Y CB 4.252 42.733 38.460 0.035 0.000 1.330 233 Y HN 0.849 9.118 8.280 0.160 0.106 0.447 234 A N 5.773 128.155 122.820 -0.731 0.000 2.293 234 A HA 0.466 nan 4.320 nan 0.000 0.312 234 A C -1.838 175.114 177.584 -1.053 0.000 1.309 234 A CA -4.441 47.145 52.037 -0.750 0.000 0.839 234 A CB 0.557 19.165 19.000 -0.653 0.000 1.155 234 A HN 0.284 7.931 8.150 -0.837 0.000 0.501 235 P HA -0.183 nan 4.420 nan 0.000 0.220 235 P C -0.718 176.562 177.300 -0.033 0.000 1.148 235 P CA 1.131 64.053 63.100 -0.296 0.000 0.803 235 P CB 0.176 31.814 31.700 -0.103 0.000 0.782 236 H N -6.716 112.277 119.070 -0.128 0.000 2.880 236 H HA -0.290 nan 4.556 nan 0.000 0.304 236 H C -1.693 173.643 175.328 0.014 0.000 1.259 236 H CA 0.345 56.367 56.048 -0.043 0.000 1.153 236 H CB -1.878 27.865 29.762 -0.032 0.000 1.395 236 H HN 0.370 8.376 8.280 -0.386 0.042 0.420 237 L N -0.390 120.894 121.223 0.102 0.000 2.377 237 L HA 0.341 nan 4.340 nan 0.000 0.270 237 L C -1.130 175.875 176.870 0.224 0.000 0.991 237 L CA -0.869 54.056 54.840 0.141 0.000 0.851 237 L CB 1.642 43.728 42.059 0.044 0.000 1.218 237 L HN -0.296 7.969 8.230 0.059 0.000 0.420 238 T N -0.400 114.261 114.554 0.179 0.000 2.875 238 T HA 0.470 nan 4.350 nan 0.000 0.284 238 T C -0.095 174.708 174.700 0.172 0.000 0.995 238 T CA -2.412 59.781 62.100 0.155 0.000 1.060 238 T CB 1.153 70.080 68.868 0.099 0.000 0.967 238 T HN 0.130 8.463 8.240 0.156 0.000 0.476 239 S N 3.284 119.059 115.700 0.125 0.000 2.499 239 S HA 0.254 nan 4.470 nan 0.000 0.275 239 S C 1.659 176.334 174.600 0.124 0.000 1.257 239 S CA -1.217 57.062 58.200 0.131 0.000 1.050 239 S CB 0.767 63.966 63.200 -0.002 0.000 0.937 239 S HN 0.094 8.441 8.310 0.061 0.000 0.490 240 L N 1.697 123.027 121.223 0.177 0.000 2.450 240 L HA -0.076 nan 4.340 nan 0.000 0.224 240 L C 0.632 177.586 176.870 0.140 0.000 1.149 240 L CA 2.105 57.038 54.840 0.156 0.000 0.816 240 L CB -0.748 41.420 42.059 0.181 0.000 0.932 240 L HN 0.051 8.680 8.230 0.232 -0.260 0.449 241 V N -7.544 112.460 119.914 0.150 0.000 3.141 241 V HA -0.104 nan 4.120 nan 0.000 0.265 241 V C 0.403 176.534 176.094 0.062 0.000 1.126 241 V CA 0.316 62.689 62.300 0.121 0.000 1.141 241 V CB -0.997 30.895 31.823 0.115 0.000 0.743 241 V HN 0.243 8.468 8.190 0.158 0.060 0.492 242 S N -0.478 115.249 115.700 0.045 0.000 3.407 242 S HA 0.215 nan 4.470 nan 0.000 0.315 242 S C -0.722 173.890 174.600 0.021 0.000 1.211 242 S CA -0.111 58.102 58.200 0.022 0.000 1.148 242 S CB 1.315 64.520 63.200 0.008 0.000 1.511 242 S HN -0.595 7.687 8.310 0.056 0.061 0.604 243 G N -0.669 108.137 108.800 0.010 0.000 2.709 243 G HA2 0.210 nan 3.960 nan 0.000 0.208 243 G HA3 0.210 nan 3.960 nan 0.000 0.208 243 G C 0.107 175.012 174.900 0.009 0.000 1.129 243 G CA 0.138 45.245 45.100 0.012 0.000 0.793 243 G HN 0.115 8.408 8.290 0.004 0.000 0.524 244 L N 0.737 121.957 121.223 -0.006 0.000 2.425 244 L HA 0.054 nan 4.340 nan 0.000 0.225 244 L C -0.644 176.210 176.870 -0.027 0.000 1.222 244 L CA 0.595 55.423 54.840 -0.020 0.000 0.832 244 L CB 0.866 42.903 42.059 -0.037 0.000 1.238 244 L HN -0.718 7.508 8.230 -0.008 0.000 0.533 245 Q N -5.400 114.375 119.800 -0.042 0.000 2.534 245 Q HA 0.293 nan 4.340 nan 0.000 0.290 245 Q C -1.239 174.726 176.000 -0.058 0.000 0.991 245 Q CA -1.493 54.297 55.803 -0.021 0.000 0.783 245 Q CB 2.761 31.537 28.738 0.062 0.000 1.470 245 Q HN -0.206 8.037 8.270 -0.045 0.000 0.406 246 Y N 0.444 120.752 120.300 0.012 0.000 2.828 246 Y HA -0.307 nan 4.550 nan 0.000 0.359 246 Y C -0.126 175.772 175.900 -0.004 0.000 1.258 246 Y CA 1.381 59.488 58.100 0.012 0.000 1.652 246 Y CB -1.097 37.370 38.460 0.012 0.000 1.232 246 Y HN -0.287 8.161 8.280 0.279 0.000 0.513 247 A N 6.673 129.552 122.820 0.098 0.000 2.567 247 A HA -0.190 nan 4.320 nan 0.000 0.240 247 A C -1.399 176.230 177.584 0.074 0.000 1.053 247 A CA 0.689 52.759 52.037 0.056 0.000 0.755 247 A CB 0.499 19.520 19.000 0.035 0.000 0.978 247 A HN 0.167 8.351 8.150 0.057 0.000 0.507 248 S N -0.133 115.586 115.700 0.032 0.000 2.509 248 S HA 0.185 nan 4.470 nan 0.000 0.297 248 S C -0.741 173.896 174.600 0.062 0.000 1.118 248 S CA -1.448 56.765 58.200 0.022 0.000 1.074 248 S CB 2.101 65.249 63.200 -0.087 0.000 1.038 248 S HN -0.368 7.946 8.310 0.008 0.000 0.498 249 R N 3.486 124.053 120.500 0.112 0.000 2.216 249 R HA 0.426 nan 4.340 nan 0.000 0.332 249 R C -1.696 174.687 176.300 0.139 0.000 1.056 249 R CA -2.775 53.434 56.100 0.182 0.000 0.901 249 R CB 0.619 31.040 30.300 0.202 0.000 1.039 249 R HN 0.102 8.444 8.270 0.120 0.000 0.456 250 P HA -0.052 nan 4.420 nan 0.000 0.272 250 P C -1.122 176.034 177.300 -0.240 0.000 1.230 250 P CA -0.332 62.759 63.100 -0.014 0.000 0.788 250 P CB 0.373 32.084 31.700 0.018 0.000 0.949 251 E N 0.159 120.229 120.200 -0.216 0.000 2.435 251 E HA -0.261 nan 4.350 nan 0.000 0.254 251 E C 0.557 176.847 176.600 -0.518 0.000 1.289 251 E CA -0.128 56.122 56.400 -0.250 0.000 0.983 251 E CB -0.035 29.603 29.700 -0.102 0.000 1.010 251 E HN -0.126 8.160 8.360 -0.123 0.000 0.509 252 G N -1.338 107.282 108.800 -0.301 0.000 2.160 252 G HA2 -0.445 nan 3.960 nan 0.000 0.244 252 G HA3 -0.445 nan 3.960 nan 0.000 0.244 252 G C -1.379 173.379 174.900 -0.236 0.000 1.022 252 G CA 0.195 45.158 45.100 -0.228 0.000 0.741 252 G HN 0.024 8.217 8.290 -0.161 0.000 0.508 253 Y N -0.807 119.558 120.300 0.108 0.000 2.331 253 Y HA 0.015 nan 4.550 nan 0.000 0.338 253 Y C -1.026 174.971 175.900 0.163 0.000 0.976 253 Y CA -2.493 55.691 58.100 0.139 0.000 1.137 253 Y CB 1.462 40.002 38.460 0.134 0.000 1.172 253 Y HN -0.896 7.254 8.280 -0.173 0.026 0.478 254 S N 2.247 118.169 115.700 0.369 0.000 2.603 254 S HA 0.195 nan 4.470 nan 0.000 0.268 254 S C -0.962 173.814 174.600 0.294 0.000 1.317 254 S CA -0.692 57.658 58.200 0.250 0.000 1.012 254 S CB 0.978 64.242 63.200 0.107 0.000 0.926 254 S HN 0.525 9.078 8.310 0.406 0.000 0.539 255 I N 3.541 124.259 120.570 0.247 0.000 2.696 255 I HA -0.052 nan 4.170 nan 0.000 0.284 255 I C -1.586 174.616 176.117 0.142 0.000 1.129 255 I CA -0.242 61.220 61.300 0.270 0.000 1.410 255 I CB 0.940 39.169 38.000 0.382 0.000 1.399 255 I HN 0.050 8.400 8.210 0.232 0.000 0.579 256 H N 6.303 125.438 119.070 0.110 0.000 2.717 256 H HA 0.239 nan 4.556 nan 0.000 0.366 256 H C -1.422 173.936 175.328 0.051 0.000 1.132 256 H CA -1.128 54.961 56.048 0.069 0.000 1.180 256 H CB 3.245 33.038 29.762 0.051 0.000 1.678 256 H HN 0.352 8.804 8.280 0.286 0.000 0.537 257 D N 1.829 122.306 120.400 0.128 0.000 2.364 257 D HA 0.097 nan 4.640 nan 0.000 0.236 257 D C -0.865 175.481 176.300 0.076 0.000 1.221 257 D CA 1.115 55.147 54.000 0.053 0.000 0.891 257 D CB 0.547 41.350 40.800 0.005 0.000 1.190 257 D HN 0.098 8.526 8.370 0.097 0.000 0.449 258 L N -0.884 120.361 121.223 0.037 0.000 2.323 258 L HA 0.292 nan 4.340 nan 0.000 0.265 258 L C 0.467 177.366 176.870 0.047 0.000 1.012 258 L CA -1.061 53.821 54.840 0.070 0.000 0.820 258 L CB 2.351 44.469 42.059 0.097 0.000 1.334 258 L HN 0.248 8.469 8.230 -0.015 0.000 0.427 259 S N 0.839 116.593 115.700 0.091 0.000 2.465 259 S HA -0.281 nan 4.470 nan 0.000 0.241 259 S C 0.032 174.670 174.600 0.063 0.000 1.000 259 S CA 2.797 61.047 58.200 0.084 0.000 0.964 259 S CB -0.205 63.073 63.200 0.129 0.000 0.763 259 S HN 0.809 9.192 8.310 0.121 0.000 0.512 260 D N 0.811 121.238 120.400 0.046 0.000 2.429 260 D HA -0.002 nan 4.640 nan 0.000 0.242 260 D C -0.486 175.697 176.300 -0.195 0.000 1.076 260 D CA 0.727 54.695 54.000 -0.054 0.000 0.955 260 D CB 0.811 41.596 40.800 -0.026 0.000 1.076 260 D HN 0.055 8.449 8.370 0.094 0.032 0.448 261 V N 0.347 120.079 119.914 -0.303 0.000 2.628 261 V HA 0.188 nan 4.120 nan 0.000 0.306 261 V C -1.455 174.478 176.094 -0.268 0.000 1.045 261 V CA -1.311 60.746 62.300 -0.404 0.000 0.905 261 V CB 2.647 34.029 31.823 -0.735 0.000 0.997 261 V HN -0.455 7.604 8.190 -0.218 0.000 0.436 262 D N 3.452 123.681 120.400 -0.285 0.000 2.341 262 D HA 0.044 nan 4.640 nan 0.000 0.245 262 D C 0.996 177.123 176.300 -0.288 0.000 1.106 262 D CA -0.087 53.774 54.000 -0.233 0.000 0.905 262 D CB 0.872 41.546 40.800 -0.210 0.000 1.202 262 D HN -0.128 8.052 8.370 -0.315 0.000 0.426 263 V N 0.511 120.301 119.914 -0.206 0.000 2.568 263 V HA -0.423 nan 4.120 nan 0.000 0.253 263 V C 1.732 177.575 176.094 -0.419 0.000 1.072 263 V CA 3.989 66.150 62.300 -0.231 0.000 1.084 263 V CB -0.802 30.952 31.823 -0.115 0.000 0.676 263 V HN 0.139 8.555 8.190 -0.147 -0.315 0.469 264 Q N -0.622 118.959 119.800 -0.366 0.000 2.123 264 Q HA -0.324 nan 4.340 nan 0.000 0.199 264 Q C 1.821 177.524 176.000 -0.494 0.000 0.966 264 Q CA 3.511 59.078 55.803 -0.394 0.000 0.845 264 Q CB -0.542 28.029 28.738 -0.279 0.000 0.907 264 Q HN 0.055 8.175 8.270 -0.292 -0.025 0.439 265 D N 0.697 120.735 120.400 -0.603 0.000 2.269 265 D HA -0.173 nan 4.640 nan 0.000 0.208 265 D C 2.292 177.749 176.300 -1.405 0.000 0.963 265 D CA 3.139 56.585 54.000 -0.924 0.000 0.864 265 D CB -0.098 40.148 40.800 -0.924 0.000 0.936 265 D HN -0.309 7.825 8.370 -0.526 -0.079 0.505 266 M N -0.515 118.510 119.600 -0.958 0.000 2.065 266 M HA -0.344 nan 4.480 nan 0.000 0.259 266 M C 2.246 178.382 176.300 -0.272 0.000 1.069 266 M CA 3.278 58.330 55.300 -0.412 0.000 1.110 266 M CB -0.949 31.571 32.600 -0.133 0.000 1.328 266 M HN -0.417 7.400 8.290 -0.772 0.009 0.405 267 V N -0.488 119.101 119.914 -0.542 0.000 2.392 267 V HA -0.490 nan 4.120 nan 0.000 0.249 267 V C 2.393 178.340 176.094 -0.245 0.000 1.059 267 V CA 4.328 66.371 62.300 -0.429 0.000 1.051 267 V CB -1.187 30.333 31.823 -0.505 0.000 0.658 267 V HN -0.083 7.643 8.190 -0.661 0.066 0.455 268 R N -0.847 119.440 120.500 -0.355 0.000 2.070 268 R HA -0.335 nan 4.340 nan 0.000 0.233 268 R C 2.031 178.229 176.300 -0.171 0.000 1.137 268 R CA 3.762 59.686 56.100 -0.293 0.000 0.945 268 R CB -0.021 30.044 30.300 -0.391 0.000 0.845 268 R HN 0.158 7.920 8.270 -0.495 0.212 0.430 269 W N -1.892 119.311 121.300 -0.161 0.000 2.302 269 W HA -0.329 nan 4.660 nan 0.000 0.320 269 W C 2.307 178.783 176.519 -0.073 0.000 1.241 269 W CA 2.207 59.463 57.345 -0.148 0.000 1.264 269 W CB -1.039 28.397 29.460 -0.040 0.000 1.154 269 W HN 0.004 7.878 8.180 -0.510 0.000 0.483 270 R N -2.040 118.604 120.500 0.240 0.000 2.119 270 R HA -0.504 nan 4.340 nan 0.000 0.246 270 R C 2.156 178.487 176.300 0.052 0.000 1.146 270 R CA 3.703 59.893 56.100 0.150 0.000 0.962 270 R CB -0.251 30.196 30.300 0.246 0.000 0.863 270 R HN -0.392 8.050 8.270 0.286 0.000 0.442 271 E N -1.739 118.471 120.200 0.018 0.000 2.033 271 E HA -0.186 nan 4.350 nan 0.000 0.189 271 E C 2.530 179.120 176.600 -0.017 0.000 0.979 271 E CA 2.204 58.597 56.400 -0.010 0.000 0.802 271 E CB -0.748 28.935 29.700 -0.028 0.000 0.763 271 E HN -0.209 8.015 8.360 0.003 0.137 0.449 272 R N -0.729 119.738 120.500 -0.056 0.000 2.185 272 R HA -0.313 nan 4.340 nan 0.000 0.247 272 R C 3.123 179.466 176.300 0.071 0.000 1.159 272 R CA 3.064 59.104 56.100 -0.101 0.000 0.988 272 R CB -0.297 29.680 30.300 -0.537 0.000 0.871 272 R HN 0.061 8.283 8.270 -0.080 0.000 0.458 273 I N -1.252 119.378 120.570 0.101 0.000 2.296 273 I HA -0.340 nan 4.170 nan 0.000 0.242 273 I C 1.210 177.299 176.117 -0.047 0.000 1.087 273 I CA 3.628 64.990 61.300 0.104 0.000 1.393 273 I CB 0.080 38.089 38.000 0.015 0.000 1.093 273 I HN 0.070 8.179 8.210 0.056 0.134 0.421 274 L N -0.950 120.232 121.223 -0.068 0.000 2.156 274 L HA -0.385 nan 4.340 nan 0.000 0.208 274 L C 2.000 178.803 176.870 -0.112 0.000 1.095 274 L CA 2.723 57.495 54.840 -0.114 0.000 0.770 274 L CB -0.932 41.073 42.059 -0.091 0.000 0.914 274 L HN -0.466 7.645 8.230 -0.034 0.098 0.439 275 D N 0.241 120.600 120.400 -0.069 0.000 2.126 275 D HA -0.395 nan 4.640 nan 0.000 0.190 275 D C 1.759 177.978 176.300 -0.136 0.000 1.001 275 D CA 4.419 58.378 54.000 -0.068 0.000 0.841 275 D CB -0.138 40.652 40.800 -0.016 0.000 0.949 275 D HN 0.172 8.517 8.370 -0.042 0.000 0.446 276 A N -1.939 120.801 122.820 -0.133 0.000 2.067 276 A HA -0.140 nan 4.320 nan 0.000 0.219 276 A C 2.219 179.594 177.584 -0.349 0.000 1.158 276 A CA 2.563 54.447 52.037 -0.255 0.000 0.661 276 A CB -0.683 18.268 19.000 -0.082 0.000 0.801 276 A HN -0.729 7.301 8.150 -0.049 0.091 0.452 277 I N -1.709 118.656 120.570 -0.342 0.000 2.142 277 I HA -0.571 nan 4.170 nan 0.000 0.240 277 I C 2.019 177.771 176.117 -0.608 0.000 1.078 277 I CA 3.995 65.016 61.300 -0.464 0.000 1.343 277 I CB -0.404 37.379 38.000 -0.363 0.000 1.046 277 I HN 0.076 8.051 8.210 -0.266 0.076 0.405 278 N N -0.827 117.662 118.700 -0.351 0.000 2.104 278 N HA -0.240 nan 4.740 nan 0.000 0.190 278 N C 2.268 177.730 175.510 -0.079 0.000 1.024 278 N CA 2.902 55.831 53.050 -0.201 0.000 0.853 278 N CB -0.083 38.353 38.487 -0.084 0.000 1.008 278 N HN -0.405 7.820 8.380 -0.259 0.000 0.424 279 M N -2.065 117.439 119.600 -0.160 0.000 2.476 279 M HA -0.190 nan 4.480 nan 0.000 0.262 279 M C -0.777 175.529 176.300 0.010 0.000 1.079 279 M CA 2.441 57.673 55.300 -0.113 0.000 1.104 279 M CB 0.135 32.457 32.600 -0.463 0.000 1.409 279 M HN 0.201 8.347 8.290 -0.239 0.000 0.467 280 H N -7.400 111.602 119.070 -0.112 0.000 2.936 280 H HA -0.349 nan 4.556 nan 0.000 0.276 280 H C -1.380 174.015 175.328 0.113 0.000 1.216 280 H CA 1.083 57.151 56.048 0.034 0.000 1.132 280 H CB -3.007 26.840 29.762 0.142 0.000 1.303 280 H HN -0.648 7.112 8.280 -0.439 0.256 0.370 281 Y N -6.618 113.723 120.300 0.068 0.000 2.670 281 Y HA 0.848 nan 4.550 nan 0.000 0.334 281 Y C -2.530 173.395 175.900 0.042 0.000 1.185 281 Y CA -2.270 55.868 58.100 0.063 0.000 1.053 281 Y CB 3.164 41.673 38.460 0.082 0.000 1.298 281 Y HN -0.451 7.590 8.280 -0.398 0.000 0.459 282 I N -4.174 116.603 120.570 0.345 0.000 2.647 282 I HA 0.542 nan 4.170 nan 0.000 0.295 282 I C -1.498 174.811 176.117 0.320 0.000 1.078 282 I CA -1.722 59.750 61.300 0.287 0.000 1.048 282 I CB 3.831 41.860 38.000 0.049 0.000 1.239 282 I HN 0.154 8.569 8.210 0.341 0.000 0.421 283 V N -1.776 118.346 119.914 0.348 0.000 2.348 283 V HA 0.424 nan 4.120 nan 0.000 0.270 283 V C -0.136 176.075 176.094 0.196 0.000 1.037 283 V CA -2.483 59.929 62.300 0.187 0.000 0.872 283 V CB -0.856 30.991 31.823 0.040 0.000 1.002 283 V HN -0.211 8.270 8.190 0.485 0.000 0.464 284 D N 7.816 128.292 120.400 0.126 0.000 2.384 284 D HA 0.168 nan 4.640 nan 0.000 0.244 284 D C 1.342 177.686 176.300 0.074 0.000 1.251 284 D CA -0.891 53.176 54.000 0.111 0.000 0.961 284 D CB 0.937 41.779 40.800 0.071 0.000 1.116 284 D HN -0.455 7.974 8.370 0.099 0.000 0.484 285 K N -0.257 120.184 120.400 0.069 0.000 2.589 285 K HA -0.289 nan 4.320 nan 0.000 0.195 285 K C 0.090 176.703 176.600 0.022 0.000 1.040 285 K CA 2.348 58.662 56.287 0.044 0.000 0.950 285 K CB -0.715 31.813 32.500 0.047 0.000 0.781 285 K HN 0.517 8.816 8.250 0.081 0.000 0.486 286 D N -5.459 114.951 120.400 0.017 0.000 2.379 286 D HA -0.009 nan 4.640 nan 0.000 0.208 286 D C -0.151 176.144 176.300 -0.008 0.000 1.065 286 D CA -0.665 53.338 54.000 0.004 0.000 0.848 286 D CB -0.329 40.473 40.800 0.005 0.000 0.949 286 D HN -0.536 7.774 8.370 0.025 0.075 0.509 287 N N -3.571 115.121 118.700 -0.012 0.000 2.994 287 N HA -0.414 nan 4.740 nan 0.000 0.221 287 N C -1.157 174.336 175.510 -0.028 0.000 0.900 287 N CA 1.518 54.548 53.050 -0.032 0.000 1.008 287 N CB -1.579 36.882 38.487 -0.043 0.000 1.053 287 N HN 0.435 8.699 8.380 -0.000 0.116 0.580 288 N N 1.905 120.596 118.700 -0.015 0.000 2.488 288 N HA 0.040 nan 4.740 nan 0.000 0.274 288 N C -0.946 174.553 175.510 -0.019 0.000 1.111 288 N CA 0.439 53.473 53.050 -0.027 0.000 0.974 288 N CB 1.052 39.527 38.487 -0.020 0.000 1.089 288 N HN -0.457 8.184 8.380 -0.003 -0.262 0.465 289 K N 2.569 122.924 120.400 -0.075 0.000 2.292 289 K HA 0.202 nan 4.320 nan 0.000 0.290 289 K C -0.249 176.337 176.600 -0.024 0.000 1.083 289 K CA -0.259 55.970 56.287 -0.096 0.000 0.918 289 K CB -0.523 31.728 32.500 -0.415 0.000 1.089 289 K HN 0.161 8.349 8.250 -0.104 0.000 0.473 290 I N 0.841 121.446 120.570 0.057 0.000 2.488 290 I HA 0.549 nan 4.170 nan 0.000 0.299 290 I C -2.043 174.147 176.117 0.121 0.000 0.984 290 I CA -3.338 58.000 61.300 0.063 0.000 1.250 290 I CB 0.996 39.025 38.000 0.047 0.000 1.389 290 I HN 0.294 8.557 8.210 0.088 0.000 0.488 291 P HA 0.100 nan 4.420 nan 0.000 0.271 291 P C -0.718 176.709 177.300 0.213 0.000 1.216 291 P CA -0.186 63.025 63.100 0.185 0.000 0.771 291 P CB 0.121 31.914 31.700 0.155 0.000 0.864 292 L N 5.600 126.976 121.223 0.256 0.000 2.391 292 L HA -0.052 nan 4.340 nan 0.000 0.249 292 L C -0.553 176.599 176.870 0.470 0.000 1.308 292 L CA -0.835 54.190 54.840 0.309 0.000 1.209 292 L CB -1.351 40.786 42.059 0.130 0.000 1.401 292 L HN 0.271 8.583 8.230 0.286 0.090 0.416 293 D N 3.113 123.719 120.400 0.343 0.000 2.354 293 D HA -0.097 nan 4.640 nan 0.000 0.238 293 D C 1.011 177.373 176.300 0.102 0.000 1.250 293 D CA 0.127 54.264 54.000 0.229 0.000 0.911 293 D CB 2.132 43.068 40.800 0.227 0.000 1.163 293 D HN -0.346 8.135 8.370 0.298 0.069 0.456 294 I N -0.050 120.366 120.570 -0.257 0.000 2.090 294 I HA -0.478 nan 4.170 nan 0.000 0.236 294 I C 1.611 177.381 176.117 -0.580 0.000 1.064 294 I CA 3.559 64.310 61.300 -0.916 0.000 1.324 294 I CB 0.148 37.718 38.000 -0.717 0.000 1.044 294 I HN 0.122 8.241 8.210 -0.151 0.000 0.399 295 E N -1.936 118.036 120.200 -0.380 0.000 2.001 295 E HA -0.358 nan 4.350 nan 0.000 0.193 295 E C 2.914 179.355 176.600 -0.266 0.000 0.994 295 E CA 2.898 59.068 56.400 -0.384 0.000 0.815 295 E CB -0.086 29.236 29.700 -0.630 0.000 0.770 295 E HN -0.612 7.669 8.360 -0.331 -0.120 0.453 296 H N -1.090 118.002 119.070 0.037 0.000 2.421 296 H HA -0.184 nan 4.556 nan 0.000 0.298 296 H C 2.560 177.976 175.328 0.147 0.000 1.087 296 H CA 2.701 58.797 56.048 0.079 0.000 1.330 296 H CB -0.352 29.450 29.762 0.067 0.000 1.388 296 H HN 0.082 8.453 8.280 -0.449 -0.361 0.526 297 G N -1.649 107.341 108.800 0.316 0.000 2.550 297 G HA2 -0.469 nan 3.960 nan 0.000 0.222 297 G HA3 -0.469 nan 3.960 nan 0.000 0.222 297 G C 0.773 175.913 174.900 0.400 0.000 1.113 297 G CA 2.492 47.871 45.100 0.466 0.000 0.748 297 G HN -0.211 8.201 8.290 0.262 0.036 0.585 298 T N 2.201 116.953 114.554 0.330 0.000 3.035 298 T HA -0.078 nan 4.350 nan 0.000 0.259 298 T C 1.764 176.606 174.700 0.237 0.000 1.078 298 T CA 3.767 66.038 62.100 0.285 0.000 1.132 298 T CB -0.302 68.676 68.868 0.183 0.000 0.900 298 T HN -0.714 7.628 8.240 0.259 0.054 0.480 299 D N 2.846 123.359 120.400 0.188 0.000 2.123 299 D HA -0.090 nan 4.640 nan 0.000 0.200 299 D C 1.304 177.700 176.300 0.160 0.000 0.976 299 D CA 2.920 57.018 54.000 0.163 0.000 0.831 299 D CB 0.009 40.890 40.800 0.136 0.000 0.974 299 D HN -0.112 8.367 8.370 0.181 0.000 0.469 300 I N -4.054 116.606 120.570 0.151 0.000 2.928 300 I HA -0.054 nan 4.170 nan 0.000 0.266 300 I C 1.616 177.753 176.117 0.033 0.000 1.234 300 I CA 2.677 64.030 61.300 0.090 0.000 1.483 300 I CB -0.016 38.033 38.000 0.082 0.000 1.097 300 I HN -0.398 7.920 8.210 0.179 0.000 0.455 301 L N 0.858 122.129 121.223 0.079 0.000 2.162 301 L HA 0.003 nan 4.340 nan 0.000 0.205 301 L C 1.369 178.336 176.870 0.163 0.000 1.086 301 L CA 2.111 56.951 54.840 0.001 0.000 0.778 301 L CB -0.064 41.983 42.059 -0.021 0.000 0.928 301 L HN 0.217 8.442 8.230 0.158 0.100 0.446 302 G N -1.594 107.459 108.800 0.423 0.000 2.402 302 G HA2 -0.416 nan 3.960 nan 0.000 0.216 302 G HA3 -0.416 nan 3.960 nan 0.000 0.216 302 G C 0.744 175.810 174.900 0.277 0.000 1.162 302 G CA 2.493 47.962 45.100 0.614 0.000 0.777 302 G HN -0.057 8.356 8.290 0.377 0.103 0.539 303 D N 0.874 121.350 120.400 0.127 0.000 2.097 303 D HA -0.324 nan 4.640 nan 0.000 0.195 303 D C 2.133 178.422 176.300 -0.018 0.000 0.989 303 D CA 2.818 56.827 54.000 0.014 0.000 0.827 303 D CB -0.719 40.102 40.800 0.034 0.000 0.966 303 D HN 0.167 8.628 8.370 0.152 0.000 0.456 304 I N -0.524 120.039 120.570 -0.012 0.000 2.127 304 I HA -0.466 nan 4.170 nan 0.000 0.241 304 I C 2.102 178.202 176.117 -0.028 0.000 1.075 304 I CA 3.135 64.406 61.300 -0.049 0.000 1.334 304 I CB 0.206 38.090 38.000 -0.194 0.000 1.040 304 I HN -0.894 7.315 8.210 -0.001 0.000 0.405 305 I N -1.718 118.845 120.570 -0.012 0.000 2.394 305 I HA -0.454 nan 4.170 nan 0.000 0.251 305 I C 1.370 177.562 176.117 0.124 0.000 1.136 305 I CA 2.226 63.551 61.300 0.042 0.000 1.425 305 I CB -0.769 37.211 38.000 -0.033 0.000 1.079 305 I HN -0.013 8.189 8.210 -0.014 0.000 0.425 306 E N 0.083 120.285 120.200 0.003 0.000 2.023 306 E HA -0.295 nan 4.350 nan 0.000 0.196 306 E C -0.124 176.501 176.600 0.040 0.000 1.003 306 E CA 3.580 59.896 56.400 -0.140 0.000 0.809 306 E CB 0.098 29.379 29.700 -0.699 0.000 0.755 306 E HN -0.429 7.880 8.360 -0.046 0.024 0.449 307 S N -4.589 111.095 115.700 -0.025 0.000 2.687 307 S HA 0.317 nan 4.470 nan 0.000 0.283 307 S C -0.512 174.053 174.600 -0.059 0.000 1.170 307 S CA -0.764 57.409 58.200 -0.046 0.000 1.008 307 S CB 1.814 64.999 63.200 -0.025 0.000 1.026 307 S HN -0.516 7.769 8.310 -0.041 0.000 0.541 308 S N 0.583 116.256 115.700 -0.045 0.000 2.738 308 S HA 0.212 nan 4.470 nan 0.000 0.284 308 S C 1.417 176.022 174.600 0.009 0.000 1.146 308 S CA -0.413 57.778 58.200 -0.015 0.000 0.997 308 S CB 1.405 64.604 63.200 -0.001 0.000 1.081 308 S HN 0.390 8.582 8.310 -0.039 0.094 0.553 309 D N 3.406 123.816 120.400 0.017 0.000 2.149 309 D HA -0.208 nan 4.640 nan 0.000 0.198 309 D C 1.028 177.341 176.300 0.021 0.000 0.990 309 D CA 3.146 57.154 54.000 0.013 0.000 0.839 309 D CB -0.079 40.714 40.800 -0.013 0.000 0.948 309 D HN 0.553 8.935 8.370 0.019 0.000 0.460 310 E N -1.670 118.550 120.200 0.034 0.000 2.510 310 E HA -0.171 nan 4.350 nan 0.000 0.202 310 E C -0.507 176.114 176.600 0.036 0.000 1.072 310 E CA 0.815 57.239 56.400 0.040 0.000 0.883 310 E CB -0.415 29.320 29.700 0.059 0.000 0.818 310 E HN 0.218 8.605 8.360 0.044 0.000 0.548 311 S N -0.237 115.482 115.700 0.031 0.000 2.429 311 S HA -0.097 nan 4.470 nan 0.000 0.292 311 S C 0.279 174.920 174.600 0.068 0.000 1.183 311 S CA 0.149 58.373 58.200 0.040 0.000 1.088 311 S CB -0.022 63.200 63.200 0.036 0.000 1.018 311 S HN -0.629 7.485 8.310 0.026 0.212 0.511 312 K N 4.450 124.893 120.400 0.071 0.000 2.113 312 K HA -0.265 nan 4.320 nan 0.000 0.208 312 K C -0.530 176.161 176.600 0.151 0.000 1.047 312 K CA 2.377 58.719 56.287 0.092 0.000 0.928 312 K CB 0.177 32.724 32.500 0.077 0.000 0.716 312 K HN -0.060 8.218 8.250 0.047 0.000 0.446 313 N N -4.696 114.159 118.700 0.257 0.000 2.249 313 N HA 0.207 nan 4.740 nan 0.000 0.296 313 N C -0.151 175.505 175.510 0.243 0.000 1.051 313 N CA -1.294 51.920 53.050 0.274 0.000 0.815 313 N CB 2.504 41.189 38.487 0.330 0.000 1.487 313 N HN -0.471 8.082 8.380 0.290 0.000 0.475 314 V N -0.714 119.273 119.914 0.121 0.000 2.690 314 V HA 0.277 nan 4.120 nan 0.000 0.240 314 V C 1.173 177.260 176.094 -0.012 0.000 1.078 314 V CA 2.003 64.332 62.300 0.047 0.000 1.102 314 V CB 0.358 32.211 31.823 0.050 0.000 0.800 314 V HN 0.500 8.758 8.190 0.113 0.000 0.479 315 E N 1.560 121.790 120.200 0.050 0.000 2.107 315 E HA -0.362 nan 4.350 nan 0.000 0.191 315 E C 1.713 178.379 176.600 0.110 0.000 0.982 315 E CA 2.806 59.260 56.400 0.090 0.000 0.809 315 E CB -0.342 29.430 29.700 0.120 0.000 0.756 315 E HN -0.282 8.265 8.360 0.079 -0.140 0.459 316 Y N 0.758 120.999 120.300 -0.099 0.000 2.206 316 Y HA -0.315 nan 4.550 nan 0.000 0.292 316 Y C 2.108 177.779 175.900 -0.381 0.000 1.123 316 Y CA 4.414 62.368 58.100 -0.244 0.000 1.142 316 Y CB 0.670 38.868 38.460 -0.436 0.000 1.006 316 Y HN -0.329 8.280 8.280 0.115 -0.261 0.518 317 Y N -3.942 116.278 120.300 -0.133 0.000 2.462 317 Y HA -0.035 nan 4.550 nan 0.000 0.261 317 Y C -0.141 175.355 175.900 -0.674 0.000 1.146 317 Y CA 0.626 58.569 58.100 -0.261 0.000 1.283 317 Y CB 0.259 38.655 38.460 -0.106 0.000 1.090 317 Y HN -0.323 7.873 8.280 -0.139 0.000 0.526 318 G N -1.195 106.986 108.800 -1.031 0.000 2.553 318 G HA2 -0.379 nan 3.960 nan 0.000 0.242 318 G HA3 -0.379 nan 3.960 nan 0.000 0.242 318 G C -2.128 172.434 174.900 -0.563 0.000 1.277 318 G CA 0.003 44.075 45.100 -1.713 0.000 0.910 318 G HN -0.286 7.542 8.290 -0.611 0.096 0.576 319 S N 0.088 115.619 115.700 -0.281 0.000 2.327 319 S HA 0.223 nan 4.470 nan 0.000 0.203 319 S C 0.343 175.062 174.600 0.199 0.000 1.326 319 S CA -0.696 57.508 58.200 0.007 0.000 1.248 319 S CB 0.491 63.624 63.200 -0.111 0.000 1.199 319 S HN 0.153 8.259 8.310 -0.341 0.000 0.422 320 L N 6.362 127.728 121.223 0.239 0.000 2.081 320 L HA -0.410 nan 4.340 nan 0.000 0.212 320 L C 0.349 177.600 176.870 0.635 0.000 1.080 320 L CA 3.377 58.536 54.840 0.532 0.000 0.754 320 L CB -0.364 41.990 42.059 0.491 0.000 0.893 320 L HN -0.080 8.226 8.230 0.127 0.000 0.433 321 H N -0.389 118.940 119.070 0.431 0.000 2.253 321 H HA -0.438 nan 4.556 nan 0.000 0.296 321 H C 2.048 177.460 175.328 0.141 0.000 1.074 321 H CA 4.524 60.855 56.048 0.471 0.000 1.263 321 H CB -0.209 29.787 29.762 0.390 0.000 1.363 321 H HN 0.004 8.545 8.280 0.465 0.018 0.489 322 N N -0.253 118.181 118.700 -0.443 0.000 2.084 322 N HA -0.339 nan 4.740 nan 0.000 0.190 322 N C 2.176 177.268 175.510 -0.697 0.000 1.030 322 N CA 2.668 55.219 53.050 -0.831 0.000 0.849 322 N CB -0.639 37.582 38.487 -0.443 0.000 1.012 322 N HN -0.409 7.964 8.380 -0.012 0.000 0.423 323 W N -0.915 120.270 121.300 -0.191 0.000 2.335 323 W HA -0.303 nan 4.660 nan 0.000 0.311 323 W C 1.892 178.283 176.519 -0.212 0.000 1.213 323 W CA 3.041 60.350 57.345 -0.060 0.000 1.274 323 W CB -0.093 29.493 29.460 0.211 0.000 1.148 323 W HN 0.348 8.485 8.180 -0.071 0.000 0.498 324 G N -3.363 105.315 108.800 -0.203 0.000 2.469 324 G HA2 -0.461 nan 3.960 nan 0.000 0.220 324 G HA3 -0.461 nan 3.960 nan 0.000 0.220 324 G C 1.141 175.497 174.900 -0.907 0.000 1.136 324 G CA 2.160 46.688 45.100 -0.952 0.000 0.759 324 G HN 0.195 8.498 8.290 0.022 0.000 0.562 325 H N 1.594 120.100 119.070 -0.940 0.000 2.353 325 H HA -0.296 nan 4.556 nan 0.000 0.300 325 H C 2.395 177.495 175.328 -0.379 0.000 1.090 325 H CA 3.602 59.197 56.048 -0.755 0.000 1.327 325 H CB 0.245 29.273 29.762 -1.224 0.000 1.383 325 H HN -0.528 7.190 8.280 -0.719 0.130 0.508 326 V N -1.443 118.407 119.914 -0.108 0.000 2.220 326 V HA -0.489 nan 4.120 nan 0.000 0.246 326 V C 2.056 178.183 176.094 0.055 0.000 1.049 326 V CA 3.806 66.169 62.300 0.105 0.000 1.003 326 V CB -0.861 31.103 31.823 0.235 0.000 0.634 326 V HN -0.408 7.569 8.190 -0.205 0.090 0.444 327 M N -2.599 117.028 119.600 0.044 0.000 2.144 327 M HA -0.417 nan 4.480 nan 0.000 0.260 327 M C 2.201 178.486 176.300 -0.025 0.000 1.067 327 M CA 3.507 58.832 55.300 0.041 0.000 1.095 327 M CB -0.278 32.370 32.600 0.081 0.000 1.365 327 M HN -0.767 7.571 8.290 0.082 0.000 0.406 328 M N -3.136 116.364 119.600 -0.166 0.000 2.562 328 M HA -0.112 nan 4.480 nan 0.000 0.257 328 M C 0.719 176.971 176.300 -0.079 0.000 1.099 328 M CA 2.383 57.568 55.300 -0.193 0.000 1.099 328 M CB 0.320 32.679 32.600 -0.401 0.000 1.427 328 M HN -0.053 8.080 8.290 -0.262 0.000 0.489 329 A N -1.568 121.234 122.820 -0.030 0.000 2.055 329 A HA 0.119 nan 4.320 nan 0.000 0.205 329 A C 0.220 177.843 177.584 0.065 0.000 1.235 329 A CA 1.889 53.949 52.037 0.039 0.000 0.822 329 A CB 0.835 19.884 19.000 0.082 0.000 0.903 329 A HN 0.113 8.060 8.150 -0.033 0.183 0.473 330 N N -1.307 117.426 118.700 0.055 0.000 2.346 330 N HA -0.060 nan 4.740 nan 0.000 0.225 330 N C 1.406 176.945 175.510 0.048 0.000 1.144 330 N CA -0.390 52.692 53.050 0.054 0.000 0.837 330 N CB -0.960 37.550 38.487 0.039 0.000 1.069 330 N HN 0.285 8.695 8.380 0.051 0.000 0.487 331 I N -1.468 119.133 120.570 0.053 0.000 2.850 331 I HA -0.238 nan 4.170 nan 0.000 0.266 331 I C 0.264 176.348 176.117 -0.056 0.000 1.257 331 I CA 1.688 63.020 61.300 0.054 0.000 1.465 331 I CB -0.138 37.934 38.000 0.120 0.000 1.091 331 I HN -0.174 7.946 8.210 0.058 0.126 0.467 332 T N -0.498 114.033 114.554 -0.037 0.000 3.009 332 T HA -0.065 nan 4.350 nan 0.000 0.258 332 T C -0.938 173.718 174.700 -0.073 0.000 1.063 332 T CA 1.074 63.114 62.100 -0.100 0.000 1.139 332 T CB 0.754 69.615 68.868 -0.011 0.000 0.890 332 T HN 0.018 8.220 8.240 0.024 0.052 0.471 333 D N -1.329 119.079 120.400 0.014 0.000 3.117 333 D HA 0.435 nan 4.640 nan 0.000 0.241 333 D C -2.002 174.380 176.300 0.135 0.000 1.385 333 D CA -1.577 52.500 54.000 0.129 0.000 0.855 333 D CB 0.876 41.849 40.800 0.287 0.000 1.498 333 D HN -0.312 7.878 8.370 0.001 0.181 0.584 334 P HA -0.139 nan 4.420 nan 0.000 0.215 334 P C 0.839 178.207 177.300 0.113 0.000 1.157 334 P CA 1.817 64.969 63.100 0.088 0.000 0.856 334 P CB 0.133 31.883 31.700 0.082 0.000 0.786 335 D N -2.080 118.364 120.400 0.073 0.000 2.190 335 D HA -0.259 nan 4.640 nan 0.000 0.200 335 D C 0.539 176.891 176.300 0.087 0.000 0.992 335 D CA 2.012 56.040 54.000 0.048 0.000 0.854 335 D CB -0.157 40.629 40.800 -0.024 0.000 0.936 335 D HN 0.169 8.562 8.370 0.038 0.000 0.462 336 H N -4.152 114.902 119.070 -0.028 0.000 3.415 336 H HA -0.334 nan 4.556 nan 0.000 0.213 336 H C 0.467 175.764 175.328 -0.051 0.000 1.091 336 H CA 1.013 57.055 56.048 -0.009 0.000 1.182 336 H CB -1.144 28.620 29.762 0.004 0.000 1.160 336 H HN -0.319 8.218 8.280 0.132 -0.178 0.319 337 R N -1.531 118.833 120.500 -0.227 0.000 2.153 337 R HA -0.345 nan 4.340 nan 0.000 0.252 337 R C 0.464 176.543 176.300 -0.368 0.000 1.158 337 R CA 2.829 58.722 56.100 -0.345 0.000 0.975 337 R CB -1.096 28.914 30.300 -0.482 0.000 0.871 337 R HN -0.270 7.933 8.270 -0.160 -0.029 0.450 338 F N -4.355 115.478 119.950 -0.196 0.000 2.335 338 F HA 0.001 nan 4.527 nan 0.000 0.296 338 F C -0.472 175.192 175.800 -0.226 0.000 1.091 338 F CA -0.138 57.761 58.000 -0.168 0.000 1.399 338 F CB 0.238 39.172 39.000 -0.109 0.000 1.067 338 F HN -0.384 8.019 8.300 -0.237 -0.245 0.520 339 Q N -4.723 114.905 119.800 -0.287 0.000 2.493 339 Q HA -0.315 nan 4.340 nan 0.000 0.260 339 Q C -0.709 175.279 176.000 -0.020 0.000 0.905 339 Q CA 0.593 56.185 55.803 -0.352 0.000 1.140 339 Q CB -2.051 26.582 28.738 -0.175 0.000 1.435 339 Q HN 0.044 8.110 8.270 -0.524 -0.110 0.581 340 E N -0.523 119.725 120.200 0.079 0.000 2.415 340 E HA -0.136 nan 4.350 nan 0.000 0.263 340 E C -0.847 175.844 176.600 0.152 0.000 0.995 340 E CA 0.392 56.850 56.400 0.096 0.000 0.915 340 E CB 0.610 30.353 29.700 0.072 0.000 0.951 340 E HN -0.381 7.992 8.360 0.088 0.040 0.449 341 N N 5.377 124.103 118.700 0.044 0.000 2.434 341 N HA 0.130 nan 4.740 nan 0.000 0.268 341 N C -2.007 173.512 175.510 0.015 0.000 1.256 341 N CA -1.543 51.489 53.050 -0.030 0.000 0.914 341 N CB -0.495 37.867 38.487 -0.207 0.000 1.088 341 N HN 0.171 8.556 8.380 0.007 0.000 0.478 342 P HA -0.073 nan 4.420 nan 0.000 0.271 342 P C -0.419 177.006 177.300 0.210 0.000 1.238 342 P CA -0.012 63.152 63.100 0.106 0.000 0.794 342 P CB 0.658 32.398 31.700 0.066 0.000 0.959 343 G N -1.048 107.858 108.800 0.176 0.000 2.432 343 G HA2 -0.095 nan 3.960 nan 0.000 0.239 343 G HA3 -0.095 nan 3.960 nan 0.000 0.239 343 G C 1.065 176.078 174.900 0.189 0.000 1.291 343 G CA -0.685 44.525 45.100 0.183 0.000 0.863 343 G HN 0.062 8.430 8.290 0.131 0.000 0.560 344 V N -1.591 118.389 119.914 0.111 0.000 3.099 344 V HA -0.461 nan 4.120 nan 0.000 0.269 344 V C 1.137 177.254 176.094 0.039 0.000 1.150 344 V CA 2.001 64.282 62.300 -0.032 0.000 1.165 344 V CB -0.785 30.915 31.823 -0.206 0.000 0.756 344 V HN 0.564 8.815 8.190 0.102 0.000 0.527 345 M N 0.028 119.691 119.600 0.105 0.000 2.562 345 M HA -0.160 nan 4.480 nan 0.000 0.257 345 M C 1.544 178.101 176.300 0.428 0.000 1.099 345 M CA 1.116 56.537 55.300 0.200 0.000 1.099 345 M CB -1.013 31.606 32.600 0.032 0.000 1.427 345 M HN -0.275 7.974 8.290 0.097 0.100 0.489 346 S N -0.127 115.770 115.700 0.329 0.000 2.481 346 S HA -0.219 nan 4.470 nan 0.000 0.231 346 S C -0.813 173.885 174.600 0.164 0.000 0.996 346 S CA 3.087 61.485 58.200 0.331 0.000 0.942 346 S CB -0.056 63.228 63.200 0.140 0.000 0.768 346 S HN -0.324 8.068 8.310 0.235 0.059 0.520 347 D N -2.399 118.141 120.400 0.232 0.000 2.490 347 D HA 0.174 nan 4.640 nan 0.000 0.232 347 D C -0.308 176.191 176.300 0.331 0.000 1.053 347 D CA -0.962 53.165 54.000 0.211 0.000 0.914 347 D CB 2.596 43.530 40.800 0.224 0.000 1.431 347 D HN -0.980 7.489 8.370 0.263 0.059 0.483 348 T N 0.854 115.661 114.554 0.422 0.000 3.035 348 T HA 0.065 nan 4.350 nan 0.000 0.259 348 T C 1.697 176.713 174.700 0.526 0.000 1.078 348 T CA 2.268 64.715 62.100 0.579 0.000 1.132 348 T CB -0.448 68.741 68.868 0.535 0.000 0.900 348 T HN 0.502 9.002 8.240 0.434 0.000 0.480 349 S N 0.777 116.726 115.700 0.415 0.000 2.406 349 S HA -0.130 nan 4.470 nan 0.000 0.228 349 S C 1.396 175.844 174.600 -0.253 0.000 1.020 349 S CA 3.428 61.689 58.200 0.101 0.000 0.965 349 S CB 0.193 63.387 63.200 -0.010 0.000 0.798 349 S HN -0.281 8.767 8.310 0.531 -0.420 0.488 350 T N -1.221 113.205 114.554 -0.215 0.000 2.939 350 T HA 0.273 nan 4.350 nan 0.000 0.254 350 T C 2.108 176.591 174.700 -0.361 0.000 1.041 350 T CA 2.214 64.103 62.100 -0.351 0.000 1.142 350 T CB 0.335 68.975 68.868 -0.380 0.000 0.874 350 T HN -0.329 8.126 8.240 -0.054 -0.247 0.452 351 S N 4.017 119.551 115.700 -0.277 0.000 2.575 351 S HA -0.469 nan 4.470 nan 0.000 0.304 351 S C 1.426 175.418 174.600 -1.014 0.000 1.237 351 S CA 3.059 60.993 58.200 -0.443 0.000 1.122 351 S CB -1.145 61.962 63.200 -0.154 0.000 1.073 351 S HN -0.057 8.188 8.310 -0.108 0.000 0.450 352 L N -1.619 118.949 121.223 -1.090 0.000 2.567 352 L HA 0.053 nan 4.340 nan 0.000 0.225 352 L C 0.744 177.262 176.870 -0.586 0.000 1.119 352 L CA 1.065 55.167 54.840 -1.230 0.000 0.871 352 L CB -0.257 41.231 42.059 -0.952 0.000 1.036 352 L HN -0.680 7.028 8.230 -0.790 0.049 0.459 353 R N -2.103 118.133 120.500 -0.440 0.000 2.062 353 R HA -0.211 nan 4.340 nan 0.000 0.229 353 R C 0.138 176.099 176.300 -0.565 0.000 1.128 353 R CA 1.838 57.763 56.100 -0.293 0.000 0.960 353 R CB -0.230 30.027 30.300 -0.072 0.000 0.855 353 R HN -0.897 7.046 8.270 -0.466 0.047 0.432 354 D N 1.131 121.168 120.400 -0.605 0.000 2.382 354 D HA 0.206 nan 4.640 nan 0.000 0.259 354 D C -0.771 175.320 176.300 -0.348 0.000 1.224 354 D CA -2.559 51.024 54.000 -0.694 0.000 0.894 354 D CB 0.338 40.993 40.800 -0.241 0.000 1.127 354 D HN -0.557 7.558 8.370 -0.425 0.000 0.487 355 P HA -0.187 nan 4.420 nan 0.000 0.217 355 P C 0.778 178.152 177.300 0.124 0.000 1.148 355 P CA 2.200 65.317 63.100 0.028 0.000 0.828 355 P CB -0.011 31.705 31.700 0.027 0.000 0.783 356 I N -5.312 115.276 120.570 0.029 0.000 2.567 356 I HA -0.405 nan 4.170 nan 0.000 0.257 356 I C 1.006 177.115 176.117 -0.014 0.000 1.184 356 I CA 2.324 63.638 61.300 0.023 0.000 1.451 356 I CB -0.744 37.235 38.000 -0.036 0.000 1.089 356 I HN -0.858 7.316 8.210 -0.023 0.022 0.441 357 F N 2.238 122.009 119.950 -0.297 0.000 2.085 357 F HA -0.592 nan 4.527 nan 0.000 0.299 357 F C 0.644 176.070 175.800 -0.624 0.000 1.096 357 F CA 4.569 62.227 58.000 -0.570 0.000 1.227 357 F CB 0.035 38.499 39.000 -0.893 0.000 0.983 357 F HN -0.375 7.787 8.300 -0.017 0.127 0.482 358 Y N -5.277 114.917 120.300 -0.177 0.000 2.395 358 Y HA -0.342 nan 4.550 nan 0.000 0.293 358 Y C 1.896 177.811 175.900 0.025 0.000 1.123 358 Y CA 3.052 61.054 58.100 -0.162 0.000 1.227 358 Y CB -0.631 37.738 38.460 -0.153 0.000 1.012 358 Y HN -0.685 7.511 8.280 -0.113 0.015 0.552 359 R N 0.842 121.456 120.500 0.191 0.000 2.073 359 R HA -0.394 nan 4.340 nan 0.000 0.234 359 R C 2.173 178.618 176.300 0.242 0.000 1.134 359 R CA 3.636 59.865 56.100 0.216 0.000 0.952 359 R CB -0.399 30.024 30.300 0.205 0.000 0.850 359 R HN -0.368 7.847 8.270 0.152 0.147 0.433 360 W N -1.581 119.748 121.300 0.047 0.000 2.425 360 W HA -0.204 nan 4.660 nan 0.000 0.277 360 W C 0.774 177.445 176.519 0.254 0.000 1.231 360 W CA 3.635 61.061 57.345 0.136 0.000 1.248 360 W CB 0.217 29.650 29.460 -0.045 0.000 1.117 360 W HN -0.265 8.053 8.180 0.231 0.000 0.568 361 H N -1.754 117.307 119.070 -0.016 0.000 2.525 361 H HA 0.038 nan 4.556 nan 0.000 0.275 361 H C 2.892 178.237 175.328 0.028 0.000 0.984 361 H CA 2.863 58.884 56.048 -0.045 0.000 1.264 361 H CB 0.098 29.738 29.762 -0.204 0.000 1.432 361 H HN -0.584 7.682 8.280 0.296 0.192 0.549 362 R N -0.013 120.605 120.500 0.197 0.000 2.115 362 R HA -0.189 nan 4.340 nan 0.000 0.226 362 R C 1.692 178.062 176.300 0.118 0.000 1.100 362 R CA 1.867 58.065 56.100 0.164 0.000 0.980 362 R CB -0.884 29.521 30.300 0.177 0.000 0.875 362 R HN 0.264 8.666 8.270 0.220 0.000 0.445 363 F N 1.877 121.748 119.950 -0.132 0.000 2.051 363 F HA -0.298 nan 4.527 nan 0.000 0.296 363 F C 1.586 177.202 175.800 -0.306 0.000 1.122 363 F CA 2.734 60.561 58.000 -0.289 0.000 1.201 363 F CB -0.194 38.461 39.000 -0.575 0.000 0.978 363 F HN -0.793 7.462 8.300 0.146 0.132 0.472 364 I N -4.745 115.518 120.570 -0.512 0.000 2.208 364 I HA -0.614 nan 4.170 nan 0.000 0.245 364 I C 1.317 177.357 176.117 -0.127 0.000 1.097 364 I CA 3.695 64.725 61.300 -0.449 0.000 1.363 364 I CB -0.738 37.147 38.000 -0.190 0.000 1.051 364 I HN -0.078 7.856 8.210 -0.459 0.000 0.413 365 D N 0.199 120.658 120.400 0.099 0.000 2.149 365 D HA -0.381 nan 4.640 nan 0.000 0.198 365 D C 2.063 178.436 176.300 0.122 0.000 0.990 365 D CA 3.710 57.882 54.000 0.287 0.000 0.839 365 D CB -0.146 40.802 40.800 0.246 0.000 0.948 365 D HN -0.427 7.970 8.370 0.046 0.000 0.460 366 N N -0.950 117.741 118.700 -0.016 0.000 2.166 366 N HA -0.250 nan 4.740 nan 0.000 0.186 366 N C 2.597 178.013 175.510 -0.156 0.000 1.019 366 N CA 3.178 56.199 53.050 -0.047 0.000 0.856 366 N CB -0.119 38.372 38.487 0.006 0.000 0.993 366 N HN 0.058 8.180 8.380 -0.048 0.229 0.426 367 I N 0.352 120.723 120.570 -0.332 0.000 2.163 367 I HA -0.522 nan 4.170 nan 0.000 0.240 367 I C 1.642 177.542 176.117 -0.361 0.000 1.081 367 I CA 4.221 65.269 61.300 -0.420 0.000 1.353 367 I CB -0.168 37.450 38.000 -0.638 0.000 1.054 367 I HN -0.568 7.283 8.210 -0.416 0.109 0.407 368 F N -1.263 118.514 119.950 -0.288 0.000 2.161 368 F HA -0.455 nan 4.527 nan 0.000 0.300 368 F C 2.289 177.836 175.800 -0.421 0.000 1.089 368 F CA 4.065 61.809 58.000 -0.428 0.000 1.282 368 F CB -0.983 37.569 39.000 -0.747 0.000 1.010 368 F HN -0.359 7.735 8.300 -0.343 0.000 0.485 369 Q N -2.252 117.496 119.800 -0.087 0.000 2.124 369 Q HA -0.358 nan 4.340 nan 0.000 0.202 369 Q C 2.880 178.803 176.000 -0.128 0.000 0.977 369 Q CA 3.195 58.952 55.803 -0.077 0.000 0.850 369 Q CB -0.827 27.911 28.738 0.000 0.000 0.901 369 Q HN 0.630 8.767 8.270 -0.020 0.122 0.429 370 E N -0.034 120.079 120.200 -0.145 0.000 2.110 370 E HA -0.391 nan 4.350 nan 0.000 0.193 370 E C 2.315 178.782 176.600 -0.222 0.000 0.988 370 E CA 3.025 59.327 56.400 -0.163 0.000 0.804 370 E CB -0.291 29.312 29.700 -0.162 0.000 0.745 370 E HN -0.172 8.009 8.360 -0.145 0.092 0.458 371 H N 0.540 119.379 119.070 -0.384 0.000 2.357 371 H HA -0.166 nan 4.556 nan 0.000 0.301 371 H C 2.431 177.182 175.328 -0.962 0.000 1.082 371 H CA 2.729 58.434 56.048 -0.571 0.000 1.342 371 H CB 0.057 29.559 29.762 -0.434 0.000 1.389 371 H HN -0.537 7.537 8.280 -0.164 0.108 0.511 372 K N -1.976 118.010 120.400 -0.690 0.000 2.097 372 K HA -0.315 nan 4.320 nan 0.000 0.206 372 K C 2.529 178.903 176.600 -0.377 0.000 1.049 372 K CA 2.079 58.061 56.287 -0.508 0.000 0.933 372 K CB -0.533 31.877 32.500 -0.150 0.000 0.717 372 K HN -0.072 7.934 8.250 -0.407 0.000 0.442 373 K N -1.709 118.517 120.400 -0.290 0.000 2.097 373 K HA -0.183 nan 4.320 nan 0.000 0.206 373 K C 2.329 178.798 176.600 -0.219 0.000 1.049 373 K CA 2.434 58.604 56.287 -0.195 0.000 0.933 373 K CB 0.202 32.618 32.500 -0.140 0.000 0.717 373 K HN -0.104 7.793 8.250 -0.274 0.188 0.442 374 S N -2.139 113.392 115.700 -0.282 0.000 2.453 374 S HA -0.141 nan 4.470 nan 0.000 0.231 374 S C 0.606 175.094 174.600 -0.187 0.000 1.005 374 S CA 1.991 60.086 58.200 -0.174 0.000 0.949 374 S CB 0.414 63.626 63.200 0.020 0.000 0.774 374 S HN -0.364 7.741 8.310 -0.342 0.000 0.510 375 F N 2.770 122.592 119.950 -0.213 0.000 2.496 375 F HA -0.019 nan 4.527 nan 0.000 0.344 375 F C -0.024 175.574 175.800 -0.337 0.000 1.155 375 F CA -0.133 57.717 58.000 -0.250 0.000 1.302 375 F CB -0.072 38.809 39.000 -0.197 0.000 1.159 375 F HN -0.817 7.077 8.300 -0.678 0.000 0.595 376 H N 1.140 120.252 119.070 0.070 0.000 2.511 376 H HA 0.147 nan 4.556 nan 0.000 0.346 376 H C -1.432 173.797 175.328 -0.166 0.000 1.128 376 H CA -0.989 55.038 56.048 -0.036 0.000 1.342 376 H CB -0.069 29.676 29.762 -0.029 0.000 1.470 376 H HN 0.239 8.630 8.280 0.185 0.000 0.546 377 P HA -0.166 nan 4.420 nan 0.000 0.271 377 P C -1.255 175.942 177.300 -0.171 0.000 1.228 377 P CA 0.676 63.711 63.100 -0.110 0.000 0.797 377 P CB 0.430 32.153 31.700 0.037 0.000 0.914 378 Y N -0.535 119.847 120.300 0.137 0.000 2.327 378 Y HA -0.020 nan 4.550 nan 0.000 0.336 378 Y C 0.275 176.203 175.900 0.048 0.000 1.035 378 Y CA 0.358 58.511 58.100 0.089 0.000 1.165 378 Y CB 0.369 38.856 38.460 0.046 0.000 1.181 378 Y HN 0.238 8.614 8.280 0.160 0.000 0.494 379 T N 4.833 119.518 114.554 0.218 0.000 2.932 379 T HA 0.050 nan 4.350 nan 0.000 0.312 379 T C 1.078 175.815 174.700 0.060 0.000 1.071 379 T CA -0.039 62.127 62.100 0.109 0.000 1.128 379 T CB 0.545 69.462 68.868 0.083 0.000 0.984 379 T HN 0.309 8.705 8.240 0.260 0.000 0.549 380 K N 3.911 124.319 120.400 0.013 0.000 2.103 380 K HA -0.465 nan 4.320 nan 0.000 0.207 380 K C 2.145 178.731 176.600 -0.024 0.000 1.048 380 K CA 3.882 60.147 56.287 -0.037 0.000 0.930 380 K CB -0.113 32.371 32.500 -0.027 0.000 0.716 380 K HN 0.440 8.705 8.250 0.025 0.000 0.444 381 E N -0.223 119.980 120.200 0.005 0.000 2.035 381 E HA -0.303 nan 4.350 nan 0.000 0.204 381 E C 2.252 178.864 176.600 0.019 0.000 1.025 381 E CA 3.254 59.662 56.400 0.014 0.000 0.835 381 E CB -0.501 29.212 29.700 0.021 0.000 0.764 381 E HN 0.095 8.460 8.360 0.013 0.003 0.457 382 E N -1.399 118.825 120.200 0.039 0.000 2.085 382 E HA -0.265 nan 4.350 nan 0.000 0.194 382 E C 1.111 177.715 176.600 0.007 0.000 0.994 382 E CA 2.258 58.689 56.400 0.051 0.000 0.801 382 E CB -0.747 29.043 29.700 0.149 0.000 0.743 382 E HN 0.136 8.530 8.360 0.056 0.000 0.453 383 L N -4.857 116.329 121.223 -0.061 0.000 2.465 383 L HA -0.114 nan 4.340 nan 0.000 0.224 383 L C 0.004 176.818 176.870 -0.093 0.000 1.145 383 L CA 0.862 55.597 54.840 -0.175 0.000 0.834 383 L CB 0.248 42.104 42.059 -0.338 0.000 0.944 383 L HN -0.389 7.724 8.230 -0.039 0.093 0.451 384 S N -1.078 114.611 115.700 -0.019 0.000 2.420 384 S HA 0.092 nan 4.470 nan 0.000 0.313 384 S C -1.437 173.244 174.600 0.136 0.000 1.079 384 S CA -0.250 57.973 58.200 0.039 0.000 1.104 384 S CB 0.466 63.674 63.200 0.014 0.000 0.969 384 S HN -0.491 7.624 8.310 -0.013 0.188 0.471 385 F N 8.630 128.563 119.950 -0.028 0.000 2.487 385 F HA 0.185 nan 4.527 nan 0.000 0.364 385 F C -2.001 173.795 175.800 -0.008 0.000 1.126 385 F CA -3.336 54.658 58.000 -0.010 0.000 1.135 385 F CB 0.294 39.294 39.000 -0.001 0.000 1.127 385 F HN 0.242 8.983 8.300 0.241 -0.296 0.559 386 P HA 0.027 nan 4.420 nan 0.000 0.267 386 P C -0.424 176.746 177.300 -0.216 0.000 1.205 386 P CA 0.461 63.514 63.100 -0.078 0.000 0.765 386 P CB 0.123 31.800 31.700 -0.037 0.000 0.828 387 G N 2.190 110.896 108.800 -0.156 0.000 2.336 387 G HA2 -0.367 nan 3.960 nan 0.000 0.233 387 G HA3 -0.367 nan 3.960 nan 0.000 0.233 387 G C -1.040 173.748 174.900 -0.186 0.000 1.053 387 G CA 0.384 45.387 45.100 -0.162 0.000 0.625 387 G HN 0.366 8.596 8.290 -0.100 0.000 0.511 388 V N 2.893 122.630 119.914 -0.294 0.000 2.455 388 V HA 0.007 nan 4.120 nan 0.000 0.273 388 V C -1.059 174.992 176.094 -0.072 0.000 1.045 388 V CA -0.150 62.019 62.300 -0.219 0.000 0.976 388 V CB -0.214 31.372 31.823 -0.395 0.000 0.993 388 V HN -0.713 7.147 8.190 -0.418 0.079 0.475 389 E N 8.044 128.228 120.200 -0.027 0.000 2.129 389 E HA 0.251 nan 4.350 nan 0.000 0.268 389 E C -0.255 176.368 176.600 0.037 0.000 0.900 389 E CA -1.699 54.707 56.400 0.010 0.000 0.755 389 E CB 2.808 32.509 29.700 0.003 0.000 1.117 389 E HN 0.231 8.442 8.360 -0.034 0.129 0.410 390 V N 9.062 129.013 119.914 0.062 0.000 2.415 390 V HA -0.165 nan 4.120 nan 0.000 0.252 390 V C 0.063 176.194 176.094 0.061 0.000 1.043 390 V CA 1.706 64.051 62.300 0.076 0.000 1.149 390 V CB -1.853 30.030 31.823 0.101 0.000 1.143 390 V HN 0.750 8.981 8.190 0.068 0.000 0.478 391 V N 7.438 127.383 119.914 0.052 0.000 3.305 391 V HA -0.049 nan 4.120 nan 0.000 0.269 391 V C 0.311 176.434 176.094 0.049 0.000 1.157 391 V CA 0.602 62.928 62.300 0.043 0.000 1.157 391 V CB -0.396 31.448 31.823 0.035 0.000 0.772 391 V HN 0.545 8.671 8.190 0.053 0.096 0.498 392 G N -3.385 105.453 108.800 0.064 0.000 2.361 392 G HA2 -0.115 nan 3.960 nan 0.000 0.305 392 G HA3 -0.115 nan 3.960 nan 0.000 0.305 392 G C -3.097 171.858 174.900 0.092 0.000 1.367 392 G CA 0.168 45.310 45.100 0.071 0.000 0.951 392 G HN -0.702 7.603 8.290 0.070 0.027 0.615 393 V N -1.898 118.081 119.914 0.108 0.000 3.160 393 V HA 0.806 nan 4.120 nan 0.000 0.310 393 V C -1.395 174.772 176.094 0.122 0.000 1.181 393 V CA -2.318 60.069 62.300 0.144 0.000 1.047 393 V CB 3.628 35.579 31.823 0.213 0.000 1.068 393 V HN 0.244 8.491 8.190 0.095 0.000 0.441 394 S N -0.858 114.918 115.700 0.127 0.000 2.552 394 S HA 0.522 nan 4.470 nan 0.000 0.272 394 S C -2.056 172.596 174.600 0.087 0.000 1.150 394 S CA 0.122 58.379 58.200 0.096 0.000 0.849 394 S CB 3.840 67.078 63.200 0.063 0.000 1.113 394 S HN -0.134 8.264 8.310 0.146 0.000 0.458 395 I N -1.834 118.781 120.570 0.075 0.000 2.404 395 I HA 0.632 nan 4.170 nan 0.000 0.293 395 I C -2.096 174.056 176.117 0.058 0.000 0.992 395 I CA -1.987 59.354 61.300 0.068 0.000 1.149 395 I CB 1.754 39.849 38.000 0.158 0.000 1.315 395 I HN 0.625 9.224 8.210 0.072 -0.346 0.446 396 N N 7.794 126.523 118.700 0.048 0.000 2.558 396 N HA 0.362 nan 4.740 nan 0.000 0.242 396 N C -0.526 175.024 175.510 0.066 0.000 0.979 396 N CA -0.336 52.739 53.050 0.041 0.000 0.931 396 N CB 1.047 39.547 38.487 0.021 0.000 1.122 396 N HN -0.141 8.252 8.380 0.021 0.000 0.508 397 S N 6.172 121.907 115.700 0.058 0.000 3.320 397 S HA 0.109 nan 4.470 nan 0.000 0.185 397 S C 0.185 174.801 174.600 0.028 0.000 1.028 397 S CA 1.165 59.400 58.200 0.059 0.000 1.641 397 S CB 0.580 63.787 63.200 0.010 0.000 0.630 397 S HN 0.404 8.735 8.310 0.035 0.000 0.555 398 K N 1.653 122.056 120.400 0.004 0.000 2.148 398 K HA -0.126 nan 4.320 nan 0.000 0.204 398 K C -0.530 176.067 176.600 -0.005 0.000 1.050 398 K CA 1.677 57.961 56.287 -0.006 0.000 0.942 398 K CB 0.468 32.955 32.500 -0.022 0.000 0.724 398 K HN -0.192 8.464 8.250 -0.004 -0.408 0.446 399 T N -0.759 113.792 114.554 -0.005 0.000 2.831 399 T HA 0.227 nan 4.350 nan 0.000 0.287 399 T C -2.263 172.440 174.700 0.004 0.000 1.070 399 T CA -1.885 60.214 62.100 -0.002 0.000 1.010 399 T CB 3.284 72.147 68.868 -0.008 0.000 1.264 399 T HN -0.695 7.522 8.240 -0.007 0.019 0.532 400 A N -0.273 122.551 122.820 0.007 0.000 2.407 400 A HA 0.108 nan 4.320 nan 0.000 0.248 400 A C 0.139 177.730 177.584 0.010 0.000 1.082 400 A CA 0.456 52.501 52.037 0.014 0.000 0.785 400 A CB 0.023 19.032 19.000 0.016 0.000 1.020 400 A HN 0.110 8.263 8.150 0.006 0.000 0.489 401 N N -1.955 116.756 118.700 0.017 0.000 2.678 401 N HA -0.353 nan 4.740 nan 0.000 0.249 401 N C -1.257 174.250 175.510 -0.004 0.000 1.119 401 N CA 1.418 54.477 53.050 0.015 0.000 0.718 401 N CB -1.585 36.918 38.487 0.027 0.000 1.060 401 N HN 0.080 8.476 8.380 0.027 0.000 0.552 402 V N -9.449 110.449 119.914 -0.026 0.000 2.769 402 V HA 0.767 nan 4.120 nan 0.000 0.312 402 V C -2.320 173.710 176.094 -0.107 0.000 1.061 402 V CA -2.647 59.623 62.300 -0.050 0.000 0.931 402 V CB 3.616 35.418 31.823 -0.036 0.000 1.010 402 V HN -0.929 7.184 8.190 -0.020 0.065 0.433 403 I N 1.513 121.981 120.570 -0.170 0.000 2.693 403 I HA 0.445 nan 4.170 nan 0.000 0.303 403 I C -2.001 174.035 176.117 -0.135 0.000 1.025 403 I CA -2.114 59.050 61.300 -0.227 0.000 1.086 403 I CB 3.501 41.211 38.000 -0.484 0.000 1.268 403 I HN 0.559 8.568 8.210 -0.160 0.105 0.440 404 T N 7.441 121.942 114.554 -0.088 0.000 2.809 404 T HA 0.448 nan 4.350 nan 0.000 0.284 404 T C -1.246 173.448 174.700 -0.011 0.000 0.992 404 T CA -0.623 61.450 62.100 -0.045 0.000 0.957 404 T CB 1.577 70.416 68.868 -0.048 0.000 0.942 404 T HN 0.164 8.353 8.240 -0.085 0.000 0.439 405 T N 7.728 122.302 114.554 0.032 0.000 2.918 405 T HA 0.660 nan 4.350 nan 0.000 0.283 405 T C -1.764 172.969 174.700 0.054 0.000 1.001 405 T CA -1.932 60.232 62.100 0.107 0.000 1.041 405 T CB 1.098 70.081 68.868 0.192 0.000 1.028 405 T HN 0.628 8.889 8.240 0.036 0.000 0.511 406 L N 1.286 122.567 121.223 0.097 0.000 2.301 406 L HA 0.648 nan 4.340 nan 0.000 0.249 406 L C -1.465 175.505 176.870 0.165 0.000 1.069 406 L CA -1.292 53.553 54.840 0.008 0.000 0.865 406 L CB 3.803 45.865 42.059 0.004 0.000 1.467 406 L HN -0.292 7.934 8.230 0.179 0.111 0.419 407 I N -0.452 120.176 120.570 0.097 0.000 2.392 407 I HA 0.426 nan 4.170 nan 0.000 0.295 407 I C -1.811 174.299 176.117 -0.012 0.000 0.985 407 I CA -2.112 59.275 61.300 0.144 0.000 1.221 407 I CB 1.381 39.502 38.000 0.202 0.000 1.366 407 I HN 0.221 8.427 8.210 -0.007 0.000 0.467 408 K N 8.808 129.088 120.400 -0.200 0.000 2.545 408 K HA 0.390 nan 4.320 nan 0.000 0.252 408 K C -1.322 174.959 176.600 -0.531 0.000 0.948 408 K CA -1.657 54.401 56.287 -0.382 0.000 0.827 408 K CB 2.586 34.793 32.500 -0.488 0.000 1.128 408 K HN 0.847 8.844 8.250 -0.242 0.108 0.429 409 E N 5.623 125.629 120.200 -0.322 0.000 2.398 409 E HA 0.089 nan 4.350 nan 0.000 0.263 409 E C -1.047 175.231 176.600 -0.537 0.000 1.046 409 E CA 0.545 56.663 56.400 -0.471 0.000 0.908 409 E CB 0.403 29.887 29.700 -0.361 0.000 0.963 409 E HN 0.390 8.637 8.360 -0.189 0.000 0.431 410 S N 1.712 116.966 115.700 -0.743 0.000 2.727 410 S HA 0.381 nan 4.470 nan 0.000 0.278 410 S C -2.067 172.086 174.600 -0.744 0.000 1.186 410 S CA -0.953 56.812 58.200 -0.725 0.000 0.836 410 S CB 2.699 65.419 63.200 -0.799 0.000 1.186 410 S HN 0.435 8.234 8.310 -0.851 0.000 0.499 411 L N -0.460 120.531 121.223 -0.387 0.000 2.309 411 L HA 0.573 nan 4.340 nan 0.000 0.261 411 L C -2.159 174.819 176.870 0.180 0.000 1.021 411 L CA -1.030 53.757 54.840 -0.088 0.000 0.823 411 L CB 3.283 45.309 42.059 -0.055 0.000 1.366 411 L HN 0.423 8.482 8.230 -0.284 0.000 0.423 412 L N -0.612 120.721 121.223 0.184 0.000 2.543 412 L HA 0.258 nan 4.340 nan 0.000 0.265 412 L C -2.229 174.695 176.870 0.089 0.000 0.945 412 L CA 0.126 55.055 54.840 0.148 0.000 0.869 412 L CB 3.523 45.674 42.059 0.153 0.000 1.294 412 L HN -0.161 8.147 8.230 0.131 0.000 0.405 413 E N 6.569 126.807 120.200 0.064 0.000 1.963 413 E HA 0.216 nan 4.350 nan 0.000 0.274 413 E C 0.649 177.324 176.600 0.126 0.000 1.061 413 E CA -0.844 55.615 56.400 0.098 0.000 0.847 413 E CB 0.056 29.834 29.700 0.130 0.000 1.083 413 E HN 0.316 8.696 8.360 0.034 0.000 0.402 414 L N 6.423 127.706 121.223 0.101 0.000 2.141 414 L HA -0.299 nan 4.340 nan 0.000 0.209 414 L C 1.552 178.488 176.870 0.110 0.000 1.094 414 L CA 3.039 57.938 54.840 0.099 0.000 0.763 414 L CB -0.547 41.570 42.059 0.096 0.000 0.908 414 L HN 0.992 9.275 8.230 0.089 0.000 0.437 415 S N -0.504 115.268 115.700 0.120 0.000 2.434 415 S HA -0.483 nan 4.470 nan 0.000 0.250 415 S C 2.258 176.885 174.600 0.046 0.000 1.102 415 S CA 3.483 61.779 58.200 0.161 0.000 1.104 415 S CB -0.596 62.561 63.200 -0.072 0.000 0.957 415 S HN -0.177 8.192 8.310 0.099 0.000 0.456 416 H N -0.260 118.765 119.070 -0.076 0.000 2.326 416 H HA -0.144 nan 4.556 nan 0.000 0.301 416 H C 1.873 177.056 175.328 -0.242 0.000 1.081 416 H CA 2.961 58.828 56.048 -0.302 0.000 1.334 416 H CB 0.130 29.601 29.762 -0.485 0.000 1.385 416 H HN -0.836 7.495 8.280 0.134 0.030 0.504 417 G N -2.924 105.861 108.800 -0.026 0.000 2.404 417 G HA2 -0.132 nan 3.960 nan 0.000 0.214 417 G HA3 -0.132 nan 3.960 nan 0.000 0.214 417 G C -0.246 174.633 174.900 -0.034 0.000 1.189 417 G CA 0.917 45.974 45.100 -0.072 0.000 0.789 417 G HN -0.332 7.982 8.290 0.040 0.000 0.533 418 I N -3.732 116.860 120.570 0.036 0.000 3.076 418 I HA 0.450 nan 4.170 nan 0.000 0.313 418 I C -1.905 174.246 176.117 0.057 0.000 1.053 418 I CA -3.344 57.983 61.300 0.045 0.000 1.048 418 I CB 2.177 40.211 38.000 0.056 0.000 1.264 418 I HN -0.271 7.867 8.210 0.062 0.109 0.498 419 N N 1.612 120.299 118.700 -0.022 0.000 2.415 419 N HA -0.057 nan 4.740 nan 0.000 0.250 419 N C -0.046 175.383 175.510 -0.135 0.000 1.127 419 N CA -0.563 52.378 53.050 -0.181 0.000 0.945 419 N CB -0.684 37.651 38.487 -0.252 0.000 1.196 419 N HN -0.008 8.358 8.380 -0.023 0.000 0.499 420 F N 1.563 121.515 119.950 0.004 0.000 2.171 420 F HA -0.136 nan 4.527 nan 0.000 0.300 420 F C 1.422 177.208 175.800 -0.023 0.000 1.090 420 F CA 0.810 58.805 58.000 -0.008 0.000 1.293 420 F CB -0.181 38.813 39.000 -0.010 0.000 1.013 420 F HN -0.351 7.851 8.300 -0.164 0.000 0.486 421 G N -0.526 108.057 108.800 -0.362 0.000 3.548 421 G HA2 -0.550 nan 3.960 nan 0.000 0.224 421 G HA3 -0.550 nan 3.960 nan 0.000 0.224 421 G C 0.370 175.300 174.900 0.051 0.000 1.351 421 G CA 1.556 46.533 45.100 -0.205 0.000 0.905 421 G HN -0.243 7.518 8.290 -1.061 -0.107 0.561 422 T N 0.614 115.296 114.554 0.213 0.000 3.348 422 T HA 0.125 nan 4.350 nan 0.000 0.233 422 T C 0.247 175.103 174.700 0.261 0.000 0.960 422 T CA 0.230 62.457 62.100 0.212 0.000 1.343 422 T CB 0.942 69.875 68.868 0.108 0.000 1.068 422 T HN 0.201 8.490 8.240 0.187 0.063 0.410 423 D N 2.298 122.808 120.400 0.183 0.000 2.352 423 D HA -0.109 nan 4.640 nan 0.000 0.238 423 D C 0.535 176.720 176.300 -0.191 0.000 1.286 423 D CA 0.179 54.192 54.000 0.022 0.000 0.923 423 D CB 0.495 41.310 40.800 0.026 0.000 1.146 423 D HN -0.348 8.148 8.370 0.210 0.000 0.471 424 Q N -1.205 118.477 119.800 -0.198 0.000 2.016 424 Q HA -0.138 nan 4.340 nan 0.000 0.200 424 Q C 0.333 176.090 176.000 -0.405 0.000 0.978 424 Q CA 2.323 57.939 55.803 -0.311 0.000 0.833 424 Q CB 0.705 29.343 28.738 -0.168 0.000 0.895 424 Q HN -0.124 8.081 8.270 -0.109 0.000 0.427 425 S N -4.010 111.561 115.700 -0.215 0.000 2.543 425 S HA 0.184 nan 4.470 nan 0.000 0.273 425 S C -2.568 172.006 174.600 -0.043 0.000 1.152 425 S CA -0.134 57.984 58.200 -0.136 0.000 0.910 425 S CB 2.609 65.758 63.200 -0.085 0.000 1.105 425 S HN -0.684 7.653 8.310 -0.145 -0.114 0.465 426 V N 1.543 121.461 119.914 0.006 0.000 2.409 426 V HA 0.767 nan 4.120 nan 0.000 0.291 426 V C -1.596 174.528 176.094 0.049 0.000 1.020 426 V CA -2.729 59.596 62.300 0.043 0.000 0.848 426 V CB 1.426 33.295 31.823 0.078 0.000 0.990 426 V HN 0.696 8.891 8.190 0.008 0.000 0.430 427 K N 4.881 125.306 120.400 0.042 0.000 2.270 427 K HA 0.725 nan 4.320 nan 0.000 0.255 427 K C -1.919 174.716 176.600 0.058 0.000 0.936 427 K CA -2.500 53.814 56.287 0.045 0.000 0.809 427 K CB 2.851 35.362 32.500 0.019 0.000 1.131 427 K HN 0.657 8.826 8.250 0.037 0.103 0.427 428 V N 4.155 124.122 119.914 0.088 0.000 2.318 428 V HA 0.253 nan 4.120 nan 0.000 0.271 428 V C -1.487 174.675 176.094 0.114 0.000 1.030 428 V CA -2.396 59.973 62.300 0.114 0.000 0.844 428 V CB 0.643 32.557 31.823 0.151 0.000 1.015 428 V HN 0.069 8.319 8.190 0.100 0.000 0.460 429 K N 11.310 131.721 120.400 0.018 0.000 2.363 429 K HA 0.046 nan 4.320 nan 0.000 0.289 429 K C -1.052 175.480 176.600 -0.113 0.000 1.063 429 K CA 0.093 56.306 56.287 -0.124 0.000 0.967 429 K CB 0.008 32.431 32.500 -0.129 0.000 0.987 429 K HN 0.723 8.888 8.250 0.027 0.101 0.473 430 Y N 3.097 123.309 120.300 -0.145 0.000 2.618 430 Y HA 0.278 nan 4.550 nan 0.000 0.326 430 Y C -2.107 173.607 175.900 -0.311 0.000 1.168 430 Y CA -3.067 54.964 58.100 -0.114 0.000 1.269 430 Y CB 2.435 40.915 38.460 0.033 0.000 1.388 430 Y HN 0.273 8.058 8.280 -0.648 0.106 0.528 431 H N -0.697 118.488 119.070 0.193 0.000 2.609 431 H HA 0.448 nan 4.556 nan 0.000 0.344 431 H C -1.251 174.213 175.328 0.225 0.000 1.040 431 H CA -1.256 54.833 56.048 0.067 0.000 1.216 431 H CB 2.882 32.687 29.762 0.071 0.000 1.529 431 H HN -0.108 8.432 8.280 0.433 0.000 0.519 432 H N 1.483 120.687 119.070 0.222 0.000 2.797 432 H HA 0.373 nan 4.556 nan 0.000 0.372 432 H C -2.090 173.362 175.328 0.205 0.000 1.168 432 H CA -2.442 53.742 56.048 0.228 0.000 1.163 432 H CB 2.373 32.202 29.762 0.112 0.000 1.778 432 H HN 0.792 8.849 8.280 -0.177 0.117 0.551 433 L N 0.160 121.699 121.223 0.527 0.000 2.452 433 L HA 0.107 nan 4.340 nan 0.000 0.267 433 L C -1.066 176.115 176.870 0.518 0.000 1.188 433 L CA 0.830 55.922 54.840 0.420 0.000 0.821 433 L CB 1.291 43.527 42.059 0.294 0.000 1.102 433 L HN 0.371 8.949 8.230 0.580 0.000 0.470 434 D N 0.902 121.520 120.400 0.364 0.000 3.158 434 D HA 0.329 nan 4.640 nan 0.000 0.314 434 D C -2.637 173.779 176.300 0.193 0.000 1.308 434 D CA -1.994 52.167 54.000 0.269 0.000 1.001 434 D CB 3.076 43.978 40.800 0.170 0.000 1.389 434 D HN 0.478 9.039 8.370 0.319 0.000 0.595 435 H N -4.805 114.310 119.070 0.075 0.000 3.064 435 H HA 0.446 nan 4.556 nan 0.000 0.352 435 H C -1.731 173.558 175.328 -0.065 0.000 1.260 435 H CA -1.905 54.130 56.048 -0.021 0.000 1.160 435 H CB 2.803 32.522 29.762 -0.071 0.000 1.879 435 H HN -0.096 8.005 8.280 -0.299 0.000 0.544 436 E N 1.586 121.812 120.200 0.043 0.000 2.398 436 E HA 0.051 nan 4.350 nan 0.000 0.263 436 E C -1.298 175.377 176.600 0.124 0.000 1.046 436 E CA -1.640 54.774 56.400 0.024 0.000 0.908 436 E CB 0.764 30.466 29.700 0.002 0.000 0.963 436 E HN 0.228 8.488 8.360 0.034 0.121 0.431 437 P HA 0.017 nan 4.420 nan 0.000 0.271 437 P C -2.132 175.403 177.300 0.390 0.000 1.233 437 P CA 0.351 63.617 63.100 0.276 0.000 0.789 437 P CB 0.490 32.364 31.700 0.291 0.000 0.951 438 F N -5.454 114.531 119.950 0.059 0.000 2.807 438 F HA 0.494 nan 4.527 nan 0.000 0.316 438 F C -2.455 173.284 175.800 -0.101 0.000 1.162 438 F CA -2.038 55.931 58.000 -0.052 0.000 0.910 438 F CB 2.374 41.300 39.000 -0.124 0.000 1.314 438 F HN -0.253 8.255 8.300 0.347 0.000 0.454 439 T N -0.582 113.811 114.554 -0.269 0.000 2.916 439 T HA 0.616 nan 4.350 nan 0.000 0.292 439 T C -1.621 172.755 174.700 -0.540 0.000 1.055 439 T CA -1.592 60.253 62.100 -0.425 0.000 1.009 439 T CB 2.860 71.628 68.868 -0.168 0.000 1.118 439 T HN -0.152 8.064 8.240 -0.041 0.000 0.497 440 Y N 1.828 122.041 120.300 -0.146 0.000 2.313 440 Y HA 0.216 nan 4.550 nan 0.000 0.332 440 Y C -1.316 174.572 175.900 -0.020 0.000 1.071 440 Y CA -0.841 57.244 58.100 -0.025 0.000 1.169 440 Y CB 1.233 39.692 38.460 -0.001 0.000 1.192 440 Y HN 0.500 8.543 8.280 -0.220 0.105 0.487 441 N N 3.518 122.286 118.700 0.113 0.000 2.446 441 N HA 0.428 nan 4.740 nan 0.000 0.265 441 N C -2.212 173.365 175.510 0.112 0.000 0.975 441 N CA -0.807 52.290 53.050 0.078 0.000 0.928 441 N CB 2.514 41.028 38.487 0.046 0.000 1.160 441 N HN -0.091 8.356 8.380 0.112 0.000 0.495 442 I N 6.060 126.689 120.570 0.099 0.000 2.418 442 I HA 0.613 nan 4.170 nan 0.000 0.287 442 I C -2.553 173.606 176.117 0.070 0.000 1.008 442 I CA -1.947 59.414 61.300 0.103 0.000 1.104 442 I CB 2.996 41.070 38.000 0.123 0.000 1.264 442 I HN 0.471 8.722 8.210 0.069 0.000 0.438 443 V N 9.012 128.968 119.914 0.069 0.000 2.532 443 V HA 0.675 nan 4.120 nan 0.000 0.295 443 V C -1.555 174.574 176.094 0.059 0.000 1.041 443 V CA -1.613 60.721 62.300 0.057 0.000 0.926 443 V CB 1.322 33.174 31.823 0.048 0.000 0.992 443 V HN 0.805 8.931 8.190 0.077 0.110 0.457 444 V N 5.321 125.268 119.914 0.055 0.000 2.841 444 V HA 0.407 nan 4.120 nan 0.000 0.310 444 V C -2.045 174.068 176.094 0.031 0.000 1.090 444 V CA -1.218 61.112 62.300 0.050 0.000 0.930 444 V CB 4.334 36.198 31.823 0.069 0.000 1.014 444 V HN 0.885 9.019 8.190 0.052 0.087 0.425 445 E N 6.352 126.561 120.200 0.015 0.000 2.070 445 E HA 0.273 nan 4.350 nan 0.000 0.261 445 E C -1.364 175.222 176.600 -0.024 0.000 0.926 445 E CA -2.358 54.042 56.400 -0.001 0.000 0.760 445 E CB 1.259 30.958 29.700 -0.002 0.000 1.133 445 E HN 0.729 8.980 8.360 0.016 0.118 0.420 446 N N 8.216 126.899 118.700 -0.028 0.000 2.739 446 N HA 0.020 nan 4.740 nan 0.000 0.266 446 N C 0.727 176.202 175.510 -0.059 0.000 1.168 446 N CA -1.315 51.699 53.050 -0.061 0.000 1.055 446 N CB -0.351 38.103 38.487 -0.054 0.000 1.393 446 N HN 0.345 8.629 8.380 -0.011 0.090 0.514 447 N N 4.253 122.915 118.700 -0.064 0.000 2.192 447 N HA -0.339 nan 4.740 nan 0.000 0.188 447 N C -0.081 175.397 175.510 -0.054 0.000 1.013 447 N CA 2.357 55.376 53.050 -0.052 0.000 0.863 447 N CB -0.007 38.449 38.487 -0.052 0.000 0.990 447 N HN -0.239 8.065 8.380 -0.073 0.032 0.430 448 S N -0.610 115.046 115.700 -0.073 0.000 2.533 448 S HA 0.004 nan 4.470 nan 0.000 0.282 448 S C 1.063 175.631 174.600 -0.053 0.000 1.304 448 S CA 0.308 58.468 58.200 -0.067 0.000 1.063 448 S CB 0.359 63.506 63.200 -0.089 0.000 0.881 448 S HN -0.693 7.529 8.310 -0.095 0.030 0.493 449 G N 1.577 110.353 108.800 -0.040 0.000 2.479 449 G HA2 -0.242 nan 3.960 nan 0.000 0.220 449 G HA3 -0.242 nan 3.960 nan 0.000 0.220 449 G C -0.940 173.938 174.900 -0.036 0.000 1.115 449 G CA 0.850 45.931 45.100 -0.033 0.000 0.757 449 G HN 0.431 8.699 8.290 -0.037 0.000 0.560 450 A N -0.982 121.813 122.820 -0.042 0.000 2.310 450 A HA 0.129 nan 4.320 nan 0.000 0.299 450 A C -0.677 176.865 177.584 -0.070 0.000 1.147 450 A CA -1.571 50.438 52.037 -0.047 0.000 0.818 450 A CB 1.058 20.036 19.000 -0.037 0.000 1.096 450 A HN -0.667 7.419 8.150 -0.045 0.037 0.495 451 E N 1.141 121.290 120.200 -0.085 0.000 2.652 451 E HA -0.310 nan 4.350 nan 0.000 0.255 451 E C -1.026 175.464 176.600 -0.183 0.000 0.952 451 E CA 0.994 57.314 56.400 -0.133 0.000 0.947 451 E CB 0.084 29.683 29.700 -0.169 0.000 0.912 451 E HN 0.360 8.679 8.360 -0.068 0.000 0.489 452 K N 4.844 125.158 120.400 -0.143 0.000 2.185 452 K HA 0.235 nan 4.320 nan 0.000 0.269 452 K C -1.226 175.381 176.600 0.013 0.000 0.987 452 K CA -1.571 54.679 56.287 -0.062 0.000 0.865 452 K CB 1.773 34.241 32.500 -0.052 0.000 1.090 452 K HN 0.574 8.679 8.250 -0.105 0.082 0.450 453 H N 3.727 122.985 119.070 0.314 0.000 2.552 453 H HA 0.496 nan 4.556 nan 0.000 0.311 453 H C -0.343 175.268 175.328 0.471 0.000 1.071 453 H CA -0.928 55.375 56.048 0.425 0.000 1.307 453 H CB 0.801 30.851 29.762 0.481 0.000 1.416 453 H HN 0.499 8.941 8.280 0.269 0.000 0.464 454 S N 3.282 119.290 115.700 0.513 0.000 2.648 454 S HA 0.753 nan 4.470 nan 0.000 0.305 454 S C -0.712 173.994 174.600 0.177 0.000 1.094 454 S CA -1.648 56.691 58.200 0.232 0.000 0.983 454 S CB 2.195 65.519 63.200 0.207 0.000 1.101 454 S HN 0.700 9.294 8.310 0.474 0.000 0.514 455 T N 2.271 116.806 114.554 -0.032 0.000 2.791 455 T HA 0.379 nan 4.350 nan 0.000 0.288 455 T C -1.336 173.239 174.700 -0.208 0.000 0.999 455 T CA -0.514 61.563 62.100 -0.038 0.000 0.952 455 T CB 0.668 69.579 68.868 0.071 0.000 0.938 455 T HN 0.652 8.640 8.240 -0.227 0.115 0.444 456 V N 7.424 127.100 119.914 -0.396 0.000 2.318 456 V HA 0.373 nan 4.120 nan 0.000 0.271 456 V C -0.883 175.005 176.094 -0.344 0.000 1.030 456 V CA -1.093 60.914 62.300 -0.490 0.000 0.844 456 V CB -0.353 30.849 31.823 -1.034 0.000 1.015 456 V HN 1.044 8.830 8.190 -0.497 0.107 0.460 457 R N 7.536 127.963 120.500 -0.122 0.000 2.207 457 R HA 0.597 nan 4.340 nan 0.000 0.334 457 R C -1.059 175.264 176.300 0.039 0.000 1.013 457 R CA -1.062 55.027 56.100 -0.018 0.000 0.858 457 R CB 0.570 30.971 30.300 0.168 0.000 1.094 457 R HN 0.425 8.644 8.270 -0.084 0.000 0.457 458 I N 4.091 124.609 120.570 -0.085 0.000 2.493 458 I HA 0.636 nan 4.170 nan 0.000 0.298 458 I C -1.494 174.634 176.117 0.018 0.000 0.998 458 I CA -1.022 60.302 61.300 0.041 0.000 1.137 458 I CB 2.681 40.579 38.000 -0.171 0.000 1.310 458 I HN 0.763 8.761 8.210 -0.179 0.105 0.445 459 F N 4.465 124.583 119.950 0.281 0.000 2.593 459 F HA 0.789 nan 4.527 nan 0.000 0.320 459 F C -1.552 174.487 175.800 0.398 0.000 1.060 459 F CA -1.575 56.643 58.000 0.364 0.000 0.940 459 F CB 4.272 43.536 39.000 0.440 0.000 1.268 459 F HN 0.434 9.003 8.300 0.618 0.102 0.475 460 L N 1.275 122.831 121.223 0.554 0.000 2.406 460 L HA 0.672 nan 4.340 nan 0.000 0.272 460 L C -2.367 174.691 176.870 0.314 0.000 0.980 460 L CA -1.341 53.730 54.840 0.385 0.000 0.831 460 L CB 3.541 45.748 42.059 0.247 0.000 1.253 460 L HN 0.902 9.350 8.230 0.552 0.113 0.406 461 A N 5.989 128.901 122.820 0.153 0.000 2.483 461 A HA 0.841 nan 4.320 nan 0.000 0.286 461 A C -3.479 174.109 177.584 0.007 0.000 1.207 461 A CA -2.702 49.258 52.037 -0.129 0.000 0.764 461 A CB 1.981 20.481 19.000 -0.834 0.000 1.341 461 A HN 1.018 9.174 8.150 0.197 0.112 0.428 462 P HA 0.311 nan 4.420 nan 0.000 0.292 462 P C -1.450 175.629 177.300 -0.368 0.000 1.283 462 P CA -0.778 62.049 63.100 -0.455 0.000 0.835 462 P CB 1.279 32.655 31.700 -0.539 0.000 1.017 463 K N 1.225 121.396 120.400 -0.382 0.000 2.166 463 K HA -0.058 nan 4.320 nan 0.000 0.201 463 K C 0.541 176.899 176.600 -0.403 0.000 1.052 463 K CA 1.201 57.276 56.287 -0.353 0.000 0.969 463 K CB 0.895 33.184 32.500 -0.351 0.000 0.761 463 K HN -0.244 7.717 8.250 -0.481 0.000 0.459 464 Y N -1.921 118.222 120.300 -0.261 0.000 2.326 464 Y HA -0.154 nan 4.550 nan 0.000 0.333 464 Y C -0.494 175.285 175.900 -0.202 0.000 1.240 464 Y CA 1.989 59.964 58.100 -0.209 0.000 1.365 464 Y CB 0.753 39.086 38.460 -0.211 0.000 1.289 464 Y HN -0.867 7.235 8.280 -0.297 0.000 0.548 465 D N 0.932 121.369 120.400 0.061 0.000 2.567 465 D HA 0.139 nan 4.640 nan 0.000 0.275 465 D C -0.468 175.821 176.300 -0.018 0.000 1.195 465 D CA -1.160 52.831 54.000 -0.016 0.000 1.087 465 D CB 2.131 42.916 40.800 -0.025 0.000 1.165 465 D HN 0.210 8.547 8.370 0.128 0.110 0.609 466 E N -1.692 118.481 120.200 -0.045 0.000 2.472 466 E HA -0.041 nan 4.350 nan 0.000 0.196 466 E C -0.509 176.064 176.600 -0.045 0.000 1.033 466 E CA 1.226 57.591 56.400 -0.059 0.000 0.886 466 E CB 0.128 29.790 29.700 -0.063 0.000 0.944 466 E HN 0.278 8.610 8.360 -0.048 0.000 0.492 467 L N -0.876 120.331 121.223 -0.027 0.000 2.185 467 L HA -0.042 nan 4.340 nan 0.000 0.198 467 L C 0.030 176.896 176.870 -0.006 0.000 1.079 467 L CA 1.350 56.178 54.840 -0.020 0.000 0.780 467 L CB 0.426 42.474 42.059 -0.019 0.000 0.955 467 L HN 0.097 8.228 8.230 -0.022 0.086 0.462 468 N N -4.724 113.987 118.700 0.019 0.000 3.339 468 N HA -0.075 nan 4.740 nan 0.000 0.275 468 N C -2.075 173.507 175.510 0.120 0.000 1.514 468 N CA -0.702 52.384 53.050 0.059 0.000 0.879 468 N CB 1.485 39.990 38.487 0.031 0.000 1.557 468 N HN -0.850 7.540 8.380 0.016 0.000 0.524 469 N N -0.191 118.597 118.700 0.147 0.000 2.406 469 N HA -0.141 nan 4.740 nan 0.000 0.269 469 N C -1.483 173.981 175.510 -0.076 0.000 1.210 469 N CA 0.849 53.891 53.050 -0.014 0.000 0.966 469 N CB -0.004 38.381 38.487 -0.170 0.000 1.293 469 N HN 0.213 8.688 8.380 0.159 0.000 0.491 470 K N 3.430 123.782 120.400 -0.079 0.000 2.616 470 K HA 0.263 nan 4.320 nan 0.000 0.241 470 K C -0.338 176.207 176.600 -0.092 0.000 0.961 470 K CA -1.438 54.805 56.287 -0.074 0.000 0.942 470 K CB 1.174 33.647 32.500 -0.044 0.000 1.153 470 K HN -0.309 7.900 8.250 -0.068 0.000 0.452 471 L N 6.458 127.624 121.223 -0.094 0.000 2.930 471 L HA 0.000 nan 4.340 nan 0.000 0.250 471 L C -0.808 176.029 176.870 -0.055 0.000 1.320 471 L CA -0.874 53.910 54.840 -0.093 0.000 1.163 471 L CB -1.720 40.288 42.059 -0.085 0.000 1.542 471 L HN 0.832 9.010 8.230 -0.087 0.000 0.428 472 E N 1.552 121.717 120.200 -0.059 0.000 2.081 472 E HA 0.003 nan 4.350 nan 0.000 0.270 472 E C -1.307 175.263 176.600 -0.050 0.000 1.180 472 E CA -1.195 55.180 56.400 -0.041 0.000 0.926 472 E CB -0.651 29.025 29.700 -0.040 0.000 1.035 472 E HN -0.246 7.963 8.360 -0.070 0.109 0.418 473 P HA -0.125 nan 4.420 nan 0.000 0.222 473 P C 0.738 178.034 177.300 -0.007 0.000 1.153 473 P CA 2.424 65.526 63.100 0.002 0.000 0.798 473 P CB 0.299 32.011 31.700 0.021 0.000 0.796 474 D N -0.344 120.038 120.400 -0.030 0.000 2.097 474 D HA -0.324 nan 4.640 nan 0.000 0.197 474 D C 1.407 177.707 176.300 0.000 0.000 0.984 474 D CA 3.361 57.352 54.000 -0.014 0.000 0.826 474 D CB -0.433 40.355 40.800 -0.020 0.000 0.973 474 D HN 0.309 8.659 8.370 -0.035 0.000 0.460 475 E N -1.724 118.463 120.200 -0.021 0.000 2.085 475 E HA -0.349 nan 4.350 nan 0.000 0.194 475 E C 2.479 179.046 176.600 -0.055 0.000 0.994 475 E CA 2.989 59.369 56.400 -0.033 0.000 0.801 475 E CB -0.163 29.507 29.700 -0.050 0.000 0.743 475 E HN 0.113 8.457 8.360 -0.027 0.000 0.453 476 Q N -1.433 118.306 119.800 -0.103 0.000 2.291 476 Q HA -0.245 nan 4.340 nan 0.000 0.205 476 Q C 2.258 178.197 176.000 -0.102 0.000 0.970 476 Q CA 2.568 58.224 55.803 -0.244 0.000 0.876 476 Q CB -0.249 28.194 28.738 -0.490 0.000 0.935 476 Q HN 0.115 8.151 8.270 -0.092 0.179 0.455 477 R N -1.450 119.137 120.500 0.145 0.000 2.200 477 R HA -0.268 nan 4.340 nan 0.000 0.234 477 R C 1.712 178.140 176.300 0.214 0.000 1.127 477 R CA 2.607 58.886 56.100 0.298 0.000 0.989 477 R CB -0.490 29.934 30.300 0.207 0.000 0.869 477 R HN -0.208 8.002 8.270 0.093 0.116 0.459 478 R N -2.924 117.644 120.500 0.113 0.000 2.148 478 R HA -0.091 nan 4.340 nan 0.000 0.223 478 R C 1.176 177.519 176.300 0.071 0.000 1.088 478 R CA 1.287 57.444 56.100 0.096 0.000 0.985 478 R CB -0.135 30.204 30.300 0.065 0.000 0.880 478 R HN -0.656 7.618 8.270 0.068 0.036 0.451 479 L N -1.460 119.776 121.223 0.022 0.000 2.316 479 L HA 0.063 nan 4.340 nan 0.000 0.207 479 L C 0.802 177.701 176.870 0.049 0.000 1.070 479 L CA 0.742 55.570 54.840 -0.019 0.000 0.820 479 L CB 0.112 42.093 42.059 -0.130 0.000 0.992 479 L HN -0.352 7.701 8.230 -0.008 0.173 0.466 480 F N -0.661 119.296 119.950 0.013 0.000 2.512 480 F HA -0.303 nan 4.527 nan 0.000 0.406 480 F C 0.249 176.203 175.800 0.257 0.000 0.990 480 F CA 2.564 60.616 58.000 0.086 0.000 1.137 480 F CB -0.235 38.702 39.000 -0.105 0.000 0.960 480 F HN -0.214 8.098 8.300 0.021 0.000 0.533 481 I N -0.378 120.521 120.570 0.548 0.000 2.465 481 I HA 0.405 nan 4.170 nan 0.000 0.291 481 I C -1.642 174.634 176.117 0.266 0.000 1.014 481 I CA -2.163 59.345 61.300 0.347 0.000 1.093 481 I CB 3.322 41.424 38.000 0.169 0.000 1.267 481 I HN 0.748 9.180 8.210 0.561 0.115 0.431 482 E N 6.663 126.868 120.200 0.008 0.000 2.217 482 E HA -0.034 nan 4.350 nan 0.000 0.279 482 E C -1.119 175.399 176.600 -0.136 0.000 1.068 482 E CA 0.372 56.491 56.400 -0.468 0.000 0.882 482 E CB 0.476 29.964 29.700 -0.353 0.000 1.039 482 E HN 0.053 8.798 8.360 0.159 -0.290 0.418 483 L N 5.541 126.703 121.223 -0.101 0.000 2.375 483 L HA 0.141 nan 4.340 nan 0.000 0.215 483 L C -1.041 175.825 176.870 -0.007 0.000 1.108 483 L CA 0.484 55.346 54.840 0.037 0.000 0.830 483 L CB 1.085 43.268 42.059 0.205 0.000 0.959 483 L HN 0.820 8.836 8.230 -0.171 0.111 0.457 484 D N -3.121 117.232 120.400 -0.079 0.000 2.683 484 D HA 0.189 nan 4.640 nan 0.000 0.246 484 D C -3.038 173.248 176.300 -0.023 0.000 1.238 484 D CA -0.373 53.614 54.000 -0.022 0.000 0.759 484 D CB 2.683 43.476 40.800 -0.011 0.000 1.349 484 D HN -0.818 7.455 8.370 -0.161 0.000 0.426 485 K N 2.560 123.006 120.400 0.076 0.000 2.651 485 K HA 0.567 nan 4.320 nan 0.000 0.259 485 K C -2.182 174.507 176.600 0.149 0.000 1.017 485 K CA -0.097 56.210 56.287 0.034 0.000 0.897 485 K CB 1.823 34.331 32.500 0.013 0.000 1.262 485 K HN 0.199 8.534 8.250 0.142 0.000 0.460 486 F N 1.355 121.289 119.950 -0.027 0.000 2.675 486 F HA 0.469 nan 4.527 nan 0.000 0.324 486 F C -2.427 173.406 175.800 0.054 0.000 1.106 486 F CA -2.548 55.452 58.000 -0.000 0.000 0.970 486 F CB 3.027 42.009 39.000 -0.030 0.000 1.385 486 F HN 0.010 8.080 8.300 -0.383 0.000 0.489 487 F N -0.227 119.760 119.950 0.062 0.000 2.436 487 F HA 0.430 nan 4.527 nan 0.000 0.340 487 F C -2.275 173.661 175.800 0.227 0.000 1.113 487 F CA -1.682 56.232 58.000 -0.143 0.000 1.022 487 F CB 2.195 40.802 39.000 -0.655 0.000 1.128 487 F HN -0.038 8.495 8.300 0.388 0.000 0.466 488 Y N 7.204 127.334 120.300 -0.282 0.000 2.638 488 Y HA 0.233 nan 4.550 nan 0.000 0.339 488 Y C -2.269 173.452 175.900 -0.298 0.000 1.084 488 Y CA -1.280 56.604 58.100 -0.360 0.000 1.068 488 Y CB 4.723 43.204 38.460 0.036 0.000 1.294 488 Y HN -0.229 8.145 8.280 0.157 0.000 0.480 489 T N 3.924 118.110 114.554 -0.614 0.000 2.841 489 T HA 0.588 nan 4.350 nan 0.000 0.283 489 T C -1.562 172.964 174.700 -0.290 0.000 1.000 489 T CA -0.641 61.282 62.100 -0.295 0.000 0.977 489 T CB 1.215 69.950 68.868 -0.223 0.000 0.979 489 T HN -0.004 7.435 8.240 -1.335 0.000 0.446 490 L N 5.913 127.081 121.223 -0.091 0.000 2.372 490 L HA 0.435 nan 4.340 nan 0.000 0.273 490 L C -0.506 176.336 176.870 -0.048 0.000 0.989 490 L CA -1.033 53.811 54.840 0.006 0.000 0.841 490 L CB 2.207 44.322 42.059 0.093 0.000 1.225 490 L HN 0.842 8.905 8.230 -0.110 0.100 0.414 491 T N 2.456 116.986 114.554 -0.039 0.000 2.701 491 T HA 0.214 nan 4.350 nan 0.000 0.303 491 T C -0.947 173.735 174.700 -0.030 0.000 1.030 491 T CA -2.157 59.918 62.100 -0.043 0.000 1.010 491 T CB -1.083 67.767 68.868 -0.030 0.000 1.007 491 T HN 0.085 8.492 8.240 -0.013 -0.175 0.532 492 P HA -0.293 nan 4.420 nan 0.000 0.268 492 P C -0.698 176.593 177.300 -0.015 0.000 1.208 492 P CA 0.553 63.636 63.100 -0.028 0.000 0.777 492 P CB 0.118 31.801 31.700 -0.027 0.000 0.875 493 G N 2.280 111.071 108.800 -0.015 0.000 2.542 493 G HA2 -0.419 nan 3.960 nan 0.000 0.235 493 G HA3 -0.419 nan 3.960 nan 0.000 0.235 493 G C -1.473 173.430 174.900 0.005 0.000 1.286 493 G CA -0.373 44.724 45.100 -0.005 0.000 0.904 493 G HN -0.068 8.105 8.290 -0.023 0.103 0.577 494 K N 2.986 123.393 120.400 0.012 0.000 2.419 494 K HA -0.173 nan 4.320 nan 0.000 0.282 494 K C -0.826 175.795 176.600 0.034 0.000 1.056 494 K CA 1.039 57.339 56.287 0.022 0.000 1.035 494 K CB -0.227 32.285 32.500 0.020 0.000 0.921 494 K HN 0.116 8.371 8.250 0.009 0.000 0.472 495 N N 5.484 124.213 118.700 0.048 0.000 2.269 495 N HA 0.303 nan 4.740 nan 0.000 0.304 495 N C -1.683 173.870 175.510 0.072 0.000 1.072 495 N CA -0.514 52.581 53.050 0.075 0.000 0.802 495 N CB 4.249 42.800 38.487 0.108 0.000 1.348 495 N HN 0.554 8.858 8.380 0.045 0.103 0.484 496 T N -2.451 112.148 114.554 0.076 0.000 2.841 496 T HA 0.658 nan 4.350 nan 0.000 0.283 496 T C -1.213 173.497 174.700 0.016 0.000 1.000 496 T CA -1.622 60.507 62.100 0.048 0.000 0.977 496 T CB 1.819 70.709 68.868 0.036 0.000 0.979 496 T HN 0.294 8.589 8.240 0.091 0.000 0.446 497 I N 2.045 122.579 120.570 -0.061 0.000 2.530 497 I HA 0.551 nan 4.170 nan 0.000 0.297 497 I C -1.540 174.499 176.117 -0.130 0.000 1.011 497 I CA -1.390 59.752 61.300 -0.262 0.000 1.107 497 I CB 3.366 41.162 38.000 -0.340 0.000 1.285 497 I HN 0.410 8.612 8.210 -0.013 0.000 0.436 498 V N 5.065 124.881 119.914 -0.164 0.000 2.588 498 V HA 0.595 nan 4.120 nan 0.000 0.304 498 V C -1.475 174.528 176.094 -0.153 0.000 1.042 498 V CA -1.352 60.894 62.300 -0.091 0.000 0.877 498 V CB 1.792 33.577 31.823 -0.063 0.000 0.996 498 V HN 0.118 8.159 8.190 -0.249 0.000 0.425 499 R N 7.287 127.727 120.500 -0.100 0.000 2.510 499 R HA 0.344 nan 4.340 nan 0.000 0.294 499 R C -1.886 174.337 176.300 -0.128 0.000 1.056 499 R CA -1.760 54.234 56.100 -0.177 0.000 0.918 499 R CB 2.953 33.104 30.300 -0.249 0.000 1.187 499 R HN 0.328 8.581 8.270 -0.027 0.000 0.437 500 N N 6.428 125.018 118.700 -0.184 0.000 2.518 500 N HA 0.143 nan 4.740 nan 0.000 0.283 500 N C 0.776 176.155 175.510 -0.218 0.000 1.119 500 N CA -0.427 52.505 53.050 -0.197 0.000 0.983 500 N CB 0.884 39.287 38.487 -0.140 0.000 1.139 500 N HN 0.462 8.722 8.380 -0.201 0.000 0.465 501 H N 3.445 122.332 119.070 -0.305 0.000 2.375 501 H HA -0.539 nan 4.556 nan 0.000 0.289 501 H C 1.776 177.106 175.328 0.003 0.000 1.121 501 H CA 4.292 60.231 56.048 -0.182 0.000 1.207 501 H CB -0.054 29.751 29.762 0.073 0.000 1.355 501 H HN 0.619 8.764 8.280 -0.225 0.000 0.486 502 Q N -1.444 117.942 119.800 -0.690 0.000 2.124 502 Q HA -0.266 nan 4.340 nan 0.000 0.202 502 Q C 0.968 176.836 176.000 -0.221 0.000 0.977 502 Q CA 2.409 57.852 55.803 -0.601 0.000 0.850 502 Q CB -0.752 27.752 28.738 -0.389 0.000 0.901 502 Q HN 0.336 8.258 8.270 -0.478 0.062 0.429 503 D N -2.552 117.738 120.400 -0.183 0.000 2.344 503 D HA 0.169 nan 4.640 nan 0.000 0.242 503 D C -0.400 175.851 176.300 -0.082 0.000 1.159 503 D CA -0.984 52.942 54.000 -0.123 0.000 0.859 503 D CB -0.525 40.181 40.800 -0.157 0.000 0.925 503 D HN -0.688 7.523 8.370 -0.222 0.026 0.510 504 S N 0.382 116.060 115.700 -0.037 0.000 2.544 504 S HA -0.174 nan 4.470 nan 0.000 0.290 504 S C 0.623 175.214 174.600 -0.015 0.000 1.276 504 S CA 0.590 58.794 58.200 0.007 0.000 1.075 504 S CB 0.305 63.548 63.200 0.072 0.000 0.849 504 S HN -0.739 7.445 8.310 -0.043 0.099 0.494 505 S N 9.026 124.714 115.700 -0.021 0.000 2.727 505 S HA -0.048 nan 4.470 nan 0.000 0.226 505 S C -0.021 174.531 174.600 -0.080 0.000 0.963 505 S CA 1.691 59.875 58.200 -0.026 0.000 0.950 505 S CB -0.407 62.796 63.200 0.005 0.000 0.779 505 S HN 0.365 8.825 8.310 -0.005 -0.152 0.532 506 V N -6.669 113.139 119.914 -0.178 0.000 3.635 506 V HA 0.361 nan 4.120 nan 0.000 0.266 506 V C -0.938 175.085 176.094 -0.118 0.000 1.316 506 V CA -0.105 61.946 62.300 -0.415 0.000 1.060 506 V CB 0.823 32.005 31.823 -1.068 0.000 0.820 506 V HN -0.728 7.291 8.190 -0.122 0.099 0.447 507 T N -1.085 113.472 114.554 0.005 0.000 2.928 507 T HA 0.489 nan 4.350 nan 0.000 0.284 507 T C -0.835 173.931 174.700 0.110 0.000 1.008 507 T CA -2.021 60.144 62.100 0.109 0.000 1.057 507 T CB 1.444 70.390 68.868 0.130 0.000 1.018 507 T HN -0.712 7.519 8.240 -0.016 0.000 0.493 508 I N 3.233 123.880 120.570 0.128 0.000 2.474 508 I HA -0.057 nan 4.170 nan 0.000 0.287 508 I C -0.897 175.263 176.117 0.071 0.000 1.048 508 I CA -1.159 60.193 61.300 0.087 0.000 1.383 508 I CB 1.559 39.614 38.000 0.092 0.000 1.412 508 I HN 0.039 8.342 8.210 0.154 0.000 0.531 509 S N 7.603 123.321 115.700 0.031 0.000 2.339 509 S HA -0.014 nan 4.470 nan 0.000 0.189 509 S C 0.194 174.801 174.600 0.011 0.000 0.966 509 S CA 0.979 59.195 58.200 0.026 0.000 0.925 509 S CB 0.608 63.805 63.200 -0.004 0.000 0.890 509 S HN -0.137 8.328 8.310 0.010 -0.149 0.539 510 K N 2.551 122.930 120.400 -0.034 0.000 2.258 510 K HA 0.061 nan 4.320 nan 0.000 0.284 510 K C -0.532 176.018 176.600 -0.084 0.000 1.051 510 K CA -0.935 55.322 56.287 -0.050 0.000 0.923 510 K CB 0.373 32.831 32.500 -0.070 0.000 1.046 510 K HN -0.198 8.021 8.250 -0.052 0.000 0.474 511 V N 4.094 123.986 119.914 -0.037 0.000 3.083 511 V HA 0.198 nan 4.120 nan 0.000 0.306 511 V C -0.642 175.418 176.094 -0.056 0.000 1.077 511 V CA -1.269 61.009 62.300 -0.037 0.000 1.073 511 V CB 1.133 32.966 31.823 0.017 0.000 1.081 511 V HN 0.215 8.403 8.190 -0.002 0.000 0.474 512 R N 4.531 125.005 120.500 -0.043 0.000 2.468 512 R HA 0.280 nan 4.340 nan 0.000 0.302 512 R C -1.103 175.200 176.300 0.005 0.000 1.041 512 R CA -1.390 54.704 56.100 -0.011 0.000 0.899 512 R CB 1.996 32.312 30.300 0.028 0.000 1.167 512 R HN -0.107 8.143 8.270 -0.033 0.000 0.483 513 T N 4.167 118.724 114.554 0.006 0.000 2.898 513 T HA 0.227 nan 4.350 nan 0.000 0.301 513 T C 1.033 175.747 174.700 0.024 0.000 1.049 513 T CA -0.913 61.188 62.100 0.002 0.000 1.095 513 T CB 1.347 70.207 68.868 -0.013 0.000 0.976 513 T HN 0.218 8.462 8.240 0.007 0.000 0.539 514 F N 5.180 125.019 119.950 -0.184 0.000 2.176 514 F HA -0.442 nan 4.527 nan 0.000 0.301 514 F C 1.115 176.871 175.800 -0.072 0.000 1.071 514 F CA 4.057 61.958 58.000 -0.165 0.000 1.289 514 F CB 0.296 39.078 39.000 -0.364 0.000 1.028 514 F HN 0.371 9.034 8.300 0.066 -0.323 0.494 515 D N -2.920 117.580 120.400 0.166 0.000 2.183 515 D HA -0.190 nan 4.640 nan 0.000 0.203 515 D C 2.672 179.025 176.300 0.089 0.000 0.969 515 D CA 3.073 57.168 54.000 0.159 0.000 0.842 515 D CB -0.555 40.315 40.800 0.117 0.000 0.957 515 D HN -0.628 7.744 8.370 0.065 0.036 0.484 516 Q N -0.483 119.348 119.800 0.052 0.000 2.050 516 Q HA -0.261 nan 4.340 nan 0.000 0.202 516 Q C 2.881 178.890 176.000 0.015 0.000 0.980 516 Q CA 2.853 58.676 55.803 0.033 0.000 0.840 516 Q CB 0.055 28.812 28.738 0.032 0.000 0.898 516 Q HN -0.430 7.773 8.270 0.047 0.095 0.424 517 L N -1.018 120.194 121.223 -0.018 0.000 2.131 517 L HA -0.279 nan 4.340 nan 0.000 0.210 517 L C 2.180 179.014 176.870 -0.061 0.000 1.092 517 L CA 2.084 56.874 54.840 -0.083 0.000 0.759 517 L CB -0.694 41.236 42.059 -0.214 0.000 0.903 517 L HN -0.451 7.770 8.230 -0.014 0.000 0.435 518 G N -2.073 106.734 108.800 0.011 0.000 2.485 518 G HA2 -0.324 nan 3.960 nan 0.000 0.221 518 G HA3 -0.324 nan 3.960 nan 0.000 0.221 518 G C -0.236 174.681 174.900 0.029 0.000 1.115 518 G CA 1.179 46.311 45.100 0.054 0.000 0.751 518 G HN -0.104 8.214 8.290 0.047 0.000 0.567 519 A N 0.890 123.720 122.820 0.017 0.000 2.250 519 A HA 0.313 nan 4.320 nan 0.000 0.222 519 A C -0.402 177.173 177.584 -0.016 0.000 1.768 519 A CA 0.102 52.142 52.037 0.006 0.000 0.660 519 A CB 1.239 20.246 19.000 0.012 0.000 1.318 519 A HN -0.171 7.856 8.150 0.022 0.137 0.527 520 G N -1.444 107.344 108.800 -0.020 0.000 2.491 520 G HA2 -0.219 nan 3.960 nan 0.000 0.508 520 G HA3 -0.219 nan 3.960 nan 0.000 0.508 520 G C -1.028 173.854 174.900 -0.030 0.000 1.143 520 G CA -0.427 44.648 45.100 -0.043 0.000 1.277 520 G HN -0.312 7.975 8.290 -0.006 0.000 0.599 521 E N 1.231 121.426 120.200 -0.008 0.000 4.517 521 E HA 0.180 nan 4.350 nan 0.000 0.408 521 E C -0.082 176.515 176.600 -0.004 0.000 1.456 521 E CA -0.229 56.178 56.400 0.011 0.000 2.449 521 E CB 0.802 30.535 29.700 0.054 0.000 1.556 521 E HN 0.217 8.580 8.360 0.004 0.000 0.781 522 G N -1.444 107.369 108.800 0.022 0.000 4.677 522 G HA2 0.072 nan 3.960 nan 0.000 0.225 522 G HA3 0.072 nan 3.960 nan 0.000 0.225 522 G C -1.564 173.364 174.900 0.046 0.000 0.876 522 G CA 0.097 45.200 45.100 0.004 0.000 0.652 522 G HN 0.182 8.499 8.290 0.045 0.000 0.481 523 V N 0.567 120.560 119.914 0.131 0.000 2.599 523 V HA 0.043 nan 4.120 nan 0.000 0.245 523 V C 0.072 176.278 176.094 0.187 0.000 1.046 523 V CA 1.754 64.157 62.300 0.172 0.000 1.065 523 V CB -0.050 31.900 31.823 0.213 0.000 0.703 523 V HN 0.522 8.817 8.190 0.175 0.000 0.464 524 S N -0.053 115.770 115.700 0.204 0.000 4.438 524 S HA 0.038 nan 4.470 nan 0.000 0.233 524 S C -1.673 172.802 174.600 -0.207 0.000 1.080 524 S CA -0.431 57.767 58.200 -0.004 0.000 1.101 524 S CB 0.698 63.896 63.200 -0.004 0.000 1.989 524 S HN -0.355 8.226 8.310 0.452 0.000 0.546 525 E N 0.556 120.597 120.200 -0.265 0.000 2.646 525 E HA 0.209 nan 4.350 nan 0.000 0.336 525 E C -2.090 174.330 176.600 -0.299 0.000 1.027 525 E CA 0.027 56.170 56.400 -0.427 0.000 0.765 525 E CB 2.591 32.096 29.700 -0.324 0.000 1.545 525 E HN -0.005 8.262 8.360 -0.156 0.000 0.382 526 D N 1.621 121.850 120.400 -0.284 0.000 3.093 526 D HA 0.254 nan 4.640 nan 0.000 0.200 526 D C -0.826 175.380 176.300 -0.157 0.000 1.344 526 D CA -0.913 52.998 54.000 -0.148 0.000 1.133 526 D CB 2.061 42.834 40.800 -0.044 0.000 1.188 526 D HN -0.066 8.039 8.370 -0.440 0.000 0.583 527 S N -0.467 115.185 115.700 -0.080 0.000 4.274 527 S HA 0.235 nan 4.470 nan 0.000 0.171 527 S C 1.398 175.949 174.600 -0.082 0.000 1.154 527 S CA 0.661 58.796 58.200 -0.108 0.000 1.145 527 S CB 1.481 64.589 63.200 -0.154 0.000 1.986 527 S HN 0.223 8.511 8.310 -0.038 0.000 0.795 528 T N 2.301 116.774 114.554 -0.134 0.000 3.072 528 T HA 0.103 nan 4.350 nan 0.000 0.266 528 T C 0.338 174.917 174.700 -0.203 0.000 1.127 528 T CA 2.339 64.319 62.100 -0.200 0.000 1.107 528 T CB -0.394 68.361 68.868 -0.190 0.000 0.910 528 T HN 0.203 8.349 8.240 -0.157 0.000 0.513 529 E N 1.401 121.552 120.200 -0.082 0.000 2.022 529 E HA -0.200 nan 4.350 nan 0.000 0.190 529 E C 1.383 178.009 176.600 0.043 0.000 0.973 529 E CA 1.145 57.543 56.400 -0.003 0.000 0.816 529 E CB -0.897 28.806 29.700 0.005 0.000 0.781 529 E HN -0.017 8.267 8.360 -0.086 0.025 0.456 530 Y N 0.574 120.845 120.300 -0.048 0.000 3.005 530 Y HA -0.464 nan 4.550 nan 0.000 0.272 530 Y C -1.030 174.864 175.900 -0.011 0.000 1.429 530 Y CA 2.005 60.082 58.100 -0.039 0.000 1.238 530 Y CB -0.383 38.033 38.460 -0.073 0.000 0.637 530 Y HN 0.101 8.468 8.280 0.145 0.000 0.581 531 C N -7.811 111.305 119.300 -0.306 0.000 3.367 531 C HA 0.326 nan 4.460 nan 0.000 0.314 531 C C -1.232 173.721 174.990 -0.062 0.000 2.460 531 C CA -1.670 57.169 59.018 -0.298 0.000 1.352 531 C CB -0.477 26.971 27.740 -0.485 0.000 2.457 531 C HN -0.274 7.830 8.230 -0.094 0.070 0.531 532 S N 0.084 115.804 115.700 0.034 0.000 2.707 532 S HA 0.073 nan 4.470 nan 0.000 0.224 532 S C -1.082 173.711 174.600 0.322 0.000 0.931 532 S CA 1.738 60.034 58.200 0.160 0.000 1.243 532 S CB 1.051 64.220 63.200 -0.051 0.000 0.949 532 S HN -0.213 8.120 8.310 0.037 0.000 0.384 533 C N -0.140 119.304 119.300 0.240 0.000 2.551 533 C HA 0.260 nan 4.460 nan 0.000 0.377 533 C C -0.566 174.705 174.990 0.467 0.000 1.622 533 C CA 0.368 59.617 59.018 0.385 0.000 1.980 533 C CB 1.717 29.619 27.740 0.270 0.000 1.946 533 C HN -0.253 7.929 8.230 0.129 0.126 0.525 534 G N 0.085 109.272 108.800 0.646 0.000 2.719 534 G HA2 -0.301 nan 3.960 nan 0.000 0.686 534 G HA3 -0.301 nan 3.960 nan 0.000 0.686 534 G C -1.657 173.426 174.900 0.306 0.000 1.201 534 G CA -0.580 44.768 45.100 0.413 0.000 0.768 534 G HN -0.113 8.690 8.290 0.854 0.000 0.629 535 W N 1.960 123.241 121.300 -0.032 0.000 2.190 535 W HA 0.030 nan 4.660 nan 0.000 0.330 535 W C -1.278 175.254 176.519 0.022 0.000 1.299 535 W CA -1.836 55.477 57.345 -0.053 0.000 1.215 535 W CB 1.176 30.726 29.460 0.149 0.000 1.147 535 W HN 0.693 9.035 8.180 0.401 0.079 0.563 536 P HA -0.127 nan 4.420 nan 0.000 0.268 536 P C -0.404 176.867 177.300 -0.049 0.000 1.208 536 P CA 0.036 63.020 63.100 -0.193 0.000 0.777 536 P CB 0.539 31.967 31.700 -0.453 0.000 0.875 537 E N 4.131 124.374 120.200 0.073 0.000 2.028 537 E HA -0.391 nan 4.350 nan 0.000 0.190 537 E C 1.159 177.947 176.600 0.313 0.000 0.984 537 E CA 3.413 59.965 56.400 0.252 0.000 0.800 537 E CB -0.137 29.730 29.700 0.277 0.000 0.758 537 E HN 0.646 9.052 8.360 0.076 0.000 0.448 538 H N -3.474 115.673 119.070 0.129 0.000 2.520 538 H HA -0.176 nan 4.556 nan 0.000 0.295 538 H C 0.195 175.701 175.328 0.296 0.000 1.096 538 H CA 2.128 58.256 56.048 0.134 0.000 1.249 538 H CB -1.050 28.685 29.762 -0.045 0.000 1.365 538 H HN 0.248 8.731 8.280 0.339 0.000 0.556 539 M N -2.266 117.394 119.600 0.099 0.000 2.475 539 M HA 0.192 nan 4.480 nan 0.000 0.283 539 M C -0.158 176.393 176.300 0.419 0.000 1.165 539 M CA -2.646 52.829 55.300 0.293 0.000 0.976 539 M CB -0.752 31.999 32.600 0.252 0.000 1.428 539 M HN -0.735 7.444 8.290 -0.084 0.060 0.495 540 L N 1.196 122.634 121.223 0.359 0.000 2.131 540 L HA -0.188 nan 4.340 nan 0.000 0.210 540 L C -1.110 175.806 176.870 0.077 0.000 1.092 540 L CA 2.827 57.818 54.840 0.250 0.000 0.759 540 L CB 0.485 42.670 42.059 0.210 0.000 0.903 540 L HN -0.143 8.152 8.230 0.404 0.178 0.435 541 I N -3.457 117.084 120.570 -0.047 0.000 2.478 541 I HA 0.192 nan 4.170 nan 0.000 0.287 541 I C -2.666 173.404 176.117 -0.078 0.000 1.042 541 I CA -3.318 57.894 61.300 -0.147 0.000 1.067 541 I CB 1.954 39.730 38.000 -0.374 0.000 1.233 541 I HN -0.546 7.658 8.210 0.024 0.020 0.431 542 P HA 0.004 nan 4.420 nan 0.000 0.270 542 P C -1.378 175.852 177.300 -0.118 0.000 1.221 542 P CA -0.234 62.820 63.100 -0.077 0.000 0.788 542 P CB 0.709 32.346 31.700 -0.105 0.000 0.904 543 R N 1.414 121.865 120.500 -0.082 0.000 2.127 543 R HA -0.377 nan 4.340 nan 0.000 0.238 543 R C 0.823 177.096 176.300 -0.045 0.000 1.134 543 R CA 1.898 57.917 56.100 -0.136 0.000 0.975 543 R CB 0.464 30.500 30.300 -0.440 0.000 0.865 543 R HN 0.233 8.834 8.270 -0.033 -0.351 0.447 544 G N -2.328 106.476 108.800 0.006 0.000 2.561 544 G HA2 -0.412 nan 3.960 nan 0.000 0.289 544 G HA3 -0.412 nan 3.960 nan 0.000 0.289 544 G C -1.057 173.914 174.900 0.119 0.000 1.169 544 G CA 0.191 45.388 45.100 0.163 0.000 0.980 544 G HN -0.522 7.739 8.290 0.010 0.035 0.550 545 S N -0.547 115.229 115.700 0.127 0.000 2.625 545 S HA 0.275 nan 4.470 nan 0.000 0.271 545 S C 0.188 174.882 174.600 0.158 0.000 1.161 545 S CA -1.039 57.230 58.200 0.114 0.000 0.820 545 S CB 2.817 66.059 63.200 0.071 0.000 1.137 545 S HN -0.463 7.928 8.310 0.135 0.000 0.470 546 H N 3.996 123.129 119.070 0.105 0.000 2.423 546 H HA -0.172 nan 4.556 nan 0.000 0.297 546 H C -0.410 174.951 175.328 0.055 0.000 1.075 546 H CA 2.362 58.469 56.048 0.097 0.000 1.342 546 H CB 0.325 30.139 29.762 0.086 0.000 1.395 546 H HN 0.661 9.082 8.280 0.235 0.000 0.530 547 K N -5.172 115.176 120.400 -0.087 0.000 2.147 547 K HA -0.188 nan 4.320 nan 0.000 0.205 547 K C 0.401 176.948 176.600 -0.087 0.000 1.049 547 K CA 0.474 56.699 56.287 -0.103 0.000 0.936 547 K CB -0.109 32.368 32.500 -0.038 0.000 0.722 547 K HN -0.216 8.028 8.250 0.025 0.021 0.446 548 G N 0.837 109.616 108.800 -0.035 0.000 3.055 548 G HA2 -0.289 nan 3.960 nan 0.000 0.654 548 G HA3 -0.289 nan 3.960 nan 0.000 0.654 548 G C -1.400 173.552 174.900 0.086 0.000 1.134 548 G CA -0.600 44.511 45.100 0.019 0.000 1.049 548 G HN -0.587 7.518 8.290 -0.021 0.172 0.458 549 M N 2.572 122.273 119.600 0.168 0.000 2.283 549 M HA 0.151 nan 4.480 nan 0.000 0.314 549 M C -2.083 174.443 176.300 0.378 0.000 1.153 549 M CA -0.468 54.979 55.300 0.245 0.000 1.084 549 M CB 3.177 35.963 32.600 0.309 0.000 1.468 549 M HN 0.199 8.594 8.290 0.175 0.000 0.474 550 E N 0.670 121.036 120.200 0.277 0.000 2.224 550 E HA 0.705 nan 4.350 nan 0.000 0.265 550 E C -1.451 175.139 176.600 -0.016 0.000 0.878 550 E CA -1.142 55.377 56.400 0.198 0.000 0.759 550 E CB 2.612 32.396 29.700 0.140 0.000 1.164 550 E HN 0.143 8.594 8.360 0.152 0.000 0.414 551 F N 4.517 124.451 119.950 -0.027 0.000 2.814 551 F HA 0.702 nan 4.527 nan 0.000 0.353 551 F C -1.335 174.436 175.800 -0.048 0.000 1.177 551 F CA -1.333 56.642 58.000 -0.041 0.000 1.036 551 F CB 5.004 43.993 39.000 -0.018 0.000 1.455 551 F HN 0.827 9.282 8.300 0.259 0.000 0.520 552 E N -0.393 119.923 120.200 0.193 0.000 2.265 552 E HA 0.350 nan 4.350 nan 0.000 0.262 552 E C -2.023 174.724 176.600 0.246 0.000 0.889 552 E CA -1.346 55.126 56.400 0.120 0.000 0.789 552 E CB 3.575 33.273 29.700 -0.003 0.000 1.221 552 E HN 0.534 8.983 8.360 0.289 0.084 0.414 553 L N 8.391 129.768 121.223 0.257 0.000 2.287 553 L HA 0.371 nan 4.340 nan 0.000 0.280 553 L C -2.181 174.948 176.870 0.431 0.000 1.055 553 L CA -0.759 54.301 54.840 0.367 0.000 0.863 553 L CB 0.984 43.253 42.059 0.350 0.000 1.245 553 L HN 0.070 8.412 8.230 0.187 0.000 0.432 554 F N 8.953 129.150 119.950 0.411 0.000 2.411 554 F HA 0.512 nan 4.527 nan 0.000 0.352 554 F C -1.817 174.233 175.800 0.418 0.000 1.123 554 F CA -2.800 55.440 58.000 0.399 0.000 1.044 554 F CB 2.052 41.332 39.000 0.465 0.000 1.135 554 F HN 0.388 9.008 8.300 0.739 0.123 0.461 555 V N 8.126 128.456 119.914 0.693 0.000 2.630 555 V HA 0.643 nan 4.120 nan 0.000 0.305 555 V C -2.068 174.204 176.094 0.296 0.000 1.046 555 V CA -1.849 60.687 62.300 0.393 0.000 0.934 555 V CB 2.613 34.584 31.823 0.245 0.000 1.003 555 V HN 0.973 9.493 8.190 0.743 0.115 0.451 556 M N 3.586 123.271 119.600 0.141 0.000 2.530 556 M HA 0.739 nan 4.480 nan 0.000 0.307 556 M C -2.237 174.055 176.300 -0.013 0.000 1.161 556 M CA -1.496 53.817 55.300 0.021 0.000 0.903 556 M CB 4.436 36.968 32.600 -0.112 0.000 1.711 556 M HN 0.670 9.048 8.290 0.146 0.000 0.451 557 L N 5.204 126.422 121.223 -0.008 0.000 2.316 557 L HA 0.592 nan 4.340 nan 0.000 0.280 557 L C -1.759 174.945 176.870 -0.277 0.000 1.006 557 L CA -0.650 54.140 54.840 -0.084 0.000 0.836 557 L CB 0.882 43.020 42.059 0.133 0.000 1.221 557 L HN 0.560 8.818 8.230 0.046 0.000 0.418 558 T N 4.788 119.085 114.554 -0.427 0.000 2.937 558 T HA 0.372 nan 4.350 nan 0.000 0.283 558 T C -1.525 172.594 174.700 -0.969 0.000 1.012 558 T CA -1.656 60.102 62.100 -0.569 0.000 0.997 558 T CB 2.017 70.757 68.868 -0.213 0.000 1.136 558 T HN 0.481 8.552 8.240 -0.282 0.000 0.551 559 D N 0.394 120.351 120.400 -0.737 0.000 2.255 559 D HA 0.231 nan 4.640 nan 0.000 0.249 559 D C 0.156 176.345 176.300 -0.185 0.000 1.078 559 D CA -0.531 53.187 54.000 -0.471 0.000 0.896 559 D CB 1.790 42.561 40.800 -0.048 0.000 1.194 559 D HN 0.310 8.414 8.370 -0.444 0.000 0.429 560 H N 5.471 124.497 119.070 -0.074 0.000 2.448 560 H HA -0.094 nan 4.556 nan 0.000 0.292 560 H C 2.050 177.286 175.328 -0.153 0.000 1.035 560 H CA 3.122 59.113 56.048 -0.095 0.000 1.349 560 H CB 0.949 30.693 29.762 -0.030 0.000 1.425 560 H HN 0.347 8.650 8.280 0.183 0.087 0.539 561 D N -1.169 119.151 120.400 -0.135 0.000 2.183 561 D HA -0.178 nan 4.640 nan 0.000 0.203 561 D C 1.317 177.508 176.300 -0.182 0.000 0.969 561 D CA 3.045 56.941 54.000 -0.173 0.000 0.842 561 D CB -0.261 40.517 40.800 -0.036 0.000 0.957 561 D HN -0.044 8.604 8.370 0.053 -0.246 0.484 562 E N 0.096 120.208 120.200 -0.147 0.000 2.006 562 E HA -0.263 nan 4.350 nan 0.000 0.192 562 E C 1.129 177.588 176.600 -0.235 0.000 0.993 562 E CA 2.453 58.758 56.400 -0.158 0.000 0.808 562 E CB 0.407 30.030 29.700 -0.128 0.000 0.764 562 E HN -0.765 7.754 8.360 -0.090 -0.213 0.449 563 D N -3.150 117.071 120.400 -0.300 0.000 2.178 563 D HA -0.053 nan 4.640 nan 0.000 0.201 563 D C 0.640 176.710 176.300 -0.384 0.000 0.980 563 D CA 1.778 55.584 54.000 -0.323 0.000 0.842 563 D CB 0.582 41.211 40.800 -0.286 0.000 0.948 563 D HN -0.304 7.784 8.370 -0.288 0.109 0.472 564 T N 0.921 115.127 114.554 -0.580 0.000 2.814 564 T HA -0.001 nan 4.350 nan 0.000 0.297 564 T C 0.497 175.034 174.700 -0.273 0.000 0.956 564 T CA 0.494 62.300 62.100 -0.490 0.000 1.123 564 T CB 0.419 68.921 68.868 -0.611 0.000 0.902 564 T HN -0.408 7.340 8.240 -0.669 0.091 0.528 565 V N 4.115 123.917 119.914 -0.186 0.000 2.694 565 V HA -0.031 nan 4.120 nan 0.000 0.306 565 V C -0.759 175.264 176.094 -0.118 0.000 1.054 565 V CA -0.438 61.788 62.300 -0.124 0.000 1.161 565 V CB 0.235 32.011 31.823 -0.079 0.000 0.916 565 V HN -0.317 7.765 8.190 -0.180 0.000 0.490 566 A N 4.790 127.552 122.820 -0.096 0.000 2.303 566 A HA 0.462 nan 4.320 nan 0.000 0.317 566 A C -0.632 176.918 177.584 -0.055 0.000 1.149 566 A CA -0.207 51.781 52.037 -0.081 0.000 0.822 566 A CB 1.098 20.052 19.000 -0.076 0.000 1.131 566 A HN 0.314 8.411 8.150 -0.088 0.000 0.493 567 G N -0.044 108.728 108.800 -0.047 0.000 2.313 567 G HA2 0.013 nan 3.960 nan 0.000 0.296 567 G HA3 0.013 nan 3.960 nan 0.000 0.296 567 G C -2.280 172.602 174.900 -0.029 0.000 1.356 567 G CA -0.099 44.982 45.100 -0.032 0.000 0.833 567 G HN -0.082 8.177 8.290 -0.052 0.000 0.552 568 L N 0.511 121.722 121.223 -0.020 0.000 2.406 568 L HA 0.410 nan 4.340 nan 0.000 0.270 568 L C -0.502 176.360 176.870 -0.012 0.000 0.982 568 L CA 0.279 55.109 54.840 -0.017 0.000 0.843 568 L CB 1.387 43.438 42.059 -0.015 0.000 1.225 568 L HN 0.277 8.497 8.230 -0.016 0.000 0.412 569 S N 3.757 119.449 115.700 -0.013 0.000 3.576 569 S HA 0.162 nan 4.470 nan 0.000 0.179 569 S C -0.935 173.659 174.600 -0.010 0.000 0.977 569 S CA -0.581 57.613 58.200 -0.010 0.000 1.189 569 S CB 0.838 64.032 63.200 -0.011 0.000 1.443 569 S HN 0.548 8.848 8.310 -0.016 0.000 0.874 570 E N 0.427 120.621 120.200 -0.010 0.000 2.446 570 E HA 0.207 nan 4.350 nan 0.000 0.269 570 E C -1.671 174.925 176.600 -0.007 0.000 0.977 570 E CA -0.305 56.090 56.400 -0.009 0.000 0.854 570 E CB 1.479 31.173 29.700 -0.009 0.000 1.545 570 E HN 0.042 8.396 8.360 -0.011 0.000 0.448 571 N N -0.307 118.390 118.700 -0.006 0.000 2.250 571 N HA -0.136 nan 4.740 nan 0.000 0.256 571 N C -1.420 174.091 175.510 0.003 0.000 1.302 571 N CA 0.079 53.128 53.050 -0.002 0.000 0.894 571 N CB 0.357 38.842 38.487 -0.003 0.000 1.067 571 N HN 0.014 8.389 8.380 -0.008 0.000 0.487 572 A N -1.865 120.958 122.820 0.006 0.000 2.404 572 A HA 0.046 nan 4.320 nan 0.000 0.273 572 A C -1.390 176.201 177.584 0.012 0.000 1.144 572 A CA 0.234 52.277 52.037 0.010 0.000 0.806 572 A CB 0.452 19.458 19.000 0.011 0.000 1.080 572 A HN 0.013 8.167 8.150 0.006 0.000 0.509 573 V N 4.094 124.017 119.914 0.016 0.000 5.000 573 V HA 0.167 nan 4.120 nan 0.000 0.311 573 V C -0.511 175.603 176.094 0.034 0.000 1.608 573 V CA -0.662 61.653 62.300 0.024 0.000 0.814 573 V CB 1.927 33.759 31.823 0.015 0.000 1.241 573 V HN -0.053 8.146 8.190 0.015 0.000 0.451 574 C N 3.698 123.024 119.300 0.044 0.000 3.424 574 C HA 0.234 nan 4.460 nan 0.000 0.577 574 C C 0.186 175.201 174.990 0.041 0.000 1.086 574 C CA -0.338 58.710 59.018 0.050 0.000 1.153 574 C CB -3.320 24.458 27.740 0.062 0.000 1.411 574 C HN 0.465 8.720 8.230 0.041 0.000 0.636 575 S N 3.285 119.004 115.700 0.033 0.000 2.559 575 S HA 0.148 nan 4.470 nan 0.000 0.226 575 S C 0.695 175.316 174.600 0.034 0.000 1.000 575 S CA 1.402 59.619 58.200 0.030 0.000 0.948 575 S CB 1.243 64.451 63.200 0.014 0.000 0.870 575 S HN 0.223 8.460 8.310 0.028 0.090 0.497 576 D N 3.036 123.457 120.400 0.034 0.000 2.103 576 D HA -0.248 nan 4.640 nan 0.000 0.190 576 D C 0.258 176.584 176.300 0.042 0.000 0.997 576 D CA 3.024 57.040 54.000 0.027 0.000 0.833 576 D CB -0.216 40.596 40.800 0.019 0.000 0.961 576 D HN -0.145 8.189 8.370 0.034 0.056 0.447 577 A N -0.773 122.095 122.820 0.080 0.000 2.728 577 A HA 0.093 nan 4.320 nan 0.000 0.258 577 A C 1.275 178.944 177.584 0.142 0.000 1.454 577 A CA -0.185 51.919 52.037 0.112 0.000 1.146 577 A CB -1.290 17.831 19.000 0.200 0.000 0.985 577 A HN -0.150 8.053 8.150 0.089 0.000 0.603 578 V N -2.297 117.669 119.914 0.087 0.000 2.380 578 V HA -0.437 nan 4.120 nan 0.000 0.251 578 V C 1.298 177.504 176.094 0.186 0.000 1.063 578 V CA 2.689 65.034 62.300 0.075 0.000 1.055 578 V CB -1.230 30.559 31.823 -0.055 0.000 0.657 578 V HN 0.204 8.350 8.190 0.050 0.075 0.455 579 S N 2.859 118.683 115.700 0.207 0.000 2.363 579 S HA -0.257 nan 4.470 nan 0.000 0.218 579 S C 1.623 176.627 174.600 0.673 0.000 1.035 579 S CA 3.129 61.589 58.200 0.432 0.000 1.043 579 S CB 0.079 63.373 63.200 0.156 0.000 0.986 579 S HN 0.134 8.497 8.310 0.089 0.000 0.423 580 Y N -2.583 117.929 120.300 0.352 0.000 2.583 580 Y HA 0.026 nan 4.550 nan 0.000 0.293 580 Y C 0.078 176.286 175.900 0.513 0.000 1.157 580 Y CA -0.079 58.205 58.100 0.307 0.000 1.315 580 Y CB -0.299 38.226 38.460 0.109 0.000 1.021 580 Y HN 0.081 8.517 8.280 0.260 0.000 0.536 581 C N -4.831 114.882 119.300 0.687 0.000 3.217 581 C HA 0.400 nan 4.460 nan 0.000 0.220 581 C C -0.826 174.459 174.990 0.492 0.000 2.519 581 C CA -0.001 59.413 59.018 0.661 0.000 1.255 581 C CB 3.198 31.289 27.740 0.585 0.000 1.291 581 C HN -0.569 7.915 8.230 0.604 0.108 0.714 582 G N -0.789 108.228 108.800 0.362 0.000 2.240 582 G HA2 -0.092 nan 3.960 nan 0.000 0.199 582 G HA3 -0.092 nan 3.960 nan 0.000 0.199 582 G C -2.722 172.262 174.900 0.139 0.000 1.342 582 G CA 0.173 45.429 45.100 0.261 0.000 1.145 582 G HN 0.141 8.521 8.290 0.323 0.104 0.477 583 A N -0.354 122.524 122.820 0.095 0.000 2.609 583 A HA 0.215 nan 4.320 nan 0.000 0.291 583 A C -1.750 175.849 177.584 0.025 0.000 1.096 583 A CA -0.748 51.316 52.037 0.045 0.000 0.684 583 A CB 2.505 21.517 19.000 0.019 0.000 1.282 583 A HN 0.060 8.279 8.150 0.115 0.000 0.412 584 R N -0.365 120.137 120.500 0.004 0.000 2.407 584 R HA 0.112 nan 4.340 nan 0.000 0.303 584 R C -0.651 175.641 176.300 -0.014 0.000 0.981 584 R CA 0.018 56.107 56.100 -0.018 0.000 0.905 584 R CB 0.759 31.039 30.300 -0.034 0.000 1.099 584 R HN 0.447 8.722 8.270 0.007 0.000 0.459 585 D N 0.547 120.935 120.400 -0.020 0.000 2.713 585 D HA -0.320 nan 4.640 nan 0.000 0.231 585 D C -1.470 174.831 176.300 0.002 0.000 1.173 585 D CA 1.531 55.526 54.000 -0.009 0.000 0.628 585 D CB -0.449 40.349 40.800 -0.004 0.000 1.033 585 D HN 0.283 8.631 8.370 -0.037 0.000 0.419 586 D N -2.073 118.333 120.400 0.009 0.000 2.732 586 D HA 0.241 nan 4.640 nan 0.000 0.292 586 D C -1.617 174.702 176.300 0.032 0.000 1.135 586 D CA -1.553 52.454 54.000 0.012 0.000 1.071 586 D CB 2.472 43.274 40.800 0.002 0.000 1.457 586 D HN -0.457 7.906 8.370 0.012 0.015 0.547 587 R N -0.246 120.272 120.500 0.031 0.000 2.719 587 R HA 0.173 nan 4.340 nan 0.000 0.233 587 R C -0.933 175.419 176.300 0.086 0.000 1.257 587 R CA -0.989 55.150 56.100 0.065 0.000 1.109 587 R CB 2.037 32.365 30.300 0.047 0.000 1.447 587 R HN 0.156 8.432 8.270 0.010 0.000 0.537 588 Y N 1.437 121.750 120.300 0.021 0.000 2.637 588 Y HA 0.144 nan 4.550 nan 0.000 0.350 588 Y C -0.721 175.174 175.900 -0.009 0.000 1.069 588 Y CA -1.688 56.424 58.100 0.020 0.000 1.397 588 Y CB 0.408 38.875 38.460 0.012 0.000 1.163 588 Y HN 0.238 8.657 8.280 0.232 0.000 0.527 589 P HA -0.277 nan 4.420 nan 0.000 0.227 589 P C -1.628 175.570 177.300 -0.169 0.000 1.145 589 P CA 1.388 64.360 63.100 -0.214 0.000 0.769 589 P CB -0.106 31.464 31.700 -0.218 0.000 0.769 590 D N -3.510 116.805 120.400 -0.141 0.000 2.391 590 D HA 0.191 nan 4.640 nan 0.000 0.245 590 D C -0.511 175.796 176.300 0.012 0.000 1.069 590 D CA -2.268 51.697 54.000 -0.058 0.000 0.831 590 D CB 2.577 43.387 40.800 0.018 0.000 1.204 590 D HN -0.522 7.670 8.370 -0.103 0.116 0.503 591 K N 6.337 126.673 120.400 -0.106 0.000 2.059 591 K HA -0.348 nan 4.320 nan 0.000 0.212 591 K C 0.619 177.116 176.600 -0.172 0.000 1.050 591 K CA 1.939 58.141 56.287 -0.141 0.000 0.927 591 K CB 0.264 32.641 32.500 -0.206 0.000 0.714 591 K HN -0.071 8.086 8.250 -0.155 0.000 0.447 592 K N -2.334 117.909 120.400 -0.261 0.000 2.168 592 K HA -0.022 nan 4.320 nan 0.000 0.258 592 K C -0.089 176.391 176.600 -0.200 0.000 1.010 592 K CA -0.475 55.578 56.287 -0.389 0.000 0.929 592 K CB 0.578 32.525 32.500 -0.921 0.000 0.998 592 K HN -0.619 7.766 8.250 -0.234 -0.276 0.479 593 A N 2.180 124.909 122.820 -0.151 0.000 2.540 593 A HA -0.061 nan 4.320 nan 0.000 0.239 593 A C -0.128 177.385 177.584 -0.118 0.000 1.061 593 A CA 0.430 52.418 52.037 -0.081 0.000 0.758 593 A CB 0.479 19.515 19.000 0.060 0.000 0.991 593 A HN 0.437 8.485 8.150 -0.170 0.000 0.502 594 M N 3.483 122.856 119.600 -0.378 0.000 2.427 594 M HA -0.282 nan 4.480 nan 0.000 0.345 594 M C 0.869 176.877 176.300 -0.486 0.000 1.653 594 M CA 1.951 56.780 55.300 -0.785 0.000 1.138 594 M CB -0.591 31.053 32.600 -1.593 0.000 1.995 594 M HN 0.430 8.482 8.290 -0.396 0.000 0.459 595 G N 1.328 110.097 108.800 -0.051 0.000 3.134 595 G HA2 -0.192 nan 3.960 nan 0.000 0.195 595 G HA3 -0.192 nan 3.960 nan 0.000 0.195 595 G C -0.677 174.406 174.900 0.304 0.000 1.054 595 G CA -0.535 44.755 45.100 0.316 0.000 0.828 595 G HN -0.062 8.218 8.290 -0.016 0.000 0.462 596 F N 5.391 125.359 119.950 0.029 0.000 2.548 596 F HA -0.149 nan 4.527 nan 0.000 0.403 596 F C -1.786 173.847 175.800 -0.278 0.000 1.004 596 F CA -0.259 57.649 58.000 -0.153 0.000 1.177 596 F CB 0.836 39.735 39.000 -0.168 0.000 0.974 596 F HN -0.324 8.146 8.300 0.282 0.000 0.541 597 P HA -0.199 nan 4.420 nan 0.000 0.223 597 P C 0.032 176.778 177.300 -0.924 0.000 1.151 597 P CA 2.005 64.092 63.100 -1.688 0.000 0.787 597 P CB 0.144 30.784 31.700 -1.768 0.000 0.788 598 F N -2.287 117.408 119.950 -0.426 0.000 2.757 598 F HA 0.047 nan 4.527 nan 0.000 0.292 598 F C -0.065 175.713 175.800 -0.036 0.000 1.204 598 F CA -0.973 56.818 58.000 -0.347 0.000 1.417 598 F CB -1.969 36.605 39.000 -0.710 0.000 1.001 598 F HN 0.129 7.794 8.300 -0.834 0.135 0.508 599 D N 0.307 120.820 120.400 0.188 0.000 2.137 599 D HA -0.159 nan 4.640 nan 0.000 0.202 599 D C 0.592 177.005 176.300 0.188 0.000 0.970 599 D CA 2.438 56.597 54.000 0.265 0.000 0.837 599 D CB 0.246 41.240 40.800 0.323 0.000 0.981 599 D HN -0.079 8.271 8.370 0.141 0.105 0.475 600 R N -1.413 119.176 120.500 0.147 0.000 2.602 600 R HA 0.169 nan 4.340 nan 0.000 0.237 600 R C -1.315 174.983 176.300 -0.003 0.000 1.219 600 R CA -1.108 55.006 56.100 0.023 0.000 1.121 600 R CB 1.693 31.910 30.300 -0.137 0.000 1.408 600 R HN -0.887 7.521 8.270 0.230 0.000 0.559 601 K N -0.237 120.139 120.400 -0.039 0.000 2.401 601 K HA -0.130 nan 4.320 nan 0.000 0.278 601 K C -0.151 176.436 176.600 -0.023 0.000 1.018 601 K CA 0.891 57.161 56.287 -0.029 0.000 0.981 601 K CB 0.130 32.610 32.500 -0.033 0.000 0.933 601 K HN 0.184 8.396 8.250 -0.063 0.000 0.477 602 I N 6.665 127.210 120.570 -0.042 0.000 2.389 602 I HA -0.006 nan 4.170 nan 0.000 0.288 602 I C -0.997 175.119 176.117 -0.002 0.000 0.999 602 I CA -0.679 60.588 61.300 -0.055 0.000 1.129 602 I CB 1.068 38.926 38.000 -0.237 0.000 1.288 602 I HN 0.327 8.852 8.210 -0.040 -0.339 0.444 603 E N 6.290 126.517 120.200 0.046 0.000 2.481 603 E HA -0.088 nan 4.350 nan 0.000 0.195 603 E C -0.367 176.267 176.600 0.056 0.000 1.047 603 E CA 0.399 56.828 56.400 0.048 0.000 0.867 603 E CB 0.352 30.090 29.700 0.062 0.000 0.858 603 E HN 0.433 8.839 8.360 0.076 0.000 0.513 604 A N -2.096 120.770 122.820 0.076 0.000 2.316 604 A HA 0.262 nan 4.320 nan 0.000 0.284 604 A C 0.046 177.665 177.584 0.058 0.000 1.115 604 A CA -0.031 52.061 52.037 0.092 0.000 0.812 604 A CB 0.920 20.024 19.000 0.172 0.000 1.064 604 A HN -0.400 7.722 8.150 0.079 0.075 0.489 605 R N -1.523 119.009 120.500 0.054 0.000 2.290 605 R HA 0.140 nan 4.340 nan 0.000 0.197 605 R C 0.047 176.365 176.300 0.031 0.000 0.913 605 R CA -0.306 55.813 56.100 0.030 0.000 1.040 605 R CB 0.251 30.564 30.300 0.022 0.000 0.992 605 R HN -0.098 8.675 8.270 0.064 -0.465 0.500 606 T N -1.900 112.689 114.554 0.058 0.000 2.893 606 T HA 0.328 nan 4.350 nan 0.000 0.291 606 T C -0.642 174.137 174.700 0.132 0.000 1.028 606 T CA -1.761 60.375 62.100 0.060 0.000 0.995 606 T CB 2.882 71.770 68.868 0.033 0.000 1.051 606 T HN -0.651 7.851 8.240 0.076 -0.216 0.470 607 A N 7.776 130.680 122.820 0.141 0.000 2.093 607 A HA -0.239 nan 4.320 nan 0.000 0.222 607 A C 0.628 178.362 177.584 0.250 0.000 1.162 607 A CA 2.904 55.117 52.037 0.295 0.000 0.655 607 A CB -0.235 18.905 19.000 0.233 0.000 0.805 607 A HN 0.540 8.737 8.150 0.079 0.000 0.461 608 A N -2.396 120.488 122.820 0.107 0.000 1.929 608 A HA -0.209 nan 4.320 nan 0.000 0.216 608 A C 2.396 180.067 177.584 0.144 0.000 1.176 608 A CA 2.297 54.381 52.037 0.078 0.000 0.628 608 A CB 0.114 19.129 19.000 0.025 0.000 0.816 608 A HN -0.274 7.889 8.150 0.067 0.028 0.444 609 E N -0.167 120.135 120.200 0.169 0.000 2.153 609 E HA -0.321 nan 4.350 nan 0.000 0.194 609 E C 1.759 178.506 176.600 0.245 0.000 0.988 609 E CA 2.347 58.850 56.400 0.172 0.000 0.811 609 E CB -0.138 29.657 29.700 0.158 0.000 0.746 609 E HN -0.430 7.914 8.360 0.159 0.112 0.466 610 F N -2.652 117.392 119.950 0.155 0.000 2.699 610 F HA -0.171 nan 4.527 nan 0.000 0.298 610 F C -0.543 175.386 175.800 0.214 0.000 1.154 610 F CA 0.590 58.701 58.000 0.184 0.000 1.457 610 F CB 0.753 39.911 39.000 0.263 0.000 1.106 610 F HN -0.930 7.631 8.300 0.464 0.018 0.585 611 L N 1.125 122.499 121.223 0.252 0.000 2.530 611 L HA -0.152 nan 4.340 nan 0.000 0.273 611 L C -0.910 175.978 176.870 0.031 0.000 1.141 611 L CA 0.136 55.081 54.840 0.173 0.000 0.905 611 L CB 0.314 42.451 42.059 0.130 0.000 1.202 611 L HN -0.706 7.488 8.230 0.261 0.193 0.473 612 T N 3.579 118.116 114.554 -0.028 0.000 2.918 612 T HA 0.483 nan 4.350 nan 0.000 0.283 612 T C -0.676 174.040 174.700 0.026 0.000 1.001 612 T CA -2.938 59.141 62.100 -0.035 0.000 1.041 612 T CB -0.089 68.721 68.868 -0.095 0.000 1.028 612 T HN -0.418 7.784 8.240 -0.064 0.000 0.511 613 P HA -0.047 nan 4.420 nan 0.000 0.236 613 P C -0.990 176.348 177.300 0.064 0.000 1.172 613 P CA 1.547 64.671 63.100 0.040 0.000 0.759 613 P CB -0.403 31.309 31.700 0.020 0.000 0.843 614 N N -6.267 112.481 118.700 0.080 0.000 2.328 614 N HA 0.097 nan 4.740 nan 0.000 0.247 614 N C -1.799 173.780 175.510 0.115 0.000 1.165 614 N CA -1.021 52.105 53.050 0.127 0.000 0.873 614 N CB 0.136 38.751 38.487 0.212 0.000 1.125 614 N HN 0.194 8.534 8.380 0.056 0.074 0.513 615 M N -0.771 118.914 119.600 0.141 0.000 2.619 615 M HA 0.529 nan 4.480 nan 0.000 0.297 615 M C -1.461 175.021 176.300 0.303 0.000 1.229 615 M CA -0.355 55.107 55.300 0.270 0.000 0.860 615 M CB 5.332 38.142 32.600 0.350 0.000 1.741 615 M HN -0.002 8.212 8.290 0.123 0.150 0.462 616 G N 0.204 109.243 108.800 0.398 0.000 2.635 616 G HA2 0.223 nan 3.960 nan 0.000 0.295 616 G HA3 0.223 nan 3.960 nan 0.000 0.295 616 G C -3.003 171.935 174.900 0.063 0.000 1.359 616 G CA 0.403 45.598 45.100 0.159 0.000 1.232 616 G HN 0.234 8.931 8.290 0.678 0.000 0.597 617 L N 3.379 124.463 121.223 -0.232 0.000 2.292 617 L HA 0.577 nan 4.340 nan 0.000 0.284 617 L C -0.635 176.212 176.870 -0.038 0.000 1.065 617 L CA -0.407 54.283 54.840 -0.250 0.000 0.806 617 L CB 1.186 42.994 42.059 -0.418 0.000 1.175 617 L HN 0.264 8.349 8.230 -0.242 0.000 0.431 618 T N 6.323 120.914 114.554 0.062 0.000 2.892 618 T HA 0.283 nan 4.350 nan 0.000 0.311 618 T C -1.303 173.446 174.700 0.080 0.000 1.033 618 T CA -0.661 61.488 62.100 0.082 0.000 0.991 618 T CB 0.906 69.862 68.868 0.147 0.000 0.981 618 T HN 0.448 8.641 8.240 0.114 0.116 0.457 619 D N 6.184 126.605 120.400 0.036 0.000 2.371 619 D HA 0.045 nan 4.640 nan 0.000 0.256 619 D C -0.731 175.602 176.300 0.055 0.000 1.193 619 D CA -0.166 53.852 54.000 0.030 0.000 0.881 619 D CB 0.275 41.062 40.800 -0.021 0.000 1.143 619 D HN 0.210 8.591 8.370 0.018 0.000 0.473 620 I N -3.719 116.904 120.570 0.089 0.000 2.785 620 I HA 0.480 nan 4.170 nan 0.000 0.302 620 I C -1.455 174.731 176.117 0.115 0.000 1.069 620 I CA -2.879 58.467 61.300 0.077 0.000 1.045 620 I CB 3.393 41.422 38.000 0.049 0.000 1.236 620 I HN -0.436 7.844 8.210 0.116 0.000 0.429 621 K N 1.201 121.639 120.400 0.062 0.000 2.118 621 K HA 0.749 nan 4.320 nan 0.000 0.254 621 K C -1.006 175.585 176.600 -0.015 0.000 0.961 621 K CA -2.335 54.000 56.287 0.081 0.000 0.876 621 K CB 1.818 34.345 32.500 0.046 0.000 1.077 621 K HN 0.420 8.573 8.250 0.025 0.112 0.440 622 I N 1.124 121.692 120.570 -0.004 0.000 2.498 622 I HA 0.552 nan 4.170 nan 0.000 0.290 622 I C -2.067 174.047 176.117 -0.004 0.000 1.032 622 I CA -0.974 60.264 61.300 -0.103 0.000 1.073 622 I CB 2.962 40.786 38.000 -0.293 0.000 1.251 622 I HN 0.720 9.005 8.210 0.124 0.000 0.426 623 K N 3.426 123.823 120.400 -0.005 0.000 2.471 623 K HA 0.555 nan 4.320 nan 0.000 0.252 623 K C -1.595 175.066 176.600 0.102 0.000 0.938 623 K CA -2.370 53.937 56.287 0.034 0.000 0.796 623 K CB 3.037 35.519 32.500 -0.031 0.000 1.161 623 K HN 0.516 8.747 8.250 -0.032 0.000 0.425 624 F N 6.652 126.618 119.950 0.027 0.000 2.502 624 F HA -0.045 nan 4.527 nan 0.000 0.371 624 F C -1.472 174.423 175.800 0.158 0.000 1.083 624 F CA -1.166 56.865 58.000 0.053 0.000 1.174 624 F CB 0.555 39.556 39.000 0.001 0.000 1.096 624 F HN 0.303 8.635 8.300 0.270 0.130 0.545 625 H N 10.808 129.511 119.070 -0.612 0.000 3.215 625 H HA -0.052 nan 4.556 nan 0.000 0.253 625 H C -0.303 174.378 175.328 -1.078 0.000 1.102 625 H CA -0.011 55.693 56.048 -0.573 0.000 1.482 625 H CB -0.177 29.360 29.762 -0.376 0.000 1.542 625 H HN 0.166 8.134 8.280 -0.348 0.104 0.498 626 G N 0.000 108.210 108.800 -0.983 0.000 5.446 626 G HA2 0.000 nan 3.960 nan 0.000 0.244 626 G HA3 0.000 nan 3.960 nan 0.000 0.244 626 G CA 0.000 44.667 45.100 -0.721 0.000 0.502 626 G HN 0.000 7.994 8.290 -0.493 0.000 0.925