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 1ji1_1_B DATA FIRST_RESID 1 DATA SEQUENCE AANDNNVEWN GLFHDQGPLF DNAPEPTSTQ SVTLKLRTFK GDITSANIKY DATA SEQUENCE WDTADNAFHW VPMVWDSNDP TGTFDYWKGT IPASPSIKYY RFQINDGTST DATA SEQUENCE AWYNGNGPSS TEPNADDFYI IPNFKTPDWL KNGVMYQIFP DRFYNGDSSN DATA SEQUENCE DVQTGSYTYN GTPTEKKAWG SSVYADPGYD NSLVFFGGDL AGIDQKLGYI DATA SEQUENCE KKTLGANILY LNPIFKAPTN HKYDTQDYMA VDPAFGDNST LQTLINDIHS DATA SEQUENCE TANGPKGYLI LDGVFNHTGD SHPWFDKYNN FSSQGAYESQ SSPWYNYYTF DATA SEQUENCE YTWPDSYASF LGFNSLPKLN YGNSGSAVRG VIYNNSNSVA KTYLNPPYSV DATA SEQUENCE DGWRLDAAQY VDANGNNGSD VTNHQIWSEF RNAVKGVNSN AAIIGEYWGN DATA SEQUENCE ANPWTAQGNQ WDAATNFDGF TQPVSEWITG KDYQNNSASI STTQFDSWLR DATA SEQUENCE GTRANYPTNV QQSMMNFLSN HDITRFATRS GGDLWKTYLA LIFQMTYVGT DATA SEQUENCE PTIYYGDEYG MQGGADPDNR RSFDWSQATP SNSAVALTQK LITIRNQYPA DATA SEQUENCE LRTGSFMTLI TDDTNKIYSY GRFDNVNRIA VVLNNDSVSH TVNVPVWQLS DATA SEQUENCE MPNGSTVTDK ITGHSYTVQN GMVTVAVDGH YGAVLAQ 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.574 177.584 -0.017 0.000 1.274 1 A CA 0.000 51.982 52.037 -0.091 0.000 0.836 1 A CB 0.000 19.019 19.000 0.032 0.000 0.831 2 A N 0.025 122.863 122.820 0.029 0.000 2.467 2 A HA 0.740 5.060 4.320 0.000 0.000 0.301 2 A C -1.700 175.918 177.584 0.056 0.000 1.126 2 A CA -0.694 51.364 52.037 0.034 0.000 0.632 2 A CB 0.568 19.572 19.000 0.006 0.000 1.331 2 A HN 0.836 nan 8.150 nan 0.000 0.482 3 N N 2.353 121.083 118.700 0.050 0.000 2.482 3 N HA 0.318 5.058 4.740 0.000 0.000 0.242 3 N C -1.169 174.364 175.510 0.038 0.000 1.100 3 N CA 0.186 53.268 53.050 0.054 0.000 0.946 3 N CB 0.642 39.162 38.487 0.054 0.000 1.227 3 N HN 0.616 nan 8.380 nan 0.000 0.508 4 D N 0.450 120.874 120.400 0.040 0.000 2.760 4 D HA 0.070 4.710 4.640 0.000 0.000 0.314 4 D C -0.379 175.941 176.300 0.033 0.000 1.464 4 D CA -0.511 53.507 54.000 0.030 0.000 0.797 4 D CB -0.376 40.438 40.800 0.023 0.000 1.149 4 D HN 0.040 nan 8.370 nan 0.000 0.455 5 N N 1.356 120.078 118.700 0.038 0.000 2.727 5 N HA -0.222 4.518 4.740 0.000 0.000 0.249 5 N C -0.922 174.615 175.510 0.046 0.000 1.048 5 N CA 0.865 53.938 53.050 0.038 0.000 0.714 5 N CB -1.513 36.993 38.487 0.031 0.000 0.959 5 N HN 0.705 nan 8.380 nan 0.000 0.544 6 N N -0.519 118.216 118.700 0.059 0.000 2.616 6 N HA 0.140 4.880 4.740 0.000 0.000 0.281 6 N C -1.281 174.298 175.510 0.114 0.000 1.145 6 N CA -0.340 52.755 53.050 0.075 0.000 0.919 6 N CB 1.307 39.828 38.487 0.056 0.000 1.509 6 N HN -0.153 nan 8.380 nan 0.000 0.537 7 V N 3.123 123.127 119.914 0.151 0.000 2.408 7 V HA 0.158 4.278 4.120 0.000 0.000 0.267 7 V C 0.323 176.605 176.094 0.312 0.000 1.047 7 V CA -0.138 62.287 62.300 0.208 0.000 0.937 7 V CB 0.855 32.805 31.823 0.211 0.000 0.999 7 V HN 0.547 nan 8.190 nan 0.000 0.472 8 E N 4.903 125.299 120.200 0.327 0.000 2.052 8 E HA 0.045 4.395 4.350 0.000 0.000 0.283 8 E C -0.193 176.692 176.600 0.476 0.000 1.071 8 E CA -0.306 56.335 56.400 0.401 0.000 0.851 8 E CB 0.588 30.600 29.700 0.520 0.000 1.066 8 E HN 0.707 nan 8.360 nan 0.000 0.396 9 W N 2.765 124.169 121.300 0.173 0.000 2.321 9 W HA -0.199 4.461 4.660 0.000 0.000 0.306 9 W C 1.474 178.079 176.519 0.144 0.000 1.217 9 W CA 0.840 58.279 57.345 0.158 0.000 1.257 9 W CB -0.802 28.753 29.460 0.158 0.000 1.145 9 W HN 0.607 nan 8.180 nan 0.000 0.509 10 N N -1.133 117.820 118.700 0.423 0.000 2.348 10 N HA -0.112 4.628 4.740 0.000 0.000 0.185 10 N C 1.848 177.358 175.510 -0.000 0.000 1.019 10 N CA 1.026 54.264 53.050 0.313 0.000 0.880 10 N CB -0.600 38.179 38.487 0.487 0.000 0.965 10 N HN 0.183 nan 8.380 nan 0.000 0.437 11 G N 0.179 108.766 108.800 -0.356 0.000 2.939 11 G HA2 0.149 4.109 3.960 0.000 0.000 0.210 11 G HA3 0.149 4.109 3.960 0.000 0.000 0.210 11 G C 0.428 175.160 174.900 -0.280 0.000 1.160 11 G CA -0.241 44.309 45.100 -0.917 0.000 0.770 11 G HN 0.049 nan 8.290 nan 0.000 0.543 12 L N 0.232 121.398 121.223 -0.096 0.000 2.395 12 L HA 0.652 4.992 4.340 0.000 0.000 0.269 12 L C -0.662 176.153 176.870 -0.092 0.000 1.133 12 L CA -0.592 54.167 54.840 -0.134 0.000 0.812 12 L CB 1.101 43.092 42.059 -0.114 0.000 1.125 12 L HN 0.066 nan 8.230 nan 0.000 0.452 13 F N 2.554 122.182 119.950 -0.536 0.000 2.680 13 F HA 0.426 4.953 4.527 -0.000 0.000 0.315 13 F C -1.057 174.297 175.800 -0.743 0.000 1.099 13 F CA -0.552 57.125 58.000 -0.537 0.000 1.033 13 F CB 1.112 39.893 39.000 -0.365 0.000 1.285 13 F HN 0.514 nan 8.300 nan 0.000 0.457 14 H N 4.211 122.219 119.070 -1.770 0.000 3.112 14 H HA 0.488 5.044 4.556 0.000 0.000 0.347 14 H C -2.225 172.452 175.328 -1.085 0.000 1.188 14 H CA -0.263 54.963 56.048 -1.370 0.000 1.240 14 H CB 2.313 31.535 29.762 -0.900 0.000 1.920 14 H HN 0.806 nan 8.280 nan 0.000 0.535 15 D N 2.048 121.536 120.400 -1.520 0.000 2.713 15 D HA 0.022 4.662 4.640 0.000 0.000 0.306 15 D C -0.560 175.307 176.300 -0.720 0.000 1.299 15 D CA -0.500 53.048 54.000 -0.753 0.000 0.823 15 D CB 0.664 41.338 40.800 -0.210 0.000 1.353 15 D HN 0.551 nan 8.370 nan 0.000 0.447 16 Q N -0.043 119.609 119.800 -0.245 0.000 2.228 16 Q HA 0.366 4.706 4.340 0.000 0.000 0.211 16 Q C 0.845 176.827 176.000 -0.030 0.000 0.890 16 Q CA -0.219 55.524 55.803 -0.101 0.000 0.953 16 Q CB 0.704 29.465 28.738 0.038 0.000 1.053 16 Q HN 0.495 nan 8.270 nan 0.000 0.471 17 G N 2.087 110.885 108.800 -0.003 0.000 2.667 17 G HA2 0.035 3.995 3.960 0.000 0.000 0.250 17 G HA3 0.035 3.995 3.960 0.000 0.000 0.250 17 G C -1.455 173.417 174.900 -0.046 0.000 1.212 17 G CA -0.940 44.148 45.100 -0.020 0.000 0.874 17 G HN 0.015 nan 8.290 nan 0.000 0.561 18 P HA -0.143 nan 4.420 nan 0.000 0.217 18 P C 1.819 178.974 177.300 -0.242 0.000 1.148 18 P CA 1.051 64.065 63.100 -0.143 0.000 0.828 18 P CB 0.175 31.799 31.700 -0.128 0.000 0.783 19 L N -2.754 118.226 121.223 -0.405 0.000 2.376 19 L HA -0.007 4.333 4.340 0.000 0.000 0.219 19 L C 1.785 178.081 176.870 -0.956 0.000 1.133 19 L CA 1.036 55.424 54.840 -0.755 0.000 0.816 19 L CB -0.476 40.959 42.059 -1.040 0.000 0.933 19 L HN -0.109 nan 8.230 nan 0.000 0.449 20 F N -2.456 117.402 119.950 -0.153 0.000 2.728 20 F HA 0.275 4.802 4.527 0.000 0.000 0.314 20 F C 0.312 176.067 175.800 -0.074 0.000 1.094 20 F CA -0.541 57.379 58.000 -0.132 0.000 1.217 20 F CB 0.554 39.407 39.000 -0.243 0.000 1.056 20 F HN -0.163 nan 8.300 nan 0.000 0.577 21 D N 0.424 120.845 120.400 0.034 0.000 2.763 21 D HA 0.100 4.740 4.640 0.000 0.000 0.235 21 D C 0.116 176.403 176.300 -0.022 0.000 1.334 21 D CA -0.116 53.908 54.000 0.039 0.000 0.950 21 D CB 0.921 41.757 40.800 0.060 0.000 1.433 21 D HN 0.043 nan 8.370 nan 0.000 0.580 22 N N 2.555 121.234 118.700 -0.034 0.000 2.398 22 N HA 0.075 4.815 4.740 0.000 0.000 0.188 22 N C -0.311 175.176 175.510 -0.038 0.000 1.122 22 N CA -0.126 52.894 53.050 -0.051 0.000 0.866 22 N CB 0.481 38.933 38.487 -0.059 0.000 0.970 22 N HN 0.261 nan 8.380 nan 0.000 0.462 23 A N 1.100 123.906 122.820 -0.023 0.000 3.158 23 A HA 0.379 4.699 4.320 0.000 0.000 0.302 23 A C -2.017 175.569 177.584 0.004 0.000 1.162 23 A CA -0.837 51.190 52.037 -0.017 0.000 0.824 23 A CB 1.027 20.014 19.000 -0.022 0.000 1.322 23 A HN 0.043 nan 8.150 nan 0.000 0.510 24 P HA -0.067 nan 4.420 nan 0.000 0.221 24 P C 0.161 177.465 177.300 0.008 0.000 1.150 24 P CA 1.212 64.322 63.100 0.015 0.000 0.800 24 P CB 0.404 32.097 31.700 -0.011 0.000 0.787 25 E N 0.701 120.891 120.200 -0.017 0.000 3.666 25 E HA 0.235 4.585 4.350 0.000 0.000 0.230 25 E C -2.347 174.248 176.600 -0.009 0.000 1.235 25 E CA -1.642 54.742 56.400 -0.028 0.000 1.096 25 E CB 0.897 30.545 29.700 -0.087 0.000 1.287 25 E HN 0.352 nan 8.360 nan 0.000 0.406 26 P HA 0.020 nan 4.420 nan 0.000 0.274 26 P C 0.236 177.545 177.300 0.015 0.000 1.231 26 P CA -0.110 62.993 63.100 0.005 0.000 0.790 26 P CB 1.260 32.960 31.700 0.001 0.000 0.951 27 T N -1.824 112.734 114.554 0.007 0.000 2.810 27 T HA 0.161 4.511 4.350 0.000 0.000 0.277 27 T C 1.416 176.120 174.700 0.006 0.000 0.973 27 T CA -0.382 61.726 62.100 0.012 0.000 0.949 27 T CB -0.299 68.574 68.868 0.007 0.000 1.075 27 T HN 0.258 nan 8.240 nan 0.000 0.537 28 S N 0.376 116.080 115.700 0.007 0.000 2.442 28 S HA -0.049 4.421 4.470 0.000 0.000 0.236 28 S C 1.877 176.471 174.600 -0.011 0.000 1.007 28 S CA 1.404 59.603 58.200 -0.001 0.000 0.965 28 S CB -0.704 62.497 63.200 0.002 0.000 0.773 28 S HN 0.982 nan 8.310 nan 0.000 0.504 29 T N -1.017 113.531 114.554 -0.010 0.000 3.092 29 T HA 0.292 4.642 4.350 0.000 0.000 0.258 29 T C 0.122 174.810 174.700 -0.019 0.000 1.031 29 T CA -0.341 61.750 62.100 -0.014 0.000 0.925 29 T CB 0.047 68.909 68.868 -0.010 0.000 1.036 29 T HN 0.188 nan 8.240 nan 0.000 0.544 30 Q N 2.515 122.302 119.800 -0.021 0.000 2.325 30 Q HA 0.510 4.850 4.340 0.000 0.000 0.262 30 Q C -0.200 175.776 176.000 -0.039 0.000 0.968 30 Q CA -0.650 55.137 55.803 -0.026 0.000 0.877 30 Q CB 1.795 30.521 28.738 -0.021 0.000 1.253 30 Q HN 0.539 nan 8.270 nan 0.000 0.448 31 S N 0.713 116.385 115.700 -0.046 0.000 2.614 31 S HA 0.462 4.932 4.470 0.000 0.000 0.265 31 S C 0.080 174.638 174.600 -0.070 0.000 1.303 31 S CA -0.749 57.411 58.200 -0.066 0.000 1.000 31 S CB 1.003 64.166 63.200 -0.062 0.000 0.935 31 S HN 0.346 nan 8.310 nan 0.000 0.551 32 V N 2.100 121.955 119.914 -0.099 0.000 2.350 32 V HA 0.370 4.490 4.120 0.000 0.000 0.285 32 V C -0.017 176.010 176.094 -0.112 0.000 1.014 32 V CA -0.584 61.659 62.300 -0.095 0.000 0.831 32 V CB 1.063 32.822 31.823 -0.106 0.000 1.000 32 V HN 1.032 nan 8.190 nan 0.000 0.433 33 T N 7.215 121.723 114.554 -0.076 0.000 2.744 33 T HA 0.644 4.994 4.350 0.000 0.000 0.291 33 T C -0.217 174.460 174.700 -0.039 0.000 0.957 33 T CA -0.132 61.928 62.100 -0.067 0.000 1.002 33 T CB 0.508 69.343 68.868 -0.055 0.000 0.919 33 T HN 0.348 nan 8.240 nan 0.000 0.468 34 L N 3.477 124.681 121.223 -0.032 0.000 2.334 34 L HA 0.606 4.946 4.340 0.000 0.000 0.276 34 L C 0.207 177.150 176.870 0.121 0.000 1.014 34 L CA -0.988 53.894 54.840 0.070 0.000 0.815 34 L CB 1.601 43.641 42.059 -0.031 0.000 1.268 34 L HN 0.353 nan 8.230 nan 0.000 0.428 35 K N 2.809 123.348 120.400 0.232 0.000 2.345 35 K HA 0.600 4.920 4.320 0.000 0.000 0.255 35 K C -1.454 175.336 176.600 0.318 0.000 0.934 35 K CA -0.808 55.614 56.287 0.225 0.000 0.801 35 K CB 2.757 35.323 32.500 0.110 0.000 1.137 35 K HN 0.247 nan 8.250 nan 0.000 0.424 36 L N 2.818 124.118 121.223 0.127 0.000 2.313 36 L HA 0.427 4.767 4.340 0.000 0.000 0.283 36 L C -0.532 176.405 176.870 0.112 0.000 1.013 36 L CA -0.351 54.393 54.840 -0.160 0.000 0.816 36 L CB 1.319 43.041 42.059 -0.563 0.000 1.236 36 L HN 0.547 nan 8.230 nan 0.000 0.419 37 R N 2.765 123.311 120.500 0.077 0.000 2.404 37 R HA 0.724 5.064 4.340 0.000 0.000 0.291 37 R C -0.798 175.477 176.300 -0.042 0.000 1.025 37 R CA 0.230 56.383 56.100 0.089 0.000 0.991 37 R CB 1.026 31.384 30.300 0.096 0.000 1.053 37 R HN 0.906 nan 8.270 nan 0.000 0.479 38 T N -0.238 114.358 114.554 0.070 0.000 2.816 38 T HA 0.373 4.723 4.350 0.000 0.000 0.299 38 T C -0.275 174.617 174.700 0.321 0.000 1.230 38 T CA -0.755 61.414 62.100 0.116 0.000 1.007 38 T CB 0.696 69.650 68.868 0.143 0.000 1.289 38 T HN 0.352 nan 8.240 nan 0.000 0.508 39 F N 1.552 121.705 119.950 0.338 0.000 2.496 39 F HA 0.319 4.846 4.527 0.000 0.000 0.344 39 F C 1.432 177.352 175.800 0.199 0.000 1.155 39 F CA -0.689 57.467 58.000 0.261 0.000 1.302 39 F CB 0.764 39.858 39.000 0.156 0.000 1.159 39 F HN 0.589 nan 8.300 nan 0.000 0.595 40 K N 1.816 122.423 120.400 0.346 0.000 2.447 40 K HA 0.137 4.457 4.320 0.000 0.000 0.281 40 K C 0.847 177.574 176.600 0.212 0.000 1.031 40 K CA 0.844 57.282 56.287 0.251 0.000 1.019 40 K CB 0.090 32.671 32.500 0.135 0.000 0.918 40 K HN 0.902 nan 8.250 nan 0.000 0.476 41 G N 3.824 112.773 108.800 0.247 0.000 2.179 41 G HA2 -0.299 3.661 3.960 0.000 0.000 0.257 41 G HA3 -0.299 3.661 3.960 0.000 0.000 0.257 41 G C 0.429 175.442 174.900 0.189 0.000 1.010 41 G CA 0.693 45.904 45.100 0.186 0.000 0.736 41 G HN 0.905 nan 8.290 nan 0.000 0.513 42 D N -0.342 120.208 120.400 0.250 0.000 2.249 42 D HA 0.152 4.792 4.640 0.000 0.000 0.205 42 D C 1.582 177.977 176.300 0.158 0.000 0.962 42 D CA 1.183 55.312 54.000 0.214 0.000 0.860 42 D CB 0.075 41.053 40.800 0.298 0.000 0.955 42 D HN 0.872 nan 8.370 nan 0.000 0.505 43 I N -3.450 117.215 120.570 0.159 0.000 3.170 43 I HA 0.461 4.631 4.170 0.000 0.000 0.312 43 I C 0.866 177.032 176.117 0.080 0.000 1.085 43 I CA -0.534 60.788 61.300 0.038 0.000 0.999 43 I CB 1.957 39.852 38.000 -0.176 0.000 1.233 43 I HN -0.224 nan 8.210 nan 0.000 0.467 44 T N -1.612 112.937 114.554 -0.008 0.000 3.000 44 T HA 0.303 4.653 4.350 0.000 0.000 0.248 44 T C 0.594 175.300 174.700 0.010 0.000 1.034 44 T CA 0.523 62.661 62.100 0.064 0.000 1.060 44 T CB -0.301 68.598 68.868 0.053 0.000 0.983 44 T HN 0.954 nan 8.240 nan 0.000 0.482 45 S N -0.109 115.458 115.700 -0.221 0.000 2.567 45 S HA 0.787 5.258 4.470 0.000 0.000 0.270 45 S C -1.544 172.775 174.600 -0.469 0.000 1.152 45 S CA -0.596 57.432 58.200 -0.287 0.000 0.835 45 S CB 1.504 64.681 63.200 -0.037 0.000 1.115 45 S HN 1.037 nan 8.310 nan 0.000 0.459 46 A N 1.644 124.198 122.820 -0.444 0.000 2.549 46 A HA 0.885 5.205 4.320 0.000 0.000 0.297 46 A C -1.413 176.025 177.584 -0.244 0.000 1.061 46 A CA -0.840 50.965 52.037 -0.386 0.000 0.690 46 A CB 1.398 20.083 19.000 -0.524 0.000 1.287 46 A HN 0.797 nan 8.150 nan 0.000 0.402 47 N N 0.726 119.226 118.700 -0.332 0.000 2.264 47 N HA 0.454 5.194 4.740 0.000 0.000 0.288 47 N C -1.437 173.759 175.510 -0.522 0.000 1.094 47 N CA -0.376 52.326 53.050 -0.580 0.000 0.817 47 N CB 1.998 39.744 38.487 -1.234 0.000 1.604 47 N HN 0.582 nan 8.380 nan 0.000 0.473 48 I N 1.108 121.398 120.570 -0.467 0.000 2.342 48 I HA 0.213 4.383 4.170 0.000 0.000 0.291 48 I C 0.509 176.455 176.117 -0.284 0.000 1.010 48 I CA -0.267 60.821 61.300 -0.353 0.000 1.308 48 I CB 0.907 38.746 38.000 -0.269 0.000 1.400 48 I HN 0.195 nan 8.210 nan 0.000 0.488 49 K N 7.967 128.321 120.400 -0.077 0.000 2.394 49 K HA 0.400 4.720 4.320 0.000 0.000 0.260 49 K C -1.594 175.246 176.600 0.401 0.000 0.967 49 K CA -0.585 55.821 56.287 0.198 0.000 0.855 49 K CB 1.081 33.781 32.500 0.333 0.000 1.101 49 K HN 0.546 nan 8.250 nan 0.000 0.433 50 Y N 1.826 122.361 120.300 0.392 0.000 2.462 50 Y HA 0.475 5.025 4.550 0.000 0.000 0.346 50 Y C -1.348 174.891 175.900 0.565 0.000 0.976 50 Y CA -1.342 57.031 58.100 0.455 0.000 1.044 50 Y CB 0.944 39.573 38.460 0.282 0.000 1.230 50 Y HN 0.549 nan 8.280 nan 0.000 0.455 51 W N 5.863 127.416 121.300 0.422 0.000 2.351 51 W HA 0.364 5.024 4.660 -0.000 0.000 0.311 51 W C -1.424 175.216 176.519 0.202 0.000 1.168 51 W CA -0.238 57.142 57.345 0.057 0.000 1.200 51 W CB 1.647 31.053 29.460 -0.090 0.000 1.221 51 W HN 0.807 nan 8.180 nan 0.000 0.519 52 D N 3.837 124.081 120.400 -0.260 0.000 2.349 52 D HA 0.075 4.715 4.640 0.000 0.000 0.232 52 D C 1.376 177.475 176.300 -0.335 0.000 1.071 52 D CA -0.106 53.845 54.000 -0.081 0.000 0.832 52 D CB 1.628 42.478 40.800 0.084 0.000 1.086 52 D HN 0.437 nan 8.370 nan 0.000 0.504 53 T N 0.899 115.398 114.554 -0.092 0.000 3.051 53 T HA -0.026 4.324 4.350 0.000 0.000 0.269 53 T C 1.712 176.387 174.700 -0.042 0.000 1.127 53 T CA 0.797 62.906 62.100 0.016 0.000 1.107 53 T CB 0.031 68.961 68.868 0.104 0.000 0.898 53 T HN 0.296 nan 8.240 nan 0.000 0.517 54 A N 2.730 125.509 122.820 -0.069 0.000 1.969 54 A HA -0.013 4.307 4.320 0.000 0.000 0.218 54 A C 1.901 179.442 177.584 -0.071 0.000 1.169 54 A CA 1.508 53.512 52.037 -0.055 0.000 0.635 54 A CB -0.300 18.669 19.000 -0.051 0.000 0.810 54 A HN 0.737 nan 8.150 nan 0.000 0.445 55 D N -2.930 117.396 120.400 -0.123 0.000 2.582 55 D HA 0.027 4.667 4.640 0.000 0.000 0.246 55 D C -0.425 175.712 176.300 -0.271 0.000 1.334 55 D CA -0.354 53.566 54.000 -0.135 0.000 0.805 55 D CB -1.137 39.621 40.800 -0.071 0.000 1.087 55 D HN 0.115 nan 8.370 nan 0.000 0.499 56 N N 0.652 119.106 118.700 -0.409 0.000 2.686 56 N HA -0.128 4.612 4.740 0.000 0.000 0.261 56 N C -0.524 174.252 175.510 -1.222 0.000 1.001 56 N CA 1.274 53.924 53.050 -0.667 0.000 0.764 56 N CB -1.176 37.279 38.487 -0.054 0.000 0.898 56 N HN 0.692 nan 8.380 nan 0.000 0.544 57 A N -0.176 121.682 122.820 -1.603 0.000 2.606 57 A HA 0.749 5.069 4.320 0.000 0.000 0.293 57 A C -0.729 176.143 177.584 -1.186 0.000 1.082 57 A CA -0.755 50.562 52.037 -1.199 0.000 0.685 57 A CB 0.997 19.617 19.000 -0.632 0.000 1.284 57 A HN 0.070 nan 8.150 nan 0.000 0.408 58 F N 1.613 121.222 119.950 -0.569 0.000 2.375 58 F HA 0.495 5.022 4.527 0.000 0.000 0.333 58 F C 0.892 176.239 175.800 -0.755 0.000 1.104 58 F CA 0.534 58.318 58.000 -0.361 0.000 1.149 58 F CB 1.094 40.100 39.000 0.009 0.000 1.190 58 F HN 0.467 nan 8.300 nan 0.000 0.533 59 H N 1.511 120.488 119.070 -0.156 0.000 2.690 59 H HA 0.143 4.699 4.556 0.000 0.000 0.368 59 H C -1.348 173.966 175.328 -0.022 0.000 1.150 59 H CA -0.935 54.938 56.048 -0.291 0.000 1.174 59 H CB 2.345 31.605 29.762 -0.837 0.000 1.684 59 H HN 0.657 nan 8.280 nan 0.000 0.538 60 W N 3.208 124.514 121.300 0.010 0.000 2.532 60 W HA 0.429 5.089 4.660 0.000 0.000 0.321 60 W C -1.583 175.008 176.519 0.119 0.000 1.037 60 W CA -0.661 56.726 57.345 0.069 0.000 1.220 60 W CB 1.603 31.092 29.460 0.048 0.000 1.361 60 W HN 0.204 nan 8.180 nan 0.000 0.468 61 V N 7.735 127.590 119.914 -0.099 0.000 2.357 61 V HA 0.188 4.308 4.120 0.000 0.000 0.281 61 V C -2.118 173.850 176.094 -0.211 0.000 1.015 61 V CA -1.865 60.405 62.300 -0.050 0.000 0.827 61 V CB 1.507 33.353 31.823 0.039 0.000 1.018 61 V HN 0.376 nan 8.190 nan 0.000 0.432 62 P HA 0.226 nan 4.420 nan 0.000 0.268 62 P C -0.160 177.158 177.300 0.030 0.000 1.204 62 P CA 0.300 63.368 63.100 -0.053 0.000 0.768 62 P CB 0.510 32.273 31.700 0.105 0.000 0.842 63 M N 2.121 121.770 119.600 0.082 0.000 2.471 63 M HA 0.538 5.018 4.480 0.000 0.000 0.309 63 M C 0.081 176.622 176.300 0.400 0.000 1.186 63 M CA -0.854 54.576 55.300 0.217 0.000 1.008 63 M CB 1.453 34.209 32.600 0.260 0.000 1.551 63 M HN 0.099 nan 8.290 nan 0.000 0.477 64 V N -1.921 118.200 119.914 0.345 0.000 3.040 64 V HA 0.562 4.682 4.120 0.000 0.000 0.312 64 V C -1.565 174.434 176.094 -0.158 0.000 1.115 64 V CA -1.011 61.401 62.300 0.187 0.000 0.998 64 V CB 1.637 33.515 31.823 0.091 0.000 1.042 64 V HN 1.012 nan 8.190 nan 0.000 0.433 65 W N 2.508 123.285 121.300 -0.872 0.000 2.223 65 W HA 0.412 5.072 4.660 0.000 0.000 0.334 65 W C 0.849 177.108 176.519 -0.432 0.000 1.334 65 W CA 1.211 57.907 57.345 -1.081 0.000 1.246 65 W CB 1.277 30.157 29.460 -0.968 0.000 1.184 65 W HN 1.022 nan 8.180 nan 0.000 0.563 66 D N 1.724 121.469 120.400 -1.091 0.000 2.626 66 D HA 0.120 4.760 4.640 0.000 0.000 0.274 66 D C 0.051 175.568 176.300 -1.306 0.000 1.045 66 D CA 1.024 54.532 54.000 -0.818 0.000 0.925 66 D CB 0.499 41.044 40.800 -0.425 0.000 1.260 66 D HN 0.265 nan 8.370 nan 0.000 0.490 67 S N -1.643 113.035 115.700 -1.704 0.000 2.663 67 S HA 0.389 4.859 4.470 0.000 0.000 0.264 67 S C -1.518 172.838 174.600 -0.408 0.000 1.112 67 S CA -1.157 56.403 58.200 -1.066 0.000 0.823 67 S CB 0.790 63.785 63.200 -0.343 0.000 1.111 67 S HN 0.155 nan 8.310 nan 0.000 0.476 68 N N 0.802 119.547 118.700 0.076 0.000 2.432 68 N HA 0.529 5.269 4.740 0.000 0.000 0.292 68 N C -1.351 174.298 175.510 0.231 0.000 1.193 68 N CA -0.829 52.340 53.050 0.200 0.000 0.878 68 N CB 0.828 39.477 38.487 0.270 0.000 1.252 68 N HN 0.816 nan 8.380 nan 0.000 0.520 69 D N -0.102 120.426 120.400 0.214 0.000 2.387 69 D HA 0.175 4.815 4.640 0.000 0.000 0.251 69 D C -1.945 174.485 176.300 0.218 0.000 1.141 69 D CA -1.431 52.764 54.000 0.325 0.000 0.987 69 D CB 0.577 41.589 40.800 0.353 0.000 1.116 69 D HN 0.191 nan 8.370 nan 0.000 0.491 70 P HA -0.109 nan 4.420 nan 0.000 0.219 70 P C 1.302 178.670 177.300 0.114 0.000 1.146 70 P CA 1.989 65.167 63.100 0.129 0.000 0.808 70 P CB -0.046 31.719 31.700 0.109 0.000 0.779 71 T N -5.525 109.110 114.554 0.134 0.000 3.100 71 T HA 0.243 4.593 4.350 0.000 0.000 0.253 71 T C 1.486 176.220 174.700 0.056 0.000 1.118 71 T CA 0.434 62.591 62.100 0.096 0.000 1.058 71 T CB -1.016 67.923 68.868 0.119 0.000 0.953 71 T HN 0.210 nan 8.240 nan 0.000 0.515 72 G N 0.638 109.485 108.800 0.079 0.000 2.249 72 G HA2 -0.279 3.681 3.960 0.000 0.000 0.273 72 G HA3 -0.279 3.681 3.960 0.000 0.000 0.273 72 G C 0.605 175.494 174.900 -0.017 0.000 1.036 72 G CA 0.645 45.777 45.100 0.054 0.000 0.824 72 G HN 0.563 nan 8.290 nan 0.000 0.504 73 T N -1.056 113.444 114.554 -0.091 0.000 3.023 73 T HA 0.420 4.770 4.350 0.000 0.000 0.249 73 T C 0.587 175.036 174.700 -0.419 0.000 1.050 73 T CA 0.737 62.630 62.100 -0.345 0.000 1.088 73 T CB 0.202 68.712 68.868 -0.597 0.000 0.946 73 T HN 0.344 nan 8.240 nan 0.000 0.480 74 F N 0.851 120.874 119.950 0.121 0.000 2.598 74 F HA 0.602 5.129 4.527 0.000 0.000 0.327 74 F C -0.321 175.452 175.800 -0.045 0.000 1.057 74 F CA -1.498 56.524 58.000 0.036 0.000 0.957 74 F CB 1.294 40.200 39.000 -0.156 0.000 1.278 74 F HN -0.235 nan 8.300 nan 0.000 0.484 75 D N -0.055 120.469 120.400 0.207 0.000 2.269 75 D HA 0.343 4.983 4.640 0.000 0.000 0.244 75 D C -1.476 174.786 176.300 -0.062 0.000 0.992 75 D CA -0.295 53.810 54.000 0.174 0.000 0.894 75 D CB 1.770 42.864 40.800 0.491 0.000 1.248 75 D HN 0.373 nan 8.370 nan 0.000 0.468 76 Y N 0.263 120.535 120.300 -0.047 0.000 2.331 76 Y HA 0.343 4.893 4.550 0.000 0.000 0.334 76 Y C -0.487 175.293 175.900 -0.200 0.000 0.960 76 Y CA -1.054 57.024 58.100 -0.037 0.000 1.130 76 Y CB 1.329 39.716 38.460 -0.121 0.000 1.164 76 Y HN 0.237 nan 8.280 nan 0.000 0.458 77 W N 4.134 125.446 121.300 0.020 0.000 2.516 77 W HA 0.615 5.275 4.660 -0.000 0.000 0.343 77 W C -0.556 175.954 176.519 -0.016 0.000 1.094 77 W CA -0.854 56.480 57.345 -0.018 0.000 1.250 77 W CB 1.475 30.941 29.460 0.010 0.000 1.308 77 W HN 0.323 nan 8.180 nan 0.000 0.588 78 K N 1.418 121.917 120.400 0.165 0.000 2.477 78 K HA 0.981 5.301 4.320 0.000 0.000 0.255 78 K C -0.508 176.146 176.600 0.091 0.000 0.952 78 K CA -1.111 55.230 56.287 0.090 0.000 0.826 78 K CB 2.293 34.789 32.500 -0.006 0.000 1.331 78 K HN 0.595 nan 8.250 nan 0.000 0.437 79 G N 0.466 109.294 108.800 0.046 0.000 2.703 79 G HA2 0.509 4.469 3.960 0.000 0.000 0.294 79 G HA3 0.509 4.469 3.960 0.000 0.000 0.294 79 G C -1.610 173.264 174.900 -0.042 0.000 1.451 79 G CA -0.645 44.463 45.100 0.013 0.000 0.869 79 G HN 0.449 nan 8.290 nan 0.000 0.516 80 T N 1.234 115.757 114.554 -0.052 0.000 2.824 80 T HA 0.528 4.878 4.350 0.000 0.000 0.282 80 T C -0.028 174.599 174.700 -0.122 0.000 0.993 80 T CA -0.223 61.824 62.100 -0.088 0.000 0.967 80 T CB 1.284 70.116 68.868 -0.059 0.000 0.960 80 T HN 0.389 nan 8.240 nan 0.000 0.441 81 I N 5.890 126.330 120.570 -0.217 0.000 2.331 81 I HA 0.286 4.456 4.170 0.000 0.000 0.292 81 I C -1.762 174.208 176.117 -0.245 0.000 0.998 81 I CA -2.507 58.587 61.300 -0.343 0.000 1.267 81 I CB 1.532 39.181 38.000 -0.586 0.000 1.386 81 I HN 0.344 nan 8.210 nan 0.000 0.476 82 P HA 0.015 nan 4.420 nan 0.000 0.268 82 P C -0.665 176.562 177.300 -0.122 0.000 1.208 82 P CA -0.302 62.731 63.100 -0.113 0.000 0.777 82 P CB 0.726 32.391 31.700 -0.059 0.000 0.875 83 A N 2.387 125.159 122.820 -0.080 0.000 2.401 83 A HA 0.544 4.864 4.320 0.000 0.000 0.259 83 A C 0.512 178.064 177.584 -0.054 0.000 1.103 83 A CA 0.279 52.277 52.037 -0.065 0.000 0.789 83 A CB -0.347 18.626 19.000 -0.045 0.000 1.035 83 A HN 0.759 nan 8.150 nan 0.000 0.491 84 S N 1.565 117.235 115.700 -0.049 0.000 2.627 84 S HA 0.630 5.100 4.470 0.000 0.000 0.268 84 S C -2.870 171.713 174.600 -0.027 0.000 1.130 84 S CA -0.390 57.787 58.200 -0.038 0.000 0.819 84 S CB 1.478 64.650 63.200 -0.046 0.000 1.100 84 S HN 0.368 nan 8.310 nan 0.000 0.465 85 P HA 0.138 nan 4.420 nan 0.000 0.249 85 P C 0.493 177.788 177.300 -0.009 0.000 1.229 85 P CA 0.198 63.294 63.100 -0.007 0.000 0.788 85 P CB -0.261 31.438 31.700 -0.002 0.000 1.072 86 S N 0.071 115.758 115.700 -0.021 0.000 2.584 86 S HA 0.341 4.811 4.470 0.000 0.000 0.273 86 S C 0.324 174.900 174.600 -0.040 0.000 1.311 86 S CA -0.775 57.408 58.200 -0.027 0.000 1.034 86 S CB 0.498 63.678 63.200 -0.032 0.000 0.939 86 S HN -0.065 nan 8.310 nan 0.000 0.513 87 I N 2.349 122.887 120.570 -0.054 0.000 2.588 87 I HA 0.234 4.404 4.170 0.000 0.000 0.283 87 I C 0.460 176.436 176.117 -0.235 0.000 1.119 87 I CA 0.111 61.342 61.300 -0.115 0.000 1.419 87 I CB 0.539 38.476 38.000 -0.106 0.000 1.394 87 I HN 0.668 nan 8.210 nan 0.000 0.562 88 K N 5.771 125.996 120.400 -0.292 0.000 2.477 88 K HA 0.587 4.907 4.320 0.000 0.000 0.255 88 K C -1.735 174.665 176.600 -0.333 0.000 0.952 88 K CA -0.794 55.354 56.287 -0.232 0.000 0.826 88 K CB 2.384 34.881 32.500 -0.004 0.000 1.331 88 K HN 0.306 nan 8.250 nan 0.000 0.437 89 Y N 0.777 121.258 120.300 0.302 0.000 2.425 89 Y HA 0.424 4.974 4.550 -0.000 0.000 0.344 89 Y C -0.689 175.384 175.900 0.288 0.000 0.969 89 Y CA -1.175 56.996 58.100 0.117 0.000 1.052 89 Y CB 1.545 39.980 38.460 -0.041 0.000 1.215 89 Y HN 0.557 nan 8.280 nan 0.000 0.451 90 Y N 0.463 120.920 120.300 0.261 0.000 2.576 90 Y HA 0.911 5.461 4.550 -0.000 0.000 0.346 90 Y C -1.017 174.944 175.900 0.101 0.000 1.018 90 Y CA -1.882 56.329 58.100 0.184 0.000 1.050 90 Y CB 1.746 40.227 38.460 0.033 0.000 1.280 90 Y HN 0.694 nan 8.280 nan 0.000 0.474 91 R N 0.828 121.469 120.500 0.235 0.000 2.781 91 R HA 0.738 5.078 4.340 0.000 0.000 0.269 91 R C -2.237 174.061 176.300 -0.003 0.000 1.025 91 R CA -0.851 55.359 56.100 0.183 0.000 0.914 91 R CB 1.810 32.258 30.300 0.246 0.000 1.236 91 R HN 0.584 nan 8.270 nan 0.000 0.465 92 F N 0.173 120.311 119.950 0.313 0.000 2.508 92 F HA 0.402 4.929 4.527 -0.000 0.000 0.325 92 F C 0.122 175.852 175.800 -0.117 0.000 1.090 92 F CA -0.784 57.249 58.000 0.055 0.000 0.945 92 F CB 2.290 41.266 39.000 -0.039 0.000 1.156 92 F HN 0.408 nan 8.300 nan 0.000 0.463 93 Q N 3.224 122.839 119.800 -0.309 0.000 2.322 93 Q HA 0.625 4.965 4.340 0.000 0.000 0.265 93 Q C -1.692 174.010 176.000 -0.496 0.000 0.985 93 Q CA -0.723 54.529 55.803 -0.919 0.000 0.849 93 Q CB 1.394 29.481 28.738 -1.084 0.000 1.274 93 Q HN 0.667 nan 8.270 nan 0.000 0.449 94 I N 3.855 124.157 120.570 -0.446 0.000 2.436 94 I HA 0.377 4.547 4.170 0.000 0.000 0.289 94 I C -0.705 175.267 176.117 -0.242 0.000 1.010 94 I CA -0.501 60.611 61.300 -0.314 0.000 1.098 94 I CB 1.735 39.588 38.000 -0.245 0.000 1.266 94 I HN 0.475 nan 8.210 nan 0.000 0.434 95 N N 4.308 122.878 118.700 -0.217 0.000 2.284 95 N HA 0.379 5.119 4.740 0.000 0.000 0.300 95 N C -1.407 174.052 175.510 -0.086 0.000 1.047 95 N CA -0.603 52.375 53.050 -0.120 0.000 0.821 95 N CB 2.653 41.088 38.487 -0.087 0.000 1.337 95 N HN 0.490 nan 8.380 nan 0.000 0.482 96 D N 0.888 121.275 120.400 -0.021 0.000 2.375 96 D HA 0.435 5.075 4.640 0.000 0.000 0.259 96 D C 0.929 177.245 176.300 0.026 0.000 1.235 96 D CA 0.128 54.134 54.000 0.011 0.000 0.924 96 D CB 0.403 41.227 40.800 0.041 0.000 1.143 96 D HN 0.777 nan 8.370 nan 0.000 0.529 97 G N 2.964 111.779 108.800 0.025 0.000 2.591 97 G HA2 -0.383 3.577 3.960 0.000 0.000 0.298 97 G HA3 -0.383 3.577 3.960 0.000 0.000 0.298 97 G C 1.170 176.088 174.900 0.029 0.000 1.195 97 G CA 0.909 46.026 45.100 0.030 0.000 0.989 97 G HN 0.913 nan 8.290 nan 0.000 0.551 98 T N -1.626 112.948 114.554 0.033 0.000 3.160 98 T HA 0.451 4.801 4.350 0.000 0.000 0.257 98 T C 1.082 175.810 174.700 0.046 0.000 1.147 98 T CA 1.485 63.607 62.100 0.037 0.000 1.064 98 T CB 0.026 68.914 68.868 0.034 0.000 0.949 98 T HN 1.432 nan 8.240 nan 0.000 0.526 99 S N 0.801 116.529 115.700 0.047 0.000 2.462 99 S HA 0.568 5.038 4.470 0.000 0.000 0.294 99 S C -0.627 174.007 174.600 0.057 0.000 1.144 99 S CA -0.497 57.742 58.200 0.066 0.000 1.088 99 S CB 0.979 64.225 63.200 0.076 0.000 1.009 99 S HN 0.395 nan 8.310 nan 0.000 0.484 100 T N 3.675 118.276 114.554 0.079 0.000 2.861 100 T HA 0.788 5.138 4.350 0.000 0.000 0.287 100 T C -0.771 173.986 174.700 0.094 0.000 1.003 100 T CA -0.450 61.666 62.100 0.027 0.000 0.977 100 T CB 1.569 70.444 68.868 0.012 0.000 0.996 100 T HN 0.877 nan 8.240 nan 0.000 0.448 101 A N 2.156 124.969 122.820 -0.011 0.000 2.469 101 A HA 0.880 5.200 4.320 0.000 0.000 0.299 101 A C -2.025 175.464 177.584 -0.157 0.000 1.098 101 A CA -0.893 51.191 52.037 0.077 0.000 0.737 101 A CB 1.287 20.367 19.000 0.133 0.000 1.312 101 A HN 0.796 nan 8.150 nan 0.000 0.414 102 W N -0.903 120.397 121.300 0.001 0.000 2.736 102 W HA 0.690 5.350 4.660 -0.000 0.000 0.355 102 W C -0.998 175.534 176.519 0.022 0.000 1.102 102 W CA -0.007 57.357 57.345 0.031 0.000 1.164 102 W CB 1.636 31.102 29.460 0.011 0.000 1.422 102 W HN 0.676 nan 8.180 nan 0.000 0.572 103 Y N 2.581 123.027 120.300 0.243 0.000 2.442 103 Y HA 0.326 4.876 4.550 -0.000 0.000 0.330 103 Y C -0.365 175.724 175.900 0.315 0.000 1.100 103 Y CA -1.181 57.009 58.100 0.150 0.000 1.034 103 Y CB 1.005 39.498 38.460 0.055 0.000 1.285 103 Y HN 0.682 nan 8.280 nan 0.000 0.440 104 N N 0.880 119.587 118.700 0.012 0.000 3.633 104 N HA 0.343 5.083 4.740 0.000 0.000 0.344 104 N C 0.670 175.752 175.510 -0.713 0.000 1.627 104 N CA -0.570 52.432 53.050 -0.080 0.000 0.754 104 N CB 0.497 38.863 38.487 -0.201 0.000 2.450 104 N HN 0.658 nan 8.380 nan 0.000 0.592 105 G N -0.144 107.893 108.800 -1.271 0.000 2.485 105 G HA2 -0.303 3.657 3.960 0.000 0.000 0.221 105 G HA3 -0.303 3.657 3.960 0.000 0.000 0.221 105 G C 1.008 175.621 174.900 -0.479 0.000 1.115 105 G CA 1.257 45.739 45.100 -1.029 0.000 0.751 105 G HN 0.640 nan 8.290 nan 0.000 0.567 106 N N -0.063 118.381 118.700 -0.427 0.000 2.322 106 N HA 0.328 5.068 4.740 0.000 0.000 0.194 106 N C 1.110 176.408 175.510 -0.354 0.000 1.126 106 N CA 1.131 54.001 53.050 -0.300 0.000 0.845 106 N CB 0.191 38.533 38.487 -0.243 0.000 0.976 106 N HN 0.521 nan 8.380 nan 0.000 0.475 107 G N 0.069 108.509 108.800 -0.601 0.000 2.545 107 G HA2 -0.211 3.749 3.960 0.000 0.000 0.216 107 G HA3 -0.211 3.749 3.960 0.000 0.000 0.216 107 G C -2.768 171.526 174.900 -1.009 0.000 1.314 107 G CA -0.406 44.140 45.100 -0.924 0.000 0.906 107 G HN 0.205 nan 8.290 nan 0.000 0.563 108 P HA 0.499 nan 4.420 nan 0.000 0.274 108 P C -0.473 176.326 177.300 -0.835 0.000 1.231 108 P CA 0.439 63.050 63.100 -0.815 0.000 0.790 108 P CB 1.791 32.802 31.700 -1.149 0.000 0.951 109 S N 0.162 115.471 115.700 -0.652 0.000 2.533 109 S HA 0.322 4.792 4.470 0.000 0.000 0.271 109 S C 1.051 175.753 174.600 0.169 0.000 1.143 109 S CA -0.228 57.863 58.200 -0.182 0.000 0.891 109 S CB 0.860 64.031 63.200 -0.049 0.000 1.105 109 S HN 0.444 nan 8.310 nan 0.000 0.468 110 S N 1.917 117.897 115.700 0.467 0.000 2.414 110 S HA 0.098 4.568 4.470 0.000 0.000 0.227 110 S C 0.930 175.742 174.600 0.354 0.000 1.022 110 S CA 0.943 59.443 58.200 0.499 0.000 0.958 110 S CB -0.735 62.714 63.200 0.416 0.000 0.797 110 S HN 1.050 nan 8.310 nan 0.000 0.493 111 T N -0.042 114.647 114.554 0.224 0.000 2.925 111 T HA 0.487 4.837 4.350 0.000 0.000 0.285 111 T C -0.589 174.050 174.700 -0.102 0.000 1.021 111 T CA -0.880 61.276 62.100 0.093 0.000 1.042 111 T CB 1.621 70.501 68.868 0.020 0.000 1.037 111 T HN 0.327 nan 8.240 nan 0.000 0.481 112 E N 3.095 123.010 120.200 -0.476 0.000 2.366 112 E HA 0.179 4.529 4.350 0.000 0.000 0.266 112 E C -1.828 174.433 176.600 -0.565 0.000 1.015 112 E CA -1.609 54.126 56.400 -1.110 0.000 0.906 112 E CB 0.407 29.170 29.700 -1.562 0.000 0.979 112 E HN 0.475 nan 8.360 nan 0.000 0.443 113 P HA 0.048 nan 4.420 nan 0.000 0.274 113 P C -0.649 176.481 177.300 -0.283 0.000 1.246 113 P CA -0.195 62.739 63.100 -0.277 0.000 0.795 113 P CB 0.690 32.265 31.700 -0.208 0.000 1.006 114 N N -0.649 117.914 118.700 -0.227 0.000 2.159 114 N HA 0.277 5.017 4.740 0.000 0.000 0.217 114 N C -0.050 175.324 175.510 -0.226 0.000 1.223 114 N CA -0.321 52.603 53.050 -0.210 0.000 0.896 114 N CB 0.971 39.345 38.487 -0.187 0.000 1.064 114 N HN 0.441 nan 8.380 nan 0.000 0.518 115 A N 0.150 122.831 122.820 -0.232 0.000 2.583 115 A HA 0.573 4.893 4.320 0.000 0.000 0.289 115 A C -1.048 176.371 177.584 -0.274 0.000 1.151 115 A CA -0.224 51.657 52.037 -0.259 0.000 0.695 115 A CB 0.779 19.644 19.000 -0.225 0.000 1.290 115 A HN 0.067 nan 8.150 nan 0.000 0.419 116 D N 0.292 120.513 120.400 -0.299 0.000 2.907 116 D HA -0.111 4.529 4.640 0.000 0.000 0.226 116 D C -0.512 175.522 176.300 -0.444 0.000 1.141 116 D CA 1.528 55.333 54.000 -0.325 0.000 0.779 116 D CB -1.085 39.542 40.800 -0.288 0.000 1.095 116 D HN 0.585 nan 8.370 nan 0.000 0.430 117 D N -0.749 119.376 120.400 -0.458 0.000 2.360 117 D HA 0.227 4.867 4.640 0.000 0.000 0.242 117 D C 1.012 176.937 176.300 -0.625 0.000 1.184 117 D CA 0.037 53.762 54.000 -0.459 0.000 0.930 117 D CB 0.289 40.926 40.800 -0.271 0.000 1.161 117 D HN -0.013 nan 8.370 nan 0.000 0.447 118 F N 0.247 119.875 119.950 -0.538 0.000 2.410 118 F HA 0.162 4.689 4.527 -0.000 0.000 0.334 118 F C 0.491 175.990 175.800 -0.502 0.000 1.134 118 F CA -0.149 57.498 58.000 -0.588 0.000 1.227 118 F CB 0.442 38.785 39.000 -1.094 0.000 1.194 118 F HN 0.168 nan 8.300 nan 0.000 0.571 119 Y N 2.030 122.412 120.300 0.137 0.000 2.361 119 Y HA 0.591 5.141 4.550 0.000 0.000 0.332 119 Y C -0.060 175.965 175.900 0.209 0.000 1.101 119 Y CA -0.745 57.481 58.100 0.210 0.000 1.137 119 Y CB 1.240 39.837 38.460 0.229 0.000 1.207 119 Y HN 0.237 nan 8.280 nan 0.000 0.463 120 I N 4.998 125.755 120.570 0.313 0.000 2.468 120 I HA 0.340 4.510 4.170 0.000 0.000 0.284 120 I C -1.127 175.080 176.117 0.150 0.000 1.038 120 I CA -0.315 61.115 61.300 0.216 0.000 1.083 120 I CB 1.234 39.322 38.000 0.145 0.000 1.223 120 I HN 0.493 nan 8.210 nan 0.000 0.443 121 I N 7.963 128.645 120.570 0.188 0.000 2.502 121 I HA 0.313 4.483 4.170 0.000 0.000 0.276 121 I C -2.414 173.799 176.117 0.160 0.000 1.057 121 I CA -1.796 59.606 61.300 0.170 0.000 1.163 121 I CB 1.164 39.319 38.000 0.258 0.000 1.288 121 I HN 0.175 nan 8.210 nan 0.000 0.479 122 P HA 0.063 nan 4.420 nan 0.000 0.264 122 P C 0.002 177.361 177.300 0.098 0.000 1.183 122 P CA 0.560 63.702 63.100 0.071 0.000 0.763 122 P CB 0.234 31.951 31.700 0.029 0.000 0.807 123 N N -0.855 117.901 118.700 0.092 0.000 2.936 123 N HA -0.248 4.492 4.740 0.000 0.000 0.236 123 N C -0.380 175.238 175.510 0.180 0.000 0.930 123 N CA 0.260 53.371 53.050 0.101 0.000 0.966 123 N CB -1.875 36.659 38.487 0.078 0.000 1.090 123 N HN 0.413 nan 8.380 nan 0.000 0.592 124 F N 1.807 121.764 119.950 0.012 0.000 2.421 124 F HA 0.431 4.958 4.527 0.000 0.000 0.358 124 F C 0.268 176.068 175.800 0.001 0.000 1.115 124 F CA -0.691 57.316 58.000 0.012 0.000 1.160 124 F CB 0.592 39.601 39.000 0.014 0.000 1.123 124 F HN -0.159 nan 8.300 nan 0.000 0.508 125 K N 4.505 124.821 120.400 -0.141 0.000 2.378 125 K HA 0.413 4.733 4.320 0.000 0.000 0.252 125 K C -1.006 175.357 176.600 -0.395 0.000 0.931 125 K CA -0.567 55.535 56.287 -0.308 0.000 0.794 125 K CB 1.835 34.270 32.500 -0.109 0.000 1.181 125 K HN 0.612 nan 8.250 nan 0.000 0.425 126 T N 1.045 115.322 114.554 -0.462 0.000 2.888 126 T HA 0.605 4.955 4.350 0.000 0.000 0.284 126 T C -2.591 171.901 174.700 -0.346 0.000 1.017 126 T CA -2.516 59.358 62.100 -0.376 0.000 1.022 126 T CB 1.452 70.075 68.868 -0.408 0.000 1.013 126 T HN 0.339 nan 8.240 nan 0.000 0.465 127 P HA 0.144 nan 4.420 nan 0.000 0.263 127 P C 0.244 177.184 177.300 -0.600 0.000 1.195 127 P CA -0.006 62.754 63.100 -0.566 0.000 0.762 127 P CB 0.366 31.452 31.700 -1.023 0.000 0.799 128 D N 2.707 122.899 120.400 -0.347 0.000 2.219 128 D HA -0.122 4.518 4.640 0.000 0.000 0.205 128 D C 1.711 177.886 176.300 -0.210 0.000 0.970 128 D CA 1.008 54.869 54.000 -0.231 0.000 0.851 128 D CB -0.229 40.513 40.800 -0.097 0.000 0.943 128 D HN 0.609 nan 8.370 nan 0.000 0.488 129 W N 0.680 121.845 121.300 -0.224 0.000 2.425 129 W HA -0.050 4.610 4.660 0.000 0.000 0.277 129 W C 1.543 177.867 176.519 -0.325 0.000 1.231 129 W CA -0.089 57.058 57.345 -0.329 0.000 1.248 129 W CB -0.982 28.034 29.460 -0.740 0.000 1.117 129 W HN -0.063 nan 8.180 nan 0.000 0.568 130 L N 2.237 122.952 121.223 -0.847 0.000 2.072 130 L HA -0.038 4.302 4.340 0.000 0.000 0.205 130 L C 2.605 179.267 176.870 -0.347 0.000 1.079 130 L CA 1.900 56.324 54.840 -0.694 0.000 0.752 130 L CB -0.760 40.688 42.059 -1.019 0.000 0.906 130 L HN -0.216 nan 8.230 nan 0.000 0.436 131 K N -0.496 119.703 120.400 -0.334 0.000 2.097 131 K HA -0.095 4.225 4.320 0.000 0.000 0.206 131 K C 1.377 177.891 176.600 -0.142 0.000 1.049 131 K CA 1.444 57.596 56.287 -0.226 0.000 0.933 131 K CB -0.214 32.162 32.500 -0.208 0.000 0.717 131 K HN 0.411 nan 8.250 nan 0.000 0.442 132 N N 0.280 118.920 118.700 -0.100 0.000 2.280 132 N HA 0.019 4.759 4.740 0.000 0.000 0.192 132 N C 0.587 176.102 175.510 0.009 0.000 1.109 132 N CA 0.175 53.205 53.050 -0.034 0.000 0.855 132 N CB 0.858 39.342 38.487 -0.006 0.000 0.974 132 N HN 0.116 nan 8.380 nan 0.000 0.482 133 G N 0.161 108.972 108.800 0.018 0.000 2.531 133 G HA2 0.507 4.467 3.960 0.000 0.000 0.313 133 G HA3 0.507 4.467 3.960 0.000 0.000 0.313 133 G C -0.653 174.277 174.900 0.050 0.000 1.238 133 G CA -0.217 44.929 45.100 0.077 0.000 0.994 133 G HN -0.074 nan 8.290 nan 0.000 0.493 134 V N 0.754 120.718 119.914 0.082 0.000 2.531 134 V HA 0.461 4.581 4.120 0.000 0.000 0.301 134 V C -0.065 176.098 176.094 0.115 0.000 1.034 134 V CA -0.518 61.825 62.300 0.071 0.000 0.865 134 V CB 1.567 33.429 31.823 0.065 0.000 0.995 134 V HN 0.779 nan 8.190 nan 0.000 0.424 135 M N 4.479 124.149 119.600 0.117 0.000 2.423 135 M HA 0.578 5.058 4.480 0.000 0.000 0.335 135 M C -1.882 174.546 176.300 0.213 0.000 1.177 135 M CA -0.688 54.710 55.300 0.164 0.000 1.038 135 M CB 1.756 34.438 32.600 0.137 0.000 1.641 135 M HN 0.749 nan 8.290 nan 0.000 0.455 136 Y N 3.024 123.365 120.300 0.068 0.000 2.326 136 Y HA 0.316 4.866 4.550 0.000 0.000 0.329 136 Y C -0.912 174.993 175.900 0.008 0.000 0.973 136 Y CA -0.517 57.603 58.100 0.033 0.000 1.162 136 Y CB 1.340 39.785 38.460 -0.026 0.000 1.147 136 Y HN 0.625 nan 8.280 nan 0.000 0.456 137 Q N 6.630 126.270 119.800 -0.266 0.000 2.278 137 Q HA 0.578 4.918 4.340 0.000 0.000 0.257 137 Q C -1.557 174.208 176.000 -0.392 0.000 0.928 137 Q CA -0.470 55.190 55.803 -0.238 0.000 0.932 137 Q CB 0.867 29.593 28.738 -0.020 0.000 1.221 137 Q HN 0.806 nan 8.270 nan 0.000 0.434 138 I N 4.033 124.317 120.570 -0.476 0.000 2.433 138 I HA 0.278 4.448 4.170 0.000 0.000 0.292 138 I C -0.949 174.851 176.117 -0.529 0.000 1.001 138 I CA -0.849 60.088 61.300 -0.606 0.000 1.119 138 I CB 1.448 39.038 38.000 -0.683 0.000 1.289 138 I HN 0.638 nan 8.210 nan 0.000 0.438 139 F N 9.184 128.677 119.950 -0.762 0.000 2.334 139 F HA 0.398 4.925 4.527 0.000 0.000 0.365 139 F C -1.730 173.776 175.800 -0.491 0.000 1.124 139 F CA -2.040 55.665 58.000 -0.493 0.000 1.166 139 F CB 0.841 39.667 39.000 -0.290 0.000 1.355 139 F HN 0.324 nan 8.300 nan 0.000 0.532 140 P HA -0.320 nan 4.420 nan 0.000 0.221 140 P C 1.179 178.283 177.300 -0.326 0.000 1.160 140 P CA 2.055 64.774 63.100 -0.636 0.000 0.933 140 P CB 0.184 31.094 31.700 -1.317 0.000 0.793 141 D N -2.032 118.304 120.400 -0.106 0.000 2.309 141 D HA -0.139 4.501 4.640 0.000 0.000 0.212 141 D C 1.321 177.822 176.300 0.336 0.000 0.968 141 D CA 0.801 54.974 54.000 0.289 0.000 0.882 141 D CB -0.031 41.043 40.800 0.456 0.000 0.918 141 D HN -0.033 nan 8.370 nan 0.000 0.503 142 R N -0.915 119.725 120.500 0.234 0.000 2.472 142 R HA 0.145 4.485 4.340 0.000 0.000 0.279 142 R C 0.991 177.497 176.300 0.342 0.000 0.953 142 R CA -0.204 55.951 56.100 0.092 0.000 1.088 142 R CB -0.575 29.705 30.300 -0.034 0.000 1.197 142 R HN 0.310 nan 8.270 nan 0.000 0.536 143 F N -0.270 119.813 119.950 0.222 0.000 2.202 143 F HA 0.158 4.686 4.527 0.000 0.000 0.279 143 F C 0.004 176.285 175.800 0.802 0.000 1.077 143 F CA 0.343 58.530 58.000 0.311 0.000 1.193 143 F CB 0.548 39.552 39.000 0.007 0.000 1.090 143 F HN -0.093 nan 8.300 nan 0.000 0.516 144 Y N 0.671 121.149 120.300 0.298 0.000 2.442 144 Y HA 0.254 4.804 4.550 0.000 0.000 0.330 144 Y C -1.232 174.601 175.900 -0.112 0.000 1.100 144 Y CA -1.419 56.630 58.100 -0.085 0.000 1.034 144 Y CB 0.715 38.942 38.460 -0.390 0.000 1.285 144 Y HN -0.034 nan 8.280 nan 0.000 0.440 145 N N 3.428 121.588 118.700 -0.901 0.000 2.521 145 N HA 0.216 4.956 4.740 0.000 0.000 0.236 145 N C 0.450 175.439 175.510 -0.868 0.000 1.067 145 N CA 0.487 53.167 53.050 -0.616 0.000 0.939 145 N CB 1.303 39.518 38.487 -0.454 0.000 1.201 145 N HN 0.976 nan 8.380 nan 0.000 0.511 146 G N 1.353 109.852 108.800 -0.502 0.000 2.880 146 G HA2 -0.043 3.917 3.960 0.000 0.000 0.209 146 G HA3 -0.043 3.917 3.960 0.000 0.000 0.209 146 G C -0.092 174.696 174.900 -0.187 0.000 1.157 146 G CA -0.018 44.886 45.100 -0.327 0.000 0.779 146 G HN 0.560 nan 8.290 nan 0.000 0.539 147 D N -0.404 119.902 120.400 -0.156 0.000 2.375 147 D HA 0.180 4.820 4.640 0.000 0.000 0.241 147 D C 1.357 177.612 176.300 -0.075 0.000 1.361 147 D CA -0.180 53.766 54.000 -0.089 0.000 0.995 147 D CB 1.097 41.874 40.800 -0.040 0.000 1.312 147 D HN 0.003 nan 8.370 nan 0.000 0.576 148 S N 1.291 116.940 115.700 -0.085 0.000 2.481 148 S HA -0.147 4.323 4.470 0.000 0.000 0.231 148 S C 1.817 176.398 174.600 -0.032 0.000 0.996 148 S CA 1.056 59.220 58.200 -0.060 0.000 0.942 148 S CB -0.228 62.931 63.200 -0.068 0.000 0.768 148 S HN 0.376 nan 8.310 nan 0.000 0.520 149 S N 3.221 118.903 115.700 -0.030 0.000 2.447 149 S HA -0.130 4.340 4.470 0.000 0.000 0.233 149 S C 1.398 175.991 174.600 -0.013 0.000 1.006 149 S CA 0.988 59.176 58.200 -0.020 0.000 0.957 149 S CB -0.848 62.340 63.200 -0.019 0.000 0.773 149 S HN 0.815 nan 8.310 nan 0.000 0.507 150 N N 0.589 119.286 118.700 -0.004 0.000 2.230 150 N HA 0.156 4.896 4.740 0.000 0.000 0.202 150 N C -1.055 174.458 175.510 0.005 0.000 1.119 150 N CA -0.253 52.799 53.050 0.004 0.000 0.851 150 N CB -0.519 37.983 38.487 0.025 0.000 0.990 150 N HN 0.132 nan 8.380 nan 0.000 0.497 151 D N 0.656 121.060 120.400 0.007 0.000 2.488 151 D HA 0.007 4.647 4.640 0.000 0.000 0.238 151 D C -0.110 176.166 176.300 -0.039 0.000 1.138 151 D CA 0.024 54.033 54.000 0.016 0.000 0.873 151 D CB 1.234 42.047 40.800 0.021 0.000 1.183 151 D HN -0.102 nan 8.370 nan 0.000 0.458 152 V N 4.167 124.027 119.914 -0.090 0.000 2.508 152 V HA 0.032 4.152 4.120 0.000 0.000 0.281 152 V C 0.646 176.647 176.094 -0.155 0.000 1.041 152 V CA -0.241 61.915 62.300 -0.240 0.000 1.016 152 V CB 0.886 32.297 31.823 -0.687 0.000 0.984 152 V HN 0.362 nan 8.190 nan 0.000 0.478 153 Q N 1.940 121.655 119.800 -0.143 0.000 2.195 153 Q HA 0.405 4.745 4.340 0.000 0.000 0.250 153 Q C 0.022 175.950 176.000 -0.120 0.000 0.988 153 Q CA -0.550 55.195 55.803 -0.098 0.000 0.911 153 Q CB 1.242 29.941 28.738 -0.064 0.000 1.258 153 Q HN 0.685 nan 8.270 nan 0.000 0.475 154 T N 0.877 115.377 114.554 -0.090 0.000 2.817 154 T HA 0.307 4.657 4.350 0.000 0.000 0.295 154 T C 0.984 175.669 174.700 -0.025 0.000 0.958 154 T CA 1.065 63.121 62.100 -0.074 0.000 1.157 154 T CB -0.051 68.764 68.868 -0.089 0.000 0.898 154 T HN 0.805 nan 8.240 nan 0.000 0.536 155 G N 2.999 111.793 108.800 -0.010 0.000 2.159 155 G HA2 -0.317 3.643 3.960 0.000 0.000 0.256 155 G HA3 -0.317 3.643 3.960 0.000 0.000 0.256 155 G C 1.355 176.226 174.900 -0.048 0.000 0.977 155 G CA 0.444 45.540 45.100 -0.005 0.000 0.652 155 G HN 0.675 nan 8.290 nan 0.000 0.531 156 S N -0.822 114.809 115.700 -0.115 0.000 2.370 156 S HA 0.151 4.621 4.470 0.000 0.000 0.226 156 S C 0.773 175.402 174.600 0.049 0.000 1.033 156 S CA 1.981 60.143 58.200 -0.064 0.000 1.011 156 S CB -0.239 62.895 63.200 -0.110 0.000 0.852 156 S HN 1.544 nan 8.310 nan 0.000 0.457 157 Y N -1.248 119.021 120.300 -0.051 0.000 2.689 157 Y HA 0.622 5.172 4.550 0.000 0.000 0.333 157 Y C -0.756 175.143 175.900 -0.001 0.000 1.208 157 Y CA -1.355 56.720 58.100 -0.041 0.000 1.055 157 Y CB 0.750 39.167 38.460 -0.071 0.000 1.304 157 Y HN -0.069 nan 8.280 nan 0.000 0.455 158 T N -0.817 113.886 114.554 0.250 0.000 2.887 158 T HA 0.613 4.963 4.350 0.000 0.000 0.288 158 T C -1.902 172.940 174.700 0.237 0.000 1.021 158 T CA -0.642 61.549 62.100 0.153 0.000 1.000 158 T CB 1.915 70.808 68.868 0.043 0.000 1.034 158 T HN 0.975 nan 8.240 nan 0.000 0.467 159 Y N 2.572 122.899 120.300 0.044 0.000 2.338 159 Y HA 0.436 4.986 4.550 0.000 0.000 0.333 159 Y C 0.657 176.460 175.900 -0.161 0.000 0.968 159 Y CA -0.572 57.495 58.100 -0.056 0.000 1.123 159 Y CB 1.213 39.709 38.460 0.059 0.000 1.165 159 Y HN 1.106 nan 8.280 nan 0.000 0.452 160 N N 4.466 122.482 118.700 -1.138 0.000 2.727 160 N HA -0.263 4.477 4.740 0.000 0.000 0.249 160 N C 0.856 176.149 175.510 -0.362 0.000 1.048 160 N CA 0.955 53.453 53.050 -0.921 0.000 0.714 160 N CB -0.980 36.923 38.487 -0.974 0.000 0.959 160 N HN 1.431 nan 8.380 nan 0.000 0.544 161 G N -2.007 106.644 108.800 -0.248 0.000 2.241 161 G HA2 -0.287 3.673 3.960 0.000 0.000 0.244 161 G HA3 -0.287 3.673 3.960 0.000 0.000 0.244 161 G C 0.149 175.005 174.900 -0.074 0.000 0.998 161 G CA 0.638 45.668 45.100 -0.116 0.000 0.621 161 G HN 0.495 nan 8.290 nan 0.000 0.519 162 T N 4.382 118.904 114.554 -0.052 0.000 2.795 162 T HA 0.604 4.954 4.350 0.000 0.000 0.282 162 T C -2.239 172.481 174.700 0.034 0.000 0.980 162 T CA -0.785 61.309 62.100 -0.010 0.000 1.012 162 T CB 2.777 71.667 68.868 0.037 0.000 0.936 162 T HN 0.245 nan 8.240 nan 0.000 0.457 163 P HA 0.195 nan 4.420 nan 0.000 0.277 163 P C 0.041 177.420 177.300 0.131 0.000 1.240 163 P CA -0.476 62.652 63.100 0.047 0.000 0.798 163 P CB 0.386 32.113 31.700 0.046 0.000 0.979 164 T N -1.307 113.224 114.554 -0.039 0.000 2.898 164 T HA 0.238 4.588 4.350 0.000 0.000 0.301 164 T C -0.102 174.632 174.700 0.057 0.000 1.049 164 T CA -0.464 61.613 62.100 -0.039 0.000 1.095 164 T CB 0.749 69.336 68.868 -0.468 0.000 0.976 164 T HN 0.560 nan 8.240 nan 0.000 0.539 165 E N 0.514 120.737 120.200 0.038 0.000 2.256 165 E HA 0.367 4.717 4.350 0.000 0.000 0.268 165 E C -1.006 175.521 176.600 -0.122 0.000 0.877 165 E CA -0.918 55.337 56.400 -0.243 0.000 0.757 165 E CB 1.545 30.850 29.700 -0.658 0.000 1.183 165 E HN 0.709 nan 8.360 nan 0.000 0.418 166 K N 3.750 124.049 120.400 -0.168 0.000 2.130 166 K HA 0.358 4.678 4.320 0.000 0.000 0.268 166 K C -0.963 175.485 176.600 -0.254 0.000 0.983 166 K CA -0.491 55.718 56.287 -0.130 0.000 0.893 166 K CB 0.943 33.394 32.500 -0.082 0.000 1.066 166 K HN 0.377 nan 8.250 nan 0.000 0.450 167 K N 1.858 122.016 120.400 -0.403 0.000 2.375 167 K HA 0.399 4.719 4.320 0.000 0.000 0.249 167 K C -0.960 175.387 176.600 -0.421 0.000 0.942 167 K CA -1.039 54.947 56.287 -0.502 0.000 0.806 167 K CB 2.005 34.039 32.500 -0.776 0.000 1.227 167 K HN 0.726 nan 8.250 nan 0.000 0.430 168 A N 2.121 124.835 122.820 -0.177 0.000 2.498 168 A HA -0.042 4.278 4.320 0.000 0.000 0.239 168 A C -0.323 177.381 177.584 0.199 0.000 1.068 168 A CA -0.185 51.873 52.037 0.035 0.000 0.766 168 A CB 0.070 19.106 19.000 0.060 0.000 1.003 168 A HN 0.746 nan 8.150 nan 0.000 0.497 169 W N 2.029 123.444 121.300 0.192 0.000 2.257 169 W HA 0.304 4.964 4.660 0.000 0.000 0.337 169 W C 1.050 177.746 176.519 0.294 0.000 1.321 169 W CA 1.791 59.354 57.345 0.363 0.000 1.267 169 W CB 0.456 30.069 29.460 0.255 0.000 1.187 169 W HN 1.476 nan 8.180 nan 0.000 0.565 170 G N 2.719 111.497 108.800 -0.036 0.000 2.225 170 G HA2 -0.323 3.637 3.960 0.000 0.000 0.254 170 G HA3 -0.323 3.637 3.960 0.000 0.000 0.254 170 G C 0.307 175.264 174.900 0.096 0.000 0.988 170 G CA 0.429 45.538 45.100 0.015 0.000 0.625 170 G HN 0.974 nan 8.290 nan 0.000 0.527 171 S N -0.086 115.746 115.700 0.219 0.000 2.645 171 S HA 0.671 5.141 4.470 0.000 0.000 0.266 171 S C 0.700 175.440 174.600 0.234 0.000 1.258 171 S CA 0.727 59.033 58.200 0.177 0.000 0.990 171 S CB 1.623 64.888 63.200 0.107 0.000 0.967 171 S HN 1.598 nan 8.310 nan 0.000 0.556 172 S N -0.081 115.723 115.700 0.173 0.000 2.558 172 S HA 0.012 4.482 4.470 0.000 0.000 0.291 172 S C 1.292 176.054 174.600 0.270 0.000 1.306 172 S CA -0.241 58.082 58.200 0.206 0.000 1.056 172 S CB -0.033 63.302 63.200 0.225 0.000 0.836 172 S HN 1.441 nan 8.310 nan 0.000 0.504 173 V N 3.833 123.846 119.914 0.166 0.000 3.041 173 V HA 0.187 4.307 4.120 0.000 0.000 0.260 173 V C 0.423 176.515 176.094 -0.003 0.000 1.105 173 V CA 0.351 62.724 62.300 0.121 0.000 1.125 173 V CB -1.426 30.296 31.823 -0.168 0.000 0.730 173 V HN 0.772 nan 8.190 nan 0.000 0.479 174 Y N 1.944 122.292 120.300 0.080 0.000 2.526 174 Y HA 0.552 5.102 4.550 0.000 0.000 0.330 174 Y C 1.159 177.088 175.900 0.047 0.000 1.156 174 Y CA 0.057 58.192 58.100 0.057 0.000 1.419 174 Y CB 0.104 38.591 38.460 0.045 0.000 1.250 174 Y HN 0.309 nan 8.280 nan 0.000 0.540 175 A N 4.046 126.981 122.820 0.190 0.000 2.498 175 A HA 0.069 4.389 4.320 0.000 0.000 0.239 175 A C 0.185 177.873 177.584 0.173 0.000 1.068 175 A CA -0.619 51.505 52.037 0.146 0.000 0.766 175 A CB 0.027 19.135 19.000 0.181 0.000 1.003 175 A HN 0.758 nan 8.150 nan 0.000 0.497 176 D N 1.661 122.155 120.400 0.156 0.000 2.377 176 D HA 0.300 4.940 4.640 0.000 0.000 0.245 176 D C -2.363 174.096 176.300 0.265 0.000 1.196 176 D CA -0.825 53.283 54.000 0.180 0.000 0.962 176 D CB 0.022 40.902 40.800 0.133 0.000 1.127 176 D HN 0.252 nan 8.370 nan 0.000 0.471 177 P HA 0.026 nan 4.420 nan 0.000 0.261 177 P C 0.737 178.076 177.300 0.065 0.000 1.173 177 P CA 0.917 64.081 63.100 0.108 0.000 0.760 177 P CB 0.363 32.103 31.700 0.067 0.000 0.783 178 G N 0.926 109.705 108.800 -0.036 0.000 2.217 178 G HA2 -0.248 3.712 3.960 0.000 0.000 0.246 178 G HA3 -0.248 3.712 3.960 0.000 0.000 0.246 178 G C -0.168 174.494 174.900 -0.396 0.000 0.990 178 G CA -0.323 44.632 45.100 -0.241 0.000 0.627 178 G HN 0.465 nan 8.290 nan 0.000 0.522 179 Y N 0.488 120.806 120.300 0.031 0.000 2.631 179 Y HA 0.709 5.259 4.550 0.000 0.000 0.328 179 Y C 0.221 176.153 175.900 0.053 0.000 1.118 179 Y CA -0.752 57.370 58.100 0.036 0.000 1.206 179 Y CB 1.212 39.690 38.460 0.029 0.000 1.337 179 Y HN 0.068 nan 8.280 nan 0.000 0.515 180 D N -0.054 120.490 120.400 0.240 0.000 2.498 180 D HA 0.150 4.790 4.640 0.000 0.000 0.247 180 D C -0.083 176.300 176.300 0.140 0.000 1.070 180 D CA -0.328 53.773 54.000 0.169 0.000 0.842 180 D CB 1.432 42.327 40.800 0.159 0.000 1.361 180 D HN 0.560 nan 8.370 nan 0.000 0.484 181 N N 0.882 119.654 118.700 0.120 0.000 2.137 181 N HA -0.186 4.554 4.740 0.000 0.000 0.190 181 N C 1.629 177.165 175.510 0.043 0.000 1.017 181 N CA 1.373 54.467 53.050 0.073 0.000 0.859 181 N CB -0.176 38.350 38.487 0.066 0.000 1.002 181 N HN 0.488 nan 8.380 nan 0.000 0.428 182 S N -0.451 115.298 115.700 0.082 0.000 2.607 182 S HA 0.105 4.575 4.470 0.000 0.000 0.224 182 S C 1.129 175.705 174.600 -0.041 0.000 0.969 182 S CA 0.116 58.362 58.200 0.076 0.000 0.927 182 S CB -0.139 63.160 63.200 0.166 0.000 0.772 182 S HN 0.229 nan 8.310 nan 0.000 0.533 183 L N 1.761 122.981 121.223 -0.005 0.000 3.218 183 L HA 0.459 4.799 4.340 0.000 0.000 0.279 183 L C -0.906 175.952 176.870 -0.021 0.000 1.287 183 L CA -0.341 54.534 54.840 0.059 0.000 1.024 183 L CB 1.105 43.296 42.059 0.220 0.000 1.409 183 L HN 0.110 nan 8.230 nan 0.000 0.580 184 V N 0.475 120.208 119.914 -0.302 0.000 2.370 184 V HA 0.427 4.547 4.120 0.000 0.000 0.283 184 V C -0.545 175.297 176.094 -0.419 0.000 1.023 184 V CA -0.219 61.959 62.300 -0.203 0.000 0.857 184 V CB 1.514 33.289 31.823 -0.080 0.000 0.985 184 V HN 0.059 nan 8.190 nan 0.000 0.443 185 F N 4.121 124.066 119.950 -0.008 0.000 2.493 185 F HA 0.548 5.075 4.527 0.000 0.000 0.329 185 F C 0.309 176.136 175.800 0.045 0.000 1.126 185 F CA -0.690 57.374 58.000 0.107 0.000 0.937 185 F CB 1.605 40.645 39.000 0.066 0.000 1.146 185 F HN 0.336 nan 8.300 nan 0.000 0.442 186 F N 0.867 120.971 119.950 0.257 0.000 2.619 186 F HA 0.299 4.826 4.527 0.000 0.000 0.293 186 F C 1.860 177.921 175.800 0.436 0.000 1.119 186 F CA 0.748 58.910 58.000 0.269 0.000 1.445 186 F CB 0.213 39.252 39.000 0.065 0.000 1.119 186 F HN 0.718 nan 8.300 nan 0.000 0.573 187 G N -0.400 108.742 108.800 0.569 0.000 2.211 187 G HA2 -0.154 3.806 3.960 0.000 0.000 0.201 187 G HA3 -0.154 3.806 3.960 0.000 0.000 0.201 187 G C 0.766 175.876 174.900 0.351 0.000 0.997 187 G CA -0.413 44.926 45.100 0.399 0.000 0.652 187 G HN 0.644 nan 8.290 nan 0.000 0.500 188 G N 0.763 109.853 108.800 0.482 0.000 2.353 188 G HA2 0.508 4.468 3.960 0.000 0.000 0.239 188 G HA3 0.508 4.468 3.960 0.000 0.000 0.239 188 G C 0.031 175.013 174.900 0.136 0.000 1.295 188 G CA 1.163 46.447 45.100 0.307 0.000 0.884 188 G HN 1.057 nan 8.290 nan 0.000 0.537 189 D N 0.156 120.570 120.400 0.022 0.000 2.664 189 D HA 0.217 4.857 4.640 0.000 0.000 0.292 189 D C 1.193 177.449 176.300 -0.074 0.000 1.214 189 D CA -0.932 53.055 54.000 -0.021 0.000 0.932 189 D CB 0.402 41.265 40.800 0.104 0.000 1.420 189 D HN 0.174 nan 8.370 nan 0.000 0.471 190 L N -0.186 121.010 121.223 -0.045 0.000 2.141 190 L HA 0.003 4.343 4.340 0.000 0.000 0.209 190 L C 2.399 179.273 176.870 0.007 0.000 1.094 190 L CA 1.521 56.339 54.840 -0.037 0.000 0.763 190 L CB -0.653 41.406 42.059 -0.000 0.000 0.908 190 L HN 0.629 nan 8.230 nan 0.000 0.437 191 A N 0.602 123.432 122.820 0.017 0.000 1.933 191 A HA -0.110 4.210 4.320 0.000 0.000 0.218 191 A C 2.414 180.020 177.584 0.037 0.000 1.175 191 A CA 1.684 53.729 52.037 0.014 0.000 0.628 191 A CB -1.118 17.881 19.000 -0.003 0.000 0.814 191 A HN 0.429 nan 8.150 nan 0.000 0.444 192 G N 0.098 108.927 108.800 0.048 0.000 2.418 192 G HA2 -0.183 3.777 3.960 0.000 0.000 0.217 192 G HA3 -0.183 3.777 3.960 0.000 0.000 0.217 192 G C 1.516 176.570 174.900 0.257 0.000 1.158 192 G CA 1.113 46.321 45.100 0.181 0.000 0.771 192 G HN 0.483 nan 8.290 nan 0.000 0.545 193 I N 0.640 121.342 120.570 0.220 0.000 2.226 193 I HA -0.146 4.024 4.170 0.000 0.000 0.245 193 I C 2.455 178.651 176.117 0.131 0.000 1.100 193 I CA 1.235 62.689 61.300 0.257 0.000 1.374 193 I CB -0.208 37.849 38.000 0.095 0.000 1.057 193 I HN 0.093 nan 8.210 nan 0.000 0.413 194 D N 0.928 121.364 120.400 0.060 0.000 2.104 194 D HA -0.217 4.423 4.640 0.000 0.000 0.194 194 D C 2.166 178.470 176.300 0.007 0.000 0.994 194 D CA 1.535 55.545 54.000 0.016 0.000 0.830 194 D CB -0.035 40.766 40.800 0.001 0.000 0.959 194 D HN 0.412 nan 8.370 nan 0.000 0.452 195 Q N -0.623 119.184 119.800 0.011 0.000 2.364 195 Q HA -0.058 4.282 4.340 0.000 0.000 0.207 195 Q C 1.202 177.124 176.000 -0.130 0.000 0.970 195 Q CA 0.699 56.474 55.803 -0.047 0.000 0.888 195 Q CB 0.280 29.010 28.738 -0.013 0.000 0.951 195 Q HN 0.031 nan 8.270 nan 0.000 0.469 196 K N 0.284 120.636 120.400 -0.079 0.000 2.399 196 K HA 0.161 4.481 4.320 0.000 0.000 0.204 196 K C 1.358 178.022 176.600 0.107 0.000 1.023 196 K CA 0.016 56.262 56.287 -0.069 0.000 1.127 196 K CB 0.487 32.949 32.500 -0.063 0.000 0.856 196 K HN 0.225 nan 8.250 nan 0.000 0.514 197 L N -0.134 121.118 121.223 0.048 0.000 2.191 197 L HA -0.135 4.205 4.340 0.000 0.000 0.212 197 L C 2.162 179.037 176.870 0.008 0.000 1.103 197 L CA 1.456 56.309 54.840 0.023 0.000 0.769 197 L CB -0.592 41.458 42.059 -0.014 0.000 0.908 197 L HN 0.258 nan 8.230 nan 0.000 0.438 198 G N -0.789 108.019 108.800 0.013 0.000 2.418 198 G HA2 -0.350 3.610 3.960 0.000 0.000 0.217 198 G HA3 -0.350 3.610 3.960 0.000 0.000 0.217 198 G C 1.453 176.382 174.900 0.047 0.000 1.158 198 G CA 0.708 45.815 45.100 0.011 0.000 0.771 198 G HN 0.364 nan 8.290 nan 0.000 0.545 199 Y N 1.360 121.657 120.300 -0.006 0.000 2.145 199 Y HA -0.043 4.507 4.550 0.000 0.000 0.286 199 Y C 2.510 178.401 175.900 -0.015 0.000 1.145 199 Y CA 1.294 59.423 58.100 0.047 0.000 1.148 199 Y CB -0.211 38.363 38.460 0.190 0.000 0.981 199 Y HN 0.197 nan 8.280 nan 0.000 0.507 200 I N 0.252 120.713 120.570 -0.182 0.000 2.163 200 I HA -0.280 3.890 4.170 0.000 0.000 0.240 200 I C 2.231 178.181 176.117 -0.277 0.000 1.081 200 I CA 1.694 62.752 61.300 -0.402 0.000 1.353 200 I CB -0.398 37.436 38.000 -0.276 0.000 1.054 200 I HN 0.099 nan 8.210 nan 0.000 0.407 201 K N 0.451 120.763 120.400 -0.147 0.000 2.305 201 K HA -0.019 4.301 4.320 0.000 0.000 0.199 201 K C 1.795 178.342 176.600 -0.088 0.000 1.047 201 K CA 0.775 57.003 56.287 -0.099 0.000 0.976 201 K CB 0.213 32.674 32.500 -0.064 0.000 0.765 201 K HN 0.344 nan 8.250 nan 0.000 0.474 202 K N -0.429 119.915 120.400 -0.093 0.000 2.312 202 K HA 0.095 4.415 4.320 0.000 0.000 0.206 202 K C 2.093 178.647 176.600 -0.077 0.000 1.121 202 K CA 0.488 56.736 56.287 -0.065 0.000 0.923 202 K CB 0.172 32.652 32.500 -0.034 0.000 1.162 202 K HN -0.123 nan 8.250 nan 0.000 0.478 203 T N 2.622 117.119 114.554 -0.095 0.000 2.684 203 T HA -0.084 4.266 4.350 0.000 0.000 0.267 203 T C 1.906 176.512 174.700 -0.158 0.000 1.036 203 T CA 1.245 63.298 62.100 -0.079 0.000 1.148 203 T CB -0.113 68.765 68.868 0.016 0.000 0.863 203 T HN 0.040 nan 8.240 nan 0.000 0.436 204 L N -0.569 120.462 121.223 -0.320 0.000 2.121 204 L HA 0.299 4.639 4.340 0.000 0.000 0.200 204 L C 2.256 179.048 176.870 -0.130 0.000 1.077 204 L CA 0.953 55.647 54.840 -0.242 0.000 0.766 204 L CB -0.382 41.453 42.059 -0.375 0.000 0.931 204 L HN 0.553 nan 8.230 nan 0.000 0.452 205 G N -0.417 108.299 108.800 -0.140 0.000 2.192 205 G HA2 -0.163 3.797 3.960 0.000 0.000 0.193 205 G HA3 -0.163 3.797 3.960 0.000 0.000 0.193 205 G C 0.313 175.189 174.900 -0.041 0.000 0.999 205 G CA -0.157 44.900 45.100 -0.071 0.000 0.659 205 G HN 0.495 nan 8.290 nan 0.000 0.503 206 A N 0.422 123.208 122.820 -0.056 0.000 2.462 206 A HA 0.607 4.927 4.320 0.000 0.000 0.243 206 A C 0.990 178.587 177.584 0.022 0.000 1.076 206 A CA 0.856 52.900 52.037 0.011 0.000 0.773 206 A CB 0.008 19.034 19.000 0.042 0.000 1.010 206 A HN 1.174 nan 8.150 nan 0.000 0.493 207 N N 0.764 119.515 118.700 0.084 0.000 2.171 207 N HA 0.296 5.036 4.740 0.000 0.000 0.212 207 N C -0.626 174.995 175.510 0.185 0.000 1.184 207 N CA -0.276 52.840 53.050 0.110 0.000 0.888 207 N CB 0.285 38.861 38.487 0.147 0.000 1.038 207 N HN 0.514 nan 8.380 nan 0.000 0.517 208 I N 1.160 121.843 120.570 0.189 0.000 2.498 208 I HA 0.355 4.525 4.170 0.000 0.000 0.290 208 I C -1.276 174.946 176.117 0.175 0.000 1.032 208 I CA -1.055 60.379 61.300 0.223 0.000 1.073 208 I CB 2.094 40.270 38.000 0.293 0.000 1.251 208 I HN -0.061 nan 8.210 nan 0.000 0.426 209 L N 6.627 127.930 121.223 0.134 0.000 2.322 209 L HA 0.438 4.778 4.340 0.000 0.000 0.281 209 L C -0.946 176.001 176.870 0.127 0.000 1.014 209 L CA -0.556 54.344 54.840 0.100 0.000 0.815 209 L CB 1.320 43.385 42.059 0.009 0.000 1.247 209 L HN 0.389 nan 8.230 nan 0.000 0.421 210 Y N 4.471 124.753 120.300 -0.029 0.000 2.331 210 Y HA 0.712 5.262 4.550 0.000 0.000 0.334 210 Y C -1.599 174.221 175.900 -0.133 0.000 0.960 210 Y CA -1.519 56.541 58.100 -0.066 0.000 1.130 210 Y CB 1.007 39.444 38.460 -0.040 0.000 1.164 210 Y HN 0.425 nan 8.280 nan 0.000 0.458 211 L N 5.942 126.956 121.223 -0.348 0.000 2.325 211 L HA 0.477 4.817 4.340 0.000 0.000 0.278 211 L C 0.008 176.489 176.870 -0.648 0.000 1.023 211 L CA -0.972 53.535 54.840 -0.556 0.000 0.811 211 L CB 1.623 43.447 42.059 -0.392 0.000 1.249 211 L HN 0.680 nan 8.230 nan 0.000 0.431 212 N N 2.070 120.345 118.700 -0.708 0.000 2.288 212 N HA 0.149 4.889 4.740 0.000 0.000 0.237 212 N C -2.492 172.684 175.510 -0.557 0.000 1.311 212 N CA -0.741 51.947 53.050 -0.603 0.000 0.909 212 N CB 0.032 38.137 38.487 -0.636 0.000 1.167 212 N HN 0.373 nan 8.380 nan 0.000 0.476 213 P HA -0.096 nan 4.420 nan 0.000 0.261 213 P C -0.046 177.010 177.300 -0.406 0.000 1.165 213 P CA 0.824 63.575 63.100 -0.582 0.000 0.759 213 P CB 0.142 31.410 31.700 -0.721 0.000 0.772 214 I N -1.811 118.452 120.570 -0.512 0.000 4.338 214 I HA 0.299 4.469 4.170 0.000 0.000 0.329 214 I C -0.217 175.793 176.117 -0.177 0.000 1.378 214 I CA -0.204 60.986 61.300 -0.185 0.000 1.170 214 I CB 0.086 37.934 38.000 -0.253 0.000 1.206 214 I HN -0.084 nan 8.210 nan 0.000 0.432 215 F N 2.374 122.279 119.950 -0.075 0.000 2.378 215 F HA 0.387 4.914 4.527 0.000 0.000 0.319 215 F C 1.045 176.732 175.800 -0.187 0.000 1.155 215 F CA -1.269 56.670 58.000 -0.102 0.000 1.157 215 F CB 0.348 39.301 39.000 -0.079 0.000 1.252 215 F HN -0.099 nan 8.300 nan 0.000 0.550 216 K N 1.357 121.775 120.400 0.030 0.000 2.466 216 K HA 0.385 4.705 4.320 0.000 0.000 0.278 216 K C -0.903 175.595 176.600 -0.170 0.000 1.048 216 K CA 0.284 56.498 56.287 -0.121 0.000 1.088 216 K CB -0.243 32.185 32.500 -0.119 0.000 0.884 216 K HN 0.797 nan 8.250 nan 0.000 0.478 217 A N 5.588 128.282 122.820 -0.209 0.000 2.594 217 A HA 0.391 4.711 4.320 0.000 0.000 0.296 217 A C -2.421 175.037 177.584 -0.210 0.000 1.061 217 A CA -1.155 50.760 52.037 -0.204 0.000 0.689 217 A CB 1.551 20.431 19.000 -0.200 0.000 1.280 217 A HN 0.608 nan 8.150 nan 0.000 0.406 218 P HA -0.036 nan 4.420 nan 0.000 0.220 218 P C 0.958 178.280 177.300 0.038 0.000 1.152 218 P CA 1.754 64.767 63.100 -0.145 0.000 0.812 218 P CB -0.227 31.294 31.700 -0.298 0.000 0.792 219 T N -1.445 112.991 114.554 -0.197 0.000 2.732 219 T HA 0.112 4.462 4.350 0.000 0.000 0.287 219 T C 1.370 175.994 174.700 -0.127 0.000 0.993 219 T CA -0.322 61.647 62.100 -0.219 0.000 0.966 219 T CB 0.040 68.507 68.868 -0.669 0.000 1.047 219 T HN 0.192 nan 8.240 nan 0.000 0.527 220 N N -0.145 118.360 118.700 -0.324 0.000 2.424 220 N HA -0.119 4.621 4.740 0.000 0.000 0.178 220 N C 1.728 177.209 175.510 -0.048 0.000 1.060 220 N CA 0.377 53.253 53.050 -0.290 0.000 0.901 220 N CB -0.397 37.752 38.487 -0.564 0.000 0.979 220 N HN 0.860 nan 8.380 nan 0.000 0.451 221 H N 0.618 119.732 119.070 0.073 0.000 2.520 221 H HA 0.228 4.784 4.556 0.000 0.000 0.279 221 H C 0.023 175.255 175.328 -0.160 0.000 0.990 221 H CA 0.265 56.342 56.048 0.047 0.000 1.288 221 H CB 0.059 30.074 29.762 0.422 0.000 1.446 221 H HN -0.000 nan 8.280 nan 0.000 0.538 222 K N -0.112 120.077 120.400 -0.351 0.000 3.129 222 K HA -0.229 4.091 4.320 0.000 0.000 0.273 222 K C -0.490 176.015 176.600 -0.157 0.000 1.123 222 K CA 0.741 56.869 56.287 -0.265 0.000 0.800 222 K CB -2.131 30.213 32.500 -0.261 0.000 1.238 222 K HN 0.404 nan 8.250 nan 0.000 0.492 223 Y N 1.050 121.510 120.300 0.267 0.000 2.490 223 Y HA -0.030 4.520 4.550 0.000 0.000 0.281 223 Y C 1.207 177.228 175.900 0.201 0.000 1.174 223 Y CA 0.546 58.783 58.100 0.229 0.000 1.295 223 Y CB 0.374 38.982 38.460 0.248 0.000 1.062 223 Y HN 0.208 nan 8.280 nan 0.000 0.522 224 D N -0.346 120.189 120.400 0.224 0.000 2.772 224 D HA 0.055 4.695 4.640 0.000 0.000 0.273 224 D C -0.288 176.026 176.300 0.024 0.000 1.233 224 D CA -0.260 53.835 54.000 0.158 0.000 0.984 224 D CB -0.327 40.536 40.800 0.104 0.000 1.000 224 D HN -0.103 nan 8.370 nan 0.000 0.514 225 T N 0.779 115.322 114.554 -0.019 0.000 2.891 225 T HA -0.090 4.260 4.350 0.000 0.000 0.296 225 T C 0.969 175.585 174.700 -0.140 0.000 1.025 225 T CA 0.403 62.379 62.100 -0.206 0.000 1.149 225 T CB 1.812 70.310 68.868 -0.615 0.000 1.007 225 T HN 0.419 nan 8.240 nan 0.000 0.528 226 Q N 0.904 120.560 119.800 -0.239 0.000 2.431 226 Q HA 0.088 4.428 4.340 0.000 0.000 0.244 226 Q C -0.296 175.285 176.000 -0.698 0.000 0.880 226 Q CA 0.194 55.797 55.803 -0.332 0.000 0.954 226 Q CB 0.800 29.431 28.738 -0.178 0.000 1.105 226 Q HN 0.641 nan 8.270 nan 0.000 0.558 227 D N -0.891 119.223 120.400 -0.476 0.000 2.365 227 D HA 0.095 4.735 4.640 0.000 0.000 0.235 227 D C -0.627 175.531 176.300 -0.236 0.000 1.368 227 D CA -0.379 53.373 54.000 -0.413 0.000 1.001 227 D CB 0.348 40.973 40.800 -0.291 0.000 1.364 227 D HN 0.068 nan 8.370 nan 0.000 0.577 228 Y N 1.836 122.048 120.300 -0.147 0.000 2.421 228 Y HA -0.072 4.478 4.550 0.000 0.000 0.292 228 Y C 2.047 177.663 175.900 -0.474 0.000 1.136 228 Y CA 0.708 58.645 58.100 -0.271 0.000 1.255 228 Y CB 0.078 38.492 38.460 -0.078 0.000 0.991 228 Y HN 0.397 nan 8.280 nan 0.000 0.552 229 M N -0.654 118.910 119.600 -0.059 0.000 2.561 229 M HA 0.303 4.783 4.480 0.000 0.000 0.238 229 M C 0.338 176.649 176.300 0.018 0.000 1.131 229 M CA -0.037 55.241 55.300 -0.037 0.000 1.046 229 M CB -1.019 31.574 32.600 -0.011 0.000 1.532 229 M HN 0.054 nan 8.290 nan 0.000 0.497 230 A N 0.520 123.352 122.820 0.020 0.000 2.374 230 A HA 0.646 4.966 4.320 0.000 0.000 0.305 230 A C -0.302 177.402 177.584 0.199 0.000 1.053 230 A CA -0.643 51.453 52.037 0.099 0.000 0.726 230 A CB 1.419 20.439 19.000 0.034 0.000 1.229 230 A HN -0.010 nan 8.150 nan 0.000 0.431 231 V N 2.812 122.878 119.914 0.252 0.000 2.655 231 V HA 0.015 4.135 4.120 0.000 0.000 0.300 231 V C 0.772 176.928 176.094 0.104 0.000 1.044 231 V CA -0.089 62.367 62.300 0.260 0.000 1.095 231 V CB 0.968 32.931 31.823 0.232 0.000 0.952 231 V HN 0.935 nan 8.190 nan 0.000 0.485 232 D N 7.573 127.975 120.400 0.003 0.000 2.450 232 D HA 0.024 4.664 4.640 0.000 0.000 0.247 232 D C -1.188 175.022 176.300 -0.149 0.000 1.162 232 D CA -1.233 52.659 54.000 -0.180 0.000 0.879 232 D CB 1.735 42.252 40.800 -0.472 0.000 1.163 232 D HN 0.313 nan 8.370 nan 0.000 0.472 233 P HA -0.198 nan 4.420 nan 0.000 0.218 233 P C 0.951 178.212 177.300 -0.066 0.000 1.146 233 P CA 1.075 64.132 63.100 -0.070 0.000 0.820 233 P CB 0.131 31.783 31.700 -0.080 0.000 0.778 234 A N -0.986 121.735 122.820 -0.163 0.000 2.015 234 A HA -0.057 4.263 4.320 0.000 0.000 0.219 234 A C 1.994 179.675 177.584 0.162 0.000 1.163 234 A CA 0.875 52.856 52.037 -0.092 0.000 0.646 234 A CB -1.468 17.392 19.000 -0.234 0.000 0.806 234 A HN 0.221 nan 8.150 nan 0.000 0.448 235 F N -1.348 118.603 119.950 0.002 0.000 2.746 235 F HA 0.377 4.904 4.527 0.000 0.000 0.297 235 F C 1.529 177.330 175.800 0.002 0.000 1.113 235 F CA 0.050 58.049 58.000 -0.001 0.000 1.367 235 F CB 0.453 39.434 39.000 -0.033 0.000 1.111 235 F HN 0.486 nan 8.300 nan 0.000 0.590 236 G N 0.886 109.791 108.800 0.175 0.000 2.250 236 G HA2 0.007 3.967 3.960 0.000 0.000 0.252 236 G HA3 0.007 3.967 3.960 0.000 0.000 0.252 236 G C -2.148 172.811 174.900 0.098 0.000 1.325 236 G CA -0.410 44.756 45.100 0.111 0.000 1.091 236 G HN 0.148 nan 8.290 nan 0.000 0.476 237 D N -1.341 119.118 120.400 0.099 0.000 2.687 237 D HA 0.546 5.186 4.640 0.000 0.000 0.264 237 D C 0.835 177.230 176.300 0.159 0.000 1.091 237 D CA -0.680 53.386 54.000 0.109 0.000 1.123 237 D CB 0.226 41.074 40.800 0.079 0.000 1.407 237 D HN 0.221 nan 8.370 nan 0.000 0.591 238 N N -0.735 118.083 118.700 0.196 0.000 2.289 238 N HA -0.093 4.647 4.740 0.000 0.000 0.184 238 N C 1.419 177.082 175.510 0.256 0.000 1.016 238 N CA 1.176 54.412 53.050 0.310 0.000 0.872 238 N CB -0.156 38.555 38.487 0.373 0.000 0.973 238 N HN 0.303 nan 8.380 nan 0.000 0.433 239 S N -0.668 115.116 115.700 0.141 0.000 2.402 239 S HA -0.057 4.413 4.470 0.000 0.000 0.229 239 S C 1.841 176.484 174.600 0.071 0.000 1.021 239 S CA 1.130 59.374 58.200 0.075 0.000 0.974 239 S CB -0.347 62.878 63.200 0.043 0.000 0.800 239 S HN 0.427 nan 8.310 nan 0.000 0.484 240 T N 2.657 117.262 114.554 0.086 0.000 2.788 240 T HA -0.044 4.306 4.350 0.000 0.000 0.268 240 T C 1.747 176.493 174.700 0.076 0.000 1.044 240 T CA 0.989 63.130 62.100 0.068 0.000 1.139 240 T CB -0.377 68.535 68.868 0.074 0.000 0.867 240 T HN 0.210 nan 8.240 nan 0.000 0.454 241 L N 1.182 122.485 121.223 0.134 0.000 2.056 241 L HA -0.034 4.306 4.340 0.000 0.000 0.207 241 L C 2.439 179.391 176.870 0.136 0.000 1.078 241 L CA 1.709 56.642 54.840 0.154 0.000 0.749 241 L CB -0.783 41.441 42.059 0.276 0.000 0.901 241 L HN 0.210 nan 8.230 nan 0.000 0.433 242 Q N -1.151 118.732 119.800 0.137 0.000 2.096 242 Q HA -0.199 4.141 4.340 0.000 0.000 0.204 242 Q C 1.984 177.973 176.000 -0.017 0.000 0.982 242 Q CA 2.299 58.115 55.803 0.022 0.000 0.850 242 Q CB -0.331 28.357 28.738 -0.083 0.000 0.901 242 Q HN 0.554 nan 8.270 nan 0.000 0.422 243 T N 1.325 115.875 114.554 -0.007 0.000 2.777 243 T HA -0.126 4.224 4.350 0.000 0.000 0.266 243 T C 1.725 176.400 174.700 -0.042 0.000 1.040 243 T CA 0.965 63.051 62.100 -0.024 0.000 1.141 243 T CB -0.253 68.608 68.868 -0.012 0.000 0.868 243 T HN 0.141 nan 8.240 nan 0.000 0.444 244 L N 1.258 122.461 121.223 -0.033 0.000 2.042 244 L HA 0.011 4.351 4.340 0.000 0.000 0.210 244 L C 2.111 178.909 176.870 -0.121 0.000 1.076 244 L CA 1.554 56.359 54.840 -0.058 0.000 0.749 244 L CB -0.717 41.317 42.059 -0.042 0.000 0.893 244 L HN 0.280 nan 8.230 nan 0.000 0.432 245 I N -0.109 120.377 120.570 -0.140 0.000 2.179 245 I HA -0.311 3.859 4.170 0.000 0.000 0.242 245 I C 2.108 177.985 176.117 -0.399 0.000 1.088 245 I CA 1.286 62.398 61.300 -0.313 0.000 1.357 245 I CB -0.634 37.233 38.000 -0.222 0.000 1.051 245 I HN 0.390 nan 8.210 nan 0.000 0.409 246 N N 0.947 119.533 118.700 -0.190 0.000 2.120 246 N HA -0.186 4.555 4.740 0.000 0.000 0.188 246 N C 1.402 176.856 175.510 -0.094 0.000 1.024 246 N CA 1.501 54.487 53.050 -0.106 0.000 0.852 246 N CB -0.515 37.939 38.487 -0.055 0.000 1.003 246 N HN 0.357 nan 8.380 nan 0.000 0.424 247 D N 0.668 121.009 120.400 -0.099 0.000 2.224 247 D HA 0.023 4.663 4.640 0.000 0.000 0.205 247 D C 2.075 178.319 176.300 -0.094 0.000 0.965 247 D CA 0.285 54.238 54.000 -0.078 0.000 0.852 247 D CB -0.085 40.678 40.800 -0.062 0.000 0.947 247 D HN 0.309 nan 8.370 nan 0.000 0.494 248 I N 0.065 120.546 120.570 -0.149 0.000 2.286 248 I HA -0.203 3.967 4.170 0.000 0.000 0.245 248 I C 1.962 178.009 176.117 -0.116 0.000 1.104 248 I CA 0.993 62.202 61.300 -0.152 0.000 1.397 248 I CB -0.210 37.664 38.000 -0.211 0.000 1.072 248 I HN 0.108 nan 8.210 nan 0.000 0.417 249 H N -0.720 118.238 119.070 -0.187 0.000 2.495 249 H HA -0.006 4.550 4.556 0.000 0.000 0.287 249 H C 1.604 176.815 175.328 -0.196 0.000 1.033 249 H CA -0.013 55.888 56.048 -0.244 0.000 1.307 249 H CB 0.174 29.816 29.762 -0.199 0.000 1.401 249 H HN 0.177 nan 8.280 nan 0.000 0.555 250 S N 0.579 116.267 115.700 -0.020 0.000 2.573 250 S HA -0.031 4.439 4.470 0.000 0.000 0.277 250 S C 1.475 176.037 174.600 -0.063 0.000 1.346 250 S CA 0.226 58.400 58.200 -0.044 0.000 1.034 250 S CB 0.723 63.898 63.200 -0.042 0.000 0.879 250 S HN 0.483 nan 8.310 nan 0.000 0.528 251 T N 0.722 115.242 114.554 -0.058 0.000 3.044 251 T HA 0.421 4.771 4.350 0.000 0.000 0.260 251 T C 1.303 175.977 174.700 -0.044 0.000 1.019 251 T CA 0.208 62.275 62.100 -0.056 0.000 0.921 251 T CB 0.107 68.941 68.868 -0.055 0.000 1.053 251 T HN 0.590 nan 8.240 nan 0.000 0.533 252 A N 3.144 125.940 122.820 -0.040 0.000 2.067 252 A HA 0.080 4.400 4.320 0.000 0.000 0.217 252 A C 1.867 179.431 177.584 -0.034 0.000 1.156 252 A CA 0.934 52.950 52.037 -0.034 0.000 0.683 252 A CB -0.708 18.273 19.000 -0.032 0.000 0.808 252 A HN 0.842 nan 8.150 nan 0.000 0.455 253 N N -1.864 116.813 118.700 -0.038 0.000 2.234 253 N HA 0.432 5.172 4.740 0.000 0.000 0.227 253 N C 0.527 176.014 175.510 -0.038 0.000 1.151 253 N CA 0.274 53.302 53.050 -0.036 0.000 0.865 253 N CB 0.614 39.079 38.487 -0.038 0.000 1.066 253 N HN 0.445 nan 8.380 nan 0.000 0.515 254 G N 0.763 109.540 108.800 -0.039 0.000 2.302 254 G HA2 -0.019 3.941 3.960 0.000 0.000 0.276 254 G HA3 -0.019 3.941 3.960 0.000 0.000 0.276 254 G C -3.187 171.688 174.900 -0.043 0.000 1.316 254 G CA -1.076 44.001 45.100 -0.039 0.000 0.988 254 G HN 0.001 nan 8.290 nan 0.000 0.479 255 P HA 0.276 nan 4.420 nan 0.000 0.269 255 P C -0.171 177.089 177.300 -0.068 0.000 1.215 255 P CA -0.143 62.934 63.100 -0.037 0.000 0.780 255 P CB 0.519 32.212 31.700 -0.013 0.000 0.898 256 K N 1.466 121.810 120.400 -0.094 0.000 2.524 256 K HA 0.237 4.557 4.320 0.000 0.000 0.279 256 K C 0.277 176.708 176.600 -0.281 0.000 0.993 256 K CA 0.233 56.401 56.287 -0.197 0.000 1.030 256 K CB -0.208 32.153 32.500 -0.232 0.000 0.891 256 K HN 0.657 nan 8.250 nan 0.000 0.488 257 G N 2.524 111.117 108.800 -0.346 0.000 2.537 257 G HA2 0.530 4.490 3.960 0.000 0.000 0.323 257 G HA3 0.530 4.490 3.960 0.000 0.000 0.323 257 G C -1.730 172.795 174.900 -0.624 0.000 1.207 257 G CA -0.651 44.255 45.100 -0.323 0.000 0.976 257 G HN 0.567 nan 8.290 nan 0.000 0.487 258 Y N -1.224 118.980 120.300 -0.160 0.000 2.512 258 Y HA 0.573 5.123 4.550 0.000 0.000 0.348 258 Y C -0.487 175.325 175.900 -0.146 0.000 0.990 258 Y CA -0.907 57.019 58.100 -0.289 0.000 1.033 258 Y CB 2.661 40.610 38.460 -0.852 0.000 1.259 258 Y HN 0.491 nan 8.280 nan 0.000 0.461 259 L N 4.248 125.490 121.223 0.031 0.000 2.333 259 L HA 0.679 5.019 4.340 0.000 0.000 0.280 259 L C -1.434 175.444 176.870 0.013 0.000 1.004 259 L CA -0.578 54.261 54.840 -0.003 0.000 0.820 259 L CB 0.912 42.917 42.059 -0.090 0.000 1.247 259 L HN 0.563 nan 8.230 nan 0.000 0.416 260 I N 6.020 126.619 120.570 0.049 0.000 2.378 260 I HA 0.377 4.547 4.170 0.000 0.000 0.291 260 I C -0.589 175.535 176.117 0.012 0.000 0.992 260 I CA -0.563 60.760 61.300 0.038 0.000 1.154 260 I CB 1.580 39.650 38.000 0.115 0.000 1.315 260 I HN 0.484 nan 8.210 nan 0.000 0.448 261 L N 4.576 125.696 121.223 -0.172 0.000 2.352 261 L HA 0.430 4.770 4.340 0.000 0.000 0.269 261 L C -0.035 176.909 176.870 0.122 0.000 1.034 261 L CA -0.741 53.997 54.840 -0.170 0.000 0.806 261 L CB 1.274 43.021 42.059 -0.520 0.000 1.244 261 L HN 0.502 nan 8.230 nan 0.000 0.447 262 D N 1.279 121.750 120.400 0.118 0.000 2.316 262 D HA 0.240 4.880 4.640 0.000 0.000 0.245 262 D C -0.147 176.264 176.300 0.184 0.000 1.171 262 D CA -0.017 54.089 54.000 0.177 0.000 0.856 262 D CB 1.647 42.469 40.800 0.037 0.000 1.090 262 D HN 0.630 nan 8.370 nan 0.000 0.476 263 G N 2.797 111.659 108.800 0.104 0.000 2.428 263 G HA2 0.387 4.347 3.960 0.000 0.000 0.320 263 G HA3 0.387 4.347 3.960 0.000 0.000 0.320 263 G C -0.126 174.180 174.900 -0.991 0.000 1.098 263 G CA -0.488 44.223 45.100 -0.649 0.000 0.984 263 G HN 0.358 nan 8.290 nan 0.000 0.444 264 V N 3.888 123.452 119.914 -0.584 0.000 2.258 264 V HA 0.225 4.345 4.120 0.000 0.000 0.258 264 V C -0.053 175.996 176.094 -0.074 0.000 1.121 264 V CA -0.405 61.752 62.300 -0.238 0.000 0.942 264 V CB -0.316 31.526 31.823 0.032 0.000 1.170 264 V HN 0.666 nan 8.190 nan 0.000 0.487 265 F N 1.095 121.102 119.950 0.095 0.000 2.678 265 F HA 0.215 4.742 4.527 0.000 0.000 0.305 265 F C 1.898 177.803 175.800 0.175 0.000 1.090 265 F CA -0.479 57.592 58.000 0.119 0.000 1.272 265 F CB -0.405 38.660 39.000 0.108 0.000 1.060 265 F HN 0.465 nan 8.300 nan 0.000 0.576 266 N N 0.273 119.089 118.700 0.193 0.000 2.354 266 N HA -0.096 4.644 4.740 0.000 0.000 0.179 266 N C 0.058 175.764 175.510 0.328 0.000 1.021 266 N CA 0.827 54.048 53.050 0.286 0.000 0.887 266 N CB 0.199 38.908 38.487 0.370 0.000 0.974 266 N HN 0.375 nan 8.380 nan 0.000 0.437 267 H N -2.332 116.945 119.070 0.345 0.000 2.990 267 H HA 0.291 4.847 4.556 0.000 0.000 0.336 267 H C -0.945 174.587 175.328 0.340 0.000 1.306 267 H CA -0.686 55.550 56.048 0.313 0.000 1.118 267 H CB 1.161 31.092 29.762 0.282 0.000 1.856 267 H HN -0.010 nan 8.280 nan 0.000 0.538 268 T N -1.720 113.115 114.554 0.469 0.000 2.883 268 T HA 0.624 4.974 4.350 0.000 0.000 0.284 268 T C 0.577 175.449 174.700 0.286 0.000 1.041 268 T CA -0.386 61.926 62.100 0.353 0.000 1.007 268 T CB 1.655 70.699 68.868 0.294 0.000 1.220 268 T HN 0.854 nan 8.240 nan 0.000 0.552 269 G N -0.012 108.909 108.800 0.202 0.000 2.537 269 G HA2 0.398 4.358 3.960 0.000 0.000 0.273 269 G HA3 0.398 4.358 3.960 0.000 0.000 0.273 269 G C 0.482 175.465 174.900 0.138 0.000 1.189 269 G CA -0.327 44.876 45.100 0.173 0.000 0.881 269 G HN 0.844 nan 8.290 nan 0.000 0.535 270 D N -1.362 119.140 120.400 0.170 0.000 2.371 270 D HA -0.129 4.511 4.640 0.000 0.000 0.221 270 D C 1.964 178.497 176.300 0.389 0.000 0.986 270 D CA 1.008 55.101 54.000 0.155 0.000 0.899 270 D CB -0.070 40.856 40.800 0.211 0.000 0.902 270 D HN 0.314 nan 8.370 nan 0.000 0.530 271 S N -1.482 114.470 115.700 0.420 0.000 2.556 271 S HA 0.016 4.486 4.470 0.000 0.000 0.216 271 S C 0.508 175.316 174.600 0.347 0.000 0.970 271 S CA -0.674 57.799 58.200 0.455 0.000 0.912 271 S CB -0.861 62.608 63.200 0.447 0.000 0.790 271 S HN 0.419 nan 8.310 nan 0.000 0.504 272 H N 3.562 122.713 119.070 0.133 0.000 2.848 272 H HA 0.203 4.759 4.556 0.000 0.000 0.341 272 H C -1.272 173.959 175.328 -0.162 0.000 1.060 272 H CA -1.053 54.935 56.048 -0.100 0.000 1.444 272 H CB 1.006 30.681 29.762 -0.145 0.000 1.446 272 H HN -0.002 nan 8.280 nan 0.000 0.583 273 P HA -0.235 nan 4.420 nan 0.000 0.218 273 P C 0.888 178.063 177.300 -0.207 0.000 1.146 273 P CA 1.285 63.999 63.100 -0.644 0.000 0.813 273 P CB 0.098 30.997 31.700 -1.336 0.000 0.778 274 W N -1.322 119.906 121.300 -0.120 0.000 2.392 274 W HA -0.044 4.616 4.660 0.000 0.000 0.279 274 W C 2.235 178.939 176.519 0.308 0.000 1.225 274 W CA 0.371 57.571 57.345 -0.242 0.000 1.233 274 W CB -1.639 27.720 29.460 -0.168 0.000 1.122 274 W HN -0.017 nan 8.180 nan 0.000 0.561 275 F N 0.386 120.507 119.950 0.285 0.000 2.479 275 F HA 0.064 4.591 4.527 0.000 0.000 0.280 275 F C 0.615 176.507 175.800 0.154 0.000 0.982 275 F CA 1.027 59.050 58.000 0.038 0.000 1.276 275 F CB -0.360 38.470 39.000 -0.282 0.000 1.137 275 F HN -0.332 nan 8.300 nan 0.000 0.660 276 D N 1.285 121.867 120.400 0.303 0.000 2.735 276 D HA -0.265 4.375 4.640 0.000 0.000 0.235 276 D C 1.148 177.496 176.300 0.080 0.000 1.175 276 D CA 0.773 54.929 54.000 0.261 0.000 0.683 276 D CB -0.840 40.145 40.800 0.309 0.000 1.008 276 D HN 0.478 nan 8.370 nan 0.000 0.416 277 K N -0.461 119.866 120.400 -0.122 0.000 2.209 277 K HA -0.166 4.154 4.320 0.000 0.000 0.204 277 K C 1.124 177.330 176.600 -0.655 0.000 1.048 277 K CA 1.127 56.969 56.287 -0.742 0.000 0.940 277 K CB -0.028 31.841 32.500 -1.052 0.000 0.729 277 K HN 0.484 nan 8.250 nan 0.000 0.451 278 Y N 0.071 120.374 120.300 0.004 0.000 2.555 278 Y HA 0.189 4.739 4.550 0.000 0.000 0.259 278 Y C 0.026 175.955 175.900 0.048 0.000 1.179 278 Y CA -0.571 57.536 58.100 0.012 0.000 1.230 278 Y CB 0.088 38.545 38.460 -0.006 0.000 1.146 278 Y HN 0.101 nan 8.280 nan 0.000 0.526 279 N N 1.697 120.504 118.700 0.178 0.000 2.688 279 N HA -0.243 4.497 4.740 0.000 0.000 0.258 279 N C -0.105 175.471 175.510 0.109 0.000 1.016 279 N CA 0.536 53.686 53.050 0.167 0.000 0.747 279 N CB -1.173 37.393 38.487 0.131 0.000 0.895 279 N HN 0.363 nan 8.380 nan 0.000 0.543 280 N N -0.405 118.346 118.700 0.086 0.000 2.336 280 N HA 0.111 4.851 4.740 0.000 0.000 0.189 280 N C -0.529 174.604 175.510 -0.628 0.000 1.113 280 N CA 0.663 53.560 53.050 -0.256 0.000 0.858 280 N CB 0.134 38.407 38.487 -0.358 0.000 0.970 280 N HN 0.353 nan 8.380 nan 0.000 0.471 281 F N -0.767 119.223 119.950 0.067 0.000 2.588 281 F HA 0.206 4.733 4.527 0.000 0.000 0.314 281 F C 1.464 177.316 175.800 0.088 0.000 1.069 281 F CA -1.071 56.966 58.000 0.062 0.000 0.931 281 F CB 1.285 40.318 39.000 0.054 0.000 1.260 281 F HN -0.216 nan 8.300 nan 0.000 0.465 282 S N -0.950 114.905 115.700 0.259 0.000 2.481 282 S HA -0.024 4.446 4.470 0.000 0.000 0.231 282 S C 0.637 175.364 174.600 0.212 0.000 0.996 282 S CA 0.361 58.672 58.200 0.185 0.000 0.942 282 S CB -0.782 62.499 63.200 0.135 0.000 0.768 282 S HN 0.570 nan 8.310 nan 0.000 0.520 283 S N 1.020 116.892 115.700 0.287 0.000 2.614 283 S HA 0.347 4.817 4.470 0.000 0.000 0.265 283 S C -0.401 174.399 174.600 0.333 0.000 1.303 283 S CA -0.859 57.530 58.200 0.316 0.000 1.000 283 S CB 0.361 63.830 63.200 0.448 0.000 0.935 283 S HN 0.465 nan 8.310 nan 0.000 0.551 284 Q N 0.743 120.734 119.800 0.317 0.000 2.360 284 Q HA 0.473 4.813 4.340 0.000 0.000 0.254 284 Q C 0.428 176.684 176.000 0.428 0.000 0.975 284 Q CA -0.506 55.467 55.803 0.284 0.000 0.912 284 Q CB 1.483 30.312 28.738 0.152 0.000 1.212 284 Q HN 0.876 nan 8.270 nan 0.000 0.452 285 G N 0.763 109.807 108.800 0.406 0.000 2.547 285 G HA2 0.349 4.309 3.960 0.000 0.000 0.291 285 G HA3 0.349 4.309 3.960 0.000 0.000 0.291 285 G C 0.796 175.919 174.900 0.372 0.000 1.211 285 G CA -0.002 45.375 45.100 0.460 0.000 0.950 285 G HN 0.695 nan 8.290 nan 0.000 0.504 286 A N -0.370 122.698 122.820 0.415 0.000 1.948 286 A HA -0.173 4.147 4.320 0.000 0.000 0.220 286 A C 2.033 179.824 177.584 0.345 0.000 1.177 286 A CA 2.064 54.386 52.037 0.475 0.000 0.636 286 A CB -0.789 18.587 19.000 0.627 0.000 0.815 286 A HN 0.814 nan 8.150 nan 0.000 0.449 287 Y N 0.641 120.776 120.300 -0.275 0.000 2.293 287 Y HA -0.123 4.427 4.550 0.000 0.000 0.291 287 Y C 2.172 178.022 175.900 -0.083 0.000 1.137 287 Y CA 2.016 59.865 58.100 -0.419 0.000 1.202 287 Y CB -0.049 37.832 38.460 -0.964 0.000 0.990 287 Y HN 0.495 nan 8.280 nan 0.000 0.537 288 E N -0.827 119.463 120.200 0.150 0.000 2.122 288 E HA -0.001 4.349 4.350 0.000 0.000 0.190 288 E C 0.362 177.132 176.600 0.284 0.000 0.977 288 E CA 0.834 57.334 56.400 0.168 0.000 0.820 288 E CB 0.197 30.009 29.700 0.187 0.000 0.770 288 E HN 0.118 nan 8.360 nan 0.000 0.462 289 S N -0.655 115.204 115.700 0.265 0.000 2.543 289 S HA 0.114 4.584 4.470 0.000 0.000 0.271 289 S C -0.255 174.147 174.600 -0.329 0.000 1.148 289 S CA -0.669 57.543 58.200 0.019 0.000 0.914 289 S CB 1.534 64.721 63.200 -0.021 0.000 1.096 289 S HN 0.013 nan 8.310 nan 0.000 0.471 290 Q N 1.967 121.196 119.800 -0.952 0.000 2.482 290 Q HA 0.116 4.456 4.340 0.000 0.000 0.209 290 Q C 0.668 176.073 176.000 -0.992 0.000 0.961 290 Q CA 0.419 55.261 55.803 -1.600 0.000 0.945 290 Q CB 0.132 27.809 28.738 -1.768 0.000 1.012 290 Q HN 0.534 nan 8.270 nan 0.000 0.515 291 S N 0.086 115.476 115.700 -0.516 0.000 2.539 291 S HA 0.044 4.514 4.470 0.000 0.000 0.221 291 S C 0.436 174.919 174.600 -0.194 0.000 0.987 291 S CA -0.283 57.729 58.200 -0.313 0.000 0.929 291 S CB 0.567 63.623 63.200 -0.239 0.000 0.832 291 S HN 0.239 nan 8.310 nan 0.000 0.492 292 S N 3.416 119.044 115.700 -0.120 0.000 2.558 292 S HA 0.079 4.549 4.470 0.000 0.000 0.288 292 S C -1.204 173.307 174.600 -0.148 0.000 1.318 292 S CA -1.008 57.172 58.200 -0.033 0.000 1.056 292 S CB 0.723 64.046 63.200 0.205 0.000 0.853 292 S HN 0.162 nan 8.310 nan 0.000 0.505 293 P HA -0.016 nan 4.420 nan 0.000 0.225 293 P C 0.376 177.258 177.300 -0.698 0.000 1.148 293 P CA 1.068 63.772 63.100 -0.659 0.000 0.779 293 P CB 0.027 31.111 31.700 -1.027 0.000 0.780 294 W N -2.275 118.918 121.300 -0.177 0.000 2.966 294 W HA 0.203 4.863 4.660 0.000 0.000 0.406 294 W C 1.482 177.991 176.519 -0.017 0.000 1.027 294 W CA -0.736 56.313 57.345 -0.493 0.000 1.930 294 W CB -1.035 28.045 29.460 -0.633 0.000 1.144 294 W HN -0.044 nan 8.180 nan 0.000 0.626 295 Y N 2.781 123.175 120.300 0.156 0.000 2.151 295 Y HA -0.249 4.301 4.550 0.000 0.000 0.284 295 Y C 1.764 177.877 175.900 0.356 0.000 1.166 295 Y CA 1.957 60.214 58.100 0.262 0.000 1.163 295 Y CB -0.418 38.078 38.460 0.061 0.000 0.974 295 Y HN -0.199 nan 8.280 nan 0.000 0.511 296 N N -0.780 118.060 118.700 0.233 0.000 2.434 296 N HA -0.094 4.646 4.740 0.000 0.000 0.196 296 N C 0.815 176.419 175.510 0.156 0.000 1.183 296 N CA 0.527 53.662 53.050 0.141 0.000 0.849 296 N CB -0.390 38.184 38.487 0.146 0.000 0.992 296 N HN 0.567 nan 8.380 nan 0.000 0.460 297 Y N -0.830 119.413 120.300 -0.094 0.000 2.544 297 Y HA -0.010 4.540 4.550 0.000 0.000 0.286 297 Y C 0.145 175.673 175.900 -0.620 0.000 1.141 297 Y CA 0.181 58.036 58.100 -0.408 0.000 1.299 297 Y CB 0.296 38.423 38.460 -0.555 0.000 1.030 297 Y HN -0.012 nan 8.280 nan 0.000 0.543 298 Y N -1.486 118.872 120.300 0.096 0.000 2.662 298 Y HA 0.430 4.980 4.550 0.000 0.000 0.335 298 Y C -0.086 175.709 175.900 -0.176 0.000 1.066 298 Y CA -1.487 56.583 58.100 -0.050 0.000 1.116 298 Y CB 1.462 39.884 38.460 -0.064 0.000 1.308 298 Y HN -0.455 nan 8.280 nan 0.000 0.502 299 T N 2.117 116.603 114.554 -0.113 0.000 2.815 299 T HA 0.504 4.854 4.350 0.000 0.000 0.289 299 T C -1.312 173.157 174.700 -0.386 0.000 1.000 299 T CA -0.574 61.426 62.100 -0.168 0.000 0.958 299 T CB -0.117 68.680 68.868 -0.117 0.000 0.944 299 T HN 0.218 nan 8.240 nan 0.000 0.442 300 F N 2.017 121.959 119.950 -0.014 0.000 2.420 300 F HA 0.434 4.961 4.527 0.000 0.000 0.342 300 F C 0.595 176.416 175.800 0.035 0.000 1.113 300 F CA -0.878 57.167 58.000 0.076 0.000 1.059 300 F CB 1.025 40.221 39.000 0.326 0.000 1.128 300 F HN 0.575 nan 8.300 nan 0.000 0.475 301 Y N 0.081 120.616 120.300 0.392 0.000 2.301 301 Y HA 0.116 4.666 4.550 0.000 0.000 0.295 301 Y C 0.971 177.036 175.900 0.274 0.000 1.119 301 Y CA 0.242 58.497 58.100 0.259 0.000 1.162 301 Y CB -0.101 38.459 38.460 0.167 0.000 1.046 301 Y HN 0.306 nan 8.280 nan 0.000 0.538 302 T N -0.015 114.818 114.554 0.465 0.000 3.089 302 T HA 0.089 4.439 4.350 0.000 0.000 0.340 302 T C -1.385 173.544 174.700 0.381 0.000 1.008 302 T CA -0.604 61.708 62.100 0.353 0.000 1.096 302 T CB 0.096 69.111 68.868 0.245 0.000 1.024 302 T HN 0.185 nan 8.240 nan 0.000 0.477 303 W N 6.790 128.200 121.300 0.183 0.000 2.223 303 W HA 0.324 4.984 4.660 -0.000 0.000 0.334 303 W C -1.497 174.976 176.519 -0.076 0.000 1.334 303 W CA -1.068 56.258 57.345 -0.032 0.000 1.246 303 W CB 0.932 30.242 29.460 -0.248 0.000 1.184 303 W HN 0.393 nan 8.180 nan 0.000 0.563 304 P HA 0.044 nan 4.420 nan 0.000 0.281 304 P C 0.477 177.766 177.300 -0.018 0.000 1.291 304 P CA 0.575 62.934 63.100 -1.235 0.000 0.906 304 P CB 0.711 30.951 31.700 -2.434 0.000 1.388 305 D N 0.273 120.709 120.400 0.060 0.000 2.224 305 D HA -0.035 4.605 4.640 0.000 0.000 0.205 305 D C 0.609 177.085 176.300 0.294 0.000 0.965 305 D CA 1.064 55.239 54.000 0.291 0.000 0.852 305 D CB 0.169 41.045 40.800 0.126 0.000 0.947 305 D HN 0.146 nan 8.370 nan 0.000 0.494 306 S N -0.249 115.647 115.700 0.327 0.000 2.530 306 S HA 0.450 4.920 4.470 0.000 0.000 0.322 306 S C -1.187 173.615 174.600 0.337 0.000 1.085 306 S CA -0.813 57.516 58.200 0.214 0.000 1.096 306 S CB 0.088 63.448 63.200 0.267 0.000 0.988 306 S HN 0.151 nan 8.310 nan 0.000 0.466 307 Y N 1.423 121.835 120.300 0.186 0.000 2.625 307 Y HA 0.814 5.364 4.550 0.000 0.000 0.338 307 Y C -0.221 175.552 175.900 -0.212 0.000 1.123 307 Y CA -1.581 56.388 58.100 -0.219 0.000 1.046 307 Y CB 0.470 38.746 38.460 -0.307 0.000 1.299 307 Y HN 0.606 nan 8.280 nan 0.000 0.464 308 A N 1.729 124.378 122.820 -0.285 0.000 2.498 308 A HA 0.575 4.895 4.320 0.000 0.000 0.239 308 A C 0.233 177.924 177.584 0.178 0.000 1.068 308 A CA 0.692 52.741 52.037 0.020 0.000 0.766 308 A CB -0.585 18.417 19.000 0.003 0.000 1.003 308 A HN 1.409 nan 8.150 nan 0.000 0.497 309 S N 1.002 116.796 115.700 0.156 0.000 2.688 309 S HA 0.622 5.092 4.470 0.000 0.000 0.275 309 S C -0.714 173.939 174.600 0.088 0.000 1.175 309 S CA -0.653 57.642 58.200 0.159 0.000 0.818 309 S CB 0.601 63.874 63.200 0.122 0.000 1.157 309 S HN 1.210 nan 8.310 nan 0.000 0.482 310 F N 2.846 122.754 119.950 -0.070 0.000 2.438 310 F HA 0.504 5.031 4.527 0.000 0.000 0.360 310 F C 0.852 176.565 175.800 -0.144 0.000 1.118 310 F CA -0.546 57.349 58.000 -0.176 0.000 1.164 310 F CB -0.337 38.410 39.000 -0.421 0.000 1.131 310 F HN 0.650 nan 8.300 nan 0.000 0.527 311 L N 6.505 127.168 121.223 -0.933 0.000 3.737 311 L HA -0.320 4.020 4.340 0.000 0.000 0.418 311 L C 1.232 177.652 176.870 -0.750 0.000 1.216 311 L CA 0.741 55.055 54.840 -0.878 0.000 0.915 311 L CB -2.060 39.355 42.059 -1.073 0.000 1.834 311 L HN 1.163 nan 8.230 nan 0.000 0.943 312 G N -1.872 106.648 108.800 -0.468 0.000 2.184 312 G HA2 -0.344 3.616 3.960 0.000 0.000 0.264 312 G HA3 -0.344 3.616 3.960 0.000 0.000 0.264 312 G C 0.024 174.709 174.900 -0.358 0.000 0.975 312 G CA 0.307 45.169 45.100 -0.396 0.000 0.642 312 G HN 0.297 nan 8.290 nan 0.000 0.536 313 F N 1.675 121.589 119.950 -0.060 0.000 2.438 313 F HA 0.389 4.916 4.527 0.000 0.000 0.360 313 F C 1.441 177.275 175.800 0.055 0.000 1.118 313 F CA -1.009 57.001 58.000 0.018 0.000 1.164 313 F CB 0.735 39.775 39.000 0.067 0.000 1.131 313 F HN -0.104 nan 8.300 nan 0.000 0.527 314 N N 0.925 119.759 118.700 0.223 0.000 2.443 314 N HA -0.158 4.582 4.740 0.000 0.000 0.184 314 N C 1.868 177.589 175.510 0.352 0.000 1.037 314 N CA 1.208 54.391 53.050 0.221 0.000 0.896 314 N CB -0.135 38.447 38.487 0.159 0.000 0.959 314 N HN 0.555 nan 8.380 nan 0.000 0.442 315 S N -0.294 115.604 115.700 0.330 0.000 2.561 315 S HA 0.061 4.531 4.470 0.000 0.000 0.225 315 S C 0.828 175.568 174.600 0.235 0.000 0.977 315 S CA 0.182 58.577 58.200 0.324 0.000 0.926 315 S CB -0.126 63.287 63.200 0.354 0.000 0.769 315 S HN 0.185 nan 8.310 nan 0.000 0.533 316 L N 2.671 124.023 121.223 0.214 0.000 2.556 316 L HA 0.424 4.764 4.340 0.000 0.000 0.243 316 L C -2.772 174.185 176.870 0.145 0.000 1.331 316 L CA -2.121 52.804 54.840 0.141 0.000 0.927 316 L CB 1.241 43.292 42.059 -0.014 0.000 1.219 316 L HN -0.040 nan 8.230 nan 0.000 0.490 317 P HA -0.033 nan 4.420 nan 0.000 0.267 317 P C -0.560 176.902 177.300 0.271 0.000 1.205 317 P CA -0.005 63.053 63.100 -0.070 0.000 0.765 317 P CB 1.034 32.026 31.700 -1.178 0.000 0.828 318 K N 3.923 124.507 120.400 0.306 0.000 2.322 318 K HA 0.228 4.548 4.320 0.000 0.000 0.283 318 K C -0.022 176.719 176.600 0.235 0.000 1.042 318 K CA -0.545 55.938 56.287 0.327 0.000 0.958 318 K CB 0.175 32.836 32.500 0.268 0.000 0.984 318 K HN 0.466 nan 8.250 nan 0.000 0.473 319 L N 3.707 125.032 121.223 0.171 0.000 2.380 319 L HA 0.083 4.423 4.340 0.000 0.000 0.273 319 L C 0.314 177.160 176.870 -0.040 0.000 1.138 319 L CA -0.479 54.301 54.840 -0.100 0.000 0.832 319 L CB 0.580 42.555 42.059 -0.140 0.000 1.124 319 L HN 0.653 nan 8.230 nan 0.000 0.454 320 N N 2.047 120.630 118.700 -0.196 0.000 2.437 320 N HA 0.067 4.807 4.740 0.000 0.000 0.243 320 N C 0.207 175.597 175.510 -0.201 0.000 1.041 320 N CA 0.035 53.029 53.050 -0.094 0.000 0.940 320 N CB 0.379 38.815 38.487 -0.086 0.000 1.133 320 N HN 0.350 nan 8.380 nan 0.000 0.506 321 Y N 2.997 123.211 120.300 -0.143 0.000 2.616 321 Y HA 0.097 4.647 4.550 0.000 0.000 0.296 321 Y C 1.990 177.803 175.900 -0.145 0.000 1.154 321 Y CA 0.764 58.763 58.100 -0.170 0.000 1.325 321 Y CB -0.229 38.152 38.460 -0.131 0.000 1.007 321 Y HN 0.792 nan 8.280 nan 0.000 0.542 322 G N 0.822 109.623 108.800 0.000 0.000 2.581 322 G HA2 -0.345 3.615 3.960 0.000 0.000 0.291 322 G HA3 -0.345 3.615 3.960 0.000 0.000 0.291 322 G C -0.098 174.809 174.900 0.012 0.000 1.277 322 G CA 0.155 45.247 45.100 -0.014 0.000 0.959 322 G HN 0.333 nan 8.290 nan 0.000 0.554 323 N N -0.111 118.585 118.700 -0.007 0.000 2.502 323 N HA 0.518 5.258 4.740 0.000 0.000 0.280 323 N C 0.284 175.793 175.510 -0.002 0.000 1.223 323 N CA -0.149 52.904 53.050 0.005 0.000 0.966 323 N CB 1.166 39.655 38.487 0.003 0.000 1.203 323 N HN 0.619 nan 8.380 nan 0.000 0.565 324 S N -0.407 115.301 115.700 0.013 0.000 2.558 324 S HA 0.254 4.724 4.470 0.000 0.000 0.293 324 S C 1.278 175.866 174.600 -0.019 0.000 1.292 324 S CA 0.829 59.038 58.200 0.015 0.000 1.063 324 S CB 0.086 63.303 63.200 0.029 0.000 0.831 324 S HN 0.813 nan 8.310 nan 0.000 0.499 325 G N 2.056 110.829 108.800 -0.045 0.000 2.176 325 G HA2 -0.303 3.657 3.960 0.000 0.000 0.253 325 G HA3 -0.303 3.657 3.960 0.000 0.000 0.253 325 G C 0.266 175.101 174.900 -0.109 0.000 0.979 325 G CA 0.203 45.260 45.100 -0.072 0.000 0.641 325 G HN 1.238 nan 8.290 nan 0.000 0.530 326 S N -0.053 115.567 115.700 -0.133 0.000 2.589 326 S HA 0.659 5.129 4.470 0.000 0.000 0.265 326 S C 1.837 176.282 174.600 -0.259 0.000 1.342 326 S CA 0.552 58.646 58.200 -0.176 0.000 1.005 326 S CB 1.599 64.684 63.200 -0.192 0.000 0.909 326 S HN 1.726 nan 8.310 nan 0.000 0.555 327 A N 1.610 124.266 122.820 -0.272 0.000 1.902 327 A HA 0.009 4.329 4.320 0.000 0.000 0.217 327 A C 2.184 179.423 177.584 -0.575 0.000 1.181 327 A CA 1.580 53.428 52.037 -0.315 0.000 0.623 327 A CB -1.275 17.621 19.000 -0.173 0.000 0.818 327 A HN 0.802 nan 8.150 nan 0.000 0.443 328 V N 0.094 119.515 119.914 -0.820 0.000 2.295 328 V HA -0.267 3.853 4.120 0.000 0.000 0.246 328 V C 2.616 178.223 176.094 -0.811 0.000 1.049 328 V CA 2.236 63.909 62.300 -1.044 0.000 1.024 328 V CB -0.793 30.336 31.823 -1.157 0.000 0.648 328 V HN 0.538 nan 8.190 nan 0.000 0.447 329 R N 0.064 120.177 120.500 -0.645 0.000 2.120 329 R HA -0.093 4.247 4.340 0.000 0.000 0.234 329 R C 2.408 178.222 176.300 -0.810 0.000 1.123 329 R CA 1.298 56.978 56.100 -0.700 0.000 0.975 329 R CB -0.699 29.320 30.300 -0.469 0.000 0.866 329 R HN 0.604 nan 8.270 nan 0.000 0.446 330 G N 0.833 109.315 108.800 -0.530 0.000 2.404 330 G HA2 -0.209 3.751 3.960 0.000 0.000 0.215 330 G HA3 -0.209 3.751 3.960 0.000 0.000 0.215 330 G C 1.497 176.201 174.900 -0.327 0.000 1.174 330 G CA 1.000 45.872 45.100 -0.381 0.000 0.780 330 G HN 0.300 nan 8.290 nan 0.000 0.537 331 V N -1.130 118.584 119.914 -0.335 0.000 2.809 331 V HA 0.043 4.163 4.120 0.000 0.000 0.256 331 V C 2.417 178.358 176.094 -0.254 0.000 1.080 331 V CA 0.810 62.984 62.300 -0.209 0.000 1.102 331 V CB -0.375 31.364 31.823 -0.139 0.000 0.705 331 V HN 0.206 nan 8.190 nan 0.000 0.475 332 I N 0.538 120.869 120.570 -0.398 0.000 2.429 332 I HA 0.052 4.222 4.170 0.000 0.000 0.247 332 I C 2.346 178.298 176.117 -0.276 0.000 1.099 332 I CA 2.270 63.308 61.300 -0.436 0.000 1.422 332 I CB -0.715 37.057 38.000 -0.380 0.000 1.112 332 I HN 0.680 nan 8.210 nan 0.000 0.430 333 Y N -2.373 117.808 120.300 -0.198 0.000 2.450 333 Y HA 0.377 4.927 4.550 0.000 0.000 0.279 333 Y C 1.669 177.521 175.900 -0.080 0.000 1.106 333 Y CA -0.406 57.621 58.100 -0.120 0.000 1.143 333 Y CB -0.829 37.635 38.460 0.007 0.000 1.328 333 Y HN -0.163 nan 8.280 nan 0.000 0.553 334 N N 1.358 119.866 118.700 -0.320 0.000 2.171 334 N HA -0.050 4.690 4.740 0.000 0.000 0.184 334 N C -0.290 175.175 175.510 -0.075 0.000 1.021 334 N CA 0.901 53.870 53.050 -0.135 0.000 0.854 334 N CB -0.419 37.929 38.487 -0.231 0.000 0.994 334 N HN 0.326 nan 8.380 nan 0.000 0.426 335 N N 0.400 119.034 118.700 -0.109 0.000 2.479 335 N HA -0.049 4.691 4.740 0.000 0.000 0.257 335 N C 1.113 176.611 175.510 -0.018 0.000 1.232 335 N CA 0.129 53.145 53.050 -0.057 0.000 0.920 335 N CB 0.848 39.298 38.487 -0.061 0.000 1.105 335 N HN 0.001 nan 8.380 nan 0.000 0.444 336 S N 1.141 116.841 115.700 -0.000 0.000 2.399 336 S HA -0.151 4.319 4.470 0.000 0.000 0.231 336 S C 0.949 175.559 174.600 0.017 0.000 1.022 336 S CA 1.407 59.617 58.200 0.018 0.000 0.983 336 S CB -0.396 62.817 63.200 0.021 0.000 0.803 336 S HN 0.785 nan 8.310 nan 0.000 0.480 337 N N 0.637 119.341 118.700 0.007 0.000 2.295 337 N HA 0.097 4.837 4.740 0.000 0.000 0.221 337 N C 0.249 175.755 175.510 -0.007 0.000 1.129 337 N CA 0.050 53.102 53.050 0.003 0.000 0.836 337 N CB 0.268 38.765 38.487 0.015 0.000 1.040 337 N HN 0.325 nan 8.380 nan 0.000 0.494 338 S N -0.640 115.050 115.700 -0.016 0.000 2.617 338 S HA 0.095 4.565 4.470 0.000 0.000 0.259 338 S C 1.557 176.148 174.600 -0.014 0.000 1.301 338 S CA -0.807 57.368 58.200 -0.042 0.000 0.984 338 S CB 1.212 64.365 63.200 -0.078 0.000 0.954 338 S HN -0.025 nan 8.310 nan 0.000 0.572 339 V N 1.535 121.416 119.914 -0.054 0.000 2.261 339 V HA -0.160 3.960 4.120 0.000 0.000 0.246 339 V C 3.018 179.276 176.094 0.274 0.000 1.047 339 V CA 2.307 64.650 62.300 0.070 0.000 1.015 339 V CB -1.950 29.809 31.823 -0.106 0.000 0.642 339 V HN 1.017 nan 8.190 nan 0.000 0.446 340 A N -0.047 122.787 122.820 0.024 0.000 1.865 340 A HA -0.255 4.065 4.320 0.000 0.000 0.217 340 A C 2.307 180.169 177.584 0.465 0.000 1.191 340 A CA 2.205 54.361 52.037 0.198 0.000 0.623 340 A CB -0.463 18.493 19.000 -0.073 0.000 0.826 340 A HN 0.565 nan 8.150 nan 0.000 0.444 341 K N -1.159 119.376 120.400 0.225 0.000 2.167 341 K HA -0.035 4.285 4.320 0.000 0.000 0.203 341 K C 2.080 178.782 176.600 0.171 0.000 1.052 341 K CA 1.361 57.764 56.287 0.193 0.000 0.956 341 K CB -0.329 32.231 32.500 0.101 0.000 0.735 341 K HN 0.446 nan 8.250 nan 0.000 0.451 342 T N 0.717 115.322 114.554 0.085 0.000 2.684 342 T HA -0.171 4.179 4.350 0.000 0.000 0.267 342 T C 1.506 176.133 174.700 -0.122 0.000 1.036 342 T CA 1.512 63.554 62.100 -0.096 0.000 1.148 342 T CB -0.315 68.333 68.868 -0.368 0.000 0.863 342 T HN 0.258 nan 8.240 nan 0.000 0.436 343 Y N 0.378 120.805 120.300 0.211 0.000 2.519 343 Y HA 0.266 4.816 4.550 0.000 0.000 0.287 343 Y C 1.996 178.031 175.900 0.226 0.000 1.128 343 Y CA 0.169 58.359 58.100 0.149 0.000 1.282 343 Y CB -0.234 38.311 38.460 0.142 0.000 1.027 343 Y HN 0.143 nan 8.280 nan 0.000 0.551 344 L N -0.633 120.812 121.223 0.370 0.000 2.375 344 L HA 0.015 4.355 4.340 0.000 0.000 0.215 344 L C 0.307 177.310 176.870 0.223 0.000 1.108 344 L CA 0.426 55.435 54.840 0.280 0.000 0.830 344 L CB -0.217 42.023 42.059 0.301 0.000 0.959 344 L HN 0.148 nan 8.230 nan 0.000 0.457 345 N N 0.132 118.960 118.700 0.213 0.000 2.476 345 N HA 0.232 4.972 4.740 0.000 0.000 0.275 345 N C -2.400 173.216 175.510 0.176 0.000 1.190 345 N CA -1.571 51.575 53.050 0.161 0.000 0.977 345 N CB 1.022 39.584 38.487 0.125 0.000 1.200 345 N HN -0.152 nan 8.380 nan 0.000 0.515 346 P HA 0.041 nan 4.420 nan 0.000 0.272 346 P C -2.188 175.122 177.300 0.015 0.000 1.230 346 P CA -0.801 62.331 63.100 0.052 0.000 0.788 346 P CB 0.204 31.917 31.700 0.022 0.000 0.949 347 P HA -0.016 nan 4.420 nan 0.000 0.249 347 P C 0.448 177.540 177.300 -0.347 0.000 1.241 347 P CA 0.867 63.804 63.100 -0.272 0.000 0.781 347 P CB -0.092 31.389 31.700 -0.366 0.000 1.088 348 Y N 0.306 120.653 120.300 0.078 0.000 2.265 348 Y HA 0.085 4.635 4.550 0.000 0.000 0.290 348 Y C 1.644 177.617 175.900 0.121 0.000 1.137 348 Y CA 0.532 58.702 58.100 0.116 0.000 1.147 348 Y CB -0.761 37.824 38.460 0.208 0.000 1.104 348 Y HN -0.223 nan 8.280 nan 0.000 0.514 349 S N 0.245 116.130 115.700 0.309 0.000 3.706 349 S HA -0.131 4.339 4.470 0.000 0.000 0.363 349 S C 0.053 174.809 174.600 0.260 0.000 0.999 349 S CA 0.052 58.396 58.200 0.240 0.000 1.143 349 S CB -2.418 60.897 63.200 0.191 0.000 0.902 349 S HN 0.414 nan 8.310 nan 0.000 0.476 350 V N -0.879 119.160 119.914 0.209 0.000 3.376 350 V HA 0.273 4.393 4.120 0.000 0.000 0.303 350 V C 1.104 177.258 176.094 0.102 0.000 1.100 350 V CA 0.182 62.543 62.300 0.102 0.000 1.126 350 V CB 0.725 32.510 31.823 -0.065 0.000 1.085 350 V HN 0.408 nan 8.190 nan 0.000 0.480 351 D N 1.166 121.616 120.400 0.084 0.000 2.363 351 D HA 0.408 5.048 4.640 0.000 0.000 0.214 351 D C 0.612 177.059 176.300 0.246 0.000 1.093 351 D CA 1.137 55.225 54.000 0.145 0.000 0.837 351 D CB 1.030 41.848 40.800 0.030 0.000 0.948 351 D HN 1.049 nan 8.370 nan 0.000 0.507 352 G N 0.360 109.197 108.800 0.062 0.000 2.316 352 G HA2 0.302 4.262 3.960 0.000 0.000 0.296 352 G HA3 0.302 4.262 3.960 0.000 0.000 0.296 352 G C -2.319 172.520 174.900 -0.101 0.000 1.399 352 G CA -1.076 44.086 45.100 0.103 0.000 0.833 352 G HN 0.048 nan 8.290 nan 0.000 0.565 353 W N 0.361 121.773 121.300 0.186 0.000 2.883 353 W HA 0.710 5.370 4.660 0.000 0.000 0.335 353 W C 0.171 176.669 176.519 -0.035 0.000 1.083 353 W CA -0.944 56.496 57.345 0.158 0.000 1.233 353 W CB 2.158 31.843 29.460 0.376 0.000 1.412 353 W HN 0.460 nan 8.180 nan 0.000 0.490 354 R N 4.256 124.842 120.500 0.142 0.000 2.255 354 R HA 0.416 4.756 4.340 0.000 0.000 0.326 354 R C -1.138 175.076 176.300 -0.144 0.000 0.986 354 R CA -0.462 55.537 56.100 -0.169 0.000 0.847 354 R CB 0.568 30.617 30.300 -0.418 0.000 1.111 354 R HN 0.750 nan 8.270 nan 0.000 0.452 355 L N 4.521 125.520 121.223 -0.373 0.000 2.312 355 L HA 0.189 4.529 4.340 0.000 0.000 0.287 355 L C 0.320 177.006 176.870 -0.307 0.000 1.091 355 L CA -0.618 53.948 54.840 -0.456 0.000 0.846 355 L CB 0.547 42.035 42.059 -0.951 0.000 1.219 355 L HN 0.529 nan 8.230 nan 0.000 0.439 356 D N 3.673 123.987 120.400 -0.142 0.000 2.458 356 D HA 0.258 4.898 4.640 0.000 0.000 0.243 356 D C 1.014 177.348 176.300 0.057 0.000 1.146 356 D CA 0.671 54.675 54.000 0.006 0.000 0.877 356 D CB 0.921 41.782 40.800 0.101 0.000 1.176 356 D HN 0.722 nan 8.370 nan 0.000 0.461 357 A N 3.083 125.998 122.820 0.158 0.000 2.748 357 A HA -0.207 4.113 4.320 0.000 0.000 0.297 357 A C 1.821 179.622 177.584 0.362 0.000 1.508 357 A CA 1.384 53.653 52.037 0.387 0.000 0.799 357 A CB -2.085 17.209 19.000 0.490 0.000 1.011 357 A HN 0.907 nan 8.150 nan 0.000 0.500 358 A N -0.291 122.620 122.820 0.153 0.000 1.986 358 A HA -0.198 4.122 4.320 0.000 0.000 0.220 358 A C 2.047 179.864 177.584 0.388 0.000 1.171 358 A CA 2.034 54.212 52.037 0.236 0.000 0.640 358 A CB -0.490 18.270 19.000 -0.401 0.000 0.811 358 A HN 1.370 nan 8.150 nan 0.000 0.451 359 Q N -1.853 117.997 119.800 0.082 0.000 2.291 359 Q HA -0.173 4.167 4.340 0.000 0.000 0.205 359 Q C 1.452 177.489 176.000 0.061 0.000 0.970 359 Q CA 1.721 57.530 55.803 0.010 0.000 0.876 359 Q CB -0.501 28.160 28.738 -0.127 0.000 0.935 359 Q HN 0.778 nan 8.270 nan 0.000 0.455 360 Y N 0.592 121.099 120.300 0.344 0.000 2.517 360 Y HA 0.172 4.722 4.550 0.000 0.000 0.281 360 Y C 0.907 176.936 175.900 0.215 0.000 1.125 360 Y CA -0.570 57.704 58.100 0.290 0.000 1.283 360 Y CB 0.652 39.318 38.460 0.343 0.000 1.042 360 Y HN -0.138 nan 8.280 nan 0.000 0.547 361 V N 2.725 122.812 119.914 0.289 0.000 2.584 361 V HA -0.105 4.015 4.120 0.000 0.000 0.303 361 V C -0.024 175.999 176.094 -0.119 0.000 1.035 361 V CA 0.902 63.183 62.300 -0.032 0.000 1.172 361 V CB 0.019 31.592 31.823 -0.417 0.000 0.896 361 V HN 0.311 nan 8.190 nan 0.000 0.486 362 D N 2.187 122.556 120.400 -0.050 0.000 2.738 362 D HA 0.670 5.310 4.640 0.000 0.000 0.308 362 D C -0.707 175.667 176.300 0.124 0.000 1.311 362 D CA 0.113 54.121 54.000 0.013 0.000 0.799 362 D CB 2.079 42.937 40.800 0.097 0.000 1.332 362 D HN 0.645 nan 8.370 nan 0.000 0.441 363 A N 0.038 122.918 122.820 0.101 0.000 2.299 363 A HA 0.657 4.977 4.320 0.000 0.000 0.332 363 A C 0.339 177.980 177.584 0.095 0.000 1.131 363 A CA 0.122 52.221 52.037 0.105 0.000 0.844 363 A CB 0.344 19.389 19.000 0.074 0.000 1.251 363 A HN 0.775 nan 8.150 nan 0.000 0.486 364 N N -0.487 118.260 118.700 0.078 0.000 2.713 364 N HA -0.261 4.479 4.740 0.000 0.000 0.251 364 N C 0.856 176.433 175.510 0.112 0.000 1.117 364 N CA 1.204 54.305 53.050 0.086 0.000 0.770 364 N CB -1.007 37.533 38.487 0.089 0.000 1.137 364 N HN 2.031 nan 8.380 nan 0.000 0.566 365 G N -1.191 107.680 108.800 0.118 0.000 2.159 365 G HA2 -0.326 3.634 3.960 0.000 0.000 0.256 365 G HA3 -0.326 3.634 3.960 0.000 0.000 0.256 365 G C 0.098 175.115 174.900 0.194 0.000 0.977 365 G CA 0.254 45.444 45.100 0.150 0.000 0.652 365 G HN 0.449 nan 8.290 nan 0.000 0.531 366 N N 0.415 119.215 118.700 0.167 0.000 2.399 366 N HA 0.140 4.880 4.740 0.000 0.000 0.250 366 N C 0.917 176.542 175.510 0.192 0.000 1.272 366 N CA -0.207 52.940 53.050 0.162 0.000 0.928 366 N CB 0.176 38.738 38.487 0.126 0.000 1.158 366 N HN 0.154 nan 8.380 nan 0.000 0.463 367 N N 0.472 119.292 118.700 0.200 0.000 2.434 367 N HA 0.051 4.791 4.740 0.000 0.000 0.196 367 N C 1.120 176.822 175.510 0.321 0.000 1.183 367 N CA 0.240 53.465 53.050 0.291 0.000 0.849 367 N CB -0.036 38.611 38.487 0.267 0.000 0.992 367 N HN 0.715 nan 8.380 nan 0.000 0.460 368 G N 0.783 109.714 108.800 0.218 0.000 2.598 368 G HA2 -0.312 3.648 3.960 0.000 0.000 0.244 368 G HA3 -0.312 3.648 3.960 0.000 0.000 0.244 368 G C 0.047 175.037 174.900 0.151 0.000 1.302 368 G CA -0.062 45.142 45.100 0.174 0.000 0.903 368 G HN 0.188 nan 8.290 nan 0.000 0.575 369 S N 0.082 115.886 115.700 0.173 0.000 3.614 369 S HA -0.093 4.377 4.470 0.000 0.000 0.360 369 S C 0.107 174.754 174.600 0.078 0.000 1.023 369 S CA 2.908 61.213 58.200 0.176 0.000 1.114 369 S CB -1.586 61.766 63.200 0.252 0.000 0.907 369 S HN 1.918 nan 8.310 nan 0.000 0.470 370 D N -2.621 117.796 120.400 0.029 0.000 2.752 370 D HA 0.568 5.208 4.640 0.000 0.000 0.313 370 D C 0.993 177.347 176.300 0.090 0.000 1.225 370 D CA -0.630 53.406 54.000 0.059 0.000 0.976 370 D CB 0.177 41.008 40.800 0.052 0.000 1.443 370 D HN -0.077 nan 8.370 nan 0.000 0.515 371 V N -0.017 119.937 119.914 0.067 0.000 2.282 371 V HA -0.259 3.861 4.120 0.000 0.000 0.249 371 V C 2.252 178.371 176.094 0.042 0.000 1.057 371 V CA 2.778 65.114 62.300 0.060 0.000 1.032 371 V CB -1.031 30.805 31.823 0.022 0.000 0.645 371 V HN 0.757 nan 8.190 nan 0.000 0.447 372 T N 0.104 114.668 114.554 0.017 0.000 2.746 372 T HA -0.220 4.130 4.350 0.000 0.000 0.267 372 T C 1.936 176.597 174.700 -0.065 0.000 1.039 372 T CA 1.687 63.782 62.100 -0.008 0.000 1.142 372 T CB -0.522 68.347 68.868 0.002 0.000 0.866 372 T HN 0.586 nan 8.240 nan 0.000 0.444 373 N N 0.865 119.512 118.700 -0.088 0.000 2.069 373 N HA -0.191 4.549 4.740 0.000 0.000 0.191 373 N C 1.680 177.087 175.510 -0.171 0.000 1.031 373 N CA 1.682 54.629 53.050 -0.172 0.000 0.852 373 N CB -0.263 38.168 38.487 -0.094 0.000 1.018 373 N HN 0.561 nan 8.380 nan 0.000 0.423 374 H N -0.110 118.972 119.070 0.020 0.000 2.423 374 H HA 0.027 4.583 4.556 0.000 0.000 0.297 374 H C 2.141 177.479 175.328 0.016 0.000 1.075 374 H CA 1.057 57.112 56.048 0.012 0.000 1.342 374 H CB 0.090 29.750 29.762 -0.171 0.000 1.395 374 H HN 0.260 nan 8.280 nan 0.000 0.530 375 Q N 0.922 120.765 119.800 0.071 0.000 2.079 375 Q HA -0.121 4.219 4.340 0.000 0.000 0.200 375 Q C 2.232 178.242 176.000 0.017 0.000 0.974 375 Q CA 1.243 57.073 55.803 0.045 0.000 0.840 375 Q CB -0.059 28.694 28.738 0.026 0.000 0.898 375 Q HN 0.539 nan 8.270 nan 0.000 0.430 376 I N -0.982 119.531 120.570 -0.094 0.000 2.179 376 I HA -0.272 3.898 4.170 0.000 0.000 0.242 376 I C 1.925 177.891 176.117 -0.251 0.000 1.088 376 I CA 1.229 62.394 61.300 -0.227 0.000 1.357 376 I CB -0.404 37.269 38.000 -0.545 0.000 1.051 376 I HN 0.265 nan 8.210 nan 0.000 0.409 377 W N 0.864 122.177 121.300 0.021 0.000 2.465 377 W HA -0.169 4.491 4.660 -0.000 0.000 0.268 377 W C 2.933 179.543 176.519 0.152 0.000 1.242 377 W CA 0.780 58.197 57.345 0.120 0.000 1.248 377 W CB -0.216 29.408 29.460 0.274 0.000 1.118 377 W HN 0.200 nan 8.180 nan 0.000 0.587 378 S N 0.070 115.935 115.700 0.275 0.000 2.387 378 S HA -0.154 4.316 4.470 0.000 0.000 0.226 378 S C 1.428 176.114 174.600 0.143 0.000 1.026 378 S CA 1.191 59.502 58.200 0.185 0.000 0.972 378 S CB -0.552 62.713 63.200 0.108 0.000 0.814 378 S HN 0.354 nan 8.310 nan 0.000 0.477 379 E N 0.338 120.596 120.200 0.097 0.000 2.106 379 E HA -0.040 4.311 4.350 0.000 0.000 0.192 379 E C 1.704 178.287 176.600 -0.029 0.000 0.984 379 E CA 1.022 57.474 56.400 0.086 0.000 0.806 379 E CB -0.301 29.514 29.700 0.192 0.000 0.750 379 E HN 0.619 nan 8.360 nan 0.000 0.458 380 F N 2.061 121.784 119.950 -0.379 0.000 2.134 380 F HA -0.167 4.360 4.527 0.000 0.000 0.299 380 F C 2.463 178.261 175.800 -0.003 0.000 1.097 380 F CA 1.533 59.272 58.000 -0.434 0.000 1.264 380 F CB 0.010 38.906 39.000 -0.173 0.000 1.001 380 F HN -0.213 nan 8.300 nan 0.000 0.479 381 R N 0.357 120.990 120.500 0.222 0.000 2.081 381 R HA -0.186 4.154 4.340 0.000 0.000 0.235 381 R C 2.042 178.378 176.300 0.060 0.000 1.131 381 R CA 1.806 58.006 56.100 0.168 0.000 0.960 381 R CB -0.420 30.022 30.300 0.237 0.000 0.856 381 R HN 0.298 nan 8.270 nan 0.000 0.436 382 N N 0.593 119.330 118.700 0.063 0.000 2.120 382 N HA -0.164 4.576 4.740 0.000 0.000 0.188 382 N C 1.612 177.142 175.510 0.034 0.000 1.024 382 N CA 1.533 54.618 53.050 0.057 0.000 0.852 382 N CB -0.367 38.163 38.487 0.071 0.000 1.003 382 N HN 0.311 nan 8.380 nan 0.000 0.424 383 A N 0.848 123.669 122.820 0.002 0.000 1.873 383 A HA -0.056 4.264 4.320 0.000 0.000 0.215 383 A C 2.576 180.134 177.584 -0.044 0.000 1.186 383 A CA 1.287 53.326 52.037 0.003 0.000 0.616 383 A CB -0.782 18.252 19.000 0.057 0.000 0.823 383 A HN 0.095 nan 8.150 nan 0.000 0.442 384 V N 0.587 120.405 119.914 -0.160 0.000 2.270 384 V HA -0.209 3.911 4.120 0.000 0.000 0.245 384 V C 2.422 178.542 176.094 0.045 0.000 1.043 384 V CA 2.097 64.352 62.300 -0.075 0.000 1.014 384 V CB -0.580 31.153 31.823 -0.150 0.000 0.645 384 V HN 0.422 nan 8.190 nan 0.000 0.447 385 K N 0.638 121.070 120.400 0.053 0.000 2.283 385 K HA -0.053 4.267 4.320 0.000 0.000 0.202 385 K C 2.131 178.775 176.600 0.074 0.000 1.048 385 K CA 1.274 57.611 56.287 0.083 0.000 0.948 385 K CB -0.891 31.665 32.500 0.094 0.000 0.742 385 K HN 0.555 nan 8.250 nan 0.000 0.458 386 G N 0.814 109.650 108.800 0.060 0.000 2.422 386 G HA2 -0.147 3.813 3.960 0.000 0.000 0.218 386 G HA3 -0.147 3.813 3.960 0.000 0.000 0.218 386 G C 1.648 176.587 174.900 0.064 0.000 1.140 386 G CA 0.460 45.595 45.100 0.058 0.000 0.775 386 G HN 0.120 nan 8.290 nan 0.000 0.545 387 V N 0.451 120.409 119.914 0.073 0.000 2.331 387 V HA 0.080 4.200 4.120 0.000 0.000 0.242 387 V C 0.697 176.847 176.094 0.093 0.000 1.034 387 V CA 1.320 63.672 62.300 0.086 0.000 1.027 387 V CB -0.171 31.717 31.823 0.108 0.000 0.667 387 V HN 0.411 nan 8.190 nan 0.000 0.457 388 N N -0.514 118.251 118.700 0.108 0.000 2.549 388 N HA 0.107 4.847 4.740 0.000 0.000 0.281 388 N C 0.771 176.355 175.510 0.123 0.000 1.084 388 N CA 0.504 53.624 53.050 0.117 0.000 0.862 388 N CB 1.839 40.411 38.487 0.141 0.000 1.333 388 N HN 0.163 nan 8.380 nan 0.000 0.523 389 S N 2.228 117.991 115.700 0.105 0.000 2.469 389 S HA -0.041 4.429 4.470 0.000 0.000 0.238 389 S C 0.726 175.395 174.600 0.115 0.000 0.998 389 S CA 0.662 58.921 58.200 0.099 0.000 0.957 389 S CB -0.066 63.180 63.200 0.077 0.000 0.764 389 S HN 0.533 nan 8.310 nan 0.000 0.514 390 N N 1.800 120.595 118.700 0.159 0.000 2.251 390 N HA 0.382 5.122 4.740 0.000 0.000 0.217 390 N C -0.224 175.510 175.510 0.373 0.000 1.124 390 N CA 0.309 53.505 53.050 0.243 0.000 0.843 390 N CB 0.787 39.452 38.487 0.297 0.000 1.024 390 N HN 0.532 nan 8.380 nan 0.000 0.501 391 A N 0.556 123.538 122.820 0.271 0.000 2.301 391 A HA 0.699 5.020 4.320 0.000 0.000 0.298 391 A C 0.343 178.075 177.584 0.248 0.000 1.185 391 A CA -0.547 51.677 52.037 0.311 0.000 0.830 391 A CB 0.577 19.724 19.000 0.245 0.000 1.112 391 A HN 0.204 nan 8.150 nan 0.000 0.508 392 A N 2.472 125.454 122.820 0.270 0.000 2.340 392 A HA 0.657 4.977 4.320 0.000 0.000 0.268 392 A C -0.223 177.450 177.584 0.149 0.000 1.100 392 A CA -0.236 51.846 52.037 0.075 0.000 0.803 392 A CB 0.050 18.986 19.000 -0.106 0.000 1.043 392 A HN 0.773 nan 8.150 nan 0.000 0.488 393 I N 2.785 123.419 120.570 0.106 0.000 2.448 393 I HA 0.307 4.477 4.170 0.000 0.000 0.281 393 I C -1.028 175.061 176.117 -0.047 0.000 1.027 393 I CA 0.097 61.479 61.300 0.137 0.000 1.111 393 I CB 1.188 39.351 38.000 0.272 0.000 1.236 393 I HN 0.457 nan 8.210 nan 0.000 0.452 394 I N 5.381 125.834 120.570 -0.195 0.000 2.382 394 I HA 0.454 4.624 4.170 0.000 0.000 0.286 394 I C 0.672 176.389 176.117 -0.668 0.000 1.002 394 I CA -0.445 60.655 61.300 -0.332 0.000 1.135 394 I CB 1.788 39.621 38.000 -0.279 0.000 1.288 394 I HN 0.553 nan 8.210 nan 0.000 0.448 395 G N 4.196 112.307 108.800 -1.147 0.000 2.425 395 G HA2 0.312 4.272 3.960 0.000 0.000 0.302 395 G HA3 0.312 4.272 3.960 0.000 0.000 0.302 395 G C -0.668 173.672 174.900 -0.932 0.000 1.159 395 G CA -0.393 43.571 45.100 -1.893 0.000 0.865 395 G HN 0.681 nan 8.290 nan 0.000 0.515 396 E N 0.225 120.068 120.200 -0.594 0.000 2.194 396 E HA 0.403 4.753 4.350 0.000 0.000 0.284 396 E C -1.660 175.031 176.600 0.153 0.000 1.035 396 E CA -0.532 55.819 56.400 -0.082 0.000 0.836 396 E CB 0.715 30.462 29.700 0.079 0.000 1.070 396 E HN 0.393 nan 8.360 nan 0.000 0.401 397 Y N 4.184 124.595 120.300 0.184 0.000 2.436 397 Y HA 0.211 4.761 4.550 0.000 0.000 0.327 397 Y C -1.272 174.896 175.900 0.447 0.000 1.138 397 Y CA -1.085 57.185 58.100 0.284 0.000 1.042 397 Y CB 0.832 39.406 38.460 0.189 0.000 1.302 397 Y HN 0.622 nan 8.280 nan 0.000 0.439 398 W N 2.905 123.952 121.300 -0.422 0.000 3.197 398 W HA 0.452 5.112 4.660 -0.000 0.000 0.274 398 W C 0.972 177.437 176.519 -0.089 0.000 1.297 398 W CA 0.521 57.710 57.345 -0.261 0.000 1.662 398 W CB 0.262 29.404 29.460 -0.531 0.000 1.106 398 W HN 0.701 nan 8.180 nan 0.000 0.663 399 G N -0.057 108.688 108.800 -0.091 0.000 3.175 399 G HA2 0.114 4.074 3.960 0.000 0.000 0.153 399 G HA3 0.114 4.074 3.960 0.000 0.000 0.153 399 G C -0.690 174.544 174.900 0.556 0.000 1.216 399 G CA -0.622 44.611 45.100 0.221 0.000 0.943 399 G HN -0.142 nan 8.290 nan 0.000 0.611 400 N N 0.956 119.986 118.700 0.550 0.000 2.402 400 N HA 0.361 5.101 4.740 0.000 0.000 0.252 400 N C 0.693 176.505 175.510 0.503 0.000 1.118 400 N CA 0.123 53.410 53.050 0.396 0.000 0.945 400 N CB 1.168 39.742 38.487 0.146 0.000 1.147 400 N HN 0.460 nan 8.380 nan 0.000 0.495 401 A N 3.905 127.076 122.820 0.587 0.000 2.327 401 A HA -0.025 4.295 4.320 0.000 0.000 0.228 401 A C 1.841 179.636 177.584 0.351 0.000 1.275 401 A CA -0.303 52.031 52.037 0.495 0.000 0.875 401 A CB -0.716 18.660 19.000 0.626 0.000 0.925 401 A HN 0.832 nan 8.150 nan 0.000 0.493 402 N N 1.367 120.107 118.700 0.067 0.000 2.094 402 N HA -0.153 4.587 4.740 0.000 0.000 0.191 402 N C -1.137 174.257 175.510 -0.193 0.000 1.023 402 N CA 1.961 54.945 53.050 -0.110 0.000 0.857 402 N CB -0.695 37.658 38.487 -0.223 0.000 1.013 402 N HN 0.270 nan 8.380 nan 0.000 0.426 403 P HA -0.075 nan 4.420 nan 0.000 0.221 403 P C 0.593 177.378 177.300 -0.858 0.000 1.145 403 P CA 1.066 63.717 63.100 -0.749 0.000 0.795 403 P CB -0.220 30.808 31.700 -1.120 0.000 0.775 404 W N -1.045 119.941 121.300 -0.524 0.000 3.132 404 W HA 0.224 4.884 4.660 0.000 0.000 0.364 404 W C 0.833 176.974 176.519 -0.629 0.000 1.129 404 W CA 0.590 57.430 57.345 -0.842 0.000 1.815 404 W CB -0.205 27.981 29.460 -2.123 0.000 1.099 404 W HN 0.131 nan 8.180 nan 0.000 0.605 405 T N -4.450 110.011 114.554 -0.154 0.000 3.105 405 T HA 0.208 4.558 4.350 0.000 0.000 0.257 405 T C 1.730 176.335 174.700 -0.158 0.000 0.949 405 T CA 0.672 62.746 62.100 -0.042 0.000 0.959 405 T CB -0.246 68.736 68.868 0.191 0.000 1.205 405 T HN -0.160 nan 8.240 nan 0.000 0.496 406 A N 1.370 124.079 122.820 -0.184 0.000 2.248 406 A HA 0.113 4.433 4.320 0.000 0.000 0.210 406 A C 1.938 179.412 177.584 -0.183 0.000 1.174 406 A CA 0.728 52.609 52.037 -0.260 0.000 0.750 406 A CB -0.669 18.169 19.000 -0.271 0.000 0.780 406 A HN 0.644 nan 8.150 nan 0.000 0.478 407 Q N -1.802 117.843 119.800 -0.259 0.000 2.217 407 Q HA 0.256 4.596 4.340 0.000 0.000 0.217 407 Q C 1.040 176.807 176.000 -0.387 0.000 0.844 407 Q CA 0.203 55.876 55.803 -0.216 0.000 0.957 407 Q CB 0.491 29.119 28.738 -0.183 0.000 1.127 407 Q HN 0.762 nan 8.270 nan 0.000 0.503 408 G N 2.760 111.082 108.800 -0.797 0.000 2.233 408 G HA2 -0.351 3.609 3.960 0.000 0.000 0.270 408 G HA3 -0.351 3.609 3.960 0.000 0.000 0.270 408 G C 0.284 174.751 174.900 -0.721 0.000 1.011 408 G CA 1.092 45.222 45.100 -1.616 0.000 0.762 408 G HN 0.695 nan 8.290 nan 0.000 0.511 409 N N -1.907 116.570 118.700 -0.372 0.000 2.177 409 N HA 0.241 4.981 4.740 0.000 0.000 0.218 409 N C 1.171 176.682 175.510 0.000 0.000 1.182 409 N CA 0.062 53.036 53.050 -0.126 0.000 0.882 409 N CB 0.314 38.753 38.487 -0.080 0.000 1.052 409 N HN 0.533 nan 8.380 nan 0.000 0.519 410 Q N -0.379 119.416 119.800 -0.007 0.000 1.989 410 Q HA 0.258 4.598 4.340 0.000 0.000 0.166 410 Q C -0.656 175.555 176.000 0.351 0.000 0.536 410 Q CA -0.507 55.400 55.803 0.173 0.000 0.651 410 Q CB 0.363 29.122 28.738 0.035 0.000 1.468 410 Q HN 0.149 nan 8.270 nan 0.000 0.350 411 W N 1.622 122.988 121.300 0.109 0.000 2.253 411 W HA 0.264 4.924 4.660 0.000 0.000 0.348 411 W C 0.549 177.160 176.519 0.152 0.000 1.229 411 W CA -0.754 56.636 57.345 0.075 0.000 1.335 411 W CB -0.021 29.418 29.460 -0.034 0.000 1.165 411 W HN 0.440 nan 8.180 nan 0.000 0.631 412 D N 0.207 120.824 120.400 0.360 0.000 2.240 412 D HA 0.268 4.908 4.640 0.000 0.000 0.206 412 D C 0.561 176.945 176.300 0.139 0.000 0.963 412 D CA 0.998 55.142 54.000 0.239 0.000 0.863 412 D CB 0.716 41.538 40.800 0.037 0.000 0.973 412 D HN 0.265 nan 8.370 nan 0.000 0.501 413 A N -0.462 122.431 122.820 0.122 0.000 2.467 413 A HA 0.735 5.055 4.320 0.000 0.000 0.301 413 A C -1.652 175.972 177.584 0.067 0.000 1.126 413 A CA -0.031 52.010 52.037 0.006 0.000 0.632 413 A CB 0.901 19.816 19.000 -0.142 0.000 1.331 413 A HN 0.101 nan 8.150 nan 0.000 0.482 414 A N -0.688 122.117 122.820 -0.024 0.000 2.569 414 A HA 0.835 5.155 4.320 0.000 0.000 0.290 414 A C -0.047 177.500 177.584 -0.063 0.000 1.136 414 A CA 0.164 52.213 52.037 0.020 0.000 0.710 414 A CB 0.545 19.728 19.000 0.306 0.000 1.303 414 A HN 2.145 nan 8.150 nan 0.000 0.413 415 T N 0.004 114.542 114.554 -0.027 0.000 2.784 415 T HA 0.147 4.497 4.350 0.000 0.000 0.291 415 T C 0.185 174.805 174.700 -0.133 0.000 0.942 415 T CA -0.178 61.890 62.100 -0.054 0.000 1.161 415 T CB -0.126 68.755 68.868 0.021 0.000 0.885 415 T HN 0.478 nan 8.240 nan 0.000 0.534 416 N N 2.374 120.865 118.700 -0.348 0.000 3.115 416 N HA 0.152 4.892 4.740 0.000 0.000 0.305 416 N C 0.392 175.760 175.510 -0.236 0.000 1.305 416 N CA -0.821 52.096 53.050 -0.221 0.000 1.154 416 N CB -1.021 37.350 38.487 -0.193 0.000 1.454 416 N HN 0.679 nan 8.380 nan 0.000 0.551 417 F N -0.194 119.645 119.950 -0.185 0.000 2.095 417 F HA -0.184 4.343 4.527 -0.000 0.000 0.298 417 F C 2.184 178.095 175.800 0.183 0.000 1.104 417 F CA 1.222 59.152 58.000 -0.117 0.000 1.232 417 F CB -0.124 38.745 39.000 -0.219 0.000 0.987 417 F HN 0.245 nan 8.300 nan 0.000 0.475 418 D N -0.615 120.071 120.400 0.476 0.000 2.149 418 D HA -0.055 4.585 4.640 0.000 0.000 0.201 418 D C 2.269 178.880 176.300 0.519 0.000 0.972 418 D CA 1.352 55.665 54.000 0.522 0.000 0.835 418 D CB -0.402 40.679 40.800 0.469 0.000 0.966 418 D HN 0.183 nan 8.370 nan 0.000 0.476 419 G N -2.378 106.661 108.800 0.399 0.000 3.088 419 G HA2 0.093 4.053 3.960 0.000 0.000 0.217 419 G HA3 0.093 4.053 3.960 0.000 0.000 0.217 419 G C 0.657 175.737 174.900 0.300 0.000 1.159 419 G CA -0.008 45.313 45.100 0.369 0.000 0.760 419 G HN 0.315 nan 8.290 nan 0.000 0.550 420 F N -0.369 119.597 119.950 0.026 0.000 1.832 420 F HA 0.133 4.660 4.527 0.000 0.000 0.236 420 F C 2.397 178.163 175.800 -0.057 0.000 1.180 420 F CA 1.084 59.067 58.000 -0.029 0.000 1.297 420 F CB -0.162 38.780 39.000 -0.096 0.000 1.748 420 F HN -0.016 nan 8.300 nan 0.000 0.453 421 T N 0.793 115.329 114.554 -0.030 0.000 2.635 421 T HA -0.275 4.075 4.350 0.000 0.000 0.267 421 T C 1.619 176.358 174.700 0.066 0.000 1.040 421 T CA 2.265 64.344 62.100 -0.035 0.000 1.156 421 T CB -0.428 68.412 68.868 -0.047 0.000 0.863 421 T HN 0.233 nan 8.240 nan 0.000 0.430 422 Q N 1.411 121.314 119.800 0.171 0.000 2.016 422 Q HA -0.030 4.310 4.340 0.000 0.000 0.200 422 Q C -0.542 175.205 176.000 -0.423 0.000 0.978 422 Q CA 1.703 57.515 55.803 0.015 0.000 0.833 422 Q CB -1.043 27.797 28.738 0.170 0.000 0.895 422 Q HN 0.375 nan 8.270 nan 0.000 0.427 423 P HA -0.137 nan 4.420 nan 0.000 0.217 423 P C 1.181 178.248 177.300 -0.387 0.000 1.150 423 P CA 1.218 63.698 63.100 -1.032 0.000 0.832 423 P CB 0.000 30.938 31.700 -1.271 0.000 0.787 424 V N 0.404 120.136 119.914 -0.303 0.000 2.358 424 V HA -0.185 3.935 4.120 0.000 0.000 0.246 424 V C 3.036 179.049 176.094 -0.135 0.000 1.047 424 V CA 2.331 64.454 62.300 -0.294 0.000 1.035 424 V CB -1.510 30.053 31.823 -0.433 0.000 0.658 424 V HN 0.241 nan 8.190 nan 0.000 0.452 425 S N -0.335 115.330 115.700 -0.059 0.000 2.348 425 S HA -0.232 4.238 4.470 0.000 0.000 0.221 425 S C 1.965 176.501 174.600 -0.107 0.000 1.033 425 S CA 1.926 60.134 58.200 0.014 0.000 1.010 425 S CB -0.249 62.980 63.200 0.048 0.000 0.891 425 S HN 0.730 nan 8.310 nan 0.000 0.442 426 E N -0.988 119.120 120.200 -0.153 0.000 2.150 426 E HA -0.154 4.196 4.350 0.000 0.000 0.193 426 E C 1.706 178.252 176.600 -0.090 0.000 0.985 426 E CA 1.032 57.361 56.400 -0.119 0.000 0.814 426 E CB -0.189 29.451 29.700 -0.102 0.000 0.752 426 E HN 0.741 nan 8.360 nan 0.000 0.466 427 W N 1.350 122.408 121.300 -0.404 0.000 2.441 427 W HA 0.000 4.660 4.660 0.000 0.000 0.302 427 W C 1.759 178.068 176.519 -0.350 0.000 1.191 427 W CA 0.955 58.006 57.345 -0.489 0.000 1.327 427 W CB -0.184 28.613 29.460 -1.105 0.000 1.128 427 W HN -0.118 nan 8.180 nan 0.000 0.522 428 I N -0.075 120.262 120.570 -0.388 0.000 2.400 428 I HA -0.171 3.999 4.170 0.000 0.000 0.248 428 I C 2.399 178.336 176.117 -0.300 0.000 1.109 428 I CA 1.844 62.895 61.300 -0.414 0.000 1.425 428 I CB -0.860 37.054 38.000 -0.144 0.000 1.094 428 I HN 0.057 nan 8.210 nan 0.000 0.425 429 T N -2.515 111.881 114.554 -0.264 0.000 3.037 429 T HA 0.249 4.599 4.350 0.000 0.000 0.251 429 T C 1.591 176.171 174.700 -0.201 0.000 1.079 429 T CA 0.544 62.470 62.100 -0.290 0.000 1.067 429 T CB 0.572 69.188 68.868 -0.421 0.000 0.948 429 T HN 0.479 nan 8.240 nan 0.000 0.496 430 G N 1.642 110.344 108.800 -0.163 0.000 2.153 430 G HA2 -0.194 3.766 3.960 0.000 0.000 0.252 430 G HA3 -0.194 3.766 3.960 0.000 0.000 0.252 430 G C -0.120 174.726 174.900 -0.090 0.000 0.994 430 G CA 0.304 45.339 45.100 -0.108 0.000 0.698 430 G HN 0.668 nan 8.290 nan 0.000 0.521 431 K N 0.526 120.861 120.400 -0.108 0.000 2.435 431 K HA 0.491 4.812 4.320 0.000 0.000 0.251 431 K C -0.194 176.356 176.600 -0.083 0.000 0.954 431 K CA -0.442 55.793 56.287 -0.086 0.000 0.820 431 K CB 2.014 34.456 32.500 -0.098 0.000 1.292 431 K HN 0.285 nan 8.250 nan 0.000 0.436 432 D N -0.406 119.949 120.400 -0.076 0.000 2.433 432 D HA -0.010 4.630 4.640 0.000 0.000 0.255 432 D C 1.061 177.325 176.300 -0.061 0.000 1.226 432 D CA -0.137 53.777 54.000 -0.143 0.000 1.015 432 D CB 0.043 40.723 40.800 -0.200 0.000 1.091 432 D HN 0.545 nan 8.370 nan 0.000 0.527 433 Y N -2.318 118.045 120.300 0.106 0.000 2.639 433 Y HA 0.066 4.616 4.550 0.000 0.000 0.297 433 Y C 1.298 177.270 175.900 0.121 0.000 1.151 433 Y CA 0.336 58.513 58.100 0.129 0.000 1.335 433 Y CB -0.862 37.724 38.460 0.210 0.000 0.994 433 Y HN 0.160 nan 8.280 nan 0.000 0.548 434 Q N 1.082 121.068 119.800 0.309 0.000 2.319 434 Q HA 0.021 4.361 4.340 0.000 0.000 0.202 434 Q C 0.104 176.170 176.000 0.111 0.000 0.896 434 Q CA 0.449 56.392 55.803 0.233 0.000 0.942 434 Q CB -0.326 28.529 28.738 0.196 0.000 1.083 434 Q HN 0.845 nan 8.270 nan 0.000 0.510 435 N N 0.794 119.536 118.700 0.070 0.000 2.818 435 N HA -0.121 4.619 4.740 0.000 0.000 0.250 435 N C -0.889 174.620 175.510 -0.002 0.000 1.108 435 N CA -0.079 52.979 53.050 0.013 0.000 0.745 435 N CB -0.234 38.261 38.487 0.014 0.000 1.104 435 N HN 0.184 nan 8.380 nan 0.000 0.557 436 N N 0.345 119.044 118.700 -0.001 0.000 2.508 436 N HA 0.163 4.903 4.740 0.000 0.000 0.285 436 N C -0.492 175.004 175.510 -0.023 0.000 1.144 436 N CA -0.106 52.939 53.050 -0.009 0.000 0.978 436 N CB 1.394 39.879 38.487 -0.004 0.000 1.180 436 N HN 0.068 nan 8.380 nan 0.000 0.484 437 S N 0.679 116.366 115.700 -0.021 0.000 2.515 437 S HA 0.373 4.843 4.470 0.000 0.000 0.285 437 S C 0.036 174.625 174.600 -0.017 0.000 1.265 437 S CA -0.402 57.783 58.200 -0.024 0.000 1.079 437 S CB 0.040 63.228 63.200 -0.019 0.000 0.877 437 S HN 0.659 nan 8.310 nan 0.000 0.493 438 A N 2.972 125.780 122.820 -0.020 0.000 2.522 438 A HA 0.556 4.876 4.320 0.000 0.000 0.290 438 A C -0.373 177.212 177.584 0.001 0.000 1.047 438 A CA -0.602 51.435 52.037 0.001 0.000 0.935 438 A CB 0.949 19.951 19.000 0.004 0.000 1.451 438 A HN 0.588 nan 8.150 nan 0.000 0.398 439 S N 2.182 117.892 115.700 0.017 0.000 2.568 439 S HA 0.924 5.394 4.470 0.000 0.000 0.302 439 S C -0.291 174.353 174.600 0.072 0.000 1.082 439 S CA -0.466 57.745 58.200 0.019 0.000 1.009 439 S CB 0.787 63.986 63.200 -0.002 0.000 1.069 439 S HN 1.457 nan 8.310 nan 0.000 0.500 440 I N 0.726 121.356 120.570 0.100 0.000 2.865 440 I HA 0.689 4.859 4.170 0.000 0.000 0.302 440 I C -0.020 176.222 176.117 0.209 0.000 1.140 440 I CA -0.970 60.426 61.300 0.161 0.000 1.021 440 I CB 2.076 40.206 38.000 0.218 0.000 1.233 440 I HN 0.638 nan 8.210 nan 0.000 0.427 441 S N 2.159 117.968 115.700 0.182 0.000 2.634 441 S HA 0.275 4.745 4.470 0.000 0.000 0.261 441 S C 0.901 175.628 174.600 0.212 0.000 1.271 441 S CA 0.091 58.411 58.200 0.200 0.000 0.985 441 S CB 1.153 64.429 63.200 0.126 0.000 0.968 441 S HN 0.753 nan 8.310 nan 0.000 0.568 442 T N 1.571 116.266 114.554 0.235 0.000 2.708 442 T HA -0.113 4.237 4.350 0.000 0.000 0.266 442 T C 2.204 176.816 174.700 -0.146 0.000 1.037 442 T CA 2.057 64.177 62.100 0.033 0.000 1.146 442 T CB -1.193 67.799 68.868 0.207 0.000 0.865 442 T HN 0.955 nan 8.240 nan 0.000 0.435 443 T N 1.000 115.550 114.554 -0.007 0.000 2.788 443 T HA -0.140 4.210 4.350 0.000 0.000 0.268 443 T C 1.972 176.663 174.700 -0.016 0.000 1.044 443 T CA 1.075 63.171 62.100 -0.006 0.000 1.139 443 T CB -0.449 68.448 68.868 0.048 0.000 0.867 443 T HN 0.376 nan 8.240 nan 0.000 0.454 444 Q N -0.262 119.557 119.800 0.031 0.000 2.119 444 Q HA 0.079 4.419 4.340 0.000 0.000 0.201 444 Q C 1.942 178.005 176.000 0.105 0.000 0.972 444 Q CA 1.325 57.181 55.803 0.089 0.000 0.847 444 Q CB -0.318 28.507 28.738 0.145 0.000 0.903 444 Q HN 0.696 nan 8.270 nan 0.000 0.433 445 F N 1.493 121.288 119.950 -0.258 0.000 2.075 445 F HA -0.285 4.242 4.527 0.000 0.000 0.297 445 F C 1.937 177.462 175.800 -0.459 0.000 1.113 445 F CA 1.730 59.427 58.000 -0.505 0.000 1.218 445 F CB 0.004 38.300 39.000 -1.174 0.000 0.984 445 F HN 0.093 nan 8.300 nan 0.000 0.472 446 D N -0.344 119.690 120.400 -0.609 0.000 2.123 446 D HA -0.191 4.449 4.640 0.000 0.000 0.196 446 D C 2.100 178.302 176.300 -0.162 0.000 0.992 446 D CA 1.829 55.552 54.000 -0.462 0.000 0.833 446 D CB -0.140 40.529 40.800 -0.219 0.000 0.954 446 D HN 0.263 nan 8.370 nan 0.000 0.455 447 S N -0.593 115.069 115.700 -0.063 0.000 2.368 447 S HA -0.118 4.352 4.470 0.000 0.000 0.224 447 S C 1.546 176.179 174.600 0.055 0.000 1.029 447 S CA 0.688 58.894 58.200 0.009 0.000 0.988 447 S CB -0.490 62.723 63.200 0.023 0.000 0.838 447 S HN 0.480 nan 8.310 nan 0.000 0.462 448 W N 2.548 123.764 121.300 -0.141 0.000 2.355 448 W HA -0.040 4.620 4.660 0.000 0.000 0.309 448 W C 1.654 178.093 176.519 -0.132 0.000 1.206 448 W CA 0.969 58.250 57.345 -0.107 0.000 1.284 448 W CB -0.898 28.515 29.460 -0.078 0.000 1.145 448 W HN 0.263 nan 8.180 nan 0.000 0.502 449 L N 0.123 121.363 121.223 0.028 0.000 2.046 449 L HA -0.218 4.122 4.340 0.000 0.000 0.208 449 L C 2.773 179.650 176.870 0.010 0.000 1.077 449 L CA 1.895 56.694 54.840 -0.068 0.000 0.747 449 L CB -0.989 40.838 42.059 -0.386 0.000 0.896 449 L HN -0.097 nan 8.230 nan 0.000 0.432 450 R N 0.338 120.826 120.500 -0.020 0.000 2.075 450 R HA -0.118 4.222 4.340 0.000 0.000 0.232 450 R C 2.268 178.562 176.300 -0.011 0.000 1.126 450 R CA 1.449 57.540 56.100 -0.016 0.000 0.963 450 R CB -0.484 29.822 30.300 0.009 0.000 0.858 450 R HN 0.338 nan 8.270 nan 0.000 0.435 451 G N -0.465 108.334 108.800 -0.001 0.000 2.422 451 G HA2 -0.279 3.681 3.960 0.000 0.000 0.218 451 G HA3 -0.279 3.681 3.960 0.000 0.000 0.218 451 G C 1.455 176.352 174.900 -0.006 0.000 1.146 451 G CA 1.254 46.334 45.100 -0.033 0.000 0.769 451 G HN 0.557 nan 8.290 nan 0.000 0.547 452 T N -1.051 113.556 114.554 0.089 0.000 2.896 452 T HA 0.046 4.396 4.350 0.000 0.000 0.263 452 T C 2.297 177.096 174.700 0.164 0.000 1.050 452 T CA 0.672 62.861 62.100 0.148 0.000 1.140 452 T CB -0.177 68.881 68.868 0.317 0.000 0.877 452 T HN 0.254 nan 8.240 nan 0.000 0.457 453 R N 1.392 121.974 120.500 0.136 0.000 2.081 453 R HA 0.146 4.486 4.340 0.000 0.000 0.235 453 R C 2.861 179.223 176.300 0.103 0.000 1.131 453 R CA 1.246 57.426 56.100 0.133 0.000 0.960 453 R CB -0.680 29.621 30.300 0.001 0.000 0.856 453 R HN 0.516 nan 8.270 nan 0.000 0.436 454 A N 1.425 124.251 122.820 0.010 0.000 2.178 454 A HA -0.124 4.196 4.320 0.000 0.000 0.218 454 A C 1.430 178.992 177.584 -0.036 0.000 1.157 454 A CA 1.103 53.115 52.037 -0.042 0.000 0.689 454 A CB -0.315 18.606 19.000 -0.132 0.000 0.787 454 A HN 0.254 nan 8.150 nan 0.000 0.465 455 N N -1.157 117.460 118.700 -0.138 0.000 2.457 455 N HA 0.024 4.764 4.740 0.000 0.000 0.180 455 N C -0.434 174.797 175.510 -0.464 0.000 1.050 455 N CA 0.756 53.588 53.050 -0.364 0.000 0.906 455 N CB -0.114 37.963 38.487 -0.683 0.000 0.968 455 N HN 0.644 nan 8.380 nan 0.000 0.445 456 Y N -0.429 119.879 120.300 0.013 0.000 2.562 456 Y HA 0.467 5.018 4.550 0.000 0.000 0.343 456 Y C -2.144 173.681 175.900 -0.125 0.000 1.025 456 Y CA -2.595 55.442 58.100 -0.105 0.000 1.082 456 Y CB 1.253 39.691 38.460 -0.036 0.000 1.264 456 Y HN -0.201 nan 8.280 nan 0.000 0.478 457 P HA 0.083 nan 4.420 nan 0.000 0.272 457 P C 0.442 177.813 177.300 0.118 0.000 1.230 457 P CA 0.145 63.249 63.100 0.006 0.000 0.788 457 P CB 0.771 32.478 31.700 0.012 0.000 0.949 458 T N 0.329 114.972 114.554 0.149 0.000 2.684 458 T HA -0.187 4.163 4.350 0.000 0.000 0.267 458 T C 1.453 176.140 174.700 -0.023 0.000 1.036 458 T CA 2.127 64.273 62.100 0.077 0.000 1.148 458 T CB -1.129 67.793 68.868 0.091 0.000 0.863 458 T HN 0.652 nan 8.240 nan 0.000 0.436 459 N N 1.054 119.715 118.700 -0.065 0.000 2.223 459 N HA -0.090 4.650 4.740 0.000 0.000 0.185 459 N C 1.732 177.127 175.510 -0.192 0.000 1.016 459 N CA 0.783 53.728 53.050 -0.174 0.000 0.863 459 N CB -0.438 37.871 38.487 -0.297 0.000 0.983 459 N HN 0.189 nan 8.380 nan 0.000 0.429 460 V N 1.259 121.105 119.914 -0.115 0.000 2.379 460 V HA -0.201 3.919 4.120 0.000 0.000 0.245 460 V C 2.597 178.574 176.094 -0.196 0.000 1.044 460 V CA 1.588 63.822 62.300 -0.109 0.000 1.036 460 V CB -0.750 31.087 31.823 0.024 0.000 0.664 460 V HN 0.340 nan 8.190 nan 0.000 0.453 461 Q N -0.179 119.541 119.800 -0.133 0.000 2.077 461 Q HA -0.310 4.030 4.340 0.000 0.000 0.206 461 Q C 2.266 178.135 176.000 -0.218 0.000 0.989 461 Q CA 2.077 57.783 55.803 -0.162 0.000 0.853 461 Q CB -0.249 28.442 28.738 -0.077 0.000 0.907 461 Q HN 0.696 nan 8.270 nan 0.000 0.418 462 Q N -0.498 119.185 119.800 -0.194 0.000 2.437 462 Q HA -0.027 4.313 4.340 0.000 0.000 0.210 462 Q C 1.135 176.996 176.000 -0.232 0.000 0.972 462 Q CA 0.846 56.524 55.803 -0.208 0.000 0.903 462 Q CB 0.360 28.993 28.738 -0.174 0.000 0.967 462 Q HN 0.137 nan 8.270 nan 0.000 0.486 463 S N -0.495 115.057 115.700 -0.246 0.000 2.559 463 S HA 0.193 4.663 4.470 0.000 0.000 0.226 463 S C 0.302 174.747 174.600 -0.258 0.000 1.000 463 S CA -0.215 57.826 58.200 -0.265 0.000 0.948 463 S CB 0.384 63.419 63.200 -0.276 0.000 0.870 463 S HN 0.222 nan 8.310 nan 0.000 0.497 464 M N 1.877 121.312 119.600 -0.274 0.000 2.245 464 M HA 0.204 4.684 4.480 0.000 0.000 0.344 464 M C 0.084 176.220 176.300 -0.273 0.000 1.170 464 M CA 0.401 55.532 55.300 -0.283 0.000 1.135 464 M CB -0.201 32.215 32.600 -0.307 0.000 1.574 464 M HN 0.241 nan 8.290 nan 0.000 0.452 465 M N 4.455 123.909 119.600 -0.244 0.000 2.264 465 M HA 0.120 4.600 4.480 0.000 0.000 0.340 465 M C -0.778 175.311 176.300 -0.351 0.000 1.420 465 M CA -0.122 55.057 55.300 -0.201 0.000 1.254 465 M CB -0.189 32.356 32.600 -0.090 0.000 1.575 465 M HN 0.405 nan 8.290 nan 0.000 0.452 466 N N 7.218 125.625 118.700 -0.489 0.000 2.558 466 N HA 0.319 5.059 4.740 0.000 0.000 0.233 466 N C -1.376 173.737 175.510 -0.663 0.000 1.038 466 N CA -0.029 52.439 53.050 -0.970 0.000 0.934 466 N CB 0.180 37.682 38.487 -1.640 0.000 1.175 466 N HN 0.477 nan 8.380 nan 0.000 0.512 467 F N -1.087 118.751 119.950 -0.186 0.000 2.507 467 F HA 0.535 5.062 4.527 0.000 0.000 0.327 467 F C 1.001 176.941 175.800 0.232 0.000 1.068 467 F CA -1.139 56.860 58.000 -0.002 0.000 0.965 467 F CB 1.202 40.135 39.000 -0.112 0.000 1.192 467 F HN 0.016 nan 8.300 nan 0.000 0.476 468 L N 0.702 122.164 121.223 0.398 0.000 2.179 468 L HA 0.141 4.481 4.340 0.000 0.000 0.208 468 L C 0.244 177.316 176.870 0.337 0.000 1.096 468 L CA 0.758 55.748 54.840 0.250 0.000 0.779 468 L CB -0.310 41.737 42.059 -0.020 0.000 0.922 468 L HN 0.755 nan 8.230 nan 0.000 0.443 469 S N -0.944 114.964 115.700 0.346 0.000 2.656 469 S HA 0.574 5.044 4.470 0.000 0.000 0.273 469 S C -1.166 173.301 174.600 -0.222 0.000 1.168 469 S CA -0.907 57.407 58.200 0.190 0.000 0.817 469 S CB 2.216 65.549 63.200 0.222 0.000 1.146 469 S HN 0.313 nan 8.310 nan 0.000 0.475 470 N N -0.472 117.826 118.700 -0.669 0.000 3.179 470 N HA 0.147 4.887 4.740 0.000 0.000 0.250 470 N C 0.138 174.964 175.510 -1.139 0.000 1.507 470 N CA -0.593 51.591 53.050 -1.443 0.000 0.883 470 N CB -0.246 37.434 38.487 -1.345 0.000 1.435 470 N HN 0.750 nan 8.380 nan 0.000 0.532 471 H N -1.282 117.242 119.070 -0.911 0.000 2.560 471 H HA 0.097 4.653 4.556 0.000 0.000 0.283 471 H C -0.680 174.588 175.328 -0.099 0.000 1.028 471 H CA 1.003 56.907 56.048 -0.240 0.000 1.221 471 H CB -0.169 29.649 29.762 0.094 0.000 1.363 471 H HN 0.493 nan 8.280 nan 0.000 0.594 472 D N 0.758 120.870 120.400 -0.479 0.000 2.431 472 D HA 0.230 4.870 4.640 0.000 0.000 0.213 472 D C 1.032 177.354 176.300 0.036 0.000 1.130 472 D CA 0.002 53.905 54.000 -0.162 0.000 0.834 472 D CB 0.941 41.714 40.800 -0.045 0.000 0.985 472 D HN 0.573 nan 8.370 nan 0.000 0.504 473 I N -2.664 117.890 120.570 -0.027 0.000 3.264 473 I HA 0.470 4.640 4.170 0.000 0.000 0.315 473 I C 0.174 176.333 176.117 0.070 0.000 1.154 473 I CA -1.070 60.279 61.300 0.081 0.000 0.962 473 I CB 1.755 39.803 38.000 0.081 0.000 1.265 473 I HN -0.263 nan 8.210 nan 0.000 0.463 474 T N 0.141 114.767 114.554 0.121 0.000 2.860 474 T HA 0.346 4.696 4.350 0.000 0.000 0.299 474 T C 0.379 175.136 174.700 0.095 0.000 1.045 474 T CA -0.649 61.504 62.100 0.088 0.000 1.071 474 T CB 0.625 69.540 68.868 0.079 0.000 0.985 474 T HN 0.528 nan 8.240 nan 0.000 0.537 475 R N 1.086 121.627 120.500 0.070 0.000 2.590 475 R HA 0.150 4.490 4.340 0.000 0.000 0.274 475 R C 0.939 177.298 176.300 0.099 0.000 1.061 475 R CA -0.333 55.821 56.100 0.090 0.000 1.081 475 R CB -0.055 30.259 30.300 0.024 0.000 0.984 475 R HN 0.842 nan 8.270 nan 0.000 0.448 476 F N 2.528 122.495 119.950 0.027 0.000 2.126 476 F HA -0.242 4.285 4.527 -0.000 0.000 0.299 476 F C 2.026 177.813 175.800 -0.021 0.000 1.096 476 F CA 2.141 60.150 58.000 0.015 0.000 1.255 476 F CB -0.036 38.982 39.000 0.030 0.000 0.997 476 F HN 0.691 nan 8.300 nan 0.000 0.479 477 A N -1.051 121.827 122.820 0.096 0.000 1.972 477 A HA -0.163 4.157 4.320 0.000 0.000 0.219 477 A C 2.179 179.708 177.584 -0.091 0.000 1.169 477 A CA 2.178 54.214 52.037 -0.002 0.000 0.635 477 A CB -1.284 17.724 19.000 0.013 0.000 0.810 477 A HN 0.427 nan 8.150 nan 0.000 0.446 478 T N -0.780 113.726 114.554 -0.079 0.000 2.812 478 T HA -0.060 4.290 4.350 0.000 0.000 0.264 478 T C 2.059 176.682 174.700 -0.128 0.000 1.042 478 T CA 1.259 63.312 62.100 -0.078 0.000 1.140 478 T CB -0.174 68.671 68.868 -0.039 0.000 0.870 478 T HN 0.502 nan 8.240 nan 0.000 0.445 479 R N 0.981 121.368 120.500 -0.189 0.000 2.120 479 R HA 0.022 4.362 4.340 0.000 0.000 0.234 479 R C 2.448 178.553 176.300 -0.324 0.000 1.123 479 R CA 1.157 57.109 56.100 -0.246 0.000 0.975 479 R CB -0.158 29.962 30.300 -0.302 0.000 0.866 479 R HN 0.189 nan 8.270 nan 0.000 0.446 480 S N -0.608 114.846 115.700 -0.410 0.000 2.561 480 S HA 0.057 4.527 4.470 0.000 0.000 0.225 480 S C 1.152 175.630 174.600 -0.203 0.000 0.977 480 S CA 0.726 58.709 58.200 -0.362 0.000 0.926 480 S CB 0.609 63.593 63.200 -0.361 0.000 0.769 480 S HN 0.667 nan 8.310 nan 0.000 0.533 481 G N 0.769 109.475 108.800 -0.155 0.000 2.160 481 G HA2 -0.122 3.838 3.960 0.000 0.000 0.251 481 G HA3 -0.122 3.838 3.960 0.000 0.000 0.251 481 G C 0.894 175.750 174.900 -0.074 0.000 1.008 481 G CA 0.296 45.338 45.100 -0.098 0.000 0.724 481 G HN 1.348 nan 8.290 nan 0.000 0.514 482 G N -0.914 107.839 108.800 -0.078 0.000 2.176 482 G HA2 -0.194 3.766 3.960 0.000 0.000 0.253 482 G HA3 -0.194 3.766 3.960 0.000 0.000 0.253 482 G C 0.158 175.031 174.900 -0.046 0.000 0.979 482 G CA 0.893 45.963 45.100 -0.050 0.000 0.641 482 G HN 1.448 nan 8.290 nan 0.000 0.530 483 D N 0.725 121.087 120.400 -0.063 0.000 2.359 483 D HA 0.351 4.991 4.640 0.000 0.000 0.250 483 D C 1.614 177.863 176.300 -0.085 0.000 1.264 483 D CA -0.573 53.403 54.000 -0.039 0.000 0.911 483 D CB 0.576 41.343 40.800 -0.056 0.000 1.056 483 D HN 0.054 nan 8.370 nan 0.000 0.499 484 L N 4.634 125.776 121.223 -0.134 0.000 2.187 484 L HA -0.045 4.295 4.340 0.000 0.000 0.213 484 L C 1.363 177.776 176.870 -0.762 0.000 1.100 484 L CA 1.525 56.143 54.840 -0.370 0.000 0.765 484 L CB -0.438 41.368 42.059 -0.422 0.000 0.904 484 L HN 0.526 nan 8.230 nan 0.000 0.437 485 W N -0.064 120.876 121.300 -0.600 0.000 2.392 485 W HA -0.143 4.517 4.660 0.000 0.000 0.279 485 W C 2.436 178.824 176.519 -0.218 0.000 1.225 485 W CA 1.075 58.114 57.345 -0.509 0.000 1.233 485 W CB -0.284 29.108 29.460 -0.113 0.000 1.122 485 W HN 0.047 nan 8.180 nan 0.000 0.561 486 K N -0.800 119.549 120.400 -0.085 0.000 2.211 486 K HA -0.078 4.242 4.320 0.000 0.000 0.203 486 K C 1.873 178.604 176.600 0.218 0.000 1.050 486 K CA 1.567 57.818 56.287 -0.060 0.000 0.945 486 K CB -0.417 31.972 32.500 -0.185 0.000 0.732 486 K HN 0.020 nan 8.250 nan 0.000 0.451 487 T N 0.418 115.062 114.554 0.151 0.000 2.857 487 T HA -0.083 4.267 4.350 0.000 0.000 0.266 487 T C 1.520 176.328 174.700 0.179 0.000 1.048 487 T CA 0.967 63.169 62.100 0.169 0.000 1.139 487 T CB -0.240 68.696 68.868 0.114 0.000 0.874 487 T HN 0.284 nan 8.240 nan 0.000 0.455 488 Y N 0.534 120.891 120.300 0.096 0.000 2.097 488 Y HA -0.158 4.392 4.550 0.000 0.000 0.282 488 Y C 2.456 178.452 175.900 0.161 0.000 1.152 488 Y CA 0.262 58.436 58.100 0.122 0.000 1.136 488 Y CB -0.340 38.244 38.460 0.207 0.000 0.975 488 Y HN 0.116 nan 8.280 nan 0.000 0.498 489 L N 0.549 122.006 121.223 0.390 0.000 2.012 489 L HA -0.213 4.127 4.340 0.000 0.000 0.210 489 L C 2.495 179.524 176.870 0.266 0.000 1.073 489 L CA 1.988 57.017 54.840 0.315 0.000 0.748 489 L CB -0.988 41.232 42.059 0.269 0.000 0.891 489 L HN 0.154 nan 8.230 nan 0.000 0.431 490 A N -0.829 122.081 122.820 0.150 0.000 1.933 490 A HA -0.168 4.152 4.320 0.000 0.000 0.218 490 A C 2.266 179.930 177.584 0.133 0.000 1.175 490 A CA 1.927 53.982 52.037 0.030 0.000 0.628 490 A CB -0.841 17.828 19.000 -0.553 0.000 0.814 490 A HN 0.501 nan 8.150 nan 0.000 0.444 491 L N -0.611 120.680 121.223 0.112 0.000 2.056 491 L HA -0.163 4.177 4.340 0.000 0.000 0.207 491 L C 2.471 179.451 176.870 0.184 0.000 1.078 491 L CA 1.188 56.111 54.840 0.138 0.000 0.749 491 L CB -0.500 41.635 42.059 0.125 0.000 0.901 491 L HN 0.378 nan 8.230 nan 0.000 0.433 492 I N -0.930 119.761 120.570 0.203 0.000 2.226 492 I HA -0.339 3.831 4.170 0.000 0.000 0.245 492 I C 2.498 178.803 176.117 0.313 0.000 1.100 492 I CA 1.470 62.888 61.300 0.196 0.000 1.374 492 I CB -0.319 37.770 38.000 0.148 0.000 1.057 492 I HN 0.177 nan 8.210 nan 0.000 0.413 493 F N 1.558 121.679 119.950 0.285 0.000 2.113 493 F HA -0.251 4.276 4.527 0.000 0.000 0.297 493 F C 2.689 178.730 175.800 0.401 0.000 1.103 493 F CA 1.882 60.118 58.000 0.394 0.000 1.248 493 F CB -0.582 38.651 39.000 0.387 0.000 0.999 493 F HN 0.011 nan 8.300 nan 0.000 0.475 494 Q N -0.356 119.627 119.800 0.305 0.000 2.077 494 Q HA -0.232 4.108 4.340 0.000 0.000 0.206 494 Q C 1.959 178.004 176.000 0.074 0.000 0.989 494 Q CA 2.002 57.970 55.803 0.274 0.000 0.853 494 Q CB -0.143 28.811 28.738 0.358 0.000 0.907 494 Q HN 0.339 nan 8.270 nan 0.000 0.418 495 M N -0.057 119.605 119.600 0.102 0.000 2.619 495 M HA -0.028 4.452 4.480 0.000 0.000 0.251 495 M C 1.420 177.769 176.300 0.082 0.000 1.106 495 M CA 1.177 56.522 55.300 0.074 0.000 1.086 495 M CB -0.254 32.397 32.600 0.085 0.000 1.465 495 M HN 0.303 nan 8.290 nan 0.000 0.506 496 T N -4.393 110.228 114.554 0.111 0.000 3.091 496 T HA 0.145 4.495 4.350 0.000 0.000 0.277 496 T C 0.085 174.916 174.700 0.219 0.000 0.996 496 T CA -0.418 61.785 62.100 0.172 0.000 0.897 496 T CB -0.019 68.991 68.868 0.237 0.000 1.109 496 T HN 0.087 nan 8.240 nan 0.000 0.534 497 Y N 1.494 121.712 120.300 -0.138 0.000 2.496 497 Y HA 0.629 5.179 4.550 -0.000 0.000 0.325 497 Y C -0.133 175.684 175.900 -0.138 0.000 1.271 497 Y CA -2.083 55.871 58.100 -0.243 0.000 1.368 497 Y CB 1.113 39.168 38.460 -0.675 0.000 1.415 497 Y HN -0.049 nan 8.280 nan 0.000 0.527 498 V N 2.881 122.173 119.914 -1.037 0.000 2.455 498 V HA 0.586 4.706 4.120 0.000 0.000 0.273 498 V C 0.287 176.051 176.094 -0.550 0.000 1.045 498 V CA 0.559 62.425 62.300 -0.724 0.000 0.976 498 V CB -0.159 31.176 31.823 -0.813 0.000 0.993 498 V HN 1.019 nan 8.190 nan 0.000 0.475 499 G N 3.529 112.125 108.800 -0.340 0.000 2.428 499 G HA2 -0.026 3.934 3.960 0.000 0.000 0.681 499 G HA3 -0.026 3.934 3.960 0.000 0.000 0.681 499 G C -0.490 174.250 174.900 -0.266 0.000 1.340 499 G CA -0.749 44.171 45.100 -0.300 0.000 0.915 499 G HN 0.634 nan 8.290 nan 0.000 0.645 500 T N 3.338 117.744 114.554 -0.247 0.000 2.761 500 T HA 0.430 4.780 4.350 0.000 0.000 0.287 500 T C -2.147 172.430 174.700 -0.205 0.000 0.931 500 T CA -0.036 61.951 62.100 -0.188 0.000 1.164 500 T CB 0.861 69.634 68.868 -0.158 0.000 0.876 500 T HN 0.387 nan 8.240 nan 0.000 0.534 501 P HA 0.199 nan 4.420 nan 0.000 0.267 501 P C -0.464 176.803 177.300 -0.056 0.000 1.205 501 P CA -0.092 62.920 63.100 -0.145 0.000 0.765 501 P CB 0.464 32.132 31.700 -0.054 0.000 0.828 502 T N 4.812 119.342 114.554 -0.040 0.000 2.847 502 T HA 0.471 4.821 4.350 0.000 0.000 0.291 502 T C 0.111 174.887 174.700 0.127 0.000 0.998 502 T CA -0.328 61.817 62.100 0.075 0.000 0.967 502 T CB 0.270 69.212 68.868 0.124 0.000 0.954 502 T HN 0.166 nan 8.240 nan 0.000 0.441 503 I N 3.749 124.388 120.570 0.116 0.000 2.297 503 I HA 0.236 4.406 4.170 0.000 0.000 0.291 503 I C -0.409 175.670 176.117 -0.063 0.000 1.033 503 I CA -0.929 60.422 61.300 0.085 0.000 1.253 503 I CB 0.452 38.562 38.000 0.183 0.000 1.396 503 I HN 0.566 nan 8.210 nan 0.000 0.476 504 Y N 9.202 129.422 120.300 -0.134 0.000 2.480 504 Y HA 0.077 4.627 4.550 0.000 0.000 0.341 504 Y C 0.170 175.899 175.900 -0.285 0.000 1.031 504 Y CA -1.429 56.556 58.100 -0.192 0.000 1.295 504 Y CB -0.162 38.221 38.460 -0.128 0.000 1.162 504 Y HN 0.478 nan 8.280 nan 0.000 0.523 505 Y N 5.081 124.913 120.300 -0.780 0.000 2.981 505 Y HA 0.194 4.744 4.550 0.000 0.000 0.359 505 Y C 1.059 176.802 175.900 -0.262 0.000 1.271 505 Y CA 0.447 58.213 58.100 -0.557 0.000 1.617 505 Y CB -0.244 37.952 38.460 -0.440 0.000 1.154 505 Y HN 0.952 nan 8.280 nan 0.000 0.570 506 G N 2.907 111.637 108.800 -0.117 0.000 2.313 506 G HA2 -0.348 3.612 3.960 0.000 0.000 0.215 506 G HA3 -0.348 3.612 3.960 0.000 0.000 0.215 506 G C 0.704 175.148 174.900 -0.760 0.000 1.023 506 G CA 0.257 44.925 45.100 -0.721 0.000 0.626 506 G HN 0.604 nan 8.290 nan 0.000 0.503 507 D N 1.491 121.659 120.400 -0.386 0.000 2.221 507 D HA -0.032 4.608 4.640 0.000 0.000 0.204 507 D C 2.480 178.729 176.300 -0.086 0.000 0.982 507 D CA 1.434 55.324 54.000 -0.184 0.000 0.857 507 D CB -0.087 40.698 40.800 -0.026 0.000 0.934 507 D HN 0.751 nan 8.370 nan 0.000 0.475 508 E N 0.410 120.614 120.200 0.007 0.000 2.338 508 E HA -0.201 4.149 4.350 0.000 0.000 0.197 508 E C 1.253 177.959 176.600 0.176 0.000 1.007 508 E CA 0.827 57.312 56.400 0.142 0.000 0.849 508 E CB -0.509 29.361 29.700 0.282 0.000 0.774 508 E HN 0.581 nan 8.360 nan 0.000 0.506 509 Y N -1.605 118.730 120.300 0.058 0.000 2.481 509 Y HA 0.606 5.156 4.550 0.000 0.000 0.247 509 Y C 1.148 177.030 175.900 -0.030 0.000 1.151 509 Y CA -0.661 57.439 58.100 -0.001 0.000 1.238 509 Y CB 0.368 38.771 38.460 -0.096 0.000 1.179 509 Y HN 0.020 nan 8.280 nan 0.000 0.524 510 G N 1.386 110.171 108.800 -0.024 0.000 2.142 510 G HA2 -0.305 3.655 3.960 0.000 0.000 0.225 510 G HA3 -0.305 3.655 3.960 0.000 0.000 0.225 510 G C 0.095 174.942 174.900 -0.089 0.000 1.015 510 G CA 0.036 45.130 45.100 -0.010 0.000 0.716 510 G HN 0.565 nan 8.290 nan 0.000 0.508 511 M N 0.671 120.019 119.600 -0.419 0.000 2.260 511 M HA 0.232 4.712 4.480 0.000 0.000 0.348 511 M C 0.765 176.957 176.300 -0.180 0.000 1.342 511 M CA 0.659 55.741 55.300 -0.363 0.000 1.040 511 M CB 0.251 32.414 32.600 -0.728 0.000 1.810 511 M HN 0.449 nan 8.290 nan 0.000 0.453 512 Q N 2.611 122.353 119.800 -0.096 0.000 2.169 512 Q HA 0.832 5.172 4.340 0.000 0.000 0.234 512 Q C -0.339 175.619 176.000 -0.070 0.000 0.980 512 Q CA -0.633 55.133 55.803 -0.062 0.000 0.941 512 Q CB 1.960 30.678 28.738 -0.033 0.000 1.199 512 Q HN 0.952 nan 8.270 nan 0.000 0.496 513 G N -0.959 107.819 108.800 -0.037 0.000 2.308 513 G HA2 0.370 4.330 3.960 0.000 0.000 0.288 513 G HA3 0.370 4.330 3.960 0.000 0.000 0.288 513 G C -0.683 174.220 174.900 0.004 0.000 1.722 513 G CA -0.443 44.641 45.100 -0.027 0.000 0.924 513 G HN 0.674 nan 8.290 nan 0.000 0.732 514 G N 0.077 108.894 108.800 0.029 0.000 2.666 514 G HA2 0.818 4.778 3.960 0.000 0.000 0.207 514 G HA3 0.818 4.778 3.960 0.000 0.000 0.207 514 G C 0.911 175.839 174.900 0.047 0.000 1.481 514 G CA 0.544 45.672 45.100 0.047 0.000 1.071 514 G HN 1.865 nan 8.290 nan 0.000 0.572 515 A N -0.615 122.244 122.820 0.065 0.000 2.366 515 A HA 0.412 4.732 4.320 0.000 0.000 0.249 515 A C 0.433 178.033 177.584 0.027 0.000 1.084 515 A CA -0.008 52.063 52.037 0.057 0.000 0.794 515 A CB 0.041 19.084 19.000 0.072 0.000 1.034 515 A HN 0.647 nan 8.150 nan 0.000 0.491 516 D N 1.026 121.429 120.400 0.004 0.000 2.648 516 D HA -0.021 4.619 4.640 0.000 0.000 0.229 516 D C -1.134 175.139 176.300 -0.046 0.000 1.119 516 D CA -0.489 53.489 54.000 -0.038 0.000 0.850 516 D CB 0.686 41.472 40.800 -0.024 0.000 1.169 516 D HN 0.276 nan 8.370 nan 0.000 0.489 517 P HA 0.027 nan 4.420 nan 0.000 0.255 517 P C 0.501 177.624 177.300 -0.296 0.000 1.248 517 P CA 0.033 62.993 63.100 -0.232 0.000 0.807 517 P CB 0.402 31.940 31.700 -0.269 0.000 1.150 518 D N 1.728 121.969 120.400 -0.266 0.000 2.384 518 D HA -0.115 4.525 4.640 0.000 0.000 0.222 518 D C 1.132 177.361 176.300 -0.119 0.000 0.976 518 D CA 0.703 54.593 54.000 -0.183 0.000 0.915 518 D CB -0.381 40.423 40.800 0.007 0.000 0.896 518 D HN 0.165 nan 8.370 nan 0.000 0.523 519 N N -0.617 118.023 118.700 -0.099 0.000 2.322 519 N HA 0.015 4.755 4.740 0.000 0.000 0.194 519 N C 0.117 175.591 175.510 -0.060 0.000 1.126 519 N CA 0.001 53.029 53.050 -0.036 0.000 0.845 519 N CB 0.044 38.548 38.487 0.028 0.000 0.976 519 N HN 0.029 nan 8.380 nan 0.000 0.475 520 R N 0.169 120.541 120.500 -0.212 0.000 2.816 520 R HA 0.290 4.630 4.340 0.000 0.000 0.382 520 R C -0.332 175.770 176.300 -0.331 0.000 1.140 520 R CA -0.518 55.379 56.100 -0.339 0.000 1.050 520 R CB 0.651 30.510 30.300 -0.735 0.000 1.396 520 R HN 0.055 nan 8.270 nan 0.000 0.583 521 R N 1.069 121.391 120.500 -0.297 0.000 2.738 521 R HA 0.080 4.420 4.340 0.000 0.000 0.268 521 R C 0.478 176.539 176.300 -0.399 0.000 1.062 521 R CA 0.159 56.033 56.100 -0.376 0.000 1.158 521 R CB 0.476 30.611 30.300 -0.275 0.000 1.046 521 R HN 0.196 nan 8.270 nan 0.000 0.493 522 S N 1.327 116.577 115.700 -0.750 0.000 2.576 522 S HA 0.072 4.542 4.470 0.000 0.000 0.276 522 S C -0.175 174.272 174.600 -0.254 0.000 1.339 522 S CA -0.706 56.971 58.200 -0.871 0.000 1.039 522 S CB 0.466 62.529 63.200 -1.894 0.000 0.902 522 S HN 0.447 nan 8.310 nan 0.000 0.516 523 F N 2.236 122.201 119.950 0.025 0.000 2.467 523 F HA 0.235 4.762 4.527 0.000 0.000 0.362 523 F C 0.481 176.370 175.800 0.147 0.000 1.090 523 F CA -0.548 57.547 58.000 0.158 0.000 1.202 523 F CB 0.500 39.613 39.000 0.188 0.000 1.113 523 F HN 0.681 nan 8.300 nan 0.000 0.541 524 D N 6.075 126.296 120.400 -0.298 0.000 2.374 524 D HA -0.013 4.627 4.640 0.000 0.000 0.240 524 D C 0.385 176.355 176.300 -0.551 0.000 1.229 524 D CA -0.123 53.709 54.000 -0.281 0.000 0.895 524 D CB 0.156 40.711 40.800 -0.408 0.000 1.046 524 D HN 0.634 nan 8.370 nan 0.000 0.498 525 W N 2.003 123.321 121.300 0.030 0.000 2.525 525 W HA -0.126 4.534 4.660 0.000 0.000 0.259 525 W C 2.522 178.953 176.519 -0.147 0.000 1.253 525 W CA 0.751 58.088 57.345 -0.014 0.000 1.262 525 W CB -0.119 29.335 29.460 -0.009 0.000 1.122 525 W HN 0.479 nan 8.180 nan 0.000 0.607 526 S N -0.785 114.900 115.700 -0.025 0.000 2.481 526 S HA -0.133 4.337 4.470 0.000 0.000 0.231 526 S C 1.524 176.018 174.600 -0.177 0.000 0.996 526 S CA 0.762 58.925 58.200 -0.062 0.000 0.942 526 S CB -0.165 63.003 63.200 -0.053 0.000 0.768 526 S HN 0.239 nan 8.310 nan 0.000 0.520 527 Q N 0.534 120.088 119.800 -0.410 0.000 2.319 527 Q HA 0.405 4.745 4.340 0.000 0.000 0.202 527 Q C 0.792 176.581 176.000 -0.351 0.000 0.896 527 Q CA 0.526 56.015 55.803 -0.523 0.000 0.942 527 Q CB 0.351 28.408 28.738 -1.135 0.000 1.083 527 Q HN 0.681 nan 8.270 nan 0.000 0.510 528 A N 1.792 124.467 122.820 -0.241 0.000 3.197 528 A HA 0.310 4.630 4.320 0.000 0.000 0.263 528 A C 0.290 177.978 177.584 0.173 0.000 1.524 528 A CA 0.063 52.089 52.037 -0.019 0.000 1.176 528 A CB -0.618 18.210 19.000 -0.286 0.000 1.096 528 A HN 0.170 nan 8.150 nan 0.000 0.655 529 T N -4.089 110.558 114.554 0.155 0.000 2.843 529 T HA 0.563 4.913 4.350 0.000 0.000 0.302 529 T C -2.576 172.202 174.700 0.129 0.000 1.232 529 T CA -1.304 60.893 62.100 0.161 0.000 1.009 529 T CB 1.957 70.879 68.868 0.090 0.000 1.254 529 T HN -0.061 nan 8.240 nan 0.000 0.504 530 P HA -0.007 nan 4.420 nan 0.000 0.226 530 P C 1.346 178.675 177.300 0.049 0.000 1.146 530 P CA 0.604 63.749 63.100 0.074 0.000 0.773 530 P CB -0.067 31.667 31.700 0.057 0.000 0.772 531 S N -0.557 115.169 115.700 0.044 0.000 2.423 531 S HA -0.074 4.396 4.470 0.000 0.000 0.231 531 S C 1.196 175.812 174.600 0.025 0.000 1.014 531 S CA 0.277 58.493 58.200 0.027 0.000 0.965 531 S CB -0.774 62.437 63.200 0.018 0.000 0.785 531 S HN 0.312 nan 8.310 nan 0.000 0.495 532 N N 1.621 120.341 118.700 0.034 0.000 2.470 532 N HA 0.036 4.776 4.740 0.000 0.000 0.268 532 N C 1.089 176.634 175.510 0.058 0.000 1.136 532 N CA 0.370 53.445 53.050 0.042 0.000 0.961 532 N CB 1.329 39.843 38.487 0.045 0.000 1.067 532 N HN 0.229 nan 8.380 nan 0.000 0.468 533 S N 3.594 119.327 115.700 0.055 0.000 2.382 533 S HA -0.169 4.301 4.470 0.000 0.000 0.228 533 S C 1.873 176.486 174.600 0.021 0.000 1.027 533 S CA 1.042 59.251 58.200 0.015 0.000 0.991 533 S CB -0.309 62.904 63.200 0.022 0.000 0.823 533 S HN 0.638 nan 8.310 nan 0.000 0.469 534 A N 1.324 124.243 122.820 0.166 0.000 1.929 534 A HA 0.159 4.479 4.320 0.000 0.000 0.216 534 A C 2.398 180.064 177.584 0.136 0.000 1.176 534 A CA 1.341 53.500 52.037 0.203 0.000 0.628 534 A CB -0.958 18.190 19.000 0.246 0.000 0.816 534 A HN 0.439 nan 8.150 nan 0.000 0.444 535 V N -0.066 119.939 119.914 0.151 0.000 2.358 535 V HA -0.233 3.887 4.120 0.000 0.000 0.246 535 V C 3.055 179.207 176.094 0.096 0.000 1.047 535 V CA 1.864 64.263 62.300 0.165 0.000 1.035 535 V CB -1.184 30.769 31.823 0.216 0.000 0.658 535 V HN 0.599 nan 8.190 nan 0.000 0.452 536 A N -0.516 122.340 122.820 0.059 0.000 1.902 536 A HA -0.188 4.132 4.320 0.000 0.000 0.217 536 A C 2.292 179.874 177.584 -0.003 0.000 1.181 536 A CA 1.961 54.011 52.037 0.022 0.000 0.623 536 A CB -0.561 18.438 19.000 -0.001 0.000 0.818 536 A HN 0.467 nan 8.150 nan 0.000 0.443 537 L N -0.627 120.576 121.223 -0.035 0.000 2.046 537 L HA -0.158 4.182 4.340 0.000 0.000 0.208 537 L C 2.671 179.544 176.870 0.005 0.000 1.077 537 L CA 2.134 56.941 54.840 -0.054 0.000 0.747 537 L CB -0.641 41.334 42.059 -0.139 0.000 0.896 537 L HN 0.418 nan 8.230 nan 0.000 0.432 538 T N -0.804 113.775 114.554 0.042 0.000 2.684 538 T HA -0.322 4.028 4.350 0.000 0.000 0.267 538 T C 1.689 176.413 174.700 0.040 0.000 1.036 538 T CA 1.904 64.041 62.100 0.062 0.000 1.148 538 T CB -0.219 68.707 68.868 0.097 0.000 0.863 538 T HN 0.437 nan 8.240 nan 0.000 0.436 539 Q N 0.892 120.708 119.800 0.028 0.000 2.096 539 Q HA -0.184 4.156 4.340 0.000 0.000 0.204 539 Q C 2.359 178.366 176.000 0.010 0.000 0.982 539 Q CA 1.635 57.443 55.803 0.008 0.000 0.850 539 Q CB -0.133 28.609 28.738 0.007 0.000 0.901 539 Q HN 0.456 nan 8.270 nan 0.000 0.422 540 K N 0.155 120.562 120.400 0.012 0.000 2.026 540 K HA -0.139 4.181 4.320 0.000 0.000 0.208 540 K C 2.157 178.773 176.600 0.026 0.000 1.048 540 K CA 1.244 57.539 56.287 0.013 0.000 0.929 540 K CB -0.128 32.375 32.500 0.005 0.000 0.713 540 K HN 0.288 nan 8.250 nan 0.000 0.439 541 L N 0.814 122.055 121.223 0.030 0.000 2.083 541 L HA -0.164 4.176 4.340 0.000 0.000 0.209 541 L C 2.376 179.278 176.870 0.053 0.000 1.083 541 L CA 0.975 55.843 54.840 0.047 0.000 0.752 541 L CB -0.274 41.817 42.059 0.053 0.000 0.899 541 L HN 0.237 nan 8.230 nan 0.000 0.433 542 I N -0.820 119.773 120.570 0.040 0.000 2.315 542 I HA -0.238 3.932 4.170 0.000 0.000 0.248 542 I C 2.463 178.596 176.117 0.025 0.000 1.117 542 I CA 1.236 62.556 61.300 0.033 0.000 1.404 542 I CB -0.383 37.629 38.000 0.021 0.000 1.071 542 I HN 0.220 nan 8.210 nan 0.000 0.419 543 T N 1.197 115.761 114.554 0.017 0.000 2.746 543 T HA -0.115 4.235 4.350 0.000 0.000 0.267 543 T C 1.923 176.629 174.700 0.010 0.000 1.039 543 T CA 1.355 63.456 62.100 0.003 0.000 1.142 543 T CB -0.212 68.656 68.868 -0.001 0.000 0.866 543 T HN 0.226 nan 8.240 nan 0.000 0.444 544 I N 0.524 121.126 120.570 0.053 0.000 2.179 544 I HA -0.172 3.998 4.170 0.000 0.000 0.242 544 I C 2.823 179.041 176.117 0.168 0.000 1.088 544 I CA 1.290 62.669 61.300 0.131 0.000 1.357 544 I CB -0.334 37.763 38.000 0.163 0.000 1.051 544 I HN 0.114 nan 8.210 nan 0.000 0.409 545 R N 1.164 121.733 120.500 0.115 0.000 2.096 545 R HA -0.158 4.182 4.340 0.000 0.000 0.235 545 R C 1.856 178.198 176.300 0.070 0.000 1.127 545 R CA 1.858 58.023 56.100 0.109 0.000 0.968 545 R CB -0.247 30.095 30.300 0.070 0.000 0.861 545 R HN 0.452 nan 8.270 nan 0.000 0.440 546 N N -0.226 118.490 118.700 0.027 0.000 2.459 546 N HA -0.152 4.588 4.740 0.000 0.000 0.181 546 N C 1.640 177.114 175.510 -0.059 0.000 1.046 546 N CA 0.451 53.498 53.050 -0.005 0.000 0.904 546 N CB 0.125 38.608 38.487 -0.007 0.000 0.964 546 N HN 0.333 nan 8.380 nan 0.000 0.444 547 Q N -0.079 119.643 119.800 -0.131 0.000 2.269 547 Q HA -0.016 4.324 4.340 0.000 0.000 0.201 547 Q C -0.548 175.182 176.000 -0.451 0.000 0.946 547 Q CA 0.702 56.292 55.803 -0.354 0.000 0.877 547 Q CB 0.417 28.805 28.738 -0.583 0.000 0.963 547 Q HN 0.383 nan 8.270 nan 0.000 0.472 548 Y N -0.485 119.821 120.300 0.010 0.000 2.388 548 Y HA 0.311 4.861 4.550 0.000 0.000 0.328 548 Y C -1.968 173.934 175.900 0.004 0.000 0.963 548 Y CA -2.528 55.578 58.100 0.010 0.000 1.240 548 Y CB 1.674 40.144 38.460 0.017 0.000 1.118 548 Y HN 0.104 nan 8.280 nan 0.000 0.484 549 P HA -0.242 nan 4.420 nan 0.000 0.219 549 P C 1.412 178.746 177.300 0.056 0.000 1.146 549 P CA 1.917 65.054 63.100 0.061 0.000 0.808 549 P CB 0.351 32.070 31.700 0.032 0.000 0.779 550 A N -0.692 122.179 122.820 0.086 0.000 2.024 550 A HA -0.174 4.146 4.320 0.000 0.000 0.220 550 A C 2.073 179.682 177.584 0.042 0.000 1.164 550 A CA 1.385 53.449 52.037 0.044 0.000 0.643 550 A CB -1.561 17.473 19.000 0.057 0.000 0.806 550 A HN 0.175 nan 8.150 nan 0.000 0.451 551 L N -2.021 119.248 121.223 0.078 0.000 2.313 551 L HA -0.059 4.281 4.340 0.000 0.000 0.214 551 L C 2.693 179.579 176.870 0.027 0.000 1.119 551 L CA 0.945 55.827 54.840 0.071 0.000 0.809 551 L CB -0.216 41.906 42.059 0.105 0.000 0.933 551 L HN 0.296 nan 8.230 nan 0.000 0.449 552 R N -0.759 119.747 120.500 0.011 0.000 2.123 552 R HA 0.020 4.360 4.340 0.000 0.000 0.209 552 R C 1.609 177.872 176.300 -0.062 0.000 1.078 552 R CA 1.414 57.494 56.100 -0.033 0.000 1.028 552 R CB 0.026 30.311 30.300 -0.025 0.000 0.939 552 R HN 0.284 nan 8.270 nan 0.000 0.463 553 T N -3.334 111.191 114.554 -0.049 0.000 3.209 553 T HA 0.342 4.692 4.350 0.000 0.000 0.295 553 T C 0.724 175.384 174.700 -0.066 0.000 0.977 553 T CA -0.270 61.791 62.100 -0.066 0.000 0.922 553 T CB 0.817 69.645 68.868 -0.067 0.000 1.152 553 T HN 0.164 nan 8.240 nan 0.000 0.527 554 G N 1.135 109.899 108.800 -0.061 0.000 2.588 554 G HA2 0.512 4.472 3.960 0.000 0.000 0.281 554 G HA3 0.512 4.472 3.960 0.000 0.000 0.281 554 G C -0.178 174.642 174.900 -0.134 0.000 1.236 554 G CA -0.550 44.482 45.100 -0.112 0.000 0.969 554 G HN 0.335 nan 8.290 nan 0.000 0.504 555 S N -1.256 114.249 115.700 -0.324 0.000 2.600 555 S HA 0.399 4.869 4.470 0.000 0.000 0.265 555 S C -0.825 173.751 174.600 -0.041 0.000 1.325 555 S CA 0.077 58.127 58.200 -0.251 0.000 1.002 555 S CB 0.759 63.589 63.200 -0.617 0.000 0.921 555 S HN 0.434 nan 8.310 nan 0.000 0.554 556 F N 2.043 122.045 119.950 0.088 0.000 2.518 556 F HA 0.654 5.181 4.527 -0.000 0.000 0.323 556 F C -0.620 175.376 175.800 0.326 0.000 1.129 556 F CA -0.735 57.375 58.000 0.183 0.000 0.920 556 F CB 1.127 40.184 39.000 0.095 0.000 1.160 556 F HN 0.452 nan 8.300 nan 0.000 0.440 557 M N 5.801 125.305 119.600 -0.161 0.000 2.267 557 M HA 0.372 4.852 4.480 0.000 0.000 0.289 557 M C -1.262 174.917 176.300 -0.202 0.000 1.043 557 M CA -0.283 54.995 55.300 -0.037 0.000 0.928 557 M CB 1.992 34.410 32.600 -0.303 0.000 1.613 557 M HN 0.636 nan 8.290 nan 0.000 0.450 558 T N 5.416 120.019 114.554 0.082 0.000 2.901 558 T HA 0.323 4.673 4.350 0.000 0.000 0.301 558 T C 0.963 175.666 174.700 0.006 0.000 1.012 558 T CA -0.147 62.023 62.100 0.116 0.000 1.135 558 T CB 0.705 69.759 68.868 0.311 0.000 0.936 558 T HN 0.664 nan 8.240 nan 0.000 0.539 559 L N 2.416 123.615 121.223 -0.039 0.000 2.600 559 L HA 0.492 4.832 4.340 0.000 0.000 0.213 559 L C 0.221 177.088 176.870 -0.004 0.000 1.045 559 L CA 0.323 55.106 54.840 -0.094 0.000 0.863 559 L CB 0.342 42.285 42.059 -0.193 0.000 1.189 559 L HN 0.488 nan 8.230 nan 0.000 0.484 560 I N 0.044 120.651 120.570 0.061 0.000 2.607 560 I HA 0.229 4.399 4.170 0.000 0.000 0.290 560 I C -0.838 175.435 176.117 0.260 0.000 1.129 560 I CA -0.276 61.099 61.300 0.126 0.000 1.042 560 I CB 2.403 40.455 38.000 0.087 0.000 1.242 560 I HN -0.054 nan 8.210 nan 0.000 0.421 561 T N -0.234 114.454 114.554 0.223 0.000 3.226 561 T HA 0.278 4.628 4.350 0.000 0.000 0.378 561 T C -0.885 173.909 174.700 0.157 0.000 1.380 561 T CA -0.684 61.551 62.100 0.226 0.000 1.396 561 T CB 0.581 69.552 68.868 0.172 0.000 1.044 561 T HN 0.417 nan 8.240 nan 0.000 0.586 562 D N 2.158 122.654 120.400 0.161 0.000 2.443 562 D HA 0.245 4.885 4.640 0.000 0.000 0.221 562 D C 0.302 176.667 176.300 0.107 0.000 1.097 562 D CA -0.473 53.590 54.000 0.105 0.000 0.865 562 D CB 1.172 42.013 40.800 0.068 0.000 1.034 562 D HN 0.310 nan 8.370 nan 0.000 0.511 563 D N 1.876 122.332 120.400 0.093 0.000 2.149 563 D HA -0.106 4.534 4.640 0.000 0.000 0.201 563 D C 1.585 177.924 176.300 0.065 0.000 0.972 563 D CA 1.045 55.102 54.000 0.096 0.000 0.835 563 D CB 0.202 41.051 40.800 0.081 0.000 0.966 563 D HN 0.421 nan 8.370 nan 0.000 0.476 564 T N 1.214 115.788 114.554 0.035 0.000 2.708 564 T HA -0.085 4.265 4.350 0.000 0.000 0.266 564 T C 1.454 176.141 174.700 -0.023 0.000 1.037 564 T CA 0.905 63.013 62.100 0.012 0.000 1.146 564 T CB -0.065 68.806 68.868 0.005 0.000 0.865 564 T HN 0.120 nan 8.240 nan 0.000 0.435 565 N N 0.759 119.397 118.700 -0.104 0.000 2.336 565 N HA 0.089 4.829 4.740 0.000 0.000 0.189 565 N C -0.078 175.346 175.510 -0.143 0.000 1.113 565 N CA 0.156 53.009 53.050 -0.328 0.000 0.858 565 N CB 0.181 38.217 38.487 -0.752 0.000 0.970 565 N HN 0.457 nan 8.380 nan 0.000 0.471 566 K N 0.607 121.021 120.400 0.024 0.000 3.096 566 K HA -0.138 4.182 4.320 0.000 0.000 0.266 566 K C -0.784 175.963 176.600 0.244 0.000 1.043 566 K CA 0.512 56.889 56.287 0.149 0.000 0.758 566 K CB -1.123 31.415 32.500 0.063 0.000 1.260 566 K HN 0.158 nan 8.250 nan 0.000 0.481 567 I N 1.180 121.880 120.570 0.217 0.000 2.354 567 I HA 0.243 4.413 4.170 0.000 0.000 0.292 567 I C -0.057 176.301 176.117 0.401 0.000 0.989 567 I CA -0.395 61.068 61.300 0.271 0.000 1.188 567 I CB 0.932 39.005 38.000 0.121 0.000 1.342 567 I HN 0.118 nan 8.210 nan 0.000 0.457 568 Y N 5.118 125.608 120.300 0.316 0.000 2.350 568 Y HA 0.492 5.042 4.550 -0.000 0.000 0.338 568 Y C -0.343 175.689 175.900 0.221 0.000 0.961 568 Y CA -0.395 57.860 58.100 0.258 0.000 1.100 568 Y CB 1.707 40.298 38.460 0.219 0.000 1.179 568 Y HN 0.592 nan 8.280 nan 0.000 0.454 569 S N 5.907 121.570 115.700 -0.062 0.000 2.538 569 S HA 0.688 5.158 4.470 0.000 0.000 0.288 569 S C -1.795 172.591 174.600 -0.357 0.000 1.108 569 S CA -0.368 57.667 58.200 -0.276 0.000 0.971 569 S CB 0.829 63.941 63.200 -0.146 0.000 1.041 569 S HN 0.694 nan 8.310 nan 0.000 0.483 570 Y N 0.329 120.360 120.300 -0.447 0.000 2.597 570 Y HA 0.851 5.401 4.550 -0.000 0.000 0.340 570 Y C -0.113 175.531 175.900 -0.428 0.000 1.097 570 Y CA -1.167 56.617 58.100 -0.528 0.000 1.037 570 Y CB 0.694 38.684 38.460 -0.785 0.000 1.305 570 Y HN 0.725 nan 8.280 nan 0.000 0.463 571 G N 1.590 110.208 108.800 -0.303 0.000 2.448 571 G HA2 0.709 4.669 3.960 0.000 0.000 0.324 571 G HA3 0.709 4.669 3.960 0.000 0.000 0.324 571 G C -1.331 173.577 174.900 0.013 0.000 1.203 571 G CA -1.291 43.695 45.100 -0.190 0.000 0.954 571 G HN 0.469 nan 8.290 nan 0.000 0.480 572 R N 0.433 121.002 120.500 0.116 0.000 2.513 572 R HA 0.588 4.928 4.340 0.000 0.000 0.301 572 R C -1.199 175.258 176.300 0.261 0.000 0.968 572 R CA -0.768 55.432 56.100 0.167 0.000 0.872 572 R CB 1.192 31.557 30.300 0.108 0.000 1.177 572 R HN 0.683 nan 8.270 nan 0.000 0.444 573 F N -0.701 119.230 119.950 -0.032 0.000 2.678 573 F HA 0.640 5.167 4.527 0.000 0.000 0.308 573 F C -0.993 174.802 175.800 -0.007 0.000 1.118 573 F CA -1.116 56.862 58.000 -0.037 0.000 0.959 573 F CB 1.662 40.621 39.000 -0.068 0.000 1.305 573 F HN 0.432 nan 8.300 nan 0.000 0.443 574 D N -0.534 119.891 120.400 0.041 0.000 2.958 574 D HA 0.272 4.912 4.640 0.000 0.000 0.306 574 D C -0.485 175.814 176.300 -0.001 0.000 1.226 574 D CA -0.716 53.247 54.000 -0.061 0.000 1.032 574 D CB 0.339 41.102 40.800 -0.063 0.000 1.400 574 D HN 0.585 nan 8.370 nan 0.000 0.587 575 N N -1.230 117.439 118.700 -0.051 0.000 2.364 575 N HA -0.028 4.712 4.740 0.000 0.000 0.183 575 N C 1.291 176.799 175.510 -0.002 0.000 1.022 575 N CA 0.967 53.989 53.050 -0.047 0.000 0.883 575 N CB 0.259 38.703 38.487 -0.072 0.000 0.965 575 N HN 0.149 nan 8.380 nan 0.000 0.438 576 V N -0.445 119.482 119.914 0.021 0.000 2.743 576 V HA 0.111 4.231 4.120 0.000 0.000 0.237 576 V C 0.183 176.319 176.094 0.070 0.000 1.113 576 V CA 0.667 62.992 62.300 0.043 0.000 1.141 576 V CB -0.057 31.795 31.823 0.047 0.000 0.873 576 V HN 0.167 nan 8.190 nan 0.000 0.486 577 N N -0.207 118.546 118.700 0.088 0.000 2.362 577 N HA 0.685 5.425 4.740 0.000 0.000 0.299 577 N C -0.772 174.781 175.510 0.071 0.000 1.170 577 N CA -0.648 52.452 53.050 0.082 0.000 0.825 577 N CB 1.577 40.135 38.487 0.118 0.000 1.299 577 N HN 0.145 nan 8.380 nan 0.000 0.502 578 R N 1.029 121.537 120.500 0.014 0.000 2.502 578 R HA 0.565 4.905 4.340 0.000 0.000 0.300 578 R C -1.121 175.124 176.300 -0.092 0.000 0.984 578 R CA -0.464 55.637 56.100 0.000 0.000 0.882 578 R CB 1.423 31.697 30.300 -0.043 0.000 1.180 578 R HN 0.476 nan 8.270 nan 0.000 0.444 579 I N 1.862 122.373 120.570 -0.098 0.000 2.499 579 I HA 0.489 4.659 4.170 0.000 0.000 0.288 579 I C -0.453 175.559 176.117 -0.176 0.000 1.048 579 I CA -0.891 60.306 61.300 -0.171 0.000 1.062 579 I CB 2.250 40.116 38.000 -0.223 0.000 1.238 579 I HN 0.604 nan 8.210 nan 0.000 0.426 580 A N 6.620 129.318 122.820 -0.203 0.000 2.273 580 A HA 0.725 5.045 4.320 0.000 0.000 0.315 580 A C -0.553 176.853 177.584 -0.296 0.000 1.256 580 A CA -0.496 51.386 52.037 -0.259 0.000 0.851 580 A CB 0.844 19.710 19.000 -0.224 0.000 1.172 580 A HN 0.448 nan 8.150 nan 0.000 0.508 581 V N 3.153 122.781 119.914 -0.477 0.000 2.509 581 V HA 0.426 4.546 4.120 0.000 0.000 0.284 581 V C -0.157 175.659 176.094 -0.464 0.000 1.047 581 V CA -0.319 61.673 62.300 -0.513 0.000 0.952 581 V CB 1.450 32.765 31.823 -0.847 0.000 0.988 581 V HN 0.594 nan 8.190 nan 0.000 0.469 582 V N 6.476 126.259 119.914 -0.219 0.000 2.443 582 V HA 0.476 4.596 4.120 0.000 0.000 0.293 582 V C -0.387 175.741 176.094 0.055 0.000 1.021 582 V CA -0.442 61.805 62.300 -0.088 0.000 0.848 582 V CB 1.547 33.339 31.823 -0.052 0.000 0.998 582 V HN 0.630 nan 8.190 nan 0.000 0.424 583 L N 4.160 125.498 121.223 0.191 0.000 2.322 583 L HA 0.600 4.940 4.340 0.000 0.000 0.281 583 L C -0.135 176.959 176.870 0.374 0.000 1.014 583 L CA -0.458 54.592 54.840 0.351 0.000 0.815 583 L CB 1.770 44.192 42.059 0.605 0.000 1.247 583 L HN 0.524 nan 8.230 nan 0.000 0.421 584 N N 2.701 121.580 118.700 0.299 0.000 2.501 584 N HA 0.111 4.851 4.740 0.000 0.000 0.245 584 N C -0.042 175.566 175.510 0.163 0.000 0.974 584 N CA 0.010 53.209 53.050 0.247 0.000 0.941 584 N CB 0.848 39.473 38.487 0.230 0.000 1.122 584 N HN 0.617 nan 8.380 nan 0.000 0.507 585 N N 2.278 121.008 118.700 0.051 0.000 2.322 585 N HA -0.052 4.688 4.740 0.000 0.000 0.194 585 N C -0.485 174.915 175.510 -0.183 0.000 1.126 585 N CA -0.185 52.747 53.050 -0.196 0.000 0.845 585 N CB 0.353 38.355 38.487 -0.808 0.000 0.976 585 N HN 0.521 nan 8.380 nan 0.000 0.475 586 D N -0.625 119.696 120.400 -0.131 0.000 2.432 586 D HA 0.102 4.742 4.640 0.000 0.000 0.258 586 D C 0.987 176.992 176.300 -0.491 0.000 1.146 586 D CA -0.195 53.695 54.000 -0.184 0.000 1.015 586 D CB 1.563 42.426 40.800 0.104 0.000 1.107 586 D HN 0.133 nan 8.370 nan 0.000 0.529 587 S N -1.048 114.420 115.700 -0.388 0.000 2.575 587 S HA 0.192 4.662 4.470 0.000 0.000 0.215 587 S C 0.698 175.115 174.600 -0.304 0.000 0.966 587 S CA -0.110 57.841 58.200 -0.415 0.000 0.911 587 S CB -0.502 62.551 63.200 -0.245 0.000 0.780 587 S HN 0.349 nan 8.310 nan 0.000 0.514 588 V N -1.782 117.962 119.914 -0.283 0.000 3.074 588 V HA 0.776 4.896 4.120 0.000 0.000 0.314 588 V C 0.053 175.904 176.094 -0.405 0.000 1.117 588 V CA -0.983 61.131 62.300 -0.310 0.000 1.014 588 V CB 1.279 32.925 31.823 -0.296 0.000 1.057 588 V HN 0.151 nan 8.190 nan 0.000 0.438 589 S N 0.648 116.149 115.700 -0.331 0.000 2.579 589 S HA 0.473 4.943 4.470 0.000 0.000 0.275 589 S C -0.524 173.828 174.600 -0.414 0.000 1.345 589 S CA 0.165 58.215 58.200 -0.250 0.000 1.031 589 S CB -0.200 62.927 63.200 -0.121 0.000 0.892 589 S HN 0.992 nan 8.310 nan 0.000 0.529 590 H N 0.277 119.358 119.070 0.018 0.000 2.865 590 H HA 0.317 4.873 4.556 0.000 0.000 0.362 590 H C -0.796 174.549 175.328 0.030 0.000 1.114 590 H CA -0.708 55.354 56.048 0.024 0.000 1.208 590 H CB 1.815 31.596 29.762 0.032 0.000 1.727 590 H HN 0.509 nan 8.280 nan 0.000 0.534 591 T N 3.464 118.112 114.554 0.156 0.000 2.728 591 T HA 0.319 4.669 4.350 0.000 0.000 0.296 591 T C -0.197 174.549 174.700 0.076 0.000 0.940 591 T CA -0.548 61.605 62.100 0.088 0.000 1.013 591 T CB 0.258 69.164 68.868 0.063 0.000 0.912 591 T HN 0.157 nan 8.240 nan 0.000 0.484 592 V N 4.623 124.564 119.914 0.045 0.000 2.513 592 V HA 0.360 4.480 4.120 0.000 0.000 0.299 592 V C 0.217 176.309 176.094 -0.003 0.000 1.035 592 V CA -1.096 61.220 62.300 0.026 0.000 0.889 592 V CB 1.599 33.436 31.823 0.024 0.000 0.988 592 V HN 0.836 nan 8.190 nan 0.000 0.440 593 N N 2.743 121.451 118.700 0.014 0.000 2.558 593 N HA 0.364 5.104 4.740 0.000 0.000 0.233 593 N C -0.723 174.796 175.510 0.015 0.000 1.038 593 N CA -0.418 52.643 53.050 0.018 0.000 0.934 593 N CB 1.432 39.947 38.487 0.047 0.000 1.175 593 N HN 0.485 nan 8.380 nan 0.000 0.512 594 V N 4.191 124.091 119.914 -0.023 0.000 2.427 594 V HA 0.157 4.277 4.120 0.000 0.000 0.268 594 V C -1.574 174.498 176.094 -0.037 0.000 1.046 594 V CA -1.318 60.951 62.300 -0.052 0.000 0.970 594 V CB 0.699 32.461 31.823 -0.101 0.000 1.001 594 V HN 0.558 nan 8.190 nan 0.000 0.476 595 P HA 0.055 nan 4.420 nan 0.000 0.235 595 P C 0.944 178.005 177.300 -0.399 0.000 1.765 595 P CA 0.049 63.052 63.100 -0.162 0.000 1.034 595 P CB 0.518 32.078 31.700 -0.232 0.000 1.984 596 V N -0.839 118.977 119.914 -0.164 0.000 3.078 596 V HA -0.138 3.982 4.120 0.000 0.000 0.265 596 V C 2.075 178.099 176.094 -0.116 0.000 1.122 596 V CA 0.513 62.712 62.300 -0.168 0.000 1.141 596 V CB -1.665 30.116 31.823 -0.070 0.000 0.735 596 V HN 0.417 nan 8.190 nan 0.000 0.498 597 W N 0.198 121.507 121.300 0.015 0.000 2.392 597 W HA -0.101 4.559 4.660 0.000 0.000 0.279 597 W C 1.754 178.366 176.519 0.154 0.000 1.225 597 W CA 0.897 58.283 57.345 0.068 0.000 1.233 597 W CB -1.083 28.416 29.460 0.066 0.000 1.122 597 W HN 0.295 nan 8.180 nan 0.000 0.561 598 Q N 1.195 120.609 119.800 -0.642 0.000 2.226 598 Q HA -0.042 4.298 4.340 0.000 0.000 0.204 598 Q C 2.175 177.888 176.000 -0.479 0.000 0.975 598 Q CA 1.190 56.624 55.803 -0.616 0.000 0.866 598 Q CB -0.290 27.907 28.738 -0.901 0.000 0.915 598 Q HN 0.518 nan 8.270 nan 0.000 0.440 599 L N -0.543 120.408 121.223 -0.453 0.000 2.628 599 L HA 0.138 4.478 4.340 0.000 0.000 0.229 599 L C 0.352 177.030 176.870 -0.321 0.000 1.137 599 L CA -0.127 54.329 54.840 -0.641 0.000 0.909 599 L CB 0.268 41.966 42.059 -0.601 0.000 1.137 599 L HN -0.078 nan 8.230 nan 0.000 0.470 600 S N 0.533 116.211 115.700 -0.036 0.000 3.748 600 S HA -0.160 4.310 4.470 0.000 0.000 0.329 600 S C 0.433 175.077 174.600 0.072 0.000 1.104 600 S CA 0.554 58.832 58.200 0.131 0.000 0.954 600 S CB -1.203 62.089 63.200 0.154 0.000 0.910 600 S HN 0.390 nan 8.310 nan 0.000 0.494 601 M N 1.595 121.217 119.600 0.037 0.000 2.184 601 M HA 0.201 4.681 4.480 0.000 0.000 0.351 601 M C -2.282 174.064 176.300 0.077 0.000 1.395 601 M CA -1.443 53.877 55.300 0.034 0.000 1.117 601 M CB 0.186 32.789 32.600 0.006 0.000 1.708 601 M HN -0.085 nan 8.290 nan 0.000 0.468 602 P HA 0.036 nan 4.420 nan 0.000 0.268 602 P C -0.834 176.505 177.300 0.066 0.000 1.205 602 P CA 0.074 63.217 63.100 0.072 0.000 0.771 602 P CB 0.331 32.067 31.700 0.060 0.000 0.858 603 N N 1.440 120.178 118.700 0.062 0.000 2.454 603 N HA 0.204 4.944 4.740 0.000 0.000 0.254 603 N C 1.355 176.891 175.510 0.044 0.000 1.228 603 N CA 1.087 54.169 53.050 0.053 0.000 0.900 603 N CB -0.017 38.492 38.487 0.037 0.000 1.089 603 N HN 0.721 nan 8.380 nan 0.000 0.449 604 G N 0.382 109.208 108.800 0.045 0.000 2.225 604 G HA2 -0.333 3.627 3.960 0.000 0.000 0.254 604 G HA3 -0.333 3.627 3.960 0.000 0.000 0.254 604 G C 0.258 175.183 174.900 0.042 0.000 0.988 604 G CA 0.411 45.535 45.100 0.039 0.000 0.625 604 G HN 0.742 nan 8.290 nan 0.000 0.527 605 S N 0.134 115.862 115.700 0.047 0.000 2.645 605 S HA 0.725 5.195 4.470 0.000 0.000 0.266 605 S C 0.300 174.932 174.600 0.054 0.000 1.258 605 S CA 0.757 58.985 58.200 0.047 0.000 0.990 605 S CB 1.719 64.947 63.200 0.046 0.000 0.967 605 S HN 1.616 nan 8.310 nan 0.000 0.556 606 T N -1.677 112.909 114.554 0.054 0.000 2.932 606 T HA 0.741 5.091 4.350 0.000 0.000 0.289 606 T C -0.127 174.616 174.700 0.071 0.000 1.039 606 T CA -0.556 61.584 62.100 0.065 0.000 1.024 606 T CB 0.926 69.825 68.868 0.052 0.000 1.090 606 T HN 1.527 nan 8.240 nan 0.000 0.496 607 V N -1.413 118.561 119.914 0.100 0.000 3.040 607 V HA 0.894 5.014 4.120 0.000 0.000 0.312 607 V C -0.591 175.584 176.094 0.136 0.000 1.115 607 V CA -0.831 61.529 62.300 0.099 0.000 0.998 607 V CB 1.788 33.666 31.823 0.091 0.000 1.042 607 V HN 1.070 nan 8.190 nan 0.000 0.433 608 T N 2.105 116.727 114.554 0.113 0.000 2.812 608 T HA 0.370 4.721 4.350 0.000 0.000 0.282 608 T C -0.924 173.858 174.700 0.137 0.000 0.990 608 T CA -0.093 62.081 62.100 0.123 0.000 0.960 608 T CB 1.206 70.130 68.868 0.093 0.000 0.948 608 T HN 0.981 nan 8.240 nan 0.000 0.438 609 D N 2.880 123.403 120.400 0.203 0.000 2.344 609 D HA 0.105 4.745 4.640 0.000 0.000 0.253 609 D C 0.993 177.355 176.300 0.103 0.000 1.255 609 D CA -0.362 53.742 54.000 0.173 0.000 0.894 609 D CB 0.771 41.746 40.800 0.292 0.000 1.067 609 D HN 0.184 nan 8.370 nan 0.000 0.492 610 K N 3.843 124.284 120.400 0.069 0.000 2.442 610 K HA -0.033 4.287 4.320 0.000 0.000 0.198 610 K C 1.408 178.032 176.600 0.039 0.000 1.042 610 K CA 0.336 56.663 56.287 0.067 0.000 0.958 610 K CB 0.381 32.937 32.500 0.093 0.000 0.766 610 K HN 0.553 nan 8.250 nan 0.000 0.474 611 I N 0.597 121.180 120.570 0.022 0.000 2.494 611 I HA -0.124 4.046 4.170 0.000 0.000 0.250 611 I C 2.147 178.287 176.117 0.038 0.000 1.112 611 I CA 1.503 62.799 61.300 -0.007 0.000 1.438 611 I CB -1.244 36.696 38.000 -0.101 0.000 1.111 611 I HN 0.168 nan 8.210 nan 0.000 0.431 612 T N -2.744 111.837 114.554 0.046 0.000 3.015 612 T HA 0.323 4.673 4.350 0.000 0.000 0.250 612 T C 1.616 176.220 174.700 -0.160 0.000 1.057 612 T CA 0.757 62.837 62.100 -0.033 0.000 1.066 612 T CB 0.674 69.524 68.868 -0.029 0.000 0.959 612 T HN 0.412 nan 8.240 nan 0.000 0.488 613 G N 0.933 109.699 108.800 -0.056 0.000 2.195 613 G HA2 -0.233 3.727 3.960 0.000 0.000 0.246 613 G HA3 -0.233 3.727 3.960 0.000 0.000 0.246 613 G C -0.013 174.879 174.900 -0.013 0.000 0.984 613 G CA 0.117 45.191 45.100 -0.043 0.000 0.633 613 G HN 0.785 nan 8.290 nan 0.000 0.525 614 H N 0.808 119.891 119.070 0.022 0.000 2.771 614 H HA 0.532 5.088 4.556 0.000 0.000 0.364 614 H C 0.320 175.521 175.328 -0.212 0.000 1.133 614 H CA 0.588 56.569 56.048 -0.111 0.000 1.423 614 H CB 0.904 30.598 29.762 -0.113 0.000 1.425 614 H HN 0.219 nan 8.280 nan 0.000 0.606 615 S N 1.311 116.857 115.700 -0.257 0.000 2.578 615 S HA 0.449 4.919 4.470 0.000 0.000 0.301 615 S C -1.358 172.875 174.600 -0.612 0.000 1.091 615 S CA -0.679 57.369 58.200 -0.253 0.000 1.032 615 S CB 0.859 64.003 63.200 -0.093 0.000 1.064 615 S HN 0.399 nan 8.310 nan 0.000 0.508 616 Y N -0.171 120.155 120.300 0.043 0.000 2.588 616 Y HA 0.476 5.026 4.550 0.000 0.000 0.343 616 Y C 0.217 176.133 175.900 0.026 0.000 1.065 616 Y CA -0.886 57.231 58.100 0.028 0.000 1.038 616 Y CB 1.766 40.243 38.460 0.028 0.000 1.297 616 Y HN 0.413 nan 8.280 nan 0.000 0.467 617 T N 1.925 116.587 114.554 0.180 0.000 2.797 617 T HA 0.431 4.781 4.350 0.000 0.000 0.279 617 T C -0.668 174.097 174.700 0.107 0.000 0.991 617 T CA -0.681 61.485 62.100 0.110 0.000 0.979 617 T CB 1.085 69.996 68.868 0.072 0.000 0.943 617 T HN 0.330 nan 8.240 nan 0.000 0.444 618 V N 5.126 125.091 119.914 0.086 0.000 2.479 618 V HA 0.206 4.326 4.120 0.000 0.000 0.281 618 V C 0.049 176.184 176.094 0.068 0.000 1.031 618 V CA 0.008 62.354 62.300 0.077 0.000 1.038 618 V CB 0.431 32.297 31.823 0.071 0.000 0.981 618 V HN 0.727 nan 8.190 nan 0.000 0.478 619 Q N 4.024 123.865 119.800 0.067 0.000 2.304 619 Q HA 0.385 4.725 4.340 0.000 0.000 0.270 619 Q C -0.026 176.005 176.000 0.051 0.000 1.035 619 Q CA -0.620 55.215 55.803 0.052 0.000 0.781 619 Q CB 1.797 30.563 28.738 0.048 0.000 1.261 619 Q HN 0.821 nan 8.270 nan 0.000 0.444 620 N N 1.340 120.059 118.700 0.032 0.000 2.727 620 N HA -0.237 4.503 4.740 0.000 0.000 0.249 620 N C 0.661 176.195 175.510 0.040 0.000 1.048 620 N CA 1.263 54.319 53.050 0.010 0.000 0.714 620 N CB -1.039 37.449 38.487 0.001 0.000 0.959 620 N HN 1.110 nan 8.380 nan 0.000 0.544 621 G N -1.812 107.044 108.800 0.093 0.000 2.175 621 G HA2 -0.341 3.619 3.960 0.000 0.000 0.265 621 G HA3 -0.341 3.619 3.960 0.000 0.000 0.265 621 G C 0.108 175.198 174.900 0.316 0.000 0.979 621 G CA 1.100 46.343 45.100 0.239 0.000 0.663 621 G HN 0.393 nan 8.290 nan 0.000 0.533 622 M N -0.586 119.119 119.600 0.174 0.000 2.644 622 M HA 0.724 5.204 4.480 0.000 0.000 0.304 622 M C -0.366 175.973 176.300 0.065 0.000 1.215 622 M CA -1.180 54.198 55.300 0.130 0.000 0.871 622 M CB 2.010 34.678 32.600 0.112 0.000 1.740 622 M HN 0.011 nan 8.290 nan 0.000 0.464 623 V N 1.133 121.057 119.914 0.017 0.000 2.482 623 V HA 0.399 4.519 4.120 0.000 0.000 0.295 623 V C -0.433 175.605 176.094 -0.094 0.000 1.026 623 V CA -0.519 61.760 62.300 -0.035 0.000 0.856 623 V CB 1.980 33.758 31.823 -0.074 0.000 1.001 623 V HN 0.914 nan 8.190 nan 0.000 0.424 624 T N 4.784 119.286 114.554 -0.087 0.000 2.733 624 T HA 0.567 4.917 4.350 0.000 0.000 0.294 624 T C -0.513 174.052 174.700 -0.224 0.000 0.956 624 T CA -0.169 61.876 62.100 -0.091 0.000 0.987 624 T CB 1.361 70.225 68.868 -0.007 0.000 0.920 624 T HN 0.492 nan 8.240 nan 0.000 0.470 625 V N 2.794 122.569 119.914 -0.231 0.000 2.760 625 V HA 0.811 4.931 4.120 0.000 0.000 0.309 625 V C -0.970 175.087 176.094 -0.060 0.000 1.077 625 V CA -0.957 61.173 62.300 -0.283 0.000 0.910 625 V CB 1.798 33.317 31.823 -0.507 0.000 1.008 625 V HN 0.990 nan 8.190 nan 0.000 0.424 626 A N 6.263 129.098 122.820 0.026 0.000 2.279 626 A HA 0.707 5.027 4.320 0.000 0.000 0.306 626 A C -0.529 177.120 177.584 0.108 0.000 1.300 626 A CA -0.330 51.750 52.037 0.072 0.000 0.925 626 A CB 0.530 19.577 19.000 0.079 0.000 1.152 626 A HN 1.079 nan 8.150 nan 0.000 0.544 627 V N 4.351 124.334 119.914 0.115 0.000 2.394 627 V HA 0.164 4.284 4.120 0.000 0.000 0.282 627 V C 0.159 176.347 176.094 0.157 0.000 1.031 627 V CA -0.871 61.526 62.300 0.161 0.000 0.881 627 V CB 1.267 33.185 31.823 0.158 0.000 0.982 627 V HN 0.875 nan 8.190 nan 0.000 0.451 628 D N 3.188 123.708 120.400 0.201 0.000 2.400 628 D HA 0.144 4.784 4.640 0.000 0.000 0.238 628 D C 0.650 177.012 176.300 0.103 0.000 1.157 628 D CA 0.363 54.426 54.000 0.105 0.000 0.889 628 D CB 1.326 42.178 40.800 0.087 0.000 1.199 628 D HN 0.716 nan 8.370 nan 0.000 0.436 629 G N -0.341 108.419 108.800 -0.067 0.000 2.432 629 G HA2 -0.035 3.925 3.960 0.000 0.000 0.239 629 G HA3 -0.035 3.925 3.960 0.000 0.000 0.239 629 G C -0.022 174.903 174.900 0.043 0.000 1.291 629 G CA 0.038 45.069 45.100 -0.114 0.000 0.863 629 G HN 0.800 nan 8.290 nan 0.000 0.560 630 H N -0.897 118.244 119.070 0.117 0.000 2.692 630 H HA -0.214 4.342 4.556 0.000 0.000 0.316 630 H C -0.305 175.349 175.328 0.544 0.000 1.176 630 H CA 1.154 57.340 56.048 0.229 0.000 1.142 630 H CB -1.409 28.466 29.762 0.189 0.000 1.475 630 H HN 0.656 nan 8.280 nan 0.000 0.423 631 Y N -1.549 118.982 120.300 0.384 0.000 2.744 631 Y HA 0.600 5.150 4.550 0.000 0.000 0.330 631 Y C 0.229 176.304 175.900 0.292 0.000 1.263 631 Y CA -0.483 57.863 58.100 0.410 0.000 1.065 631 Y CB 2.177 40.905 38.460 0.447 0.000 1.306 631 Y HN 0.181 nan 8.280 nan 0.000 0.459 632 G N 0.350 109.133 108.800 -0.028 0.000 2.695 632 G HA2 0.683 4.643 3.960 0.000 0.000 0.290 632 G HA3 0.683 4.643 3.960 0.000 0.000 0.290 632 G C -2.194 172.656 174.900 -0.083 0.000 1.410 632 G CA -0.420 44.688 45.100 0.013 0.000 0.844 632 G HN 0.769 nan 8.290 nan 0.000 0.478 633 A N -0.584 122.225 122.820 -0.020 0.000 2.365 633 A HA 0.759 5.079 4.320 0.000 0.000 0.318 633 A C -1.011 176.538 177.584 -0.058 0.000 1.091 633 A CA -0.641 51.384 52.037 -0.021 0.000 0.763 633 A CB 2.100 21.103 19.000 0.005 0.000 1.248 633 A HN 1.266 nan 8.150 nan 0.000 0.442 634 V N 3.583 123.470 119.914 -0.045 0.000 2.289 634 V HA 0.229 4.349 4.120 0.000 0.000 0.272 634 V C -0.555 175.504 176.094 -0.059 0.000 1.026 634 V CA -0.030 62.226 62.300 -0.073 0.000 0.807 634 V CB 0.567 32.362 31.823 -0.047 0.000 1.044 634 V HN 0.713 nan 8.190 nan 0.000 0.443 635 L N 4.500 125.674 121.223 -0.082 0.000 2.363 635 L HA 0.699 5.039 4.340 0.000 0.000 0.286 635 L C 0.628 177.439 176.870 -0.097 0.000 1.106 635 L CA 0.208 55.019 54.840 -0.049 0.000 0.859 635 L CB 0.570 42.592 42.059 -0.062 0.000 1.223 635 L HN 0.643 nan 8.230 nan 0.000 0.446 636 A N 4.533 127.297 122.820 -0.093 0.000 2.356 636 A HA 0.854 5.174 4.320 0.000 0.000 0.323 636 A C -0.569 176.973 177.584 -0.071 0.000 1.119 636 A CA -0.463 51.464 52.037 -0.184 0.000 0.790 636 A CB 1.786 20.523 19.000 -0.438 0.000 1.273 636 A HN 0.729 nan 8.150 nan 0.000 0.452 637 Q N 0.000 119.758 119.800 -0.070 0.000 2.315 637 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 637 Q CA 0.000 55.814 55.803 0.018 0.000 1.022 637 Q CB 0.000 28.750 28.738 0.021 0.000 1.108 637 Q HN 0.000 nan 8.270 nan 0.000 0.481