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 1gz4_1_B DATA FIRST_RESID 23 DATA SEQUENCE EKGKPLXLNP RTNKGXAFTL QERQXLGLQG LLPPKIETQD IQALRFHRNL DATA SEQUENCE KKXTSPLEKY IYIXGIQERN EKLFYRILQD DIESLXPIVY TPTVGLACSQ DATA SEQUENCE YGHIFRRPKG LFISISDRGH VRSIVDNWPE NHVKAVVVTD GERILGLGDL DATA SEQUENCE GVYGXGIPVG KLCLYTACAG IRPDRCLPVC IDVGTDNIAL LKDPFYXGLY DATA SEQUENCE QKRDRTQQYD DLIDEFXKAI TDRYGRNTLI QFEDFGNHNA FRFLRKYREK DATA SEQUENCE YCTFNDDIQG TAAVALAGLL AAQKVISKPI SEHKILFLGA GEAALGIANL DATA SEQUENCE IVXSXVENGL SEQEAQKKIW XFDKYGLLVK GRKAKIDSYQ EPFTHSAPES DATA SEQUENCE IPDTFEDAVN ILKPSTIIGV AGAGRLFTPD VIRAXASINE RPVIFALSNP DATA SEQUENCE TAQAECTAEE AYTLTEGRCL FASGSPFGPV KLTDGRVFTP GQGNNVYIFP DATA SEQUENCE GVALAVILCN TRHISDSVFL EAAKALTSQL TDEELAQGRL YPPLANIQEV DATA SEQUENCE SINIAIKVTE YLYANKXAFR YPEPEDKAKY VKERTWRSEY DSLLPDVYEW DATA SEQUENCE P 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 23 E HA 0.000 nan 4.350 nan 0.000 0.291 23 E C 0.000 176.592 176.600 -0.013 0.000 1.382 23 E CA 0.000 56.397 56.400 -0.006 0.000 0.976 23 E CB 0.000 29.698 29.700 -0.004 0.000 0.812 24 K N 0.037 120.420 120.400 -0.028 0.000 2.536 24 K HA 0.662 4.981 4.320 -0.002 0.000 0.269 24 K C 0.032 176.595 176.600 -0.062 0.000 0.965 24 K CA 0.271 56.529 56.287 -0.048 0.000 0.860 24 K CB 1.859 34.332 32.500 -0.044 0.000 1.423 24 K HN 0.710 nan 8.250 nan 0.000 0.438 25 G N 2.395 111.138 108.800 -0.094 0.000 2.632 25 G HA2 -0.295 3.664 3.960 -0.002 0.000 0.224 25 G HA3 -0.295 3.664 3.960 -0.002 0.000 0.224 25 G C 0.273 175.117 174.900 -0.094 0.000 1.341 25 G CA 0.335 45.378 45.100 -0.096 0.000 0.880 25 G HN 0.742 nan 8.290 nan 0.000 0.566 26 K N 0.949 121.305 120.400 -0.073 0.000 2.144 26 K HA -0.105 4.214 4.320 -0.002 0.000 0.209 26 K C 0.189 176.767 176.600 -0.035 0.000 1.047 26 K CA 2.921 59.175 56.287 -0.055 0.000 0.927 26 K CB -1.271 31.205 32.500 -0.039 0.000 0.716 26 K HN 0.334 nan 8.250 nan 0.000 0.454 27 P HA -0.143 nan 4.420 nan 0.000 0.217 27 P C 0.250 177.550 177.300 0.001 0.000 1.148 27 P CA 0.888 63.977 63.100 -0.017 0.000 0.828 27 P CB 0.060 31.748 31.700 -0.020 0.000 0.783 31 N N 3.016 121.725 118.700 0.015 0.000 2.439 31 N HA 0.222 4.961 4.740 -0.002 0.000 0.249 31 N C -1.704 173.819 175.510 0.021 0.000 1.003 31 N CA -1.799 51.253 53.050 0.003 0.000 0.942 31 N CB 1.829 40.320 38.487 0.006 0.000 1.115 31 N HN -0.047 nan 8.380 nan 0.000 0.505 32 P HA -0.158 nan 4.420 nan 0.000 0.219 32 P C 1.085 178.410 177.300 0.041 0.000 1.146 32 P CA 0.844 63.946 63.100 0.003 0.000 0.808 32 P CB 0.598 32.271 31.700 -0.046 0.000 0.779 33 R N 0.762 121.286 120.500 0.039 0.000 2.092 33 R HA -0.079 4.260 4.340 -0.002 0.000 0.231 33 R C 2.212 178.578 176.300 0.110 0.000 1.119 33 R CA 2.409 58.554 56.100 0.075 0.000 0.970 33 R CB -1.225 29.099 30.300 0.040 0.000 0.864 33 R HN 0.297 nan 8.270 nan 0.000 0.440 34 T N -3.252 111.359 114.554 0.095 0.000 3.000 34 T HA 0.125 4.474 4.350 -0.002 0.000 0.248 34 T C 0.623 175.381 174.700 0.096 0.000 1.034 34 T CA -0.213 61.957 62.100 0.117 0.000 1.060 34 T CB -0.359 68.595 68.868 0.142 0.000 0.983 34 T HN 0.081 nan 8.240 nan 0.000 0.482 35 N N 2.082 120.842 118.700 0.099 0.000 2.411 35 N HA 0.066 4.806 4.740 -0.002 0.000 0.261 35 N C 0.447 175.841 175.510 -0.193 0.000 1.248 35 N CA 0.352 53.442 53.050 0.065 0.000 0.885 35 N CB 0.597 39.140 38.487 0.093 0.000 1.062 35 N HN 0.378 nan 8.380 nan 0.000 0.471 36 K N 2.187 122.162 120.400 -0.707 0.000 2.374 36 K HA 0.232 4.551 4.320 -0.002 0.000 0.202 36 K C 0.757 177.057 176.600 -0.501 0.000 1.040 36 K CA 0.130 55.869 56.287 -0.915 0.000 1.085 36 K CB 0.251 31.711 32.500 -1.734 0.000 0.873 36 K HN 0.804 nan 8.250 nan 0.000 0.539 40 F N 3.125 122.956 119.950 -0.198 0.000 2.578 40 F HA 0.312 4.839 4.527 -0.001 0.000 0.381 40 F C 1.725 177.469 175.800 -0.094 0.000 1.069 40 F CA 1.364 59.273 58.000 -0.152 0.000 1.231 40 F CB 0.905 39.839 39.000 -0.110 0.000 1.086 40 F HN 0.297 nan 8.300 nan 0.000 0.564 41 T N 1.897 116.525 114.554 0.123 0.000 2.813 41 T HA 0.084 4.433 4.350 -0.002 0.000 0.297 41 T C 1.070 175.804 174.700 0.056 0.000 1.036 41 T CA -0.954 61.184 62.100 0.064 0.000 1.044 41 T CB 1.016 69.909 68.868 0.042 0.000 0.993 41 T HN 0.572 nan 8.240 nan 0.000 0.535 42 L N 0.842 122.084 121.223 0.031 0.000 1.990 42 L HA -0.118 4.221 4.340 -0.002 0.000 0.213 42 L C 2.880 179.752 176.870 0.004 0.000 1.072 42 L CA 2.018 56.866 54.840 0.013 0.000 0.755 42 L CB -1.184 40.880 42.059 0.009 0.000 0.889 42 L HN 0.944 nan 8.230 nan 0.000 0.432 43 Q N -0.897 118.908 119.800 0.009 0.000 2.124 43 Q HA -0.233 4.107 4.340 -0.002 0.000 0.202 43 Q C 2.089 178.089 176.000 -0.001 0.000 0.977 43 Q CA 1.960 57.765 55.803 0.003 0.000 0.850 43 Q CB -0.025 28.719 28.738 0.010 0.000 0.901 43 Q HN 0.665 nan 8.270 nan 0.000 0.429 44 E N -0.271 119.941 120.200 0.019 0.000 2.072 44 E HA -0.177 4.172 4.350 -0.002 0.000 0.191 44 E C 2.080 178.641 176.600 -0.066 0.000 0.985 44 E CA 0.816 57.227 56.400 0.018 0.000 0.801 44 E CB 0.039 29.813 29.700 0.123 0.000 0.750 44 E HN 0.300 nan 8.360 nan 0.000 0.452 45 R N 1.066 121.520 120.500 -0.077 0.000 2.073 45 R HA -0.076 4.263 4.340 -0.002 0.000 0.234 45 R C 1.361 177.595 176.300 -0.111 0.000 1.134 45 R CA 0.830 56.842 56.100 -0.146 0.000 0.952 45 R CB -0.289 29.953 30.300 -0.096 0.000 0.850 45 R HN 0.239 nan 8.270 nan 0.000 0.433 49 G N 1.438 110.169 108.800 -0.115 0.000 2.225 49 G HA2 -0.261 3.698 3.960 -0.002 0.000 0.264 49 G HA3 -0.261 3.698 3.960 -0.002 0.000 0.264 49 G C 0.382 175.201 174.900 -0.135 0.000 1.060 49 G CA 0.639 45.675 45.100 -0.106 0.000 0.833 49 G HN 0.330 nan 8.290 nan 0.000 0.498 50 L N -1.037 120.081 121.223 -0.176 0.000 2.638 50 L HA 0.249 4.588 4.340 -0.002 0.000 0.232 50 L C 1.326 178.114 176.870 -0.136 0.000 1.099 50 L CA -0.374 54.343 54.840 -0.206 0.000 0.883 50 L CB -0.038 41.790 42.059 -0.385 0.000 1.136 50 L HN 0.170 nan 8.230 nan 0.000 0.492 51 Q N 1.536 121.274 119.800 -0.104 0.000 2.262 51 Q HA 0.056 4.395 4.340 -0.002 0.000 0.298 51 Q C 1.220 177.188 176.000 -0.054 0.000 1.083 51 Q CA 1.423 57.186 55.803 -0.068 0.000 0.962 51 Q CB 0.619 29.325 28.738 -0.054 0.000 1.104 51 Q HN 0.497 nan 8.270 nan 0.000 0.376 52 G N 2.594 111.370 108.800 -0.041 0.000 2.234 52 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.235 52 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.235 52 G C 0.657 175.539 174.900 -0.031 0.000 0.997 52 G CA 0.231 45.312 45.100 -0.031 0.000 0.623 52 G HN 0.550 nan 8.290 nan 0.000 0.514 53 L N 0.258 121.455 121.223 -0.043 0.000 2.558 53 L HA 0.483 4.822 4.340 -0.002 0.000 0.225 53 L C 0.946 177.803 176.870 -0.021 0.000 1.128 53 L CA 0.366 55.183 54.840 -0.038 0.000 0.868 53 L CB 0.038 42.061 42.059 -0.060 0.000 1.006 53 L HN 0.194 nan 8.230 nan 0.000 0.454 54 L N -0.970 120.244 121.223 -0.016 0.000 2.354 54 L HA 0.498 4.837 4.340 -0.002 0.000 0.264 54 L C -2.246 174.630 176.870 0.010 0.000 1.008 54 L CA -1.948 52.898 54.840 0.011 0.000 0.819 54 L CB 1.835 43.912 42.059 0.030 0.000 1.339 54 L HN -0.238 nan 8.230 nan 0.000 0.420 55 P HA 0.121 nan 4.420 nan 0.000 0.270 55 P C -2.104 175.205 177.300 0.015 0.000 1.223 55 P CA -0.839 62.270 63.100 0.015 0.000 0.785 55 P CB 0.079 31.791 31.700 0.020 0.000 0.923 56 P HA -0.153 nan 4.420 nan 0.000 0.217 56 P C 0.109 177.418 177.300 0.014 0.000 1.148 56 P CA 1.300 64.405 63.100 0.009 0.000 0.828 56 P CB 0.003 31.707 31.700 0.006 0.000 0.783 57 K N 0.956 121.367 120.400 0.018 0.000 2.484 57 K HA 0.037 4.356 4.320 -0.002 0.000 0.280 57 K C -0.277 176.338 176.600 0.026 0.000 1.013 57 K CA 0.516 56.815 56.287 0.021 0.000 1.029 57 K CB -0.278 32.236 32.500 0.022 0.000 0.902 57 K HN -0.103 nan 8.250 nan 0.000 0.481 58 I N 4.765 125.349 120.570 0.024 0.000 2.330 58 I HA 0.234 4.403 4.170 -0.002 0.000 0.289 58 I C 0.346 176.479 176.117 0.026 0.000 1.001 58 I CA -0.293 61.023 61.300 0.026 0.000 1.193 58 I CB 1.044 39.058 38.000 0.024 0.000 1.345 58 I HN 0.777 nan 8.210 nan 0.000 0.461 59 E N 3.730 123.945 120.200 0.025 0.000 2.259 59 E HA 0.577 4.926 4.350 -0.002 0.000 0.257 59 E C -0.144 176.481 176.600 0.043 0.000 0.998 59 E CA -0.682 55.739 56.400 0.035 0.000 0.866 59 E CB 1.901 31.626 29.700 0.043 0.000 1.220 59 E HN 0.628 nan 8.360 nan 0.000 0.415 60 T N -2.586 112.006 114.554 0.063 0.000 2.950 60 T HA 0.140 4.489 4.350 -0.002 0.000 0.288 60 T C 0.833 175.611 174.700 0.130 0.000 1.035 60 T CA -0.755 61.399 62.100 0.091 0.000 1.028 60 T CB 1.768 70.674 68.868 0.063 0.000 1.109 60 T HN 0.473 nan 8.240 nan 0.000 0.514 61 Q N -0.162 119.742 119.800 0.172 0.000 2.170 61 Q HA -0.173 4.166 4.340 -0.002 0.000 0.203 61 Q C 1.167 177.189 176.000 0.036 0.000 0.976 61 Q CA 1.704 57.570 55.803 0.106 0.000 0.858 61 Q CB -0.147 28.512 28.738 -0.131 0.000 0.907 61 Q HN 0.702 nan 8.270 nan 0.000 0.433 62 D N 0.303 120.725 120.400 0.036 0.000 2.123 62 D HA -0.165 4.474 4.640 -0.002 0.000 0.196 62 D C 1.772 178.109 176.300 0.061 0.000 0.992 62 D CA 1.087 55.111 54.000 0.040 0.000 0.833 62 D CB -0.161 40.660 40.800 0.034 0.000 0.954 62 D HN 0.342 nan 8.370 nan 0.000 0.455 63 I N 0.640 121.247 120.570 0.062 0.000 2.252 63 I HA -0.265 3.904 4.170 -0.002 0.000 0.245 63 I C 2.413 178.575 176.117 0.075 0.000 1.102 63 I CA 0.988 62.327 61.300 0.065 0.000 1.385 63 I CB -0.191 37.843 38.000 0.057 0.000 1.064 63 I HN -0.007 nan 8.210 nan 0.000 0.414 64 Q N 0.583 120.428 119.800 0.076 0.000 2.084 64 Q HA -0.176 4.163 4.340 -0.002 0.000 0.202 64 Q C 2.489 178.532 176.000 0.072 0.000 0.978 64 Q CA 1.708 57.558 55.803 0.078 0.000 0.844 64 Q CB -0.290 28.500 28.738 0.087 0.000 0.898 64 Q HN 0.578 nan 8.270 nan 0.000 0.426 65 A N 0.833 123.683 122.820 0.050 0.000 1.933 65 A HA -0.162 4.157 4.320 -0.002 0.000 0.218 65 A C 2.045 179.696 177.584 0.111 0.000 1.175 65 A CA 1.031 53.087 52.037 0.032 0.000 0.628 65 A CB -0.642 18.394 19.000 0.060 0.000 0.814 65 A HN 0.305 nan 8.150 nan 0.000 0.444 66 L N -1.112 120.202 121.223 0.153 0.000 2.046 66 L HA -0.183 4.156 4.340 -0.002 0.000 0.208 66 L C 2.821 179.770 176.870 0.131 0.000 1.077 66 L CA 1.689 56.634 54.840 0.176 0.000 0.747 66 L CB -0.381 41.748 42.059 0.117 0.000 0.896 66 L HN 0.509 nan 8.230 nan 0.000 0.432 67 R N -0.248 120.319 120.500 0.111 0.000 2.091 67 R HA -0.255 4.084 4.340 -0.002 0.000 0.238 67 R C 2.399 178.773 176.300 0.123 0.000 1.136 67 R CA 1.971 58.133 56.100 0.104 0.000 0.959 67 R CB -0.439 29.926 30.300 0.109 0.000 0.856 67 R HN 0.250 nan 8.270 nan 0.000 0.437 68 F N 0.961 120.914 119.950 0.004 0.000 2.075 68 F HA -0.194 4.332 4.527 -0.002 0.000 0.297 68 F C 1.813 177.630 175.800 0.027 0.000 1.113 68 F CA 2.186 60.188 58.000 0.003 0.000 1.218 68 F CB -0.590 38.274 39.000 -0.226 0.000 0.984 68 F HN 0.150 nan 8.300 nan 0.000 0.472 69 H N -0.840 118.134 119.070 -0.160 0.000 2.422 69 H HA -0.106 4.450 4.556 -0.001 0.000 0.298 69 H C 2.283 177.490 175.328 -0.202 0.000 1.098 69 H CA 1.427 57.321 56.048 -0.257 0.000 1.315 69 H CB -0.119 29.634 29.762 -0.016 0.000 1.382 69 H HN 0.112 nan 8.280 nan 0.000 0.523 70 R N 0.518 121.020 120.500 0.003 0.000 2.073 70 R HA -0.086 4.253 4.340 -0.002 0.000 0.234 70 R C 2.040 178.297 176.300 -0.072 0.000 1.134 70 R CA 1.351 57.442 56.100 -0.016 0.000 0.952 70 R CB -0.073 30.232 30.300 0.008 0.000 0.850 70 R HN 0.365 nan 8.270 nan 0.000 0.433 71 N N 0.193 118.831 118.700 -0.104 0.000 2.106 71 N HA -0.156 4.583 4.740 -0.002 0.000 0.188 71 N C 1.668 177.062 175.510 -0.194 0.000 1.029 71 N CA 0.947 53.902 53.050 -0.158 0.000 0.848 71 N CB -0.350 38.015 38.487 -0.203 0.000 1.007 71 N HN 0.089 nan 8.380 nan 0.000 0.423 72 L N 2.112 123.184 121.223 -0.251 0.000 2.043 72 L HA -0.152 4.187 4.340 -0.002 0.000 0.212 72 L C 1.945 178.750 176.870 -0.109 0.000 1.075 72 L CA 1.729 56.442 54.840 -0.212 0.000 0.752 72 L CB -0.299 41.465 42.059 -0.491 0.000 0.891 72 L HN 0.050 nan 8.230 nan 0.000 0.432 73 K N -0.456 119.886 120.400 -0.097 0.000 2.209 73 K HA -0.127 4.192 4.320 -0.002 0.000 0.204 73 K C 0.745 177.319 176.600 -0.044 0.000 1.048 73 K CA 0.890 57.148 56.287 -0.049 0.000 0.940 73 K CB -0.064 32.415 32.500 -0.036 0.000 0.729 73 K HN 0.417 nan 8.250 nan 0.000 0.451 77 S N 2.753 118.470 115.700 0.029 0.000 2.592 77 S HA 0.391 4.860 4.470 -0.002 0.000 0.271 77 S C -2.185 172.451 174.600 0.060 0.000 1.326 77 S CA -0.858 57.365 58.200 0.038 0.000 1.024 77 S CB 1.203 64.422 63.200 0.032 0.000 0.921 77 S HN 0.081 nan 8.310 nan 0.000 0.527 78 P HA -0.010 nan 4.420 nan 0.000 0.219 78 P C 1.475 178.849 177.300 0.123 0.000 1.150 78 P CA 0.248 63.400 63.100 0.087 0.000 0.814 78 P CB 0.035 31.770 31.700 0.058 0.000 0.787 79 L N 0.279 121.554 121.223 0.087 0.000 2.093 79 L HA -0.097 4.242 4.340 -0.002 0.000 0.208 79 L C 2.199 179.173 176.870 0.172 0.000 1.085 79 L CA 1.863 56.766 54.840 0.106 0.000 0.755 79 L CB -1.153 40.928 42.059 0.036 0.000 0.904 79 L HN -0.068 nan 8.230 nan 0.000 0.435 80 E N -0.462 119.812 120.200 0.122 0.000 2.110 80 E HA -0.248 4.101 4.350 -0.002 0.000 0.193 80 E C 1.953 178.658 176.600 0.175 0.000 0.988 80 E CA 1.150 57.620 56.400 0.117 0.000 0.804 80 E CB 0.044 29.781 29.700 0.062 0.000 0.745 80 E HN 0.540 nan 8.360 nan 0.000 0.458 81 K N -0.505 120.011 120.400 0.193 0.000 2.217 81 K HA -0.145 4.174 4.320 -0.002 0.000 0.202 81 K C 2.029 178.793 176.600 0.274 0.000 1.051 81 K CA 1.025 57.463 56.287 0.253 0.000 0.952 81 K CB -0.221 32.403 32.500 0.207 0.000 0.736 81 K HN 0.226 nan 8.250 nan 0.000 0.453 82 Y N 1.782 122.163 120.300 0.135 0.000 2.163 82 Y HA -0.147 4.402 4.550 -0.001 0.000 0.288 82 Y C 1.845 177.810 175.900 0.109 0.000 1.136 82 Y CA 1.274 59.444 58.100 0.117 0.000 1.147 82 Y CB -0.121 38.393 38.460 0.090 0.000 0.987 82 Y HN -0.116 nan 8.280 nan 0.000 0.509 83 I N -0.603 120.091 120.570 0.207 0.000 2.208 83 I HA -0.334 3.835 4.170 -0.002 0.000 0.245 83 I C 2.177 178.331 176.117 0.061 0.000 1.097 83 I CA 1.711 63.063 61.300 0.086 0.000 1.363 83 I CB -0.607 37.474 38.000 0.136 0.000 1.051 83 I HN 0.331 nan 8.210 nan 0.000 0.413 84 Y N 2.403 122.707 120.300 0.005 0.000 2.133 84 Y HA -0.096 4.453 4.550 -0.002 0.000 0.287 84 Y C 1.523 177.449 175.900 0.043 0.000 1.134 84 Y CA 0.326 58.447 58.100 0.035 0.000 1.133 84 Y CB -0.581 37.931 38.460 0.088 0.000 0.987 84 Y HN 0.133 nan 8.280 nan 0.000 0.502 88 I N 1.403 121.833 120.570 -0.233 0.000 2.394 88 I HA -0.153 4.017 4.170 -0.002 0.000 0.251 88 I C 2.636 178.589 176.117 -0.274 0.000 1.136 88 I CA 1.694 62.875 61.300 -0.199 0.000 1.425 88 I CB -0.043 37.836 38.000 -0.203 0.000 1.079 88 I HN 0.303 nan 8.210 nan 0.000 0.425 89 Q N 1.070 120.505 119.800 -0.608 0.000 2.291 89 Q HA -0.207 4.133 4.340 -0.002 0.000 0.206 89 Q C 1.480 177.221 176.000 -0.431 0.000 0.976 89 Q CA 1.244 56.514 55.803 -0.887 0.000 0.875 89 Q CB 0.193 27.953 28.738 -1.631 0.000 0.927 89 Q HN 0.413 nan 8.270 nan 0.000 0.450 90 E N -0.265 119.743 120.200 -0.321 0.000 2.479 90 E HA 0.037 4.386 4.350 -0.002 0.000 0.193 90 E C 1.109 177.632 176.600 -0.128 0.000 1.049 90 E CA 0.195 56.474 56.400 -0.202 0.000 0.870 90 E CB 0.434 30.019 29.700 -0.192 0.000 0.944 90 E HN 0.385 nan 8.360 nan 0.000 0.492 91 R N -0.265 120.167 120.500 -0.113 0.000 2.243 91 R HA 0.151 4.490 4.340 -0.002 0.000 0.193 91 R C 0.565 176.853 176.300 -0.019 0.000 0.933 91 R CA 0.069 56.137 56.100 -0.052 0.000 1.105 91 R CB 0.520 30.798 30.300 -0.036 0.000 1.169 91 R HN -0.137 nan 8.270 nan 0.000 0.599 92 N N 1.199 119.887 118.700 -0.020 0.000 2.685 92 N HA -0.002 4.737 4.740 -0.002 0.000 0.252 92 N C -0.131 175.420 175.510 0.067 0.000 1.261 92 N CA 0.036 53.109 53.050 0.039 0.000 0.768 92 N CB 1.361 39.881 38.487 0.055 0.000 1.304 92 N HN 0.104 nan 8.380 nan 0.000 0.536 93 E N 1.962 122.216 120.200 0.090 0.000 2.070 93 E HA -0.255 4.094 4.350 -0.002 0.000 0.197 93 E C 0.965 177.778 176.600 0.354 0.000 1.004 93 E CA 1.548 58.052 56.400 0.174 0.000 0.805 93 E CB 0.342 30.155 29.700 0.188 0.000 0.744 93 E HN 0.325 nan 8.360 nan 0.000 0.451 94 K N 0.157 120.761 120.400 0.340 0.000 2.026 94 K HA -0.149 4.170 4.320 -0.002 0.000 0.208 94 K C 2.048 178.698 176.600 0.082 0.000 1.048 94 K CA 1.117 57.578 56.287 0.289 0.000 0.929 94 K CB -0.433 32.142 32.500 0.125 0.000 0.713 94 K HN 0.166 nan 8.250 nan 0.000 0.439 95 L N 0.122 121.364 121.223 0.032 0.000 2.083 95 L HA -0.072 4.267 4.340 -0.002 0.000 0.209 95 L C 1.917 178.712 176.870 -0.126 0.000 1.083 95 L CA 1.530 56.325 54.840 -0.074 0.000 0.752 95 L CB -0.662 41.388 42.059 -0.016 0.000 0.899 95 L HN 0.239 nan 8.230 nan 0.000 0.433 96 F N -0.480 119.322 119.950 -0.246 0.000 2.095 96 F HA -0.287 4.239 4.527 -0.001 0.000 0.298 96 F C 2.034 177.567 175.800 -0.445 0.000 1.104 96 F CA 1.897 59.636 58.000 -0.436 0.000 1.232 96 F CB -0.693 37.997 39.000 -0.517 0.000 0.987 96 F HN 0.156 nan 8.300 nan 0.000 0.475 97 Y N -0.311 119.910 120.300 -0.132 0.000 2.373 97 Y HA -0.120 4.429 4.550 -0.002 0.000 0.293 97 Y C 2.526 178.308 175.900 -0.197 0.000 1.129 97 Y CA 1.069 59.057 58.100 -0.187 0.000 1.226 97 Y CB -0.413 38.170 38.460 0.206 0.000 1.000 97 Y HN 0.026 nan 8.280 nan 0.000 0.549 98 R N 1.026 121.481 120.500 -0.076 0.000 2.075 98 R HA -0.112 4.227 4.340 -0.002 0.000 0.232 98 R C 1.753 177.946 176.300 -0.179 0.000 1.126 98 R CA 1.598 57.619 56.100 -0.131 0.000 0.963 98 R CB -1.010 29.179 30.300 -0.185 0.000 0.858 98 R HN 0.377 nan 8.270 nan 0.000 0.435 99 I N 0.089 120.464 120.570 -0.325 0.000 2.286 99 I HA -0.221 3.948 4.170 -0.002 0.000 0.248 99 I C 1.504 177.433 176.117 -0.314 0.000 1.115 99 I CA 0.675 61.723 61.300 -0.421 0.000 1.392 99 I CB -0.124 37.325 38.000 -0.919 0.000 1.065 99 I HN 0.171 nan 8.210 nan 0.000 0.418 100 L N 0.045 121.021 121.223 -0.412 0.000 2.056 100 L HA -0.240 4.099 4.340 -0.002 0.000 0.207 100 L C 2.490 179.283 176.870 -0.128 0.000 1.078 100 L CA 1.751 56.408 54.840 -0.304 0.000 0.749 100 L CB -1.072 40.736 42.059 -0.417 0.000 0.901 100 L HN 0.320 nan 8.230 nan 0.000 0.433 101 Q N -0.767 118.975 119.800 -0.095 0.000 2.226 101 Q HA -0.224 4.115 4.340 -0.002 0.000 0.204 101 Q C 1.491 177.480 176.000 -0.018 0.000 0.975 101 Q CA 1.480 57.257 55.803 -0.043 0.000 0.866 101 Q CB 0.078 28.797 28.738 -0.032 0.000 0.915 101 Q HN 0.440 nan 8.270 nan 0.000 0.440 102 D N 0.527 120.932 120.400 0.008 0.000 2.144 102 D HA -0.104 4.536 4.640 -0.002 0.000 0.199 102 D C 0.096 176.424 176.300 0.047 0.000 0.984 102 D CA 1.290 55.330 54.000 0.065 0.000 0.834 102 D CB 0.119 41.054 40.800 0.225 0.000 0.955 102 D HN 0.230 nan 8.370 nan 0.000 0.465 103 D N -1.117 119.316 120.400 0.055 0.000 3.250 103 D HA 0.009 4.648 4.640 -0.002 0.000 0.252 103 D C 0.706 177.022 176.300 0.027 0.000 1.342 103 D CA -0.343 53.679 54.000 0.037 0.000 0.807 103 D CB -0.360 40.469 40.800 0.049 0.000 1.449 103 D HN -0.151 nan 8.370 nan 0.000 0.610 104 I N 1.167 121.734 120.570 -0.005 0.000 2.315 104 I HA -0.145 4.024 4.170 -0.002 0.000 0.251 104 I C 1.833 177.944 176.117 -0.009 0.000 1.125 104 I CA 1.757 63.042 61.300 -0.026 0.000 1.392 104 I CB 0.054 38.023 38.000 -0.052 0.000 1.065 104 I HN 0.433 nan 8.210 nan 0.000 0.424 105 E N -0.254 119.948 120.200 0.003 0.000 2.072 105 E HA -0.220 4.129 4.350 -0.002 0.000 0.191 105 E C 2.264 178.885 176.600 0.035 0.000 0.985 105 E CA 1.483 57.893 56.400 0.017 0.000 0.801 105 E CB -0.139 29.576 29.700 0.025 0.000 0.750 105 E HN 0.679 nan 8.360 nan 0.000 0.452 106 S N -0.290 115.436 115.700 0.043 0.000 2.436 106 S HA 0.031 4.500 4.470 -0.002 0.000 0.228 106 S C 1.166 175.811 174.600 0.075 0.000 1.014 106 S CA -0.022 58.213 58.200 0.058 0.000 0.950 106 S CB -0.111 63.125 63.200 0.061 0.000 0.784 106 S HN 0.087 nan 8.310 nan 0.000 0.504 110 I N -0.515 120.139 120.570 0.141 0.000 2.628 110 I HA -0.014 4.155 4.170 -0.002 0.000 0.255 110 I C 1.857 178.157 176.117 0.305 0.000 1.119 110 I CA 0.940 62.356 61.300 0.193 0.000 1.448 110 I CB -0.237 37.880 38.000 0.195 0.000 1.133 110 I HN -0.222 nan 8.210 nan 0.000 0.438 111 V N -0.652 119.429 119.914 0.278 0.000 2.951 111 V HA -0.067 4.052 4.120 -0.002 0.000 0.255 111 V C 0.829 177.161 176.094 0.396 0.000 1.088 111 V CA 0.977 63.482 62.300 0.342 0.000 1.109 111 V CB -0.552 31.389 31.823 0.197 0.000 0.724 111 V HN 0.319 nan 8.190 nan 0.000 0.471 112 Y N -0.267 120.111 120.300 0.131 0.000 3.224 112 Y HA 0.467 5.016 4.550 -0.002 0.000 0.301 112 Y C 0.812 176.736 175.900 0.039 0.000 1.663 112 Y CA -1.164 56.989 58.100 0.088 0.000 0.995 112 Y CB 0.943 39.446 38.460 0.070 0.000 1.381 112 Y HN -0.143 nan 8.280 nan 0.000 0.643 113 T N 4.190 118.488 114.554 -0.427 0.000 2.916 113 T HA 0.179 4.528 4.350 -0.002 0.000 0.303 113 T C -1.870 172.745 174.700 -0.143 0.000 1.025 113 T CA -1.147 60.748 62.100 -0.341 0.000 1.142 113 T CB 0.581 69.160 68.868 -0.482 0.000 0.947 113 T HN 0.476 nan 8.240 nan 0.000 0.544 114 P HA 0.098 nan 4.420 nan 0.000 0.245 114 P C 1.336 178.571 177.300 -0.110 0.000 1.199 114 P CA 0.352 63.371 63.100 -0.135 0.000 0.807 114 P CB 0.138 31.765 31.700 -0.122 0.000 1.002 115 T N 0.677 115.190 114.554 -0.068 0.000 2.759 115 T HA -0.130 4.220 4.350 -0.002 0.000 0.269 115 T C 1.869 176.459 174.700 -0.182 0.000 1.042 115 T CA 1.295 63.346 62.100 -0.082 0.000 1.140 115 T CB -1.126 67.745 68.868 0.004 0.000 0.864 115 T HN -0.089 nan 8.240 nan 0.000 0.455 116 V N 1.516 121.351 119.914 -0.131 0.000 2.469 116 V HA -0.120 3.999 4.120 -0.002 0.000 0.251 116 V C 2.540 178.517 176.094 -0.195 0.000 1.064 116 V CA 2.296 64.494 62.300 -0.171 0.000 1.066 116 V CB -1.077 30.750 31.823 0.008 0.000 0.667 116 V HN 0.599 nan 8.190 nan 0.000 0.461 117 G N -0.474 108.228 108.800 -0.163 0.000 2.408 117 G HA2 -0.244 3.715 3.960 -0.002 0.000 0.217 117 G HA3 -0.244 3.715 3.960 -0.002 0.000 0.217 117 G C 1.496 176.316 174.900 -0.134 0.000 1.150 117 G CA 1.054 46.071 45.100 -0.139 0.000 0.776 117 G HN 0.510 nan 8.290 nan 0.000 0.542 118 L N 1.339 122.473 121.223 -0.148 0.000 2.056 118 L HA 0.233 4.572 4.340 -0.002 0.000 0.207 118 L C 3.033 179.800 176.870 -0.172 0.000 1.078 118 L CA 1.952 56.711 54.840 -0.135 0.000 0.749 118 L CB -0.779 41.209 42.059 -0.119 0.000 0.901 118 L HN 0.226 nan 8.230 nan 0.000 0.433 119 A N -1.042 121.604 122.820 -0.290 0.000 1.865 119 A HA -0.274 4.046 4.320 -0.002 0.000 0.217 119 A C 2.430 179.956 177.584 -0.097 0.000 1.191 119 A CA 2.013 53.858 52.037 -0.321 0.000 0.623 119 A CB -1.554 16.947 19.000 -0.831 0.000 0.826 119 A HN 0.616 nan 8.150 nan 0.000 0.444 120 C N 0.077 119.294 119.300 -0.138 0.000 2.393 120 C HA -0.151 4.308 4.460 -0.002 0.000 0.276 120 C C 3.385 178.356 174.990 -0.033 0.000 1.215 120 C CA 1.734 60.668 59.018 -0.140 0.000 1.743 120 C CB -1.396 26.253 27.740 -0.152 0.000 2.044 120 C HN 0.813 nan 8.230 nan 0.000 0.464 121 S N -0.417 115.272 115.700 -0.019 0.000 2.465 121 S HA -0.226 4.243 4.470 -0.002 0.000 0.241 121 S C 1.432 176.029 174.600 -0.005 0.000 1.000 121 S CA 1.605 59.838 58.200 0.055 0.000 0.964 121 S CB -0.440 62.759 63.200 -0.001 0.000 0.763 121 S HN 0.828 nan 8.310 nan 0.000 0.512 122 Q N -1.562 118.154 119.800 -0.141 0.000 2.112 122 Q HA 0.302 4.641 4.340 -0.002 0.000 0.222 122 Q C 0.457 176.309 176.000 -0.247 0.000 0.798 122 Q CA -0.485 55.168 55.803 -0.250 0.000 1.060 122 Q CB 0.093 28.705 28.738 -0.211 0.000 1.184 122 Q HN 0.493 nan 8.270 nan 0.000 0.475 123 Y N -0.017 119.931 120.300 -0.587 0.000 2.102 123 Y HA -0.231 4.318 4.550 -0.001 0.000 0.280 123 Y C 2.047 177.754 175.900 -0.322 0.000 1.178 123 Y CA 2.419 60.253 58.100 -0.444 0.000 1.146 123 Y CB -0.317 37.891 38.460 -0.419 0.000 0.968 123 Y HN 0.320 nan 8.280 nan 0.000 0.504 124 G N -2.765 105.741 108.800 -0.489 0.000 2.534 124 G HA2 -0.211 3.748 3.960 -0.002 0.000 0.217 124 G HA3 -0.211 3.748 3.960 -0.002 0.000 0.217 124 G C 1.066 175.995 174.900 0.047 0.000 1.128 124 G CA 0.861 45.996 45.100 0.058 0.000 0.784 124 G HN 0.462 nan 8.290 nan 0.000 0.542 125 H N -0.057 118.906 119.070 -0.178 0.000 2.497 125 H HA 0.150 4.705 4.556 -0.001 0.000 0.282 125 H C 2.373 177.573 175.328 -0.214 0.000 1.003 125 H CA 0.861 56.737 56.048 -0.286 0.000 1.307 125 H CB 0.061 29.724 29.762 -0.166 0.000 1.437 125 H HN 0.548 nan 8.280 nan 0.000 0.544 126 I N -3.149 117.414 120.570 -0.012 0.000 3.956 126 I HA 0.160 4.329 4.170 -0.002 0.000 0.333 126 I C 0.171 176.243 176.117 -0.075 0.000 1.302 126 I CA -0.386 60.892 61.300 -0.036 0.000 1.122 126 I CB -0.121 37.877 38.000 -0.004 0.000 1.013 126 I HN -0.134 nan 8.210 nan 0.000 0.405 127 F N 3.240 123.054 119.950 -0.226 0.000 2.635 127 F HA 0.063 4.589 4.527 -0.002 0.000 0.379 127 F C 1.157 176.864 175.800 -0.156 0.000 1.094 127 F CA 0.816 58.672 58.000 -0.239 0.000 1.300 127 F CB 0.479 39.358 39.000 -0.202 0.000 1.035 127 F HN 0.046 nan 8.300 nan 0.000 0.581 128 R N 3.158 123.045 120.500 -1.021 0.000 2.840 128 R HA 0.312 4.652 4.340 -0.002 0.000 0.173 128 R C -0.305 175.428 176.300 -0.946 0.000 0.791 128 R CA -0.480 55.203 56.100 -0.695 0.000 1.069 128 R CB 0.592 30.675 30.300 -0.360 0.000 1.537 128 R HN 0.501 nan 8.270 nan 0.000 0.609 129 R N 1.295 121.173 120.500 -1.037 0.000 2.698 129 R HA 0.390 4.729 4.340 -0.002 0.000 0.275 129 R C -2.735 173.277 176.300 -0.480 0.000 1.001 129 R CA -1.744 53.981 56.100 -0.625 0.000 0.896 129 R CB 2.557 32.678 30.300 -0.298 0.000 1.218 129 R HN -0.012 nan 8.270 nan 0.000 0.462 130 P HA 0.299 nan 4.420 nan 0.000 0.279 130 P C -1.385 176.048 177.300 0.220 0.000 1.252 130 P CA -0.532 62.746 63.100 0.297 0.000 0.811 130 P CB 1.260 33.231 31.700 0.452 0.000 1.035 131 K N 0.585 121.166 120.400 0.302 0.000 2.468 131 K HA 0.631 4.950 4.320 -0.002 0.000 0.252 131 K C -0.206 176.478 176.600 0.139 0.000 0.932 131 K CA -0.601 55.803 56.287 0.195 0.000 0.794 131 K CB 2.122 34.684 32.500 0.103 0.000 1.241 131 K HN 0.916 nan 8.250 nan 0.000 0.428 132 G N 1.416 110.323 108.800 0.179 0.000 2.757 132 G HA2 -0.204 3.755 3.960 -0.002 0.000 0.638 132 G HA3 -0.204 3.755 3.960 -0.002 0.000 0.638 132 G C -1.217 173.599 174.900 -0.140 0.000 1.344 132 G CA -1.025 43.986 45.100 -0.150 0.000 0.855 132 G HN 0.420 nan 8.290 nan 0.000 0.537 133 L N -0.196 120.773 121.223 -0.422 0.000 2.295 133 L HA 0.678 5.017 4.340 -0.002 0.000 0.285 133 L C -0.413 176.240 176.870 -0.360 0.000 1.035 133 L CA -0.614 54.097 54.840 -0.215 0.000 0.806 133 L CB 1.076 42.986 42.059 -0.250 0.000 1.214 133 L HN 0.439 nan 8.230 nan 0.000 0.426 134 F N 4.608 124.553 119.950 -0.009 0.000 2.426 134 F HA 0.484 5.010 4.527 -0.002 0.000 0.348 134 F C 0.183 175.956 175.800 -0.045 0.000 1.124 134 F CA -0.408 57.566 58.000 -0.043 0.000 1.008 134 F CB 1.322 40.313 39.000 -0.016 0.000 1.139 134 F HN 0.169 nan 8.300 nan 0.000 0.452 135 I N 3.206 123.807 120.570 0.051 0.000 2.410 135 I HA 0.340 4.509 4.170 -0.002 0.000 0.286 135 I C -0.204 175.924 176.117 0.018 0.000 1.009 135 I CA -0.493 60.818 61.300 0.018 0.000 1.111 135 I CB 1.723 39.681 38.000 -0.070 0.000 1.262 135 I HN 0.600 nan 8.210 nan 0.000 0.443 136 S N 5.126 120.853 115.700 0.046 0.000 2.681 136 S HA 0.413 4.882 4.470 -0.002 0.000 0.299 136 S C 0.721 175.353 174.600 0.053 0.000 1.113 136 S CA -0.643 57.582 58.200 0.042 0.000 1.013 136 S CB 2.007 65.226 63.200 0.032 0.000 1.076 136 S HN 0.566 nan 8.310 nan 0.000 0.534 137 I N 1.916 122.525 120.570 0.065 0.000 2.454 137 I HA -0.053 4.116 4.170 -0.002 0.000 0.254 137 I C 2.080 178.242 176.117 0.074 0.000 1.156 137 I CA 1.419 62.767 61.300 0.080 0.000 1.433 137 I CB -0.721 37.339 38.000 0.099 0.000 1.082 137 I HN 0.751 nan 8.210 nan 0.000 0.432 138 S N 0.200 115.939 115.700 0.065 0.000 2.547 138 S HA -0.064 4.405 4.470 -0.002 0.000 0.235 138 S C 1.165 175.820 174.600 0.091 0.000 0.980 138 S CA 0.892 59.133 58.200 0.068 0.000 0.941 138 S CB -0.347 62.882 63.200 0.048 0.000 0.763 138 S HN 0.516 nan 8.310 nan 0.000 0.532 139 D N 1.466 121.923 120.400 0.096 0.000 2.363 139 D HA 0.034 4.673 4.640 -0.002 0.000 0.214 139 D C 0.500 176.888 176.300 0.147 0.000 1.093 139 D CA -0.071 54.013 54.000 0.140 0.000 0.837 139 D CB 0.178 41.044 40.800 0.111 0.000 0.948 139 D HN 0.536 nan 8.370 nan 0.000 0.507 140 R N 0.078 120.636 120.500 0.096 0.000 2.585 140 R HA 0.242 4.581 4.340 -0.002 0.000 0.275 140 R C 0.974 177.254 176.300 -0.033 0.000 1.018 140 R CA 0.866 56.992 56.100 0.044 0.000 1.072 140 R CB 0.029 30.355 30.300 0.044 0.000 0.953 140 R HN -0.004 nan 8.270 nan 0.000 0.419 141 G N 1.686 110.424 108.800 -0.103 0.000 2.195 141 G HA2 -0.250 3.710 3.960 -0.002 0.000 0.246 141 G HA3 -0.250 3.710 3.960 -0.002 0.000 0.246 141 G C 0.254 174.859 174.900 -0.491 0.000 0.984 141 G CA 0.271 45.197 45.100 -0.290 0.000 0.633 141 G HN 0.815 nan 8.290 nan 0.000 0.525 142 H N -0.865 118.221 119.070 0.027 0.000 2.865 142 H HA 0.338 4.893 4.556 -0.001 0.000 0.247 142 H C 1.902 177.249 175.328 0.031 0.000 1.181 142 H CA 0.436 56.500 56.048 0.026 0.000 0.975 142 H CB 0.340 30.118 29.762 0.027 0.000 1.899 142 H HN 0.233 nan 8.280 nan 0.000 0.651 143 V N 0.836 120.810 119.914 0.101 0.000 2.490 143 V HA -0.240 3.879 4.120 -0.002 0.000 0.250 143 V C 2.748 178.887 176.094 0.075 0.000 1.061 143 V CA 1.816 64.172 62.300 0.092 0.000 1.064 143 V CB -0.228 31.644 31.823 0.081 0.000 0.670 143 V HN 0.180 nan 8.190 nan 0.000 0.461 144 R N 1.676 122.203 120.500 0.046 0.000 2.096 144 R HA -0.131 4.208 4.340 -0.002 0.000 0.235 144 R C 2.492 178.814 176.300 0.037 0.000 1.127 144 R CA 1.963 58.074 56.100 0.018 0.000 0.968 144 R CB -0.884 29.415 30.300 -0.003 0.000 0.861 144 R HN 0.674 nan 8.270 nan 0.000 0.440 145 S N -0.694 115.048 115.700 0.070 0.000 2.423 145 S HA -0.048 4.421 4.470 -0.002 0.000 0.231 145 S C 2.085 176.731 174.600 0.076 0.000 1.014 145 S CA 1.034 59.275 58.200 0.068 0.000 0.965 145 S CB -0.378 62.871 63.200 0.082 0.000 0.785 145 S HN 0.349 nan 8.310 nan 0.000 0.495 146 I N 1.142 121.768 120.570 0.093 0.000 2.286 146 I HA -0.081 4.088 4.170 -0.002 0.000 0.245 146 I C 2.371 178.568 176.117 0.132 0.000 1.104 146 I CA 0.814 62.181 61.300 0.112 0.000 1.397 146 I CB -0.323 37.746 38.000 0.115 0.000 1.072 146 I HN 0.209 nan 8.210 nan 0.000 0.417 147 V N 0.748 120.725 119.914 0.104 0.000 2.490 147 V HA -0.286 3.833 4.120 -0.002 0.000 0.250 147 V C 1.804 177.967 176.094 0.116 0.000 1.061 147 V CA 1.805 64.168 62.300 0.105 0.000 1.064 147 V CB -0.645 31.189 31.823 0.018 0.000 0.670 147 V HN 0.404 nan 8.190 nan 0.000 0.461 148 D N -0.067 120.371 120.400 0.064 0.000 2.312 148 D HA -0.083 4.556 4.640 -0.002 0.000 0.211 148 D C 1.809 178.170 176.300 0.101 0.000 0.964 148 D CA 0.586 54.616 54.000 0.050 0.000 0.877 148 D CB -0.246 40.564 40.800 0.016 0.000 0.924 148 D HN 0.377 nan 8.370 nan 0.000 0.515 149 N N -0.236 118.547 118.700 0.137 0.000 2.457 149 N HA -0.083 4.656 4.740 -0.002 0.000 0.180 149 N C 0.250 175.870 175.510 0.183 0.000 1.050 149 N CA 0.023 53.152 53.050 0.133 0.000 0.906 149 N CB 0.006 38.571 38.487 0.129 0.000 0.968 149 N HN 0.342 nan 8.380 nan 0.000 0.445 150 W N 2.705 124.048 121.300 0.072 0.000 2.381 150 W HA 0.052 4.711 4.660 -0.001 0.000 0.321 150 W C -1.655 174.920 176.519 0.092 0.000 1.407 150 W CA -1.323 56.075 57.345 0.089 0.000 1.274 150 W CB 0.856 30.396 29.460 0.133 0.000 1.310 150 W HN 0.107 nan 8.180 nan 0.000 0.551 151 P HA -0.206 nan 4.420 nan 0.000 0.215 151 P C 0.046 177.237 177.300 -0.181 0.000 1.157 151 P CA 1.690 64.588 63.100 -0.336 0.000 0.874 151 P CB 0.139 31.553 31.700 -0.476 0.000 0.790 152 E N 0.270 120.329 120.200 -0.236 0.000 2.360 152 E HA -0.009 4.340 4.350 -0.002 0.000 0.269 152 E C 0.962 177.745 176.600 0.304 0.000 1.022 152 E CA 0.100 56.545 56.400 0.076 0.000 0.887 152 E CB 0.113 29.905 29.700 0.154 0.000 0.990 152 E HN 0.344 nan 8.360 nan 0.000 0.426 153 N N 1.949 120.804 118.700 0.258 0.000 2.356 153 N HA -0.129 4.610 4.740 -0.002 0.000 0.178 153 N C 0.261 176.035 175.510 0.441 0.000 1.075 153 N CA 0.421 53.682 53.050 0.351 0.000 0.889 153 N CB 0.248 38.844 38.487 0.182 0.000 0.999 153 N HN 0.512 nan 8.380 nan 0.000 0.464 154 H N 0.808 119.969 119.070 0.152 0.000 2.429 154 H HA 0.346 4.901 4.556 -0.002 0.000 0.237 154 H C -0.852 174.406 175.328 -0.116 0.000 1.378 154 H CA -0.511 55.580 56.048 0.072 0.000 1.170 154 H CB 0.560 30.358 29.762 0.060 0.000 1.671 154 H HN -0.170 nan 8.280 nan 0.000 0.541 155 V N 2.937 122.635 119.914 -0.359 0.000 2.585 155 V HA -0.030 4.089 4.120 -0.002 0.000 0.296 155 V C 0.902 176.801 176.094 -0.326 0.000 1.035 155 V CA 0.537 62.501 62.300 -0.560 0.000 1.084 155 V CB 1.337 32.447 31.823 -1.189 0.000 0.953 155 V HN 0.677 nan 8.190 nan 0.000 0.483 156 K N 2.845 123.101 120.400 -0.241 0.000 2.450 156 K HA 0.443 4.762 4.320 -0.002 0.000 0.206 156 K C 0.138 176.694 176.600 -0.073 0.000 1.148 156 K CA 0.357 56.564 56.287 -0.133 0.000 1.014 156 K CB 1.622 34.032 32.500 -0.150 0.000 0.966 156 K HN 0.684 nan 8.250 nan 0.000 0.566 157 A N 1.284 124.033 122.820 -0.117 0.000 2.408 157 A HA 0.584 4.903 4.320 -0.002 0.000 0.295 157 A C -0.996 176.461 177.584 -0.212 0.000 1.040 157 A CA -0.531 51.465 52.037 -0.067 0.000 0.707 157 A CB 1.572 20.623 19.000 0.086 0.000 1.235 157 A HN -0.095 nan 8.150 nan 0.000 0.418 158 V N 2.223 122.020 119.914 -0.195 0.000 2.604 158 V HA 0.617 4.736 4.120 -0.002 0.000 0.305 158 V C -0.542 175.385 176.094 -0.278 0.000 1.043 158 V CA -0.613 61.530 62.300 -0.262 0.000 0.888 158 V CB 1.839 33.534 31.823 -0.213 0.000 0.995 158 V HN 0.694 nan 8.190 nan 0.000 0.429 159 V N 5.039 124.750 119.914 -0.338 0.000 2.407 159 V HA 0.563 4.682 4.120 -0.002 0.000 0.291 159 V C -0.418 175.488 176.094 -0.313 0.000 1.018 159 V CA -0.540 61.559 62.300 -0.334 0.000 0.842 159 V CB 1.863 33.459 31.823 -0.378 0.000 0.996 159 V HN 0.639 nan 8.190 nan 0.000 0.426 160 V N 4.731 124.458 119.914 -0.312 0.000 2.769 160 V HA 0.887 5.006 4.120 -0.002 0.000 0.312 160 V C -0.372 175.638 176.094 -0.140 0.000 1.061 160 V CA 0.157 62.265 62.300 -0.319 0.000 0.931 160 V CB 2.521 34.068 31.823 -0.460 0.000 1.010 160 V HN 0.955 nan 8.190 nan 0.000 0.433 161 T N 2.564 116.974 114.554 -0.239 0.000 2.883 161 T HA 0.439 4.789 4.350 -0.002 0.000 0.301 161 T C -0.482 173.857 174.700 -0.601 0.000 1.158 161 T CA 0.131 61.998 62.100 -0.388 0.000 1.007 161 T CB 1.729 70.426 68.868 -0.285 0.000 1.186 161 T HN 0.941 nan 8.240 nan 0.000 0.499 162 D N 0.666 120.488 120.400 -0.963 0.000 2.433 162 D HA 0.222 4.861 4.640 -0.002 0.000 0.211 162 D C 1.384 177.485 176.300 -0.332 0.000 1.114 162 D CA 0.618 54.294 54.000 -0.539 0.000 0.837 162 D CB -0.300 40.233 40.800 -0.444 0.000 0.984 162 D HN 1.080 nan 8.370 nan 0.000 0.505 163 G N 1.509 110.107 108.800 -0.337 0.000 2.187 163 G HA2 -0.418 3.541 3.960 -0.002 0.000 0.261 163 G HA3 -0.418 3.541 3.960 -0.002 0.000 0.261 163 G C 0.720 175.533 174.900 -0.146 0.000 1.000 163 G CA 0.751 45.737 45.100 -0.190 0.000 0.718 163 G HN 0.522 nan 8.290 nan 0.000 0.519 164 E N -0.539 119.558 120.200 -0.171 0.000 2.230 164 E HA 0.060 4.409 4.350 -0.002 0.000 0.192 164 E C 1.613 178.170 176.600 -0.072 0.000 0.987 164 E CA 0.264 56.600 56.400 -0.107 0.000 0.841 164 E CB 0.067 29.713 29.700 -0.091 0.000 0.783 164 E HN 0.337 nan 8.360 nan 0.000 0.481 165 R N 1.372 121.830 120.500 -0.070 0.000 2.644 165 R HA 0.191 4.530 4.340 -0.002 0.000 0.271 165 R C -1.079 175.190 176.300 -0.051 0.000 1.687 165 R CA -0.472 55.602 56.100 -0.042 0.000 1.655 165 R CB 0.339 30.632 30.300 -0.010 0.000 1.285 165 R HN 0.117 nan 8.270 nan 0.000 0.643 166 I N 5.287 125.819 120.570 -0.063 0.000 2.406 166 I HA 0.022 4.191 4.170 -0.002 0.000 0.293 166 I C 1.581 177.660 176.117 -0.064 0.000 1.101 166 I CA 0.494 61.752 61.300 -0.069 0.000 1.334 166 I CB -0.434 37.523 38.000 -0.072 0.000 1.421 166 I HN 0.625 nan 8.210 nan 0.000 0.513 167 L N 5.209 126.394 121.223 -0.064 0.000 6.223 167 L HA -0.315 4.024 4.340 -0.002 0.000 0.053 167 L C 1.414 178.252 176.870 -0.055 0.000 2.244 167 L CA 1.451 56.250 54.840 -0.069 0.000 1.647 167 L CB -1.487 40.514 42.059 -0.096 0.000 2.769 167 L HN 0.696 nan 8.230 nan 0.000 1.016 168 G N -1.322 107.443 108.800 -0.058 0.000 3.575 168 G HA2 0.422 4.381 3.960 -0.002 0.000 0.273 168 G HA3 0.422 4.381 3.960 -0.002 0.000 0.273 168 G C 0.603 175.475 174.900 -0.045 0.000 1.053 168 G CA -0.140 44.932 45.100 -0.048 0.000 0.803 168 G HN 0.189 nan 8.290 nan 0.000 0.528 169 L N 0.336 121.530 121.223 -0.048 0.000 2.509 169 L HA 0.359 4.698 4.340 -0.002 0.000 0.222 169 L C 1.776 178.624 176.870 -0.038 0.000 1.123 169 L CA 0.935 55.750 54.840 -0.042 0.000 0.856 169 L CB -0.705 41.327 42.059 -0.044 0.000 0.985 169 L HN 0.409 nan 8.230 nan 0.000 0.456 170 G N -0.701 108.074 108.800 -0.040 0.000 2.484 170 G HA2 -0.258 3.701 3.960 -0.002 0.000 0.225 170 G HA3 -0.258 3.701 3.960 -0.002 0.000 0.225 170 G C -0.447 174.424 174.900 -0.048 0.000 1.250 170 G CA -0.141 44.934 45.100 -0.040 0.000 0.926 170 G HN 0.136 nan 8.290 nan 0.000 0.581 171 D N 1.170 121.537 120.400 -0.054 0.000 2.352 171 D HA 0.425 5.064 4.640 -0.002 0.000 0.245 171 D C 1.308 177.564 176.300 -0.072 0.000 1.224 171 D CA -0.047 53.912 54.000 -0.069 0.000 0.879 171 D CB 0.362 41.116 40.800 -0.077 0.000 1.057 171 D HN 0.393 nan 8.370 nan 0.000 0.491 172 L N 3.194 124.384 121.223 -0.054 0.000 2.906 172 L HA 0.271 4.610 4.340 -0.002 0.000 0.255 172 L C 1.629 178.501 176.870 0.002 0.000 1.166 172 L CA -0.110 54.719 54.840 -0.019 0.000 0.977 172 L CB 0.025 42.113 42.059 0.049 0.000 1.313 172 L HN 0.625 nan 8.230 nan 0.000 0.549 173 G N 0.855 109.643 108.800 -0.021 0.000 2.594 173 G HA2 -0.358 3.601 3.960 -0.002 0.000 0.297 173 G HA3 -0.358 3.601 3.960 -0.002 0.000 0.297 173 G C 0.794 175.768 174.900 0.123 0.000 1.273 173 G CA 0.214 45.354 45.100 0.066 0.000 0.974 173 G HN -0.096 nan 8.290 nan 0.000 0.552 174 V N 0.573 120.604 119.914 0.195 0.000 2.867 174 V HA -0.139 3.981 4.120 -0.002 0.000 0.260 174 V C 2.280 178.554 176.094 0.299 0.000 1.099 174 V CA 2.539 64.935 62.300 0.160 0.000 1.122 174 V CB -0.873 30.940 31.823 -0.017 0.000 0.708 174 V HN 0.547 nan 8.190 nan 0.000 0.490 175 Y N 0.707 121.103 120.300 0.159 0.000 2.483 175 Y HA -0.015 4.534 4.550 -0.002 0.000 0.291 175 Y C 1.939 177.700 175.900 -0.232 0.000 1.143 175 Y CA -0.170 57.974 58.100 0.074 0.000 1.289 175 Y CB -0.118 38.439 38.460 0.161 0.000 0.983 175 Y HN 0.442 nan 8.280 nan 0.000 0.556 179 I N 1.911 122.404 120.570 -0.129 0.000 2.193 179 I HA 0.019 4.188 4.170 -0.002 0.000 0.240 179 I C -0.279 175.804 176.117 -0.057 0.000 1.084 179 I CA 1.116 62.382 61.300 -0.057 0.000 1.365 179 I CB -1.732 36.215 38.000 -0.087 0.000 1.064 179 I HN 0.011 nan 8.210 nan 0.000 0.410 180 P HA -0.076 nan 4.420 nan 0.000 0.217 180 P C 2.245 179.466 177.300 -0.133 0.000 1.150 180 P CA 1.004 64.002 63.100 -0.171 0.000 0.832 180 P CB 0.063 31.623 31.700 -0.233 0.000 0.787 181 V N 0.079 119.948 119.914 -0.075 0.000 2.295 181 V HA -0.198 3.921 4.120 -0.002 0.000 0.246 181 V C 2.601 178.722 176.094 0.044 0.000 1.049 181 V CA 2.601 64.891 62.300 -0.017 0.000 1.024 181 V CB -1.883 29.975 31.823 0.058 0.000 0.648 181 V HN 0.176 nan 8.190 nan 0.000 0.447 182 G N -0.263 108.599 108.800 0.103 0.000 2.418 182 G HA2 -0.210 3.749 3.960 -0.002 0.000 0.217 182 G HA3 -0.210 3.749 3.960 -0.002 0.000 0.217 182 G C 1.645 176.636 174.900 0.153 0.000 1.158 182 G CA 0.588 45.798 45.100 0.184 0.000 0.771 182 G HN 0.357 nan 8.290 nan 0.000 0.545 183 K N 0.400 120.853 120.400 0.089 0.000 2.032 183 K HA 0.013 4.332 4.320 -0.002 0.000 0.209 183 K C 2.505 179.192 176.600 0.146 0.000 1.048 183 K CA 0.726 57.049 56.287 0.060 0.000 0.927 183 K CB -0.813 31.572 32.500 -0.191 0.000 0.712 183 K HN 0.350 nan 8.250 nan 0.000 0.441 184 L N 0.456 121.641 121.223 -0.063 0.000 2.201 184 L HA -0.194 4.145 4.340 -0.002 0.000 0.212 184 L C 2.617 179.563 176.870 0.127 0.000 1.105 184 L CA 0.635 55.392 54.840 -0.139 0.000 0.775 184 L CB -0.417 41.481 42.059 -0.267 0.000 0.913 184 L HN 0.166 nan 8.230 nan 0.000 0.440 185 C N -0.180 119.241 119.300 0.202 0.000 2.425 185 C HA -0.147 4.313 4.460 -0.002 0.000 0.277 185 C C 2.651 177.839 174.990 0.331 0.000 1.280 185 C CA 0.549 59.789 59.018 0.370 0.000 1.744 185 C CB -0.758 27.185 27.740 0.338 0.000 1.989 185 C HN 0.452 nan 8.230 nan 0.000 0.491 186 L N -1.246 120.124 121.223 0.246 0.000 2.217 186 L HA -0.106 4.233 4.340 -0.002 0.000 0.211 186 L C 2.446 179.437 176.870 0.202 0.000 1.107 186 L CA 1.197 56.131 54.840 0.157 0.000 0.783 186 L CB -0.723 41.383 42.059 0.079 0.000 0.919 186 L HN 0.280 nan 8.230 nan 0.000 0.442 187 Y N 0.886 121.265 120.300 0.132 0.000 2.097 187 Y HA -0.284 4.265 4.550 -0.001 0.000 0.282 187 Y C 2.872 178.744 175.900 -0.045 0.000 1.152 187 Y CA 1.949 60.096 58.100 0.078 0.000 1.136 187 Y CB -0.906 37.595 38.460 0.068 0.000 0.975 187 Y HN 0.119 nan 8.280 nan 0.000 0.498 188 T N -0.438 114.154 114.554 0.062 0.000 2.698 188 T HA -0.110 4.239 4.350 -0.002 0.000 0.260 188 T C 2.215 176.838 174.700 -0.128 0.000 1.044 188 T CA 1.312 63.281 62.100 -0.218 0.000 1.149 188 T CB -0.790 67.612 68.868 -0.777 0.000 0.864 188 T HN 0.373 nan 8.240 nan 0.000 0.419 189 A N 0.624 123.458 122.820 0.023 0.000 1.917 189 A HA -0.161 4.159 4.320 -0.002 0.000 0.219 189 A C 2.656 180.238 177.584 -0.004 0.000 1.182 189 A CA 1.869 53.959 52.037 0.088 0.000 0.633 189 A CB -1.284 17.785 19.000 0.115 0.000 0.819 189 A HN 0.657 nan 8.150 nan 0.000 0.448 190 C N -2.060 117.210 119.300 -0.049 0.000 2.522 190 C HA 0.411 4.870 4.460 -0.002 0.000 0.280 190 C C 2.864 177.800 174.990 -0.091 0.000 1.303 190 C CA 0.609 59.565 59.018 -0.104 0.000 1.709 190 C CB -0.816 26.804 27.740 -0.199 0.000 2.071 190 C HN 0.691 nan 8.230 nan 0.000 0.492 191 A N -0.550 122.217 122.820 -0.088 0.000 2.390 191 A HA 0.502 4.821 4.320 -0.002 0.000 0.232 191 A C 1.482 179.044 177.584 -0.036 0.000 1.233 191 A CA 0.921 52.912 52.037 -0.078 0.000 0.907 191 A CB -0.609 18.319 19.000 -0.121 0.000 0.967 191 A HN 1.202 nan 8.150 nan 0.000 0.512 192 G N 0.176 108.971 108.800 -0.009 0.000 2.273 192 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.280 192 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.280 192 G C 0.027 174.951 174.900 0.039 0.000 1.047 192 G CA 0.420 45.556 45.100 0.059 0.000 0.869 192 G HN 0.497 nan 8.290 nan 0.000 0.502 193 I N 0.409 120.957 120.570 -0.036 0.000 2.441 193 I HA 0.189 4.358 4.170 -0.002 0.000 0.287 193 I C 1.382 177.377 176.117 -0.203 0.000 1.049 193 I CA -0.694 60.575 61.300 -0.051 0.000 1.381 193 I CB 0.630 38.655 38.000 0.042 0.000 1.409 193 I HN 0.121 nan 8.210 nan 0.000 0.523 194 R N 7.357 127.729 120.500 -0.213 0.000 2.480 194 R HA -0.002 4.337 4.340 -0.002 0.000 0.303 194 R C -1.625 174.376 176.300 -0.498 0.000 0.985 194 R CA -1.023 54.801 56.100 -0.460 0.000 1.051 194 R CB -0.000 30.165 30.300 -0.224 0.000 0.935 194 R HN 0.401 nan 8.270 nan 0.000 0.410 195 P HA -0.221 nan 4.420 nan 0.000 0.216 195 P C 0.626 177.785 177.300 -0.234 0.000 1.153 195 P CA 1.338 64.147 63.100 -0.484 0.000 0.858 195 P CB 0.106 31.458 31.700 -0.581 0.000 0.789 196 D N -0.800 119.473 120.400 -0.212 0.000 2.350 196 D HA -0.148 4.491 4.640 -0.002 0.000 0.216 196 D C 1.232 177.499 176.300 -0.054 0.000 0.968 196 D CA 0.775 54.731 54.000 -0.074 0.000 0.894 196 D CB -0.576 40.201 40.800 -0.039 0.000 0.909 196 D HN 0.228 nan 8.370 nan 0.000 0.520 197 R N -0.587 119.835 120.500 -0.131 0.000 2.507 197 R HA 0.269 4.608 4.340 -0.002 0.000 0.298 197 R C -0.300 175.895 176.300 -0.176 0.000 0.999 197 R CA -0.271 55.735 56.100 -0.157 0.000 1.082 197 R CB 0.443 30.619 30.300 -0.206 0.000 1.246 197 R HN 0.097 nan 8.270 nan 0.000 0.553 198 C N 1.226 120.434 119.300 -0.152 0.000 2.411 198 C HA 0.552 5.011 4.460 -0.002 0.000 0.330 198 C C -0.559 174.299 174.990 -0.219 0.000 1.224 198 C CA -0.966 57.927 59.018 -0.208 0.000 1.770 198 C CB 1.253 28.865 27.740 -0.214 0.000 2.297 198 C HN 0.295 nan 8.230 nan 0.000 0.507 199 L N 6.507 127.514 121.223 -0.360 0.000 2.457 199 L HA 0.590 4.929 4.340 -0.002 0.000 0.266 199 L C -2.600 173.970 176.870 -0.501 0.000 0.979 199 L CA -1.679 52.835 54.840 -0.542 0.000 0.857 199 L CB 1.722 43.337 42.059 -0.740 0.000 1.213 199 L HN 0.436 nan 8.230 nan 0.000 0.418 200 P HA 0.334 nan 4.420 nan 0.000 0.285 200 P C -1.240 175.782 177.300 -0.463 0.000 1.259 200 P CA -0.231 62.633 63.100 -0.393 0.000 0.794 200 P CB 1.980 33.510 31.700 -0.283 0.000 0.940 201 V N 3.448 123.108 119.914 -0.424 0.000 2.735 201 V HA 0.380 4.499 4.120 -0.002 0.000 0.310 201 V C -0.174 175.640 176.094 -0.466 0.000 1.061 201 V CA -0.524 61.497 62.300 -0.465 0.000 0.913 201 V CB 2.435 34.005 31.823 -0.421 0.000 1.005 201 V HN 0.751 nan 8.190 nan 0.000 0.428 202 C N 6.441 125.443 119.300 -0.497 0.000 2.364 202 C HA 0.638 5.097 4.460 -0.002 0.000 0.324 202 C C -0.613 174.213 174.990 -0.274 0.000 1.234 202 C CA -0.524 58.272 59.018 -0.370 0.000 1.417 202 C CB -0.182 27.361 27.740 -0.328 0.000 2.101 202 C HN 0.720 nan 8.230 nan 0.000 0.466 203 I N 5.461 125.864 120.570 -0.278 0.000 2.297 203 I HA 0.271 4.440 4.170 -0.002 0.000 0.291 203 I C 0.016 176.091 176.117 -0.070 0.000 1.033 203 I CA 0.444 61.622 61.300 -0.203 0.000 1.253 203 I CB 1.001 38.860 38.000 -0.236 0.000 1.396 203 I HN 0.701 nan 8.210 nan 0.000 0.476 204 D N 6.626 127.022 120.400 -0.006 0.000 2.392 204 D HA 0.310 4.949 4.640 -0.002 0.000 0.228 204 D C 0.502 176.835 176.300 0.054 0.000 1.074 204 D CA -0.369 53.647 54.000 0.027 0.000 0.838 204 D CB 1.264 42.082 40.800 0.031 0.000 1.067 204 D HN 0.327 nan 8.370 nan 0.000 0.511 205 V N 1.659 121.617 119.914 0.074 0.000 3.159 205 V HA 0.734 4.854 4.120 -0.002 0.000 0.333 205 V C 0.768 176.891 176.094 0.049 0.000 1.424 205 V CA 0.346 62.704 62.300 0.097 0.000 1.125 205 V CB -0.310 31.635 31.823 0.204 0.000 1.075 205 V HN 0.738 nan 8.190 nan 0.000 0.482 206 G N -0.159 108.662 108.800 0.035 0.000 2.498 206 G HA2 0.280 4.239 3.960 -0.002 0.000 0.651 206 G HA3 0.280 4.239 3.960 -0.002 0.000 0.651 206 G C -0.486 174.409 174.900 -0.009 0.000 1.284 206 G CA 0.002 45.115 45.100 0.022 0.000 0.950 206 G HN 1.264 nan 8.290 nan 0.000 0.511 207 T N -1.280 113.245 114.554 -0.050 0.000 2.923 207 T HA 0.582 4.931 4.350 -0.002 0.000 0.311 207 T C -0.464 174.168 174.700 -0.114 0.000 1.183 207 T CA 0.205 62.242 62.100 -0.105 0.000 1.020 207 T CB 1.726 70.474 68.868 -0.200 0.000 1.165 207 T HN 0.417 nan 8.240 nan 0.000 0.482 208 D N 1.987 122.324 120.400 -0.104 0.000 2.339 208 D HA 0.072 4.712 4.640 -0.002 0.000 0.217 208 D C 0.452 176.694 176.300 -0.098 0.000 1.050 208 D CA 0.061 54.009 54.000 -0.086 0.000 0.856 208 D CB 0.212 40.972 40.800 -0.066 0.000 0.922 208 D HN 0.437 nan 8.370 nan 0.000 0.518 209 N N 1.772 120.389 118.700 -0.137 0.000 2.400 209 N HA 0.013 4.752 4.740 -0.002 0.000 0.267 209 N C 1.312 176.733 175.510 -0.148 0.000 1.208 209 N CA -0.023 52.942 53.050 -0.141 0.000 0.951 209 N CB 0.422 38.799 38.487 -0.183 0.000 1.227 209 N HN 0.100 nan 8.380 nan 0.000 0.488 210 I N 2.549 123.063 120.570 -0.094 0.000 2.264 210 I HA -0.314 3.855 4.170 -0.002 0.000 0.248 210 I C 2.143 178.216 176.117 -0.073 0.000 1.111 210 I CA 1.143 62.399 61.300 -0.073 0.000 1.382 210 I CB -0.208 37.765 38.000 -0.046 0.000 1.060 210 I HN 0.547 nan 8.210 nan 0.000 0.418 211 A N 0.991 123.769 122.820 -0.070 0.000 1.902 211 A HA -0.138 4.181 4.320 -0.002 0.000 0.217 211 A C 2.306 179.849 177.584 -0.068 0.000 1.181 211 A CA 1.346 53.357 52.037 -0.043 0.000 0.623 211 A CB -0.736 18.252 19.000 -0.020 0.000 0.818 211 A HN 0.394 nan 8.150 nan 0.000 0.443 212 L N -0.629 120.481 121.223 -0.187 0.000 2.141 212 L HA -0.085 4.254 4.340 -0.002 0.000 0.209 212 L C 2.238 178.921 176.870 -0.312 0.000 1.094 212 L CA 0.652 55.267 54.840 -0.374 0.000 0.763 212 L CB -0.459 41.107 42.059 -0.822 0.000 0.908 212 L HN 0.359 nan 8.230 nan 0.000 0.437 213 L N -0.227 120.873 121.223 -0.204 0.000 2.456 213 L HA -0.160 4.179 4.340 -0.002 0.000 0.224 213 L C 1.679 178.614 176.870 0.107 0.000 1.148 213 L CA 1.138 55.989 54.840 0.019 0.000 0.825 213 L CB -0.237 41.816 42.059 -0.010 0.000 0.937 213 L HN 0.276 nan 8.230 nan 0.000 0.450 214 K N -1.178 119.243 120.400 0.035 0.000 2.387 214 K HA 0.081 4.400 4.320 -0.002 0.000 0.203 214 K C -0.097 176.524 176.600 0.035 0.000 1.030 214 K CA -0.220 56.069 56.287 0.003 0.000 1.099 214 K CB 0.506 32.996 32.500 -0.016 0.000 0.863 214 K HN -0.035 nan 8.250 nan 0.000 0.529 215 D N 1.744 122.219 120.400 0.125 0.000 2.316 215 D HA 0.104 4.743 4.640 -0.002 0.000 0.245 215 D C -1.984 174.424 176.300 0.181 0.000 1.171 215 D CA -2.374 51.729 54.000 0.173 0.000 0.856 215 D CB 1.721 42.682 40.800 0.269 0.000 1.090 215 D HN -0.150 nan 8.370 nan 0.000 0.476 216 P HA -0.020 nan 4.420 nan 0.000 0.225 216 P C 0.443 177.603 177.300 -0.234 0.000 1.148 216 P CA 0.711 63.667 63.100 -0.239 0.000 0.779 216 P CB 0.050 31.441 31.700 -0.516 0.000 0.780 217 F N -3.686 116.358 119.950 0.157 0.000 2.695 217 F HA 0.203 4.729 4.527 -0.002 0.000 0.303 217 F C 1.276 177.248 175.800 0.287 0.000 1.091 217 F CA -1.201 56.878 58.000 0.130 0.000 1.300 217 F CB -1.108 37.871 39.000 -0.035 0.000 1.071 217 F HN -0.095 nan 8.300 nan 0.000 0.578 221 L N 0.500 121.590 121.223 -0.222 0.000 2.367 221 L HA 0.393 4.733 4.340 -0.002 0.000 0.275 221 L C -0.237 176.599 176.870 -0.058 0.000 1.129 221 L CA -0.322 54.455 54.840 -0.106 0.000 0.839 221 L CB 0.304 42.356 42.059 -0.012 0.000 1.133 221 L HN 0.483 nan 8.230 nan 0.000 0.453 222 Y N 4.139 124.497 120.300 0.098 0.000 2.623 222 Y HA 0.273 4.822 4.550 -0.002 0.000 0.341 222 Y C 0.476 176.395 175.900 0.033 0.000 1.292 222 Y CA -0.223 57.926 58.100 0.082 0.000 1.840 222 Y CB -0.275 38.214 38.460 0.049 0.000 1.865 222 Y HN 0.575 nan 8.280 nan 0.000 0.440 223 Q N -0.540 119.330 119.800 0.116 0.000 2.534 223 Q HA 0.488 4.827 4.340 -0.002 0.000 0.290 223 Q C -1.286 174.729 176.000 0.025 0.000 0.991 223 Q CA -1.497 54.347 55.803 0.069 0.000 0.783 223 Q CB 1.510 30.284 28.738 0.060 0.000 1.470 223 Q HN -0.050 nan 8.270 nan 0.000 0.406 224 K N 1.075 121.481 120.400 0.010 0.000 2.180 224 K HA 0.241 4.560 4.320 -0.002 0.000 0.251 224 K C -0.191 176.400 176.600 -0.016 0.000 1.014 224 K CA -0.434 55.843 56.287 -0.015 0.000 0.913 224 K CB 0.441 32.931 32.500 -0.016 0.000 1.008 224 K HN 0.606 nan 8.250 nan 0.000 0.490 225 R N 1.713 122.189 120.500 -0.040 0.000 2.502 225 R HA -0.087 4.252 4.340 -0.002 0.000 0.292 225 R C -0.082 176.190 176.300 -0.046 0.000 0.998 225 R CA 0.263 56.329 56.100 -0.056 0.000 1.056 225 R CB 0.246 30.488 30.300 -0.096 0.000 0.939 225 R HN 0.439 nan 8.270 nan 0.000 0.411 226 D N 3.582 123.968 120.400 -0.022 0.000 2.325 226 D HA 0.036 4.675 4.640 -0.002 0.000 0.251 226 D C -0.031 176.255 176.300 -0.024 0.000 1.196 226 D CA 0.135 54.145 54.000 0.017 0.000 0.866 226 D CB 0.721 41.572 40.800 0.084 0.000 1.101 226 D HN 0.519 nan 8.370 nan 0.000 0.476 227 R N 1.895 122.388 120.500 -0.012 0.000 2.546 227 R HA 0.118 4.457 4.340 -0.002 0.000 0.320 227 R C 0.828 177.178 176.300 0.082 0.000 1.021 227 R CA -0.284 55.805 56.100 -0.018 0.000 1.088 227 R CB 0.644 30.919 30.300 -0.041 0.000 1.278 227 R HN 0.472 nan 8.270 nan 0.000 0.557 228 T N -2.366 112.256 114.554 0.113 0.000 2.771 228 T HA -0.015 4.334 4.350 -0.002 0.000 0.290 228 T C 1.220 176.032 174.700 0.186 0.000 1.005 228 T CA -0.532 61.643 62.100 0.125 0.000 0.944 228 T CB 1.075 70.001 68.868 0.098 0.000 1.147 228 T HN -0.071 nan 8.240 nan 0.000 0.534 229 Q N -0.225 119.666 119.800 0.152 0.000 2.364 229 Q HA -0.095 4.244 4.340 -0.002 0.000 0.209 229 Q C 2.225 178.328 176.000 0.171 0.000 0.977 229 Q CA 1.540 57.440 55.803 0.163 0.000 0.885 229 Q CB -0.644 28.163 28.738 0.116 0.000 0.941 229 Q HN 0.778 nan 8.270 nan 0.000 0.464 230 Q N -1.459 118.439 119.800 0.163 0.000 2.170 230 Q HA -0.190 4.149 4.340 -0.002 0.000 0.203 230 Q C 1.392 177.512 176.000 0.199 0.000 0.976 230 Q CA 1.343 57.236 55.803 0.150 0.000 0.858 230 Q CB -0.181 28.634 28.738 0.128 0.000 0.907 230 Q HN 0.562 nan 8.270 nan 0.000 0.433 231 Y N 1.894 122.274 120.300 0.133 0.000 2.133 231 Y HA -0.224 4.325 4.550 -0.002 0.000 0.287 231 Y C 1.578 177.614 175.900 0.228 0.000 1.134 231 Y CA 1.798 60.002 58.100 0.173 0.000 1.133 231 Y CB -0.185 38.394 38.460 0.199 0.000 0.987 231 Y HN 0.056 nan 8.280 nan 0.000 0.502 232 D N 0.165 120.700 120.400 0.225 0.000 2.123 232 D HA -0.204 4.435 4.640 -0.002 0.000 0.196 232 D C 1.825 178.179 176.300 0.090 0.000 0.992 232 D CA 1.821 55.935 54.000 0.190 0.000 0.833 232 D CB -0.709 40.254 40.800 0.272 0.000 0.954 232 D HN 0.690 nan 8.370 nan 0.000 0.455 233 D N 0.096 120.555 120.400 0.098 0.000 2.092 233 D HA -0.185 4.454 4.640 -0.002 0.000 0.193 233 D C 2.048 178.368 176.300 0.034 0.000 0.994 233 D CA 0.851 54.894 54.000 0.072 0.000 0.828 233 D CB -0.505 40.339 40.800 0.072 0.000 0.963 233 D HN 0.141 nan 8.370 nan 0.000 0.450 234 L N 0.023 121.254 121.223 0.014 0.000 2.012 234 L HA -0.121 4.218 4.340 -0.002 0.000 0.210 234 L C 2.272 179.113 176.870 -0.048 0.000 1.073 234 L CA 1.573 56.407 54.840 -0.009 0.000 0.748 234 L CB -0.559 41.498 42.059 -0.003 0.000 0.891 234 L HN 0.221 nan 8.230 nan 0.000 0.431 235 I N -0.504 119.970 120.570 -0.160 0.000 2.226 235 I HA -0.288 3.881 4.170 -0.002 0.000 0.245 235 I C 2.261 178.327 176.117 -0.084 0.000 1.100 235 I CA 1.743 62.920 61.300 -0.206 0.000 1.374 235 I CB -1.307 36.361 38.000 -0.554 0.000 1.057 235 I HN 0.402 nan 8.210 nan 0.000 0.413 236 D N 0.568 120.965 120.400 -0.005 0.000 2.117 236 D HA -0.227 4.412 4.640 -0.002 0.000 0.197 236 D C 2.235 178.530 176.300 -0.008 0.000 0.987 236 D CA 1.052 55.089 54.000 0.061 0.000 0.829 236 D CB 0.128 41.022 40.800 0.155 0.000 0.961 236 D HN 0.283 nan 8.370 nan 0.000 0.460 237 E N -1.036 119.170 120.200 0.011 0.000 2.110 237 E HA -0.150 4.199 4.350 -0.002 0.000 0.193 237 E C 0.698 177.286 176.600 -0.020 0.000 0.988 237 E CA 0.157 56.559 56.400 0.003 0.000 0.804 237 E CB -0.069 29.642 29.700 0.019 0.000 0.745 237 E HN 0.261 nan 8.360 nan 0.000 0.458 241 A N 1.978 124.675 122.820 -0.206 0.000 1.933 241 A HA -0.043 4.276 4.320 -0.002 0.000 0.218 241 A C 1.899 179.344 177.584 -0.232 0.000 1.175 241 A CA 1.296 53.230 52.037 -0.171 0.000 0.628 241 A CB -0.388 18.547 19.000 -0.108 0.000 0.814 241 A HN 0.316 nan 8.150 nan 0.000 0.444 242 I N 0.740 121.081 120.570 -0.383 0.000 2.202 242 I HA -0.181 3.988 4.170 -0.002 0.000 0.242 242 I C 2.800 178.804 176.117 -0.189 0.000 1.091 242 I CA 2.283 63.382 61.300 -0.335 0.000 1.368 242 I CB -1.536 36.066 38.000 -0.662 0.000 1.058 242 I HN 0.565 nan 8.210 nan 0.000 0.410 243 T N -2.190 112.230 114.554 -0.224 0.000 2.904 243 T HA -0.104 4.245 4.350 -0.002 0.000 0.267 243 T C 1.531 176.203 174.700 -0.046 0.000 1.059 243 T CA 0.934 62.988 62.100 -0.076 0.000 1.137 243 T CB -0.304 68.575 68.868 0.018 0.000 0.879 243 T HN 0.126 nan 8.240 nan 0.000 0.467 244 D N 1.348 121.699 120.400 -0.083 0.000 2.144 244 D HA -0.053 4.586 4.640 -0.002 0.000 0.199 244 D C 2.233 178.463 176.300 -0.118 0.000 0.984 244 D CA 1.011 54.966 54.000 -0.075 0.000 0.834 244 D CB -0.250 40.505 40.800 -0.075 0.000 0.955 244 D HN 0.477 nan 8.370 nan 0.000 0.465 245 R N -0.979 119.392 120.500 -0.216 0.000 2.100 245 R HA -0.023 4.316 4.340 -0.002 0.000 0.220 245 R C 1.558 177.632 176.300 -0.376 0.000 1.091 245 R CA 0.766 56.641 56.100 -0.375 0.000 0.986 245 R CB 0.012 29.919 30.300 -0.656 0.000 0.888 245 R HN 0.245 nan 8.270 nan 0.000 0.444 246 Y N -0.828 119.459 120.300 -0.021 0.000 2.458 246 Y HA 0.374 4.923 4.550 -0.002 0.000 0.254 246 Y C 0.590 176.502 175.900 0.020 0.000 1.120 246 Y CA 0.011 58.117 58.100 0.011 0.000 1.282 246 Y CB 1.592 40.056 38.460 0.007 0.000 1.109 246 Y HN 0.309 nan 8.280 nan 0.000 0.526 247 G N 0.304 109.174 108.800 0.116 0.000 2.528 247 G HA2 -0.098 3.861 3.960 -0.002 0.000 0.681 247 G HA3 -0.098 3.861 3.960 -0.002 0.000 0.681 247 G C -0.145 174.796 174.900 0.069 0.000 1.340 247 G CA -0.958 44.192 45.100 0.084 0.000 0.855 247 G HN 0.063 nan 8.290 nan 0.000 0.649 248 R N 0.368 120.900 120.500 0.054 0.000 2.189 248 R HA -0.094 4.245 4.340 -0.002 0.000 0.223 248 R C 1.952 178.284 176.300 0.053 0.000 1.092 248 R CA 1.564 57.706 56.100 0.070 0.000 0.989 248 R CB -0.056 30.257 30.300 0.022 0.000 0.876 248 R HN 0.652 nan 8.270 nan 0.000 0.457 249 N N -0.324 118.393 118.700 0.028 0.000 2.314 249 N HA -0.036 4.703 4.740 -0.002 0.000 0.200 249 N C -0.419 175.119 175.510 0.047 0.000 1.135 249 N CA 0.041 53.099 53.050 0.015 0.000 0.835 249 N CB 0.132 38.623 38.487 0.006 0.000 0.989 249 N HN -0.236 nan 8.380 nan 0.000 0.478 250 T N 1.641 116.226 114.554 0.052 0.000 2.867 250 T HA -0.018 4.332 4.350 -0.002 0.000 0.297 250 T C 0.241 174.962 174.700 0.034 0.000 0.989 250 T CA -0.322 61.797 62.100 0.032 0.000 1.159 250 T CB 0.447 69.320 68.868 0.009 0.000 0.928 250 T HN 0.263 nan 8.240 nan 0.000 0.538 251 L N 5.573 126.829 121.223 0.056 0.000 2.418 251 L HA 0.359 4.698 4.340 -0.002 0.000 0.274 251 L C -0.536 176.373 176.870 0.063 0.000 1.135 251 L CA 0.000 54.913 54.840 0.122 0.000 0.870 251 L CB 0.041 42.215 42.059 0.192 0.000 1.154 251 L HN 0.655 nan 8.230 nan 0.000 0.462 252 I N 5.729 126.338 120.570 0.066 0.000 2.390 252 I HA 0.222 4.391 4.170 -0.002 0.000 0.283 252 I C -0.148 175.929 176.117 -0.066 0.000 1.016 252 I CA -0.321 60.948 61.300 -0.051 0.000 1.151 252 I CB 1.713 39.643 38.000 -0.116 0.000 1.293 252 I HN 0.596 nan 8.210 nan 0.000 0.458 253 Q N 6.342 126.014 119.800 -0.214 0.000 2.360 253 Q HA 0.387 4.726 4.340 -0.002 0.000 0.254 253 Q C -1.324 174.469 176.000 -0.345 0.000 0.975 253 Q CA -0.634 54.891 55.803 -0.462 0.000 0.912 253 Q CB 0.884 29.348 28.738 -0.456 0.000 1.212 253 Q HN 0.419 nan 8.270 nan 0.000 0.452 254 F N 2.728 122.451 119.950 -0.379 0.000 2.412 254 F HA 0.258 4.784 4.527 -0.001 0.000 0.348 254 F C 0.381 176.106 175.800 -0.125 0.000 1.102 254 F CA -0.063 57.801 58.000 -0.226 0.000 1.196 254 F CB 1.213 39.993 39.000 -0.367 0.000 1.144 254 F HN 0.554 nan 8.300 nan 0.000 0.541 255 E N 1.650 121.979 120.200 0.214 0.000 2.290 255 E HA 0.309 4.658 4.350 -0.002 0.000 0.274 255 E C -1.194 175.523 176.600 0.195 0.000 0.889 255 E CA -0.554 55.916 56.400 0.116 0.000 0.760 255 E CB 0.956 30.623 29.700 -0.055 0.000 1.206 255 E HN 0.487 nan 8.360 nan 0.000 0.419 256 D N 2.287 122.760 120.400 0.121 0.000 2.708 256 D HA -0.225 4.414 4.640 -0.002 0.000 0.236 256 D C -0.886 175.442 176.300 0.046 0.000 1.146 256 D CA 0.968 54.997 54.000 0.050 0.000 0.662 256 D CB -1.337 39.435 40.800 -0.046 0.000 1.059 256 D HN 0.224 nan 8.370 nan 0.000 0.428 257 F N 0.555 120.524 119.950 0.033 0.000 2.377 257 F HA 0.534 5.060 4.527 -0.002 0.000 0.328 257 F C 1.946 177.763 175.800 0.029 0.000 1.094 257 F CA -0.021 58.032 58.000 0.088 0.000 1.093 257 F CB 0.800 39.923 39.000 0.205 0.000 1.214 257 F HN -0.043 nan 8.300 nan 0.000 0.518 258 G N 1.434 110.346 108.800 0.186 0.000 2.664 258 G HA2 -0.088 3.871 3.960 -0.002 0.000 0.242 258 G HA3 -0.088 3.871 3.960 -0.002 0.000 0.242 258 G C 0.990 175.956 174.900 0.111 0.000 1.225 258 G CA -0.327 44.837 45.100 0.107 0.000 0.849 258 G HN 0.753 nan 8.290 nan 0.000 0.581 259 N N -0.158 118.601 118.700 0.099 0.000 2.036 259 N HA -0.258 4.481 4.740 -0.002 0.000 0.195 259 N C 1.853 177.488 175.510 0.208 0.000 1.037 259 N CA 2.114 55.249 53.050 0.141 0.000 0.855 259 N CB -0.386 38.201 38.487 0.166 0.000 1.033 259 N HN 0.734 nan 8.380 nan 0.000 0.423 260 H N 0.745 119.868 119.070 0.088 0.000 2.267 260 H HA -0.004 4.551 4.556 -0.002 0.000 0.297 260 H C 1.734 177.052 175.328 -0.018 0.000 1.080 260 H CA 2.603 58.686 56.048 0.059 0.000 1.278 260 H CB -0.608 29.165 29.762 0.018 0.000 1.365 260 H HN 0.438 nan 8.280 nan 0.000 0.489 261 N N -0.203 118.389 118.700 -0.181 0.000 2.166 261 N HA -0.114 4.625 4.740 -0.002 0.000 0.186 261 N C 2.059 177.314 175.510 -0.426 0.000 1.019 261 N CA 0.749 53.529 53.050 -0.450 0.000 0.856 261 N CB -0.142 38.363 38.487 0.030 0.000 0.993 261 N HN 0.458 nan 8.380 nan 0.000 0.426 262 A N 0.972 123.690 122.820 -0.170 0.000 1.892 262 A HA -0.164 4.155 4.320 -0.002 0.000 0.218 262 A C 1.817 179.125 177.584 -0.459 0.000 1.188 262 A CA 1.361 53.224 52.037 -0.290 0.000 0.631 262 A CB -0.922 17.883 19.000 -0.326 0.000 0.822 262 A HN 0.237 nan 8.150 nan 0.000 0.447 263 F N 0.307 120.079 119.950 -0.296 0.000 2.128 263 F HA -0.123 4.403 4.527 -0.001 0.000 0.295 263 F C 2.678 178.323 175.800 -0.257 0.000 1.100 263 F CA 1.605 59.402 58.000 -0.338 0.000 1.260 263 F CB -0.297 38.383 39.000 -0.532 0.000 1.009 263 F HN 0.252 nan 8.300 nan 0.000 0.476 264 R N -0.037 120.369 120.500 -0.156 0.000 2.096 264 R HA -0.178 4.161 4.340 -0.002 0.000 0.235 264 R C 2.071 178.241 176.300 -0.217 0.000 1.127 264 R CA 1.855 57.824 56.100 -0.219 0.000 0.968 264 R CB -1.537 28.518 30.300 -0.409 0.000 0.861 264 R HN 0.274 nan 8.270 nan 0.000 0.440 265 F N 0.992 120.773 119.950 -0.280 0.000 2.206 265 F HA -0.084 4.442 4.527 -0.001 0.000 0.298 265 F C 2.328 177.879 175.800 -0.415 0.000 1.090 265 F CA 0.080 57.845 58.000 -0.392 0.000 1.323 265 F CB -0.092 38.579 39.000 -0.548 0.000 1.028 265 F HN 0.003 nan 8.300 nan 0.000 0.492 266 L N 0.820 121.909 121.223 -0.222 0.000 2.046 266 L HA -0.168 4.171 4.340 -0.002 0.000 0.208 266 L C 2.432 179.290 176.870 -0.020 0.000 1.077 266 L CA 1.695 56.442 54.840 -0.155 0.000 0.747 266 L CB -0.621 41.349 42.059 -0.148 0.000 0.896 266 L HN -0.038 nan 8.230 nan 0.000 0.432 267 R N -0.425 120.075 120.500 -0.001 0.000 2.075 267 R HA -0.195 4.144 4.340 -0.002 0.000 0.232 267 R C 2.457 178.734 176.300 -0.038 0.000 1.126 267 R CA 1.710 57.831 56.100 0.035 0.000 0.963 267 R CB -0.216 30.138 30.300 0.091 0.000 0.858 267 R HN 0.394 nan 8.270 nan 0.000 0.435 268 K N -0.770 119.543 120.400 -0.145 0.000 2.097 268 K HA -0.158 4.161 4.320 -0.002 0.000 0.205 268 K C 1.181 177.602 176.600 -0.299 0.000 1.050 268 K CA 1.485 57.594 56.287 -0.296 0.000 0.938 268 K CB 0.024 32.213 32.500 -0.518 0.000 0.718 268 K HN 0.314 nan 8.250 nan 0.000 0.442 269 Y N 0.231 120.582 120.300 0.085 0.000 2.507 269 Y HA 0.092 4.642 4.550 -0.001 0.000 0.263 269 Y C 2.103 178.110 175.900 0.177 0.000 1.093 269 Y CA -0.031 58.170 58.100 0.168 0.000 1.285 269 Y CB 0.226 38.817 38.460 0.219 0.000 1.115 269 Y HN 0.047 nan 8.280 nan 0.000 0.533 270 R N 0.753 121.401 120.500 0.247 0.000 2.170 270 R HA -0.170 4.170 4.340 -0.002 0.000 0.242 270 R C 0.857 177.277 176.300 0.201 0.000 1.145 270 R CA 1.852 58.099 56.100 0.245 0.000 0.984 270 R CB -0.330 30.081 30.300 0.185 0.000 0.869 270 R HN 0.235 nan 8.270 nan 0.000 0.455 271 E N 0.407 120.630 120.200 0.038 0.000 2.472 271 E HA 0.021 4.370 4.350 -0.002 0.000 0.196 271 E C 1.105 177.533 176.600 -0.286 0.000 1.033 271 E CA 0.340 56.573 56.400 -0.278 0.000 0.886 271 E CB 0.574 30.148 29.700 -0.209 0.000 0.944 271 E HN 0.455 nan 8.360 nan 0.000 0.492 272 K N -0.632 119.783 120.400 0.025 0.000 2.287 272 K HA 0.076 4.395 4.320 -0.002 0.000 0.199 272 K C 0.015 176.509 176.600 -0.177 0.000 1.061 272 K CA 0.466 56.692 56.287 -0.101 0.000 0.976 272 K CB 0.576 32.959 32.500 -0.195 0.000 0.898 272 K HN -0.093 nan 8.250 nan 0.000 0.492 273 Y N -1.511 118.978 120.300 0.315 0.000 2.693 273 Y HA 0.300 4.849 4.550 -0.001 0.000 0.331 273 Y C -0.639 175.370 175.900 0.180 0.000 1.092 273 Y CA -1.398 56.802 58.100 0.166 0.000 1.131 273 Y CB 1.186 39.691 38.460 0.075 0.000 1.318 273 Y HN -0.173 nan 8.280 nan 0.000 0.510 274 C N 2.138 121.587 119.300 0.249 0.000 2.145 274 C HA 0.616 5.075 4.460 -0.002 0.000 0.374 274 C C 0.028 175.184 174.990 0.276 0.000 1.035 274 C CA 0.220 59.349 59.018 0.186 0.000 1.431 274 C CB -2.196 25.599 27.740 0.091 0.000 1.789 274 C HN 0.691 nan 8.230 nan 0.000 0.483 275 T N 4.287 119.056 114.554 0.359 0.000 2.883 275 T HA 0.832 5.181 4.350 -0.002 0.000 0.301 275 T C -1.061 173.937 174.700 0.496 0.000 1.158 275 T CA -0.363 61.968 62.100 0.385 0.000 1.007 275 T CB 1.334 70.414 68.868 0.352 0.000 1.186 275 T HN 0.909 nan 8.240 nan 0.000 0.499 276 F N 1.188 121.303 119.950 0.275 0.000 2.713 276 F HA 0.649 5.175 4.527 -0.002 0.000 0.311 276 F C -1.509 174.402 175.800 0.185 0.000 1.141 276 F CA -1.159 56.983 58.000 0.238 0.000 0.939 276 F CB 1.337 40.577 39.000 0.400 0.000 1.325 276 F HN 0.476 nan 8.300 nan 0.000 0.453 277 N N 1.942 120.707 118.700 0.108 0.000 2.443 277 N HA 0.151 4.890 4.740 -0.002 0.000 0.269 277 N C -0.215 175.324 175.510 0.049 0.000 0.985 277 N CA -0.160 52.856 53.050 -0.057 0.000 0.921 277 N CB 1.631 40.035 38.487 -0.139 0.000 1.195 277 N HN 0.943 nan 8.380 nan 0.000 0.492 278 D N 2.288 122.684 120.400 -0.006 0.000 2.144 278 D HA -0.125 4.514 4.640 -0.002 0.000 0.199 278 D C 0.621 176.980 176.300 0.099 0.000 0.984 278 D CA 1.348 55.452 54.000 0.174 0.000 0.834 278 D CB 0.388 41.221 40.800 0.054 0.000 0.955 278 D HN 0.564 nan 8.370 nan 0.000 0.465 279 D N -0.727 119.681 120.400 0.014 0.000 2.277 279 D HA -0.023 4.616 4.640 -0.002 0.000 0.208 279 D C 2.047 178.309 176.300 -0.062 0.000 0.962 279 D CA 0.415 54.408 54.000 -0.012 0.000 0.865 279 D CB 0.503 41.285 40.800 -0.030 0.000 0.939 279 D HN 0.391 nan 8.370 nan 0.000 0.510 280 I N 0.256 120.750 120.570 -0.126 0.000 2.685 280 I HA -0.123 4.046 4.170 -0.002 0.000 0.251 280 I C 2.239 178.270 176.117 -0.144 0.000 1.102 280 I CA 0.467 61.667 61.300 -0.167 0.000 1.442 280 I CB 0.083 37.902 38.000 -0.301 0.000 1.194 280 I HN -0.210 nan 8.210 nan 0.000 0.448 281 Q N 0.602 120.259 119.800 -0.238 0.000 2.165 281 Q HA 0.059 4.398 4.340 -0.002 0.000 0.197 281 Q C 2.256 177.962 176.000 -0.491 0.000 0.952 281 Q CA 1.164 56.623 55.803 -0.573 0.000 0.848 281 Q CB -0.199 27.825 28.738 -1.190 0.000 0.931 281 Q HN 0.538 nan 8.270 nan 0.000 0.470 282 G N 0.529 109.257 108.800 -0.120 0.000 2.404 282 G HA2 -0.231 3.729 3.960 -0.002 0.000 0.215 282 G HA3 -0.231 3.729 3.960 -0.002 0.000 0.215 282 G C 1.407 176.406 174.900 0.164 0.000 1.174 282 G CA 1.355 46.567 45.100 0.187 0.000 0.780 282 G HN 0.236 nan 8.290 nan 0.000 0.537 283 T N 1.671 116.295 114.554 0.118 0.000 2.833 283 T HA 0.052 4.401 4.350 -0.002 0.000 0.269 283 T C 2.784 177.555 174.700 0.119 0.000 1.054 283 T CA 1.354 63.526 62.100 0.120 0.000 1.135 283 T CB -0.308 68.616 68.868 0.092 0.000 0.869 283 T HN 0.372 nan 8.240 nan 0.000 0.466 284 A N 1.563 124.424 122.820 0.069 0.000 1.883 284 A HA 0.095 4.414 4.320 -0.002 0.000 0.217 284 A C 2.646 180.312 177.584 0.137 0.000 1.186 284 A CA 1.887 53.976 52.037 0.087 0.000 0.624 284 A CB -1.112 17.899 19.000 0.018 0.000 0.822 284 A HN 0.513 nan 8.150 nan 0.000 0.444 285 A N -0.689 122.220 122.820 0.148 0.000 1.930 285 A HA 0.057 4.376 4.320 -0.002 0.000 0.217 285 A C 2.208 179.910 177.584 0.198 0.000 1.175 285 A CA 1.713 53.870 52.037 0.201 0.000 0.627 285 A CB -0.801 18.376 19.000 0.295 0.000 0.815 285 A HN 0.405 nan 8.150 nan 0.000 0.443 286 V N -0.160 119.870 119.914 0.194 0.000 2.358 286 V HA -0.193 3.926 4.120 -0.002 0.000 0.246 286 V C 3.025 179.295 176.094 0.293 0.000 1.047 286 V CA 1.771 64.186 62.300 0.191 0.000 1.035 286 V CB -1.325 30.555 31.823 0.094 0.000 0.658 286 V HN 0.588 nan 8.190 nan 0.000 0.452 287 A N 0.225 123.209 122.820 0.273 0.000 1.877 287 A HA -0.210 4.109 4.320 -0.002 0.000 0.216 287 A C 2.188 179.993 177.584 0.369 0.000 1.186 287 A CA 2.154 54.423 52.037 0.387 0.000 0.620 287 A CB -0.667 18.547 19.000 0.357 0.000 0.822 287 A HN 0.453 nan 8.150 nan 0.000 0.443 288 L N -0.148 121.223 121.223 0.247 0.000 2.079 288 L HA -0.109 4.230 4.340 -0.002 0.000 0.210 288 L C 2.635 179.598 176.870 0.154 0.000 1.081 288 L CA 2.217 57.162 54.840 0.176 0.000 0.752 288 L CB -0.760 41.386 42.059 0.145 0.000 0.896 288 L HN 0.361 nan 8.230 nan 0.000 0.433 289 A N -0.465 122.465 122.820 0.183 0.000 1.908 289 A HA -0.115 4.204 4.320 -0.002 0.000 0.218 289 A C 2.365 179.961 177.584 0.020 0.000 1.181 289 A CA 1.700 53.815 52.037 0.130 0.000 0.627 289 A CB -1.635 17.492 19.000 0.211 0.000 0.818 289 A HN 0.537 nan 8.150 nan 0.000 0.445 290 G N -0.454 108.382 108.800 0.060 0.000 2.418 290 G HA2 -0.097 3.862 3.960 -0.002 0.000 0.217 290 G HA3 -0.097 3.862 3.960 -0.002 0.000 0.217 290 G C 1.349 176.312 174.900 0.105 0.000 1.158 290 G CA 1.154 46.158 45.100 -0.160 0.000 0.771 290 G HN 0.336 nan 8.290 nan 0.000 0.545 291 L N 0.081 121.398 121.223 0.157 0.000 2.046 291 L HA 0.030 4.369 4.340 -0.002 0.000 0.208 291 L C 2.743 179.597 176.870 -0.028 0.000 1.077 291 L CA 0.919 55.751 54.840 -0.014 0.000 0.747 291 L CB -1.036 40.982 42.059 -0.068 0.000 0.896 291 L HN 0.094 nan 8.230 nan 0.000 0.432 292 L N -0.793 120.430 121.223 -0.000 0.000 2.191 292 L HA -0.094 4.245 4.340 -0.002 0.000 0.212 292 L C 2.509 179.370 176.870 -0.015 0.000 1.103 292 L CA 1.703 56.544 54.840 0.001 0.000 0.769 292 L CB -1.466 40.603 42.059 0.016 0.000 0.908 292 L HN 0.234 nan 8.230 nan 0.000 0.438 293 A N -0.959 121.833 122.820 -0.048 0.000 1.898 293 A HA 0.053 4.372 4.320 -0.002 0.000 0.214 293 A C 2.497 180.063 177.584 -0.031 0.000 1.183 293 A CA 1.193 53.191 52.037 -0.064 0.000 0.622 293 A CB -0.684 18.223 19.000 -0.155 0.000 0.824 293 A HN 0.327 nan 8.150 nan 0.000 0.444 294 A N -0.532 122.276 122.820 -0.020 0.000 1.902 294 A HA -0.219 4.100 4.320 -0.002 0.000 0.217 294 A C 2.138 179.723 177.584 0.001 0.000 1.181 294 A CA 2.124 54.161 52.037 0.000 0.000 0.623 294 A CB -0.581 18.413 19.000 -0.009 0.000 0.818 294 A HN 0.528 nan 8.150 nan 0.000 0.443 295 Q N -0.064 119.732 119.800 -0.006 0.000 2.234 295 Q HA -0.158 4.181 4.340 -0.002 0.000 0.206 295 Q C 1.687 177.708 176.000 0.035 0.000 0.980 295 Q CA 1.718 57.538 55.803 0.029 0.000 0.869 295 Q CB -0.161 28.606 28.738 0.048 0.000 0.912 295 Q HN 0.455 nan 8.270 nan 0.000 0.436 296 K N -0.443 119.969 120.400 0.021 0.000 2.283 296 K HA -0.044 4.275 4.320 -0.002 0.000 0.202 296 K C 1.848 178.463 176.600 0.024 0.000 1.048 296 K CA 1.240 57.540 56.287 0.021 0.000 0.948 296 K CB -0.072 32.434 32.500 0.010 0.000 0.742 296 K HN 0.412 nan 8.250 nan 0.000 0.458 297 V N -2.992 116.938 119.914 0.027 0.000 3.085 297 V HA 0.128 4.247 4.120 -0.002 0.000 0.245 297 V C 1.831 177.946 176.094 0.035 0.000 1.114 297 V CA 0.334 62.653 62.300 0.033 0.000 1.108 297 V CB -0.173 31.675 31.823 0.042 0.000 0.798 297 V HN 0.013 nan 8.190 nan 0.000 0.471 298 I N 0.734 121.325 120.570 0.035 0.000 2.585 298 I HA 0.070 4.239 4.170 -0.002 0.000 0.254 298 I C 1.467 177.609 176.117 0.041 0.000 1.129 298 I CA 0.894 62.216 61.300 0.037 0.000 1.455 298 I CB -0.144 37.877 38.000 0.035 0.000 1.111 298 I HN 0.375 nan 8.210 nan 0.000 0.433 299 S N 1.639 117.368 115.700 0.048 0.000 3.631 299 S HA -0.221 4.248 4.470 -0.002 0.000 0.366 299 S C 0.373 174.999 174.600 0.044 0.000 0.993 299 S CA 0.656 58.883 58.200 0.045 0.000 1.167 299 S CB -1.397 61.820 63.200 0.029 0.000 0.909 299 S HN 0.490 nan 8.310 nan 0.000 0.478 300 K N 1.275 121.723 120.400 0.079 0.000 2.218 300 K HA 0.345 4.664 4.320 -0.002 0.000 0.276 300 K C -2.718 173.855 176.600 -0.046 0.000 1.022 300 K CA -2.013 54.306 56.287 0.053 0.000 0.946 300 K CB 0.524 33.103 32.500 0.132 0.000 1.000 300 K HN -0.080 nan 8.250 nan 0.000 0.468 301 P HA -0.045 nan 4.420 nan 0.000 0.266 301 P C 0.401 177.489 177.300 -0.353 0.000 1.215 301 P CA -0.060 62.950 63.100 -0.150 0.000 0.763 301 P CB 0.427 32.074 31.700 -0.088 0.000 0.806 302 I N 4.391 124.719 120.570 -0.402 0.000 2.290 302 I HA -0.343 3.826 4.170 -0.002 0.000 0.253 302 I C 1.819 177.714 176.117 -0.370 0.000 1.112 302 I CA 2.247 63.202 61.300 -0.575 0.000 1.377 302 I CB -0.613 37.267 38.000 -0.201 0.000 1.060 302 I HN 0.348 nan 8.210 nan 0.000 0.428 303 S N 0.651 116.232 115.700 -0.197 0.000 2.383 303 S HA -0.189 4.280 4.470 -0.002 0.000 0.227 303 S C 1.472 176.036 174.600 -0.060 0.000 1.026 303 S CA 0.961 59.108 58.200 -0.089 0.000 0.981 303 S CB -0.873 62.293 63.200 -0.056 0.000 0.818 303 S HN 0.788 nan 8.310 nan 0.000 0.472 304 E N 0.589 120.734 120.200 -0.091 0.000 2.349 304 E HA 0.161 4.511 4.350 -0.002 0.000 0.201 304 E C -0.615 176.029 176.600 0.073 0.000 1.087 304 E CA -0.440 55.952 56.400 -0.012 0.000 1.128 304 E CB -0.531 29.161 29.700 -0.012 0.000 1.188 304 E HN 0.675 nan 8.360 nan 0.000 0.445 305 H N 1.530 120.612 119.070 0.020 0.000 2.668 305 H HA 0.268 4.823 4.556 -0.001 0.000 0.303 305 H C -0.722 174.633 175.328 0.044 0.000 1.074 305 H CA -0.651 55.408 56.048 0.019 0.000 1.406 305 H CB 1.046 30.823 29.762 0.027 0.000 1.442 305 H HN -0.055 nan 8.280 nan 0.000 0.482 306 K N 4.634 125.120 120.400 0.143 0.000 2.579 306 K HA 0.344 4.663 4.320 -0.002 0.000 0.250 306 K C -1.569 175.069 176.600 0.064 0.000 0.952 306 K CA -0.353 56.012 56.287 0.129 0.000 0.857 306 K CB 0.559 33.105 32.500 0.077 0.000 1.123 306 K HN 0.479 nan 8.250 nan 0.000 0.433 307 I N 4.946 125.582 120.570 0.110 0.000 2.354 307 I HA 0.372 4.541 4.170 -0.002 0.000 0.292 307 I C -0.940 175.221 176.117 0.073 0.000 0.989 307 I CA -1.286 60.002 61.300 -0.019 0.000 1.188 307 I CB 1.424 39.368 38.000 -0.093 0.000 1.342 307 I HN 0.404 nan 8.210 nan 0.000 0.457 308 L N 7.565 128.768 121.223 -0.033 0.000 2.325 308 L HA 0.571 4.910 4.340 -0.002 0.000 0.281 308 L C -1.303 175.636 176.870 0.115 0.000 1.004 308 L CA -0.011 54.914 54.840 0.141 0.000 0.823 308 L CB 0.870 42.968 42.059 0.065 0.000 1.236 308 L HN 0.248 nan 8.230 nan 0.000 0.415 309 F N 5.072 125.218 119.950 0.327 0.000 2.404 309 F HA 0.475 5.001 4.527 -0.002 0.000 0.339 309 F C -0.090 175.924 175.800 0.356 0.000 1.105 309 F CA -0.400 57.768 58.000 0.279 0.000 1.087 309 F CB 1.625 40.722 39.000 0.162 0.000 1.143 309 F HN 0.368 nan 8.300 nan 0.000 0.491 310 L N 3.808 125.252 121.223 0.368 0.000 2.272 310 L HA 0.792 5.131 4.340 -0.002 0.000 0.284 310 L C -0.118 176.845 176.870 0.155 0.000 1.045 310 L CA 0.206 55.099 54.840 0.089 0.000 0.842 310 L CB 0.182 42.018 42.059 -0.372 0.000 1.224 310 L HN 0.734 nan 8.230 nan 0.000 0.430 311 G N 3.594 112.526 108.800 0.221 0.000 2.576 311 G HA2 0.409 4.368 3.960 -0.002 0.000 0.686 311 G HA3 0.409 4.368 3.960 -0.002 0.000 0.686 311 G C -0.622 174.357 174.900 0.131 0.000 1.242 311 G CA -0.377 44.803 45.100 0.134 0.000 0.819 311 G HN 1.405 nan 8.290 nan 0.000 0.655 312 A N 0.457 123.313 122.820 0.061 0.000 3.106 312 A HA 0.833 5.152 4.320 -0.002 0.000 0.227 312 A C 0.918 178.500 177.584 -0.003 0.000 0.920 312 A CA 0.948 52.985 52.037 -0.000 0.000 1.088 312 A CB -0.026 18.995 19.000 0.034 0.000 1.233 312 A HN 2.251 nan 8.150 nan 0.000 0.503 313 G N -0.554 108.261 108.800 0.025 0.000 3.194 313 G HA2 0.411 4.371 3.960 -0.002 0.000 0.160 313 G HA3 0.411 4.371 3.960 -0.002 0.000 0.160 313 G C 0.618 175.635 174.900 0.196 0.000 1.267 313 G CA 0.256 45.420 45.100 0.105 0.000 0.962 313 G HN 0.277 nan 8.290 nan 0.000 0.612 314 E N -0.085 120.228 120.200 0.189 0.000 2.033 314 E HA -0.204 4.145 4.350 -0.002 0.000 0.199 314 E C 2.777 179.391 176.600 0.024 0.000 1.011 314 E CA 1.468 57.892 56.400 0.040 0.000 0.815 314 E CB -0.232 29.369 29.700 -0.165 0.000 0.755 314 E HN 0.356 nan 8.360 nan 0.000 0.451 315 A N 1.281 124.108 122.820 0.011 0.000 1.872 315 A HA -0.032 4.287 4.320 -0.002 0.000 0.214 315 A C 2.392 179.964 177.584 -0.020 0.000 1.187 315 A CA 1.584 53.632 52.037 0.019 0.000 0.614 315 A CB -0.713 18.320 19.000 0.055 0.000 0.826 315 A HN 0.294 nan 8.150 nan 0.000 0.442 316 A N -0.013 122.753 122.820 -0.089 0.000 1.865 316 A HA -0.121 4.198 4.320 -0.002 0.000 0.217 316 A C 2.190 179.415 177.584 -0.598 0.000 1.191 316 A CA 1.684 53.448 52.037 -0.456 0.000 0.623 316 A CB -0.755 17.997 19.000 -0.412 0.000 0.826 316 A HN 0.475 nan 8.150 nan 0.000 0.444 317 L N -0.846 120.208 121.223 -0.282 0.000 2.083 317 L HA -0.110 4.229 4.340 -0.002 0.000 0.209 317 L C 2.843 179.668 176.870 -0.075 0.000 1.083 317 L CA 1.020 55.746 54.840 -0.190 0.000 0.752 317 L CB -0.850 41.191 42.059 -0.030 0.000 0.899 317 L HN 0.517 nan 8.230 nan 0.000 0.433 318 G N 0.492 109.289 108.800 -0.006 0.000 2.421 318 G HA2 -0.205 3.754 3.960 -0.002 0.000 0.216 318 G HA3 -0.205 3.754 3.960 -0.002 0.000 0.216 318 G C 1.572 176.475 174.900 0.005 0.000 1.171 318 G CA 0.704 45.811 45.100 0.012 0.000 0.775 318 G HN 0.285 nan 8.290 nan 0.000 0.543 319 I N 1.414 121.982 120.570 -0.003 0.000 2.252 319 I HA -0.124 4.045 4.170 -0.002 0.000 0.245 319 I C 3.302 179.465 176.117 0.076 0.000 1.102 319 I CA 0.888 62.248 61.300 0.099 0.000 1.385 319 I CB -0.299 37.866 38.000 0.276 0.000 1.064 319 I HN 0.233 nan 8.210 nan 0.000 0.414 320 A N 1.165 123.882 122.820 -0.172 0.000 1.883 320 A HA -0.235 4.085 4.320 -0.002 0.000 0.217 320 A C 2.147 179.745 177.584 0.024 0.000 1.186 320 A CA 1.981 53.865 52.037 -0.255 0.000 0.624 320 A CB -0.842 17.483 19.000 -1.125 0.000 0.822 320 A HN 0.448 nan 8.150 nan 0.000 0.444 321 N N -0.593 118.160 118.700 0.089 0.000 2.166 321 N HA -0.133 4.606 4.740 -0.002 0.000 0.186 321 N C 1.580 177.195 175.510 0.175 0.000 1.019 321 N CA 1.429 54.615 53.050 0.226 0.000 0.856 321 N CB -0.241 38.372 38.487 0.210 0.000 0.993 321 N HN 0.351 nan 8.380 nan 0.000 0.426 322 L N 1.420 122.724 121.223 0.135 0.000 2.109 322 L HA 0.072 4.412 4.340 -0.002 0.000 0.207 322 L C 2.076 179.030 176.870 0.139 0.000 1.086 322 L CA 0.853 55.774 54.840 0.135 0.000 0.760 322 L CB -0.311 41.823 42.059 0.125 0.000 0.910 322 L HN 0.089 nan 8.230 nan 0.000 0.437 323 I N -1.643 119.017 120.570 0.149 0.000 2.226 323 I HA -0.211 3.958 4.170 -0.002 0.000 0.245 323 I C 1.243 177.456 176.117 0.159 0.000 1.100 323 I CA 0.219 61.607 61.300 0.146 0.000 1.374 323 I CB -0.207 37.889 38.000 0.159 0.000 1.057 323 I HN -0.100 nan 8.210 nan 0.000 0.413 329 E N 0.784 121.023 120.200 0.066 0.000 2.516 329 E HA -0.064 4.285 4.350 -0.002 0.000 0.199 329 E C 0.898 177.530 176.600 0.054 0.000 1.069 329 E CA 0.775 57.211 56.400 0.061 0.000 0.876 329 E CB 0.113 29.852 29.700 0.066 0.000 0.843 329 E HN 0.567 nan 8.360 nan 0.000 0.530 330 N N -0.793 117.941 118.700 0.056 0.000 2.291 330 N HA 0.110 4.849 4.740 -0.002 0.000 0.244 330 N C 0.375 175.909 175.510 0.039 0.000 1.216 330 N CA 0.682 53.762 53.050 0.049 0.000 0.879 330 N CB 1.588 40.110 38.487 0.059 0.000 1.167 330 N HN 0.313 nan 8.380 nan 0.000 0.515 331 G N 0.376 109.199 108.800 0.037 0.000 2.953 331 G HA2 -0.228 3.731 3.960 -0.002 0.000 0.201 331 G HA3 -0.228 3.731 3.960 -0.002 0.000 0.201 331 G C -0.216 174.701 174.900 0.029 0.000 1.501 331 G CA -0.533 44.584 45.100 0.028 0.000 1.094 331 G HN 0.143 nan 8.290 nan 0.000 0.555 332 L N 2.780 124.024 121.223 0.034 0.000 2.503 332 L HA 0.448 4.787 4.340 -0.002 0.000 0.287 332 L C 1.580 178.472 176.870 0.037 0.000 1.252 332 L CA 0.876 55.737 54.840 0.035 0.000 0.835 332 L CB 0.410 42.498 42.059 0.048 0.000 1.099 332 L HN 0.851 nan 8.230 nan 0.000 0.516 333 S N -0.161 115.557 115.700 0.030 0.000 2.672 333 S HA 0.276 4.745 4.470 -0.002 0.000 0.276 333 S C 0.910 175.528 174.600 0.030 0.000 1.207 333 S CA -0.379 57.836 58.200 0.026 0.000 1.002 333 S CB 1.040 64.248 63.200 0.014 0.000 0.998 333 S HN 0.667 nan 8.310 nan 0.000 0.542 334 E N 0.294 120.509 120.200 0.025 0.000 2.097 334 E HA -0.295 4.054 4.350 -0.002 0.000 0.196 334 E C 1.908 178.510 176.600 0.003 0.000 1.000 334 E CA 1.547 57.961 56.400 0.023 0.000 0.804 334 E CB -0.187 29.518 29.700 0.009 0.000 0.740 334 E HN 0.740 nan 8.360 nan 0.000 0.454 335 Q N 0.794 120.588 119.800 -0.010 0.000 2.119 335 Q HA -0.197 4.142 4.340 -0.002 0.000 0.201 335 Q C 1.765 177.761 176.000 -0.008 0.000 0.972 335 Q CA 2.174 57.962 55.803 -0.025 0.000 0.847 335 Q CB -0.063 28.659 28.738 -0.027 0.000 0.903 335 Q HN 0.580 nan 8.270 nan 0.000 0.433 336 E N -1.411 118.794 120.200 0.009 0.000 2.285 336 E HA -0.005 4.344 4.350 -0.002 0.000 0.194 336 E C 1.637 178.265 176.600 0.046 0.000 0.997 336 E CA 0.737 57.147 56.400 0.017 0.000 0.845 336 E CB -0.150 29.560 29.700 0.016 0.000 0.782 336 E HN 0.320 nan 8.360 nan 0.000 0.491 337 A N 1.540 124.401 122.820 0.068 0.000 1.930 337 A HA -0.124 4.195 4.320 -0.002 0.000 0.215 337 A C 2.138 179.822 177.584 0.167 0.000 1.176 337 A CA 1.024 53.131 52.037 0.117 0.000 0.632 337 A CB -0.296 18.779 19.000 0.126 0.000 0.819 337 A HN 0.242 nan 8.150 nan 0.000 0.445 338 Q N -0.123 119.756 119.800 0.131 0.000 2.167 338 Q HA -0.096 4.243 4.340 -0.002 0.000 0.202 338 Q C 1.693 177.827 176.000 0.223 0.000 0.970 338 Q CA 1.289 57.197 55.803 0.175 0.000 0.855 338 Q CB -0.177 28.485 28.738 -0.126 0.000 0.911 338 Q HN 0.579 nan 8.270 nan 0.000 0.438 339 K N 0.861 121.303 120.400 0.069 0.000 2.362 339 K HA -0.071 4.248 4.320 -0.002 0.000 0.200 339 K C 1.419 177.930 176.600 -0.147 0.000 1.046 339 K CA 0.707 56.887 56.287 -0.178 0.000 0.952 339 K CB 0.153 32.543 32.500 -0.184 0.000 0.753 339 K HN 0.095 nan 8.250 nan 0.000 0.466 340 K N 0.349 120.804 120.400 0.092 0.000 2.487 340 K HA 0.112 4.431 4.320 -0.002 0.000 0.192 340 K C 0.158 176.942 176.600 0.307 0.000 1.027 340 K CA 0.363 56.766 56.287 0.193 0.000 1.054 340 K CB 0.309 32.924 32.500 0.191 0.000 0.824 340 K HN 0.072 nan 8.250 nan 0.000 0.510 341 I N 0.725 121.504 120.570 0.348 0.000 2.389 341 I HA 0.238 4.407 4.170 -0.002 0.000 0.288 341 I C -0.767 175.642 176.117 0.486 0.000 0.999 341 I CA -0.880 60.694 61.300 0.457 0.000 1.129 341 I CB 0.918 39.195 38.000 0.462 0.000 1.288 341 I HN -0.052 nan 8.210 nan 0.000 0.444 345 D N 4.253 124.669 120.400 0.027 0.000 2.595 345 D HA 0.249 4.888 4.640 -0.002 0.000 0.268 345 D C 0.848 177.081 176.300 -0.113 0.000 1.181 345 D CA -0.333 53.678 54.000 0.017 0.000 1.085 345 D CB 0.498 41.305 40.800 0.012 0.000 1.186 345 D HN 0.575 nan 8.370 nan 0.000 0.621 346 K N -0.966 119.316 120.400 -0.197 0.000 2.360 346 K HA -0.154 4.165 4.320 -0.002 0.000 0.201 346 K C 1.127 177.479 176.600 -0.413 0.000 1.046 346 K CA 1.214 57.307 56.287 -0.323 0.000 0.945 346 K CB -0.534 31.675 32.500 -0.484 0.000 0.750 346 K HN 0.457 nan 8.250 nan 0.000 0.464 347 Y N 0.761 120.997 120.300 -0.106 0.000 2.449 347 Y HA 0.235 4.784 4.550 -0.002 0.000 0.254 347 Y C 1.171 176.934 175.900 -0.228 0.000 1.140 347 Y CA -0.102 57.928 58.100 -0.116 0.000 1.272 347 Y CB 1.366 39.780 38.460 -0.078 0.000 1.114 347 Y HN 0.365 nan 8.280 nan 0.000 0.525 348 G N 0.409 108.966 108.800 -0.404 0.000 2.331 348 G HA2 -0.078 3.882 3.960 -0.002 0.000 0.479 348 G HA3 -0.078 3.882 3.960 -0.002 0.000 0.479 348 G C -1.747 172.657 174.900 -0.828 0.000 1.262 348 G CA -1.131 43.455 45.100 -0.858 0.000 1.029 348 G HN -0.026 nan 8.290 nan 0.000 0.487 349 L N 0.524 121.469 121.223 -0.462 0.000 2.485 349 L HA 0.472 4.811 4.340 -0.002 0.000 0.275 349 L C 0.888 177.815 176.870 0.096 0.000 1.207 349 L CA -0.182 54.698 54.840 0.066 0.000 0.855 349 L CB 0.313 42.563 42.059 0.319 0.000 1.114 349 L HN 0.471 nan 8.230 nan 0.000 0.485 350 L N 6.999 128.328 121.223 0.177 0.000 2.385 350 L HA 0.277 4.616 4.340 -0.002 0.000 0.285 350 L C -0.359 176.584 176.870 0.123 0.000 1.125 350 L CA -0.432 54.477 54.840 0.115 0.000 0.890 350 L CB 0.097 42.212 42.059 0.094 0.000 1.251 350 L HN 0.528 nan 8.230 nan 0.000 0.445 351 V N 0.590 120.566 119.914 0.103 0.000 2.823 351 V HA 0.461 4.580 4.120 -0.002 0.000 0.312 351 V C 0.090 176.211 176.094 0.045 0.000 1.072 351 V CA -1.402 60.963 62.300 0.108 0.000 0.937 351 V CB 1.907 33.831 31.823 0.168 0.000 1.013 351 V HN 0.558 nan 8.190 nan 0.000 0.430 352 K N 2.413 122.830 120.400 0.028 0.000 2.511 352 K HA 0.361 4.681 4.320 -0.002 0.000 0.280 352 K C 1.241 177.848 176.600 0.012 0.000 1.008 352 K CA 1.241 57.531 56.287 0.005 0.000 1.050 352 K CB 0.184 32.686 32.500 0.003 0.000 0.889 352 K HN 1.662 nan 8.250 nan 0.000 0.484 353 G N 2.290 111.088 108.800 -0.004 0.000 2.148 353 G HA2 -0.345 3.614 3.960 -0.002 0.000 0.254 353 G HA3 -0.345 3.614 3.960 -0.002 0.000 0.254 353 G C 0.082 174.979 174.900 -0.005 0.000 0.981 353 G CA 0.626 45.723 45.100 -0.005 0.000 0.670 353 G HN 0.738 nan 8.290 nan 0.000 0.528 354 R N -0.484 120.014 120.500 -0.004 0.000 2.707 354 R HA 0.608 4.947 4.340 -0.002 0.000 0.270 354 R C 1.432 177.710 176.300 -0.036 0.000 1.083 354 R CA -0.066 56.029 56.100 -0.008 0.000 1.182 354 R CB 0.595 30.896 30.300 0.002 0.000 1.084 354 R HN -0.046 nan 8.270 nan 0.000 0.528 355 K N 0.648 121.018 120.400 -0.051 0.000 2.097 355 K HA -0.010 4.309 4.320 -0.002 0.000 0.205 355 K C 0.833 177.349 176.600 -0.140 0.000 1.050 355 K CA 1.376 57.612 56.287 -0.084 0.000 0.938 355 K CB -0.416 32.033 32.500 -0.085 0.000 0.718 355 K HN 0.721 nan 8.250 nan 0.000 0.442 356 A N 3.086 125.799 122.820 -0.178 0.000 2.425 356 A HA 0.146 4.465 4.320 -0.002 0.000 0.249 356 A C 0.119 177.617 177.584 -0.143 0.000 1.084 356 A CA -0.486 51.381 52.037 -0.285 0.000 0.781 356 A CB 0.249 19.054 19.000 -0.326 0.000 1.019 356 A HN 0.049 nan 8.150 nan 0.000 0.490 357 K N 1.084 121.401 120.400 -0.138 0.000 2.494 357 K HA 0.140 4.459 4.320 -0.002 0.000 0.273 357 K C -0.426 176.162 176.600 -0.021 0.000 0.970 357 K CA 0.323 56.572 56.287 -0.063 0.000 0.963 357 K CB 0.201 32.674 32.500 -0.044 0.000 0.913 357 K HN 0.461 nan 8.250 nan 0.000 0.502 358 I N 2.896 123.453 120.570 -0.022 0.000 2.531 358 I HA 0.023 4.192 4.170 -0.002 0.000 0.283 358 I C -0.192 175.911 176.117 -0.024 0.000 1.083 358 I CA -1.126 60.165 61.300 -0.015 0.000 1.071 358 I CB 1.367 39.350 38.000 -0.028 0.000 1.210 358 I HN 0.668 nan 8.210 nan 0.000 0.450 359 D N 3.701 124.094 120.400 -0.012 0.000 2.411 359 D HA 0.208 4.847 4.640 -0.002 0.000 0.251 359 D C 0.950 177.217 176.300 -0.055 0.000 1.201 359 D CA -0.426 53.564 54.000 -0.017 0.000 0.996 359 D CB 0.851 41.665 40.800 0.024 0.000 1.101 359 D HN 0.246 nan 8.370 nan 0.000 0.504 360 S N -0.816 114.817 115.700 -0.112 0.000 2.374 360 S HA -0.206 4.263 4.470 -0.002 0.000 0.227 360 S C 1.710 176.158 174.600 -0.253 0.000 1.037 360 S CA 1.101 59.170 58.200 -0.218 0.000 1.024 360 S CB -0.756 62.248 63.200 -0.328 0.000 0.861 360 S HN 0.519 nan 8.310 nan 0.000 0.456 361 Y N 1.720 121.921 120.300 -0.166 0.000 2.274 361 Y HA -0.115 4.434 4.550 -0.001 0.000 0.290 361 Y C 2.638 178.498 175.900 -0.067 0.000 1.145 361 Y CA 1.004 59.000 58.100 -0.173 0.000 1.203 361 Y CB -0.269 37.952 38.460 -0.398 0.000 0.984 361 Y HN 0.345 nan 8.280 nan 0.000 0.533 362 Q N -0.359 119.483 119.800 0.070 0.000 2.269 362 Q HA -0.138 4.201 4.340 -0.002 0.000 0.201 362 Q C 2.199 178.203 176.000 0.008 0.000 0.946 362 Q CA 0.652 56.510 55.803 0.091 0.000 0.877 362 Q CB -0.087 28.674 28.738 0.038 0.000 0.963 362 Q HN 0.432 nan 8.270 nan 0.000 0.472 363 E N 1.880 122.033 120.200 -0.078 0.000 2.086 363 E HA -0.222 4.127 4.350 -0.002 0.000 0.205 363 E C -0.944 175.508 176.600 -0.245 0.000 1.027 363 E CA 1.876 58.189 56.400 -0.144 0.000 0.830 363 E CB -1.044 28.569 29.700 -0.145 0.000 0.751 363 E HN 0.226 nan 8.360 nan 0.000 0.456 364 P HA -0.123 nan 4.420 nan 0.000 0.220 364 P C 0.564 177.374 177.300 -0.818 0.000 1.144 364 P CA 1.332 64.061 63.100 -0.618 0.000 0.800 364 P CB -0.289 30.910 31.700 -0.834 0.000 0.772 365 F N -2.757 117.044 119.950 -0.247 0.000 2.661 365 F HA 0.199 4.725 4.527 -0.002 0.000 0.306 365 F C 0.578 175.928 175.800 -0.750 0.000 1.094 365 F CA -0.155 57.593 58.000 -0.420 0.000 1.254 365 F CB -0.314 38.578 39.000 -0.180 0.000 1.040 365 F HN -0.371 nan 8.300 nan 0.000 0.562 366 T N 1.718 115.983 114.554 -0.481 0.000 2.733 366 T HA 0.277 4.626 4.350 -0.002 0.000 0.294 366 T C -0.171 174.223 174.700 -0.510 0.000 0.956 366 T CA -0.273 61.596 62.100 -0.387 0.000 0.987 366 T CB 0.344 69.112 68.868 -0.166 0.000 0.920 366 T HN 0.083 nan 8.240 nan 0.000 0.470 367 H N 0.835 119.767 119.070 -0.230 0.000 2.630 367 H HA 0.447 5.003 4.556 -0.002 0.000 0.343 367 H C 0.312 175.595 175.328 -0.074 0.000 1.232 367 H CA -1.080 54.800 56.048 -0.280 0.000 1.294 367 H CB 0.883 30.204 29.762 -0.734 0.000 1.746 367 H HN 0.418 nan 8.280 nan 0.000 0.593 368 S N 0.584 116.360 115.700 0.127 0.000 2.516 368 S HA 0.242 4.712 4.470 -0.002 0.000 0.282 368 S C 0.447 175.181 174.600 0.223 0.000 1.286 368 S CA -0.578 57.702 58.200 0.132 0.000 1.066 368 S CB 0.257 63.519 63.200 0.103 0.000 0.884 368 S HN 0.721 nan 8.310 nan 0.000 0.491 369 A N 6.176 129.107 122.820 0.183 0.000 2.591 369 A HA 0.219 4.538 4.320 -0.002 0.000 0.244 369 A C -1.063 176.641 177.584 0.201 0.000 1.031 369 A CA -0.668 51.491 52.037 0.203 0.000 0.767 369 A CB -0.586 18.490 19.000 0.127 0.000 0.942 369 A HN 0.598 nan 8.150 nan 0.000 0.514 370 P HA 0.111 nan 4.420 nan 0.000 0.275 370 P C 0.498 177.843 177.300 0.075 0.000 1.270 370 P CA -0.183 62.996 63.100 0.132 0.000 0.791 370 P CB 0.596 32.315 31.700 0.032 0.000 1.089 371 E N -0.051 120.173 120.200 0.041 0.000 2.070 371 E HA -0.126 4.223 4.350 -0.002 0.000 0.197 371 E C 0.580 177.195 176.600 0.025 0.000 1.004 371 E CA 1.555 57.972 56.400 0.028 0.000 0.805 371 E CB -0.459 29.247 29.700 0.010 0.000 0.744 371 E HN 0.555 nan 8.360 nan 0.000 0.451 372 S N -0.161 115.548 115.700 0.015 0.000 2.502 372 S HA 0.474 4.943 4.470 -0.002 0.000 0.304 372 S C -0.332 174.286 174.600 0.030 0.000 1.097 372 S CA -1.038 57.174 58.200 0.019 0.000 1.045 372 S CB 1.408 64.611 63.200 0.004 0.000 1.019 372 S HN -0.001 nan 8.310 nan 0.000 0.481 373 I N 3.189 123.789 120.570 0.050 0.000 2.379 373 I HA 0.314 4.483 4.170 -0.002 0.000 0.290 373 I C -2.145 174.023 176.117 0.084 0.000 1.063 373 I CA -2.341 59.004 61.300 0.075 0.000 1.351 373 I CB -0.379 37.669 38.000 0.080 0.000 1.410 373 I HN 0.458 nan 8.210 nan 0.000 0.505 374 P HA 0.043 nan 4.420 nan 0.000 0.266 374 P C 0.429 177.858 177.300 0.216 0.000 1.195 374 P CA 0.154 63.335 63.100 0.134 0.000 0.768 374 P CB 1.029 32.816 31.700 0.146 0.000 0.838 375 D N 0.656 121.164 120.400 0.181 0.000 2.262 375 D HA -0.034 4.605 4.640 -0.002 0.000 0.212 375 D C 0.353 176.849 176.300 0.326 0.000 0.964 375 D CA 0.814 54.936 54.000 0.203 0.000 0.875 375 D CB 0.325 41.199 40.800 0.124 0.000 0.996 375 D HN 0.458 nan 8.370 nan 0.000 0.497 376 T N -3.700 111.004 114.554 0.251 0.000 2.910 376 T HA 0.244 4.593 4.350 -0.002 0.000 0.287 376 T C 0.636 175.263 174.700 -0.122 0.000 1.050 376 T CA -0.809 61.417 62.100 0.211 0.000 1.011 376 T CB 0.797 69.725 68.868 0.100 0.000 1.195 376 T HN -0.050 nan 8.240 nan 0.000 0.540 377 F N 0.654 120.280 119.950 -0.540 0.000 2.234 377 F HA 0.062 4.588 4.527 -0.001 0.000 0.299 377 F C 2.414 177.964 175.800 -0.416 0.000 1.087 377 F CA 1.720 59.199 58.000 -0.869 0.000 1.340 377 F CB -0.206 38.443 39.000 -0.585 0.000 1.031 377 F HN 0.896 nan 8.300 nan 0.000 0.500 378 E N -0.110 119.951 120.200 -0.232 0.000 2.110 378 E HA -0.227 4.122 4.350 -0.002 0.000 0.193 378 E C 1.654 178.094 176.600 -0.266 0.000 0.988 378 E CA 1.608 57.869 56.400 -0.230 0.000 0.804 378 E CB -0.190 29.456 29.700 -0.090 0.000 0.745 378 E HN 0.375 nan 8.360 nan 0.000 0.458 379 D N 0.308 120.588 120.400 -0.199 0.000 2.144 379 D HA -0.123 4.516 4.640 -0.002 0.000 0.200 379 D C 1.824 177.993 176.300 -0.218 0.000 0.978 379 D CA 1.251 55.161 54.000 -0.150 0.000 0.833 379 D CB -0.229 40.541 40.800 -0.051 0.000 0.961 379 D HN 0.299 nan 8.370 nan 0.000 0.470 380 A N 0.697 123.323 122.820 -0.323 0.000 1.969 380 A HA -0.107 4.212 4.320 -0.002 0.000 0.218 380 A C 2.516 179.822 177.584 -0.462 0.000 1.169 380 A CA 0.943 52.766 52.037 -0.357 0.000 0.635 380 A CB -0.569 18.185 19.000 -0.410 0.000 0.810 380 A HN 0.137 nan 8.150 nan 0.000 0.445 381 V N 0.882 120.447 119.914 -0.581 0.000 2.358 381 V HA -0.219 3.900 4.120 -0.002 0.000 0.246 381 V C 2.234 178.136 176.094 -0.320 0.000 1.047 381 V CA 2.007 64.011 62.300 -0.492 0.000 1.035 381 V CB -0.834 30.684 31.823 -0.509 0.000 0.658 381 V HN 0.554 nan 8.190 nan 0.000 0.452 382 N N 0.024 118.565 118.700 -0.265 0.000 2.188 382 N HA -0.007 4.732 4.740 -0.002 0.000 0.184 382 N C 1.785 177.188 175.510 -0.178 0.000 1.018 382 N CA 1.384 54.321 53.050 -0.189 0.000 0.858 382 N CB -0.078 38.321 38.487 -0.147 0.000 0.989 382 N HN 0.433 nan 8.380 nan 0.000 0.426 383 I N 0.538 120.988 120.570 -0.199 0.000 2.235 383 I HA -0.150 4.019 4.170 -0.002 0.000 0.241 383 I C 1.689 177.657 176.117 -0.249 0.000 1.085 383 I CA 0.684 61.870 61.300 -0.190 0.000 1.378 383 I CB -0.052 37.843 38.000 -0.175 0.000 1.076 383 I HN 0.031 nan 8.210 nan 0.000 0.415 384 L N 0.571 121.587 121.223 -0.345 0.000 2.313 384 L HA -0.034 4.305 4.340 -0.002 0.000 0.214 384 L C 0.819 177.513 176.870 -0.294 0.000 1.119 384 L CA 1.040 55.617 54.840 -0.437 0.000 0.809 384 L CB -1.162 40.508 42.059 -0.647 0.000 0.933 384 L HN 0.332 nan 8.230 nan 0.000 0.449 385 K N 0.017 120.269 120.400 -0.247 0.000 3.278 385 K HA -0.147 4.172 4.320 -0.002 0.000 0.270 385 K C -2.080 174.423 176.600 -0.160 0.000 0.955 385 K CA -0.098 56.078 56.287 -0.185 0.000 0.723 385 K CB -1.340 31.078 32.500 -0.136 0.000 1.382 385 K HN 0.339 nan 8.250 nan 0.000 0.461 386 P HA -0.044 nan 4.420 nan 0.000 0.269 386 P C 0.629 177.860 177.300 -0.115 0.000 1.215 386 P CA 0.182 63.203 63.100 -0.132 0.000 0.780 386 P CB 1.340 32.951 31.700 -0.148 0.000 0.898 387 S N 0.379 116.031 115.700 -0.080 0.000 2.486 387 S HA 0.082 4.551 4.470 -0.002 0.000 0.220 387 S C 0.593 175.119 174.600 -0.123 0.000 1.011 387 S CA 0.338 58.492 58.200 -0.076 0.000 0.921 387 S CB -0.356 62.831 63.200 -0.023 0.000 0.785 387 S HN 0.525 nan 8.310 nan 0.000 0.517 388 T N 1.886 116.346 114.554 -0.157 0.000 2.886 388 T HA 0.669 5.018 4.350 -0.002 0.000 0.292 388 T C -1.604 172.963 174.700 -0.221 0.000 1.012 388 T CA -0.388 61.573 62.100 -0.232 0.000 0.982 388 T CB 1.828 70.501 68.868 -0.325 0.000 1.018 388 T HN 0.164 nan 8.240 nan 0.000 0.451 389 I N 3.049 123.497 120.570 -0.204 0.000 2.466 389 I HA 0.563 4.732 4.170 -0.002 0.000 0.289 389 I C -1.282 174.845 176.117 0.016 0.000 1.026 389 I CA -0.919 60.321 61.300 -0.100 0.000 1.078 389 I CB 1.178 39.057 38.000 -0.202 0.000 1.249 389 I HN 0.603 nan 8.210 nan 0.000 0.429 390 I N 6.980 127.584 120.570 0.057 0.000 2.411 390 I HA 0.441 4.610 4.170 -0.002 0.000 0.284 390 I C 0.406 176.702 176.117 0.298 0.000 1.012 390 I CA -0.637 60.742 61.300 0.131 0.000 1.119 390 I CB 1.728 39.599 38.000 -0.216 0.000 1.261 390 I HN 0.666 nan 8.210 nan 0.000 0.448 391 G N 4.580 113.508 108.800 0.213 0.000 2.338 391 G HA2 0.430 4.389 3.960 -0.002 0.000 0.295 391 G HA3 0.430 4.389 3.960 -0.002 0.000 0.295 391 G C -0.265 174.582 174.900 -0.088 0.000 1.132 391 G CA -0.182 44.767 45.100 -0.252 0.000 0.922 391 G HN 0.462 nan 8.290 nan 0.000 0.427 392 V N 2.144 122.045 119.914 -0.021 0.000 3.301 392 V HA 0.525 4.644 4.120 -0.002 0.000 0.477 392 V C 0.802 176.897 176.094 0.002 0.000 1.564 392 V CA 0.479 62.794 62.300 0.025 0.000 1.946 392 V CB 0.274 32.176 31.823 0.132 0.000 1.281 392 V HN 0.890 nan 8.190 nan 0.000 0.655 393 A N 0.616 123.401 122.820 -0.060 0.000 2.252 393 A HA 0.579 4.899 4.320 -0.002 0.000 0.213 393 A C 1.902 179.456 177.584 -0.050 0.000 1.188 393 A CA 0.720 52.729 52.037 -0.047 0.000 0.863 393 A CB -0.118 18.841 19.000 -0.068 0.000 0.893 393 A HN 1.915 nan 8.150 nan 0.000 0.495 394 G N -1.179 107.584 108.800 -0.063 0.000 2.283 394 G HA2 -0.004 3.955 3.960 -0.002 0.000 0.280 394 G HA3 -0.004 3.955 3.960 -0.002 0.000 0.280 394 G C 0.620 175.489 174.900 -0.052 0.000 1.029 394 G CA 0.539 45.607 45.100 -0.053 0.000 0.840 394 G HN 1.623 nan 8.290 nan 0.000 0.505 395 A N -0.893 121.889 122.820 -0.062 0.000 2.610 395 A HA 0.783 5.102 4.320 -0.002 0.000 0.291 395 A C 1.582 179.139 177.584 -0.045 0.000 1.116 395 A CA 1.237 53.245 52.037 -0.049 0.000 0.963 395 A CB 0.112 19.086 19.000 -0.044 0.000 1.220 395 A HN 2.541 nan 8.150 nan 0.000 0.530 396 G N -0.083 108.686 108.800 -0.051 0.000 2.610 396 G HA2 -0.106 3.853 3.960 -0.002 0.000 0.304 396 G HA3 -0.106 3.853 3.960 -0.002 0.000 0.304 396 G C -0.465 174.407 174.900 -0.048 0.000 1.309 396 G CA -0.961 44.119 45.100 -0.034 0.000 0.906 396 G HN 0.307 nan 8.290 nan 0.000 0.521 397 R N 0.713 121.205 120.500 -0.014 0.000 4.045 397 R HA 0.092 4.431 4.340 -0.002 0.000 0.174 397 R C 1.319 177.629 176.300 0.016 0.000 1.805 397 R CA -0.180 55.921 56.100 0.002 0.000 1.368 397 R CB -0.748 29.568 30.300 0.026 0.000 1.362 397 R HN 0.339 nan 8.270 nan 0.000 0.777 398 L N -0.111 121.096 121.223 -0.027 0.000 2.418 398 L HA 0.088 4.427 4.340 -0.002 0.000 0.218 398 L C 1.010 178.008 176.870 0.213 0.000 1.125 398 L CA 0.796 55.653 54.840 0.029 0.000 0.835 398 L CB -0.503 41.517 42.059 -0.066 0.000 0.953 398 L HN 0.304 nan 8.230 nan 0.000 0.454 399 F N 1.667 121.595 119.950 -0.037 0.000 2.626 399 F HA 0.076 4.602 4.527 -0.001 0.000 0.353 399 F C 1.237 177.044 175.800 0.012 0.000 1.230 399 F CA -0.899 57.106 58.000 0.008 0.000 1.298 399 F CB -0.043 38.970 39.000 0.022 0.000 1.670 399 F HN 0.048 nan 8.300 nan 0.000 0.633 400 T N -0.918 113.746 114.554 0.185 0.000 2.795 400 T HA 0.041 4.390 4.350 -0.002 0.000 0.314 400 T C -1.673 173.056 174.700 0.048 0.000 1.069 400 T CA -1.397 60.758 62.100 0.091 0.000 1.071 400 T CB 1.111 70.021 68.868 0.070 0.000 0.988 400 T HN 0.118 nan 8.240 nan 0.000 0.543 401 P HA -0.089 nan 4.420 nan 0.000 0.216 401 P C 1.149 178.436 177.300 -0.022 0.000 1.150 401 P CA 1.043 64.136 63.100 -0.011 0.000 0.843 401 P CB -0.003 31.690 31.700 -0.012 0.000 0.787 402 D N -1.164 119.229 120.400 -0.013 0.000 2.144 402 D HA -0.092 4.547 4.640 -0.002 0.000 0.200 402 D C 2.012 178.283 176.300 -0.049 0.000 0.978 402 D CA 0.929 54.912 54.000 -0.028 0.000 0.833 402 D CB -0.654 40.134 40.800 -0.019 0.000 0.961 402 D HN -0.019 nan 8.370 nan 0.000 0.470 403 V N 1.265 121.159 119.914 -0.033 0.000 2.343 403 V HA -0.206 3.913 4.120 -0.002 0.000 0.247 403 V C 2.499 178.519 176.094 -0.123 0.000 1.051 403 V CA 1.092 63.350 62.300 -0.071 0.000 1.036 403 V CB -0.282 31.550 31.823 0.014 0.000 0.654 403 V HN 0.190 nan 8.190 nan 0.000 0.451 404 I N -0.625 119.889 120.570 -0.094 0.000 2.252 404 I HA -0.208 3.961 4.170 -0.002 0.000 0.245 404 I C 2.744 178.798 176.117 -0.105 0.000 1.102 404 I CA 1.409 62.641 61.300 -0.113 0.000 1.385 404 I CB -0.469 37.477 38.000 -0.089 0.000 1.064 404 I HN 0.212 nan 8.210 nan 0.000 0.414 405 R N 1.171 121.621 120.500 -0.084 0.000 2.083 405 R HA -0.055 4.284 4.340 -0.002 0.000 0.237 405 R C 1.449 177.697 176.300 -0.086 0.000 1.137 405 R CA 1.009 57.064 56.100 -0.075 0.000 0.951 405 R CB -0.510 29.755 30.300 -0.058 0.000 0.851 405 R HN 0.330 nan 8.270 nan 0.000 0.434 409 S N 0.264 115.923 115.700 -0.068 0.000 2.414 409 S HA 0.116 4.585 4.470 -0.002 0.000 0.227 409 S C 1.664 176.228 174.600 -0.061 0.000 1.022 409 S CA 1.391 59.556 58.200 -0.059 0.000 0.958 409 S CB -0.270 62.893 63.200 -0.061 0.000 0.797 409 S HN 0.520 nan 8.310 nan 0.000 0.493 410 I N 1.146 121.671 120.570 -0.075 0.000 2.480 410 I HA 0.022 4.191 4.170 -0.002 0.000 0.251 410 I C 0.347 176.426 176.117 -0.063 0.000 1.124 410 I CA 0.620 61.875 61.300 -0.076 0.000 1.444 410 I CB -0.019 37.921 38.000 -0.101 0.000 1.098 410 I HN 0.177 nan 8.210 nan 0.000 0.428 411 N N 0.618 119.280 118.700 -0.063 0.000 2.319 411 N HA 0.100 4.839 4.740 -0.002 0.000 0.305 411 N C 0.487 175.975 175.510 -0.037 0.000 1.103 411 N CA -0.235 52.786 53.050 -0.049 0.000 0.815 411 N CB 2.404 40.856 38.487 -0.057 0.000 1.288 411 N HN -0.054 nan 8.380 nan 0.000 0.493 412 E N 1.051 121.237 120.200 -0.024 0.000 2.076 412 E HA -0.002 4.347 4.350 -0.002 0.000 0.190 412 E C -0.280 176.315 176.600 -0.009 0.000 0.979 412 E CA 1.420 57.812 56.400 -0.013 0.000 0.807 412 E CB 0.390 30.088 29.700 -0.004 0.000 0.761 412 E HN 0.291 nan 8.360 nan 0.000 0.454 413 R N 1.397 121.892 120.500 -0.008 0.000 2.564 413 R HA 0.327 4.666 4.340 -0.002 0.000 0.282 413 R C -2.504 173.785 176.300 -0.018 0.000 1.573 413 R CA -2.257 53.842 56.100 -0.001 0.000 1.588 413 R CB 0.739 31.049 30.300 0.017 0.000 1.154 413 R HN 0.225 nan 8.270 nan 0.000 0.606 414 P HA 0.106 nan 4.420 nan 0.000 0.276 414 P C -0.081 177.192 177.300 -0.046 0.000 1.230 414 P CA -0.217 62.848 63.100 -0.059 0.000 0.776 414 P CB 1.363 33.016 31.700 -0.078 0.000 0.888 415 V N 5.551 125.416 119.914 -0.081 0.000 2.364 415 V HA 0.309 4.428 4.120 -0.002 0.000 0.272 415 V C 0.642 176.690 176.094 -0.076 0.000 1.036 415 V CA -0.269 61.978 62.300 -0.089 0.000 0.880 415 V CB 0.498 32.181 31.823 -0.234 0.000 0.991 415 V HN 0.404 nan 8.190 nan 0.000 0.460 416 I N 5.715 126.355 120.570 0.116 0.000 2.439 416 I HA 0.447 4.616 4.170 -0.002 0.000 0.285 416 I C -1.165 175.275 176.117 0.539 0.000 1.021 416 I CA -0.236 61.216 61.300 0.254 0.000 1.091 416 I CB 1.610 39.760 38.000 0.250 0.000 1.242 416 I HN 0.359 nan 8.210 nan 0.000 0.439 417 F N 4.826 124.859 119.950 0.138 0.000 2.402 417 F HA 0.558 5.084 4.527 -0.001 0.000 0.355 417 F C 0.461 176.306 175.800 0.074 0.000 1.123 417 F CA -1.527 56.474 58.000 0.001 0.000 1.021 417 F CB 1.903 40.905 39.000 0.004 0.000 1.160 417 F HN 0.412 nan 8.300 nan 0.000 0.451 418 A N 5.741 128.602 122.820 0.069 0.000 2.801 418 A HA 0.528 4.847 4.320 -0.002 0.000 0.344 418 A C 0.539 178.101 177.584 -0.036 0.000 1.322 418 A CA -0.299 51.733 52.037 -0.007 0.000 0.913 418 A CB -0.268 18.822 19.000 0.150 0.000 1.140 418 A HN 0.833 nan 8.150 nan 0.000 0.487 419 L N 0.707 121.915 121.223 -0.026 0.000 2.418 419 L HA 0.037 4.376 4.340 -0.002 0.000 0.218 419 L C 1.008 177.863 176.870 -0.025 0.000 1.125 419 L CA 0.147 54.976 54.840 -0.019 0.000 0.835 419 L CB -0.263 41.819 42.059 0.039 0.000 0.953 419 L HN 0.506 nan 8.230 nan 0.000 0.454 420 S N 1.016 116.690 115.700 -0.044 0.000 2.558 420 S HA 0.111 4.580 4.470 -0.002 0.000 0.288 420 S C 0.147 174.717 174.600 -0.051 0.000 1.318 420 S CA -0.082 58.089 58.200 -0.049 0.000 1.056 420 S CB 0.288 63.446 63.200 -0.070 0.000 0.853 420 S HN 0.285 nan 8.310 nan 0.000 0.505 421 N N 2.423 121.084 118.700 -0.065 0.000 2.265 421 N HA 0.517 5.256 4.740 -0.002 0.000 0.300 421 N C -2.737 172.720 175.510 -0.088 0.000 1.148 421 N CA -1.403 51.590 53.050 -0.094 0.000 0.772 421 N CB 2.017 40.424 38.487 -0.134 0.000 1.434 421 N HN 0.300 nan 8.380 nan 0.000 0.481 422 P HA 0.176 nan 4.420 nan 0.000 0.302 422 P C 0.542 177.787 177.300 -0.091 0.000 1.307 422 P CA -0.047 62.982 63.100 -0.117 0.000 0.754 422 P CB 0.464 32.094 31.700 -0.117 0.000 1.298 423 T N 0.300 114.784 114.554 -0.116 0.000 2.653 423 T HA -0.269 4.080 4.350 -0.002 0.000 0.267 423 T C 1.885 176.588 174.700 0.004 0.000 1.037 423 T CA 2.749 64.793 62.100 -0.093 0.000 1.159 423 T CB -1.257 67.530 68.868 -0.135 0.000 0.859 423 T HN 0.555 nan 8.240 nan 0.000 0.449 424 A N 0.818 123.633 122.820 -0.009 0.000 2.070 424 A HA -0.083 4.236 4.320 -0.002 0.000 0.220 424 A C 2.171 179.758 177.584 0.005 0.000 1.159 424 A CA 1.061 53.104 52.037 0.010 0.000 0.656 424 A CB -0.265 18.732 19.000 -0.005 0.000 0.800 424 A HN 0.345 nan 8.150 nan 0.000 0.453 425 Q N -0.495 119.297 119.800 -0.013 0.000 2.319 425 Q HA 0.388 4.727 4.340 -0.002 0.000 0.202 425 Q C 0.688 176.671 176.000 -0.028 0.000 0.896 425 Q CA 0.492 56.280 55.803 -0.026 0.000 0.942 425 Q CB -0.635 28.079 28.738 -0.041 0.000 1.083 425 Q HN 0.574 nan 8.270 nan 0.000 0.510 426 A N 0.950 123.777 122.820 0.012 0.000 2.483 426 A HA 0.085 4.404 4.320 -0.002 0.000 0.238 426 A C 0.843 178.415 177.584 -0.020 0.000 1.070 426 A CA -0.144 51.912 52.037 0.033 0.000 0.770 426 A CB 0.436 19.551 19.000 0.192 0.000 1.008 426 A HN 0.051 nan 8.150 nan 0.000 0.497 427 E N -0.273 119.841 120.200 -0.142 0.000 2.153 427 E HA -0.014 4.335 4.350 -0.002 0.000 0.194 427 E C 0.631 177.192 176.600 -0.066 0.000 0.988 427 E CA 1.610 57.822 56.400 -0.314 0.000 0.811 427 E CB -0.414 28.662 29.700 -1.039 0.000 0.746 427 E HN 0.930 nan 8.360 nan 0.000 0.466 428 C N -3.118 116.220 119.300 0.064 0.000 3.231 428 C HA 0.620 5.079 4.460 -0.002 0.000 0.343 428 C C -0.013 174.984 174.990 0.012 0.000 1.349 428 C CA -0.709 58.354 59.018 0.076 0.000 1.209 428 C CB 0.927 28.746 27.740 0.132 0.000 1.475 428 C HN 0.253 nan 8.230 nan 0.000 0.460 429 T N -0.515 113.899 114.554 -0.233 0.000 2.881 429 T HA 0.664 5.014 4.350 -0.002 0.000 0.278 429 T C 1.181 175.262 174.700 -1.031 0.000 0.982 429 T CA 0.172 61.826 62.100 -0.744 0.000 0.989 429 T CB 1.398 69.966 68.868 -0.500 0.000 1.058 429 T HN 2.104 nan 8.240 nan 0.000 0.529 430 A N -0.038 121.957 122.820 -1.374 0.000 1.898 430 A HA -0.024 4.295 4.320 -0.002 0.000 0.216 430 A C 2.253 179.482 177.584 -0.592 0.000 1.181 430 A CA 1.697 53.059 52.037 -1.126 0.000 0.620 430 A CB -1.127 17.694 19.000 -0.298 0.000 0.819 430 A HN 1.040 nan 8.150 nan 0.000 0.442 431 E N -0.032 119.953 120.200 -0.359 0.000 2.085 431 E HA -0.247 4.102 4.350 -0.002 0.000 0.194 431 E C 1.854 178.338 176.600 -0.193 0.000 0.994 431 E CA 1.546 57.858 56.400 -0.148 0.000 0.801 431 E CB -0.117 29.528 29.700 -0.091 0.000 0.743 431 E HN 0.765 nan 8.360 nan 0.000 0.453 432 E N 0.087 120.115 120.200 -0.286 0.000 2.047 432 E HA -0.156 4.193 4.350 -0.002 0.000 0.191 432 E C 2.051 178.478 176.600 -0.288 0.000 0.987 432 E CA 0.882 57.146 56.400 -0.227 0.000 0.799 432 E CB -0.136 29.452 29.700 -0.187 0.000 0.752 432 E HN 0.345 nan 8.360 nan 0.000 0.449 433 A N 0.723 123.235 122.820 -0.514 0.000 1.865 433 A HA -0.206 4.113 4.320 -0.002 0.000 0.217 433 A C 1.946 179.228 177.584 -0.503 0.000 1.191 433 A CA 1.420 53.104 52.037 -0.588 0.000 0.623 433 A CB -0.995 17.354 19.000 -1.085 0.000 0.826 433 A HN 0.308 nan 8.150 nan 0.000 0.444 434 Y N 0.769 120.835 120.300 -0.390 0.000 2.200 434 Y HA -0.196 4.353 4.550 -0.002 0.000 0.290 434 Y C 3.198 178.943 175.900 -0.257 0.000 1.137 434 Y CA 1.663 59.534 58.100 -0.382 0.000 1.163 434 Y CB -0.538 37.681 38.460 -0.402 0.000 0.988 434 Y HN 0.533 nan 8.280 nan 0.000 0.518 435 T N -1.781 112.754 114.554 -0.032 0.000 2.737 435 T HA -0.146 4.203 4.350 -0.002 0.000 0.265 435 T C 1.606 176.277 174.700 -0.049 0.000 1.038 435 T CA 0.985 63.071 62.100 -0.023 0.000 1.144 435 T CB -0.643 68.213 68.868 -0.020 0.000 0.866 435 T HN 0.076 nan 8.240 nan 0.000 0.434 436 L N 2.564 123.737 121.223 -0.083 0.000 2.551 436 L HA 0.201 4.540 4.340 -0.002 0.000 0.228 436 L C 2.322 179.144 176.870 -0.080 0.000 1.153 436 L CA 1.461 56.255 54.840 -0.077 0.000 0.851 436 L CB -0.765 41.243 42.059 -0.085 0.000 0.959 436 L HN 0.715 nan 8.230 nan 0.000 0.451 437 T N -5.668 108.829 114.554 -0.095 0.000 3.132 437 T HA 0.176 4.525 4.350 -0.002 0.000 0.274 437 T C 0.528 175.191 174.700 -0.063 0.000 1.011 437 T CA -0.283 61.766 62.100 -0.086 0.000 0.899 437 T CB -0.160 68.640 68.868 -0.112 0.000 1.089 437 T HN 0.307 nan 8.240 nan 0.000 0.543 438 E N 0.855 121.028 120.200 -0.046 0.000 2.440 438 E HA -0.232 4.117 4.350 -0.002 0.000 0.246 438 E C 1.005 177.599 176.600 -0.010 0.000 1.165 438 E CA 0.450 56.844 56.400 -0.010 0.000 0.726 438 E CB -1.927 27.776 29.700 0.005 0.000 1.271 438 E HN 1.034 nan 8.360 nan 0.000 0.397 439 G N -0.111 108.613 108.800 -0.127 0.000 2.153 439 G HA2 -0.394 3.565 3.960 -0.002 0.000 0.252 439 G HA3 -0.394 3.565 3.960 -0.002 0.000 0.252 439 G C 0.671 175.464 174.900 -0.178 0.000 0.994 439 G CA 0.647 45.515 45.100 -0.387 0.000 0.698 439 G HN 0.412 nan 8.290 nan 0.000 0.521 440 R N -0.579 119.875 120.500 -0.076 0.000 2.290 440 R HA 0.227 4.566 4.340 -0.002 0.000 0.197 440 R C 1.960 178.254 176.300 -0.009 0.000 0.913 440 R CA 0.642 56.735 56.100 -0.011 0.000 1.040 440 R CB -0.028 30.269 30.300 -0.005 0.000 0.992 440 R HN 0.767 nan 8.270 nan 0.000 0.500 441 C N -0.209 119.062 119.300 -0.047 0.000 2.520 441 C HA 0.509 4.969 4.460 -0.002 0.000 0.376 441 C C 0.409 175.437 174.990 0.064 0.000 1.268 441 C CA -1.216 57.786 59.018 -0.027 0.000 2.414 441 C CB 0.037 27.713 27.740 -0.107 0.000 2.521 441 C HN 0.198 nan 8.230 nan 0.000 0.618 442 L N 2.694 123.979 121.223 0.104 0.000 2.301 442 L HA 0.452 4.791 4.340 -0.002 0.000 0.278 442 L C -0.324 176.702 176.870 0.260 0.000 1.022 442 L CA -0.072 54.881 54.840 0.188 0.000 0.854 442 L CB 0.443 42.587 42.059 0.143 0.000 1.226 442 L HN 0.758 nan 8.230 nan 0.000 0.429 443 F N 3.381 123.364 119.950 0.055 0.000 2.470 443 F HA 0.826 5.352 4.527 -0.002 0.000 0.329 443 F C -0.162 175.678 175.800 0.066 0.000 1.072 443 F CA -0.535 57.467 58.000 0.004 0.000 0.989 443 F CB 1.654 40.419 39.000 -0.393 0.000 1.193 443 F HN 0.415 nan 8.300 nan 0.000 0.481 444 A N 2.849 125.049 122.820 -1.033 0.000 2.566 444 A HA 0.678 4.997 4.320 -0.002 0.000 0.297 444 A C -1.376 175.548 177.584 -1.100 0.000 1.059 444 A CA -0.133 51.367 52.037 -0.894 0.000 0.691 444 A CB 1.162 19.558 19.000 -1.007 0.000 1.282 444 A HN 1.133 nan 8.150 nan 0.000 0.401 445 S N 0.113 115.483 115.700 -0.549 0.000 2.627 445 S HA 0.731 5.200 4.470 -0.002 0.000 0.283 445 S C 0.829 175.367 174.600 -0.104 0.000 1.127 445 S CA -0.031 58.026 58.200 -0.238 0.000 0.863 445 S CB 1.389 64.714 63.200 0.208 0.000 1.121 445 S HN 1.805 nan 8.310 nan 0.000 0.479 446 G N 0.569 109.334 108.800 -0.058 0.000 2.430 446 G HA2 0.212 4.171 3.960 -0.002 0.000 0.216 446 G HA3 0.212 4.171 3.960 -0.002 0.000 0.216 446 G C 0.335 175.190 174.900 -0.075 0.000 1.146 446 G CA 0.203 45.267 45.100 -0.059 0.000 0.793 446 G HN 0.697 nan 8.290 nan 0.000 0.537 447 S N 1.280 116.913 115.700 -0.112 0.000 2.654 447 S HA 0.521 4.990 4.470 -0.002 0.000 0.283 447 S C -2.534 171.889 174.600 -0.295 0.000 1.180 447 S CA -1.012 57.053 58.200 -0.225 0.000 1.021 447 S CB 2.256 65.268 63.200 -0.314 0.000 1.018 447 S HN 0.087 nan 8.310 nan 0.000 0.532 448 P HA 0.327 nan 4.420 nan 0.000 0.276 448 P C -1.314 175.787 177.300 -0.331 0.000 1.230 448 P CA -0.040 62.963 63.100 -0.161 0.000 0.776 448 P CB 0.178 31.842 31.700 -0.060 0.000 0.888 449 F N 0.718 120.751 119.950 0.139 0.000 2.569 449 F HA 0.462 4.989 4.527 -0.001 0.000 0.312 449 F C 1.164 177.053 175.800 0.149 0.000 1.109 449 F CA -0.649 57.442 58.000 0.152 0.000 0.919 449 F CB 2.158 41.288 39.000 0.217 0.000 1.211 449 F HN 0.318 nan 8.300 nan 0.000 0.446 450 G N 1.970 110.959 108.800 0.314 0.000 2.653 450 G HA2 0.477 4.436 3.960 -0.002 0.000 0.265 450 G HA3 0.477 4.436 3.960 -0.002 0.000 0.265 450 G C -2.745 172.282 174.900 0.211 0.000 1.237 450 G CA -1.304 43.922 45.100 0.211 0.000 0.946 450 G HN 0.304 nan 8.290 nan 0.000 0.522 451 P HA 0.248 nan 4.420 nan 0.000 0.269 451 P C -0.542 176.816 177.300 0.096 0.000 1.215 451 P CA -0.283 62.884 63.100 0.111 0.000 0.780 451 P CB 0.998 32.733 31.700 0.060 0.000 0.898 452 V N 2.909 122.866 119.914 0.071 0.000 2.459 452 V HA 0.381 4.500 4.120 -0.002 0.000 0.295 452 V C 0.144 176.272 176.094 0.056 0.000 1.029 452 V CA -0.448 61.897 62.300 0.076 0.000 0.874 452 V CB 1.518 33.412 31.823 0.118 0.000 0.985 452 V HN 0.424 nan 8.190 nan 0.000 0.438 453 K N 4.919 125.350 120.400 0.051 0.000 2.394 453 K HA 0.607 4.926 4.320 -0.002 0.000 0.260 453 K C -0.816 175.820 176.600 0.059 0.000 0.967 453 K CA -0.594 55.710 56.287 0.028 0.000 0.855 453 K CB 1.069 33.571 32.500 0.002 0.000 1.101 453 K HN 0.609 nan 8.250 nan 0.000 0.433 454 L N 2.638 123.917 121.223 0.093 0.000 2.472 454 L HA 0.114 4.453 4.340 -0.002 0.000 0.260 454 L C 1.667 178.568 176.870 0.052 0.000 1.209 454 L CA -0.322 54.577 54.840 0.099 0.000 0.817 454 L CB 0.687 42.846 42.059 0.166 0.000 1.106 454 L HN 0.778 nan 8.230 nan 0.000 0.479 455 T N -0.135 114.445 114.554 0.044 0.000 2.778 455 T HA -0.177 4.172 4.350 -0.002 0.000 0.269 455 T C 1.115 175.828 174.700 0.022 0.000 1.050 455 T CA 1.850 63.966 62.100 0.027 0.000 1.137 455 T CB -0.399 68.483 68.868 0.023 0.000 0.860 455 T HN 0.830 nan 8.240 nan 0.000 0.468 456 D N -0.016 120.401 120.400 0.030 0.000 2.363 456 D HA 0.241 4.880 4.640 -0.002 0.000 0.226 456 D C 1.503 177.805 176.300 0.005 0.000 1.020 456 D CA 0.804 54.816 54.000 0.020 0.000 0.892 456 D CB -0.462 40.356 40.800 0.031 0.000 0.900 456 D HN 0.445 nan 8.370 nan 0.000 0.531 457 G N -0.109 108.690 108.800 -0.000 0.000 2.254 457 G HA2 -0.306 3.653 3.960 -0.002 0.000 0.225 457 G HA3 -0.306 3.653 3.960 -0.002 0.000 0.225 457 G C 0.312 175.171 174.900 -0.069 0.000 1.003 457 G CA -0.257 44.827 45.100 -0.027 0.000 0.622 457 G HN 0.411 nan 8.290 nan 0.000 0.507 458 R N 0.318 120.768 120.500 -0.084 0.000 2.522 458 R HA 0.442 4.782 4.340 -0.002 0.000 0.284 458 R C -0.043 176.042 176.300 -0.358 0.000 1.032 458 R CA 0.206 56.160 56.100 -0.244 0.000 1.049 458 R CB 1.092 31.251 30.300 -0.234 0.000 0.956 458 R HN 0.125 nan 8.270 nan 0.000 0.422 459 V N 5.097 124.712 119.914 -0.499 0.000 2.417 459 V HA 0.379 4.498 4.120 -0.002 0.000 0.291 459 V C -0.659 175.031 176.094 -0.674 0.000 1.024 459 V CA -0.533 61.521 62.300 -0.411 0.000 0.861 459 V CB 0.916 32.611 31.823 -0.214 0.000 0.985 459 V HN 0.494 nan 8.190 nan 0.000 0.436 460 F N 1.767 121.553 119.950 -0.273 0.000 2.458 460 F HA 0.565 5.091 4.527 -0.002 0.000 0.336 460 F C 0.629 176.271 175.800 -0.263 0.000 1.114 460 F CA -0.559 57.189 58.000 -0.419 0.000 0.987 460 F CB 2.135 40.465 39.000 -1.117 0.000 1.130 460 F HN 0.305 nan 8.300 nan 0.000 0.458 461 T N 4.851 119.439 114.554 0.057 0.000 2.874 461 T HA 0.305 4.654 4.350 -0.002 0.000 0.321 461 T C -2.674 172.180 174.700 0.257 0.000 1.075 461 T CA -1.477 60.705 62.100 0.137 0.000 0.966 461 T CB 0.805 69.732 68.868 0.098 0.000 1.001 461 T HN 0.221 nan 8.240 nan 0.000 0.476 462 P HA 0.318 nan 4.420 nan 0.000 0.275 462 P C 0.210 177.719 177.300 0.348 0.000 1.227 462 P CA -0.149 63.254 63.100 0.506 0.000 0.781 462 P CB 1.014 33.160 31.700 0.743 0.000 0.906 463 G N 1.881 110.855 108.800 0.290 0.000 2.451 463 G HA2 0.282 4.242 3.960 -0.002 0.000 0.303 463 G HA3 0.282 4.242 3.960 -0.002 0.000 0.303 463 G C -0.923 174.105 174.900 0.214 0.000 1.166 463 G CA -0.520 44.754 45.100 0.290 0.000 0.884 463 G HN 0.541 nan 8.290 nan 0.000 0.514 464 Q N 0.061 119.955 119.800 0.155 0.000 2.360 464 Q HA 0.436 4.775 4.340 -0.002 0.000 0.254 464 Q C 0.390 176.223 176.000 -0.278 0.000 0.975 464 Q CA -0.553 55.261 55.803 0.018 0.000 0.912 464 Q CB 1.069 29.860 28.738 0.089 0.000 1.212 464 Q HN 0.571 nan 8.270 nan 0.000 0.452 465 G N 4.400 113.005 108.800 -0.324 0.000 3.343 465 G HA2 0.051 4.010 3.960 -0.002 0.000 0.279 465 G HA3 0.051 4.010 3.960 -0.002 0.000 0.279 465 G C -0.372 174.411 174.900 -0.195 0.000 0.919 465 G CA -0.234 44.569 45.100 -0.495 0.000 1.812 465 G HN 0.506 nan 8.290 nan 0.000 0.584 466 N N 1.052 119.694 118.700 -0.096 0.000 2.314 466 N HA 0.043 4.782 4.740 -0.002 0.000 0.304 466 N C 1.014 176.608 175.510 0.140 0.000 1.073 466 N CA -0.618 52.471 53.050 0.065 0.000 0.822 466 N CB 1.395 39.955 38.487 0.121 0.000 1.280 466 N HN 0.264 nan 8.380 nan 0.000 0.489 467 N N 1.793 120.625 118.700 0.221 0.000 2.635 467 N HA -0.136 4.603 4.740 -0.002 0.000 0.191 467 N C 1.350 177.003 175.510 0.238 0.000 1.155 467 N CA 0.470 53.698 53.050 0.298 0.000 0.927 467 N CB -0.178 38.553 38.487 0.406 0.000 0.976 467 N HN 0.267 nan 8.380 nan 0.000 0.448 468 V N -0.533 119.437 119.914 0.093 0.000 2.720 468 V HA -0.172 3.947 4.120 -0.002 0.000 0.256 468 V C 1.002 176.775 176.094 -0.534 0.000 1.082 468 V CA 1.314 63.362 62.300 -0.420 0.000 1.101 468 V CB -0.742 30.861 31.823 -0.366 0.000 0.693 468 V HN 0.328 nan 8.190 nan 0.000 0.479 469 Y N -1.098 119.058 120.300 -0.240 0.000 2.516 469 Y HA 0.060 4.609 4.550 -0.001 0.000 0.291 469 Y C 2.051 177.849 175.900 -0.169 0.000 1.131 469 Y CA 0.912 58.893 58.100 -0.198 0.000 1.281 469 Y CB 0.370 38.736 38.460 -0.156 0.000 1.013 469 Y HN 0.233 nan 8.280 nan 0.000 0.554 470 I N -1.722 118.842 120.570 -0.009 0.000 3.136 470 I HA -0.121 4.048 4.170 -0.002 0.000 0.262 470 I C 2.129 178.237 176.117 -0.015 0.000 1.132 470 I CA 0.652 61.974 61.300 0.037 0.000 1.450 470 I CB -1.307 36.807 38.000 0.190 0.000 1.315 470 I HN 0.176 nan 8.210 nan 0.000 0.460 471 F N 2.408 122.410 119.950 0.087 0.000 2.202 471 F HA 0.010 4.536 4.527 -0.002 0.000 0.301 471 F C -0.820 174.876 175.800 -0.173 0.000 1.082 471 F CA 0.812 58.852 58.000 0.067 0.000 1.313 471 F CB -2.761 36.416 39.000 0.296 0.000 1.024 471 F HN 0.070 nan 8.300 nan 0.000 0.495 472 P HA 0.001 nan 4.420 nan 0.000 0.214 472 P C 2.115 179.243 177.300 -0.287 0.000 1.162 472 P CA 2.294 65.125 63.100 -0.449 0.000 0.874 472 P CB -0.424 30.989 31.700 -0.478 0.000 0.784 473 G N -0.402 108.268 108.800 -0.217 0.000 2.408 473 G HA2 -0.193 3.766 3.960 -0.002 0.000 0.217 473 G HA3 -0.193 3.766 3.960 -0.002 0.000 0.217 473 G C 1.622 176.440 174.900 -0.137 0.000 1.150 473 G CA 0.606 45.621 45.100 -0.142 0.000 0.776 473 G HN 0.131 nan 8.290 nan 0.000 0.542 474 V N 1.566 121.382 119.914 -0.164 0.000 2.307 474 V HA -0.116 4.003 4.120 -0.002 0.000 0.245 474 V C 3.340 179.326 176.094 -0.180 0.000 1.045 474 V CA 1.995 64.162 62.300 -0.222 0.000 1.024 474 V CB -0.891 30.717 31.823 -0.358 0.000 0.651 474 V HN 0.462 nan 8.190 nan 0.000 0.449 475 A N -0.131 122.597 122.820 -0.154 0.000 1.908 475 A HA -0.242 4.077 4.320 -0.002 0.000 0.218 475 A C 2.185 179.730 177.584 -0.065 0.000 1.181 475 A CA 2.310 54.295 52.037 -0.086 0.000 0.627 475 A CB -0.652 18.180 19.000 -0.280 0.000 0.818 475 A HN 0.455 nan 8.150 nan 0.000 0.445 476 L N -0.283 120.877 121.223 -0.104 0.000 2.017 476 L HA -0.074 4.265 4.340 -0.002 0.000 0.208 476 L C 2.717 179.579 176.870 -0.013 0.000 1.073 476 L CA 2.332 57.140 54.840 -0.053 0.000 0.745 476 L CB -0.896 41.124 42.059 -0.066 0.000 0.894 476 L HN 0.353 nan 8.230 nan 0.000 0.432 477 A N -1.124 121.684 122.820 -0.020 0.000 1.883 477 A HA -0.173 4.146 4.320 -0.002 0.000 0.217 477 A C 2.267 179.865 177.584 0.022 0.000 1.186 477 A CA 2.173 54.221 52.037 0.018 0.000 0.624 477 A CB -1.189 17.807 19.000 -0.007 0.000 0.822 477 A HN 0.327 nan 8.150 nan 0.000 0.444 478 V N 0.076 119.985 119.914 -0.009 0.000 2.343 478 V HA -0.256 3.863 4.120 -0.002 0.000 0.247 478 V C 2.407 178.527 176.094 0.044 0.000 1.051 478 V CA 1.974 64.280 62.300 0.009 0.000 1.036 478 V CB -0.644 31.183 31.823 0.006 0.000 0.654 478 V HN 0.565 nan 8.190 nan 0.000 0.451 479 I N -0.535 120.064 120.570 0.048 0.000 2.202 479 I HA -0.224 3.945 4.170 -0.002 0.000 0.242 479 I C 2.292 178.450 176.117 0.068 0.000 1.091 479 I CA 1.543 62.875 61.300 0.053 0.000 1.368 479 I CB -0.283 37.738 38.000 0.036 0.000 1.058 479 I HN 0.236 nan 8.210 nan 0.000 0.410 480 L N -0.184 121.088 121.223 0.082 0.000 2.131 480 L HA -0.226 4.113 4.340 -0.002 0.000 0.210 480 L C 2.226 179.244 176.870 0.246 0.000 1.092 480 L CA 0.951 55.885 54.840 0.157 0.000 0.759 480 L CB -0.536 41.629 42.059 0.176 0.000 0.903 480 L HN 0.413 nan 8.230 nan 0.000 0.435 481 C N -0.336 119.049 119.300 0.142 0.000 2.626 481 C HA 0.111 4.570 4.460 -0.002 0.000 0.266 481 C C 1.113 176.122 174.990 0.032 0.000 1.317 481 C CA -0.320 58.714 59.018 0.026 0.000 1.716 481 C CB -1.836 25.816 27.740 -0.147 0.000 1.819 481 C HN 0.627 nan 8.230 nan 0.000 0.578 482 N N 0.417 119.173 118.700 0.094 0.000 2.740 482 N HA -0.145 4.594 4.740 -0.002 0.000 0.248 482 N C -0.417 175.177 175.510 0.140 0.000 1.062 482 N CA 0.217 53.338 53.050 0.120 0.000 0.704 482 N CB -0.845 37.742 38.487 0.168 0.000 0.968 482 N HN 0.462 nan 8.380 nan 0.000 0.547 483 T N -0.192 114.419 114.554 0.095 0.000 2.919 483 T HA 0.121 4.470 4.350 -0.002 0.000 0.302 483 T C 1.530 176.251 174.700 0.034 0.000 1.031 483 T CA 0.043 62.211 62.100 0.112 0.000 1.127 483 T CB 1.183 70.087 68.868 0.060 0.000 0.952 483 T HN 0.209 nan 8.240 nan 0.000 0.540 484 R N 1.020 121.498 120.500 -0.037 0.000 2.128 484 R HA 0.135 4.474 4.340 -0.002 0.000 0.211 484 R C 0.097 176.064 176.300 -0.556 0.000 1.067 484 R CA 0.666 56.560 56.100 -0.343 0.000 1.010 484 R CB 0.210 30.194 30.300 -0.526 0.000 0.922 484 R HN 0.671 nan 8.270 nan 0.000 0.457 485 H N -1.101 118.035 119.070 0.111 0.000 2.851 485 H HA 0.416 4.971 4.556 -0.001 0.000 0.372 485 H C -1.083 174.328 175.328 0.139 0.000 1.158 485 H CA -0.748 55.378 56.048 0.131 0.000 1.159 485 H CB 2.280 32.108 29.762 0.110 0.000 1.757 485 H HN -0.112 nan 8.280 nan 0.000 0.546 486 I N 2.412 123.157 120.570 0.292 0.000 2.354 486 I HA 0.223 4.393 4.170 -0.002 0.000 0.286 486 I C 0.096 176.365 176.117 0.253 0.000 1.007 486 I CA -0.571 60.860 61.300 0.218 0.000 1.167 486 I CB 1.107 39.230 38.000 0.205 0.000 1.320 486 I HN 0.578 nan 8.210 nan 0.000 0.458 487 S N 2.906 118.731 115.700 0.209 0.000 2.617 487 S HA 0.215 4.684 4.470 -0.002 0.000 0.269 487 S C 0.696 175.455 174.600 0.265 0.000 1.292 487 S CA -0.681 57.651 58.200 0.219 0.000 1.010 487 S CB 1.486 64.801 63.200 0.192 0.000 0.944 487 S HN 0.535 nan 8.310 nan 0.000 0.536 488 D N 1.477 122.039 120.400 0.270 0.000 2.178 488 D HA -0.108 4.531 4.640 -0.002 0.000 0.201 488 D C 2.187 178.644 176.300 0.261 0.000 0.980 488 D CA 1.742 55.936 54.000 0.323 0.000 0.842 488 D CB -0.589 40.344 40.800 0.222 0.000 0.948 488 D HN 0.749 nan 8.370 nan 0.000 0.472 489 S N -0.017 115.791 115.700 0.181 0.000 2.442 489 S HA -0.111 4.358 4.470 -0.002 0.000 0.236 489 S C 2.154 176.697 174.600 -0.096 0.000 1.007 489 S CA 0.625 58.885 58.200 0.100 0.000 0.965 489 S CB -0.492 62.834 63.200 0.209 0.000 0.773 489 S HN 0.085 nan 8.310 nan 0.000 0.504 490 V N 0.731 120.611 119.914 -0.058 0.000 2.358 490 V HA -0.077 4.042 4.120 -0.002 0.000 0.246 490 V C 2.146 178.002 176.094 -0.397 0.000 1.047 490 V CA 1.756 63.881 62.300 -0.291 0.000 1.035 490 V CB -1.032 30.601 31.823 -0.316 0.000 0.658 490 V HN 0.498 nan 8.190 nan 0.000 0.452 491 F N -0.733 119.165 119.950 -0.087 0.000 2.234 491 F HA -0.070 4.456 4.527 -0.002 0.000 0.299 491 F C 2.165 177.929 175.800 -0.060 0.000 1.087 491 F CA 1.188 59.149 58.000 -0.064 0.000 1.340 491 F CB -0.326 38.666 39.000 -0.013 0.000 1.031 491 F HN 0.041 nan 8.300 nan 0.000 0.500 492 L N 0.016 121.284 121.223 0.074 0.000 2.046 492 L HA -0.185 4.154 4.340 -0.002 0.000 0.208 492 L C 2.395 179.222 176.870 -0.072 0.000 1.077 492 L CA 1.448 56.303 54.840 0.024 0.000 0.747 492 L CB -0.267 41.800 42.059 0.013 0.000 0.896 492 L HN 0.076 nan 8.230 nan 0.000 0.432 493 E N -0.022 120.038 120.200 -0.234 0.000 2.150 493 E HA -0.166 4.184 4.350 -0.002 0.000 0.193 493 E C 2.100 178.599 176.600 -0.168 0.000 0.985 493 E CA 1.161 57.382 56.400 -0.298 0.000 0.814 493 E CB -0.112 29.178 29.700 -0.683 0.000 0.752 493 E HN 0.577 nan 8.360 nan 0.000 0.466 494 A N 1.458 124.189 122.820 -0.147 0.000 1.929 494 A HA 0.007 4.326 4.320 -0.002 0.000 0.216 494 A C 2.419 180.002 177.584 -0.002 0.000 1.176 494 A CA 1.644 53.633 52.037 -0.080 0.000 0.628 494 A CB -0.452 18.491 19.000 -0.094 0.000 0.816 494 A HN 0.251 nan 8.150 nan 0.000 0.444 495 A N 0.269 123.109 122.820 0.033 0.000 1.865 495 A HA -0.201 4.118 4.320 -0.002 0.000 0.217 495 A C 2.109 179.717 177.584 0.040 0.000 1.191 495 A CA 1.941 54.019 52.037 0.069 0.000 0.623 495 A CB -0.506 18.550 19.000 0.093 0.000 0.826 495 A HN 0.538 nan 8.150 nan 0.000 0.444 496 K N -0.314 120.094 120.400 0.013 0.000 2.057 496 K HA -0.059 4.260 4.320 -0.002 0.000 0.207 496 K C 2.283 178.887 176.600 0.006 0.000 1.049 496 K CA 1.148 57.439 56.287 0.008 0.000 0.931 496 K CB -0.357 32.140 32.500 -0.005 0.000 0.714 496 K HN 0.446 nan 8.250 nan 0.000 0.440 497 A N 1.389 124.206 122.820 -0.005 0.000 1.933 497 A HA -0.161 4.158 4.320 -0.002 0.000 0.218 497 A C 2.103 179.696 177.584 0.015 0.000 1.175 497 A CA 1.205 53.243 52.037 0.001 0.000 0.628 497 A CB -0.477 18.516 19.000 -0.011 0.000 0.814 497 A HN 0.240 nan 8.150 nan 0.000 0.444 498 L N -0.508 120.730 121.223 0.025 0.000 2.005 498 L HA -0.080 4.259 4.340 -0.002 0.000 0.207 498 L C 2.435 179.317 176.870 0.020 0.000 1.072 498 L CA 2.842 57.703 54.840 0.035 0.000 0.744 498 L CB -1.142 40.951 42.059 0.058 0.000 0.895 498 L HN 0.320 nan 8.230 nan 0.000 0.433 499 T N -0.727 113.836 114.554 0.015 0.000 2.833 499 T HA -0.150 4.199 4.350 -0.002 0.000 0.269 499 T C 1.933 176.631 174.700 -0.004 0.000 1.054 499 T CA 1.430 63.525 62.100 -0.009 0.000 1.135 499 T CB -0.461 68.401 68.868 -0.010 0.000 0.869 499 T HN 0.663 nan 8.240 nan 0.000 0.466 500 S N 1.190 116.895 115.700 0.007 0.000 2.537 500 S HA -0.078 4.391 4.470 -0.002 0.000 0.240 500 S C 1.693 176.299 174.600 0.011 0.000 0.981 500 S CA 0.690 58.896 58.200 0.010 0.000 0.948 500 S CB -0.393 62.815 63.200 0.013 0.000 0.759 500 S HN 0.574 nan 8.310 nan 0.000 0.531 501 Q N -0.167 119.640 119.800 0.012 0.000 2.384 501 Q HA 0.370 4.709 4.340 -0.002 0.000 0.207 501 Q C 0.046 176.055 176.000 0.016 0.000 0.904 501 Q CA -0.200 55.614 55.803 0.018 0.000 0.933 501 Q CB 0.222 28.977 28.738 0.028 0.000 1.077 501 Q HN 0.516 nan 8.270 nan 0.000 0.522 502 L N 3.024 124.249 121.223 0.005 0.000 2.462 502 L HA 0.044 4.383 4.340 -0.002 0.000 0.272 502 L C 0.533 177.407 176.870 0.007 0.000 1.166 502 L CA -0.001 54.839 54.840 0.001 0.000 0.880 502 L CB 0.613 42.658 42.059 -0.024 0.000 1.142 502 L HN 0.151 nan 8.230 nan 0.000 0.473 503 T N -1.336 113.226 114.554 0.013 0.000 2.909 503 T HA 0.167 4.516 4.350 -0.002 0.000 0.289 503 T C 0.722 175.430 174.700 0.013 0.000 1.005 503 T CA -0.858 61.250 62.100 0.014 0.000 1.084 503 T CB 1.256 70.134 68.868 0.017 0.000 0.975 503 T HN 0.558 nan 8.240 nan 0.000 0.509 504 D N 1.400 121.807 120.400 0.012 0.000 2.158 504 D HA -0.110 4.529 4.640 -0.002 0.000 0.197 504 D C 1.705 178.014 176.300 0.015 0.000 0.995 504 D CA 1.339 55.347 54.000 0.013 0.000 0.846 504 D CB -0.151 40.656 40.800 0.012 0.000 0.941 504 D HN 0.740 nan 8.370 nan 0.000 0.456 505 E N 0.593 120.801 120.200 0.013 0.000 2.150 505 E HA -0.115 4.234 4.350 -0.002 0.000 0.193 505 E C 1.807 178.417 176.600 0.017 0.000 0.985 505 E CA 0.798 57.206 56.400 0.012 0.000 0.814 505 E CB -0.149 29.557 29.700 0.010 0.000 0.752 505 E HN 0.414 nan 8.360 nan 0.000 0.466 506 E N 0.174 120.388 120.200 0.022 0.000 2.107 506 E HA -0.068 4.281 4.350 -0.002 0.000 0.191 506 E C 1.931 178.554 176.600 0.037 0.000 0.982 506 E CA 0.498 56.917 56.400 0.032 0.000 0.809 506 E CB -0.044 29.677 29.700 0.035 0.000 0.756 506 E HN 0.194 nan 8.360 nan 0.000 0.459 507 L N 0.632 121.872 121.223 0.029 0.000 2.046 507 L HA -0.193 4.146 4.340 -0.002 0.000 0.208 507 L C 2.592 179.494 176.870 0.053 0.000 1.077 507 L CA 1.054 55.914 54.840 0.034 0.000 0.747 507 L CB -0.530 41.543 42.059 0.023 0.000 0.896 507 L HN 0.152 nan 8.230 nan 0.000 0.432 508 A N -0.273 122.570 122.820 0.038 0.000 1.948 508 A HA -0.279 4.041 4.320 -0.002 0.000 0.220 508 A C 2.207 179.810 177.584 0.033 0.000 1.177 508 A CA 1.786 53.844 52.037 0.034 0.000 0.636 508 A CB -0.529 18.479 19.000 0.013 0.000 0.815 508 A HN 0.536 nan 8.150 nan 0.000 0.449 509 Q N -2.078 117.739 119.800 0.028 0.000 2.364 509 Q HA 0.171 4.510 4.340 -0.002 0.000 0.207 509 Q C 1.262 177.312 176.000 0.083 0.000 0.970 509 Q CA 0.652 56.463 55.803 0.014 0.000 0.888 509 Q CB -0.054 28.696 28.738 0.020 0.000 0.951 509 Q HN 0.954 nan 8.270 nan 0.000 0.469 510 G N 0.844 109.727 108.800 0.139 0.000 2.192 510 G HA2 -0.214 3.745 3.960 -0.002 0.000 0.193 510 G HA3 -0.214 3.745 3.960 -0.002 0.000 0.193 510 G C -0.214 174.811 174.900 0.209 0.000 0.999 510 G CA -0.600 44.642 45.100 0.236 0.000 0.659 510 G HN 0.141 nan 8.290 nan 0.000 0.503 511 R N 0.040 120.622 120.500 0.137 0.000 2.347 511 R HA 0.553 4.892 4.340 -0.002 0.000 0.304 511 R C 1.170 177.482 176.300 0.020 0.000 1.072 511 R CA -0.267 55.900 56.100 0.110 0.000 0.980 511 R CB 0.604 30.963 30.300 0.099 0.000 0.986 511 R HN 0.237 nan 8.270 nan 0.000 0.448 512 L N 3.164 124.343 121.223 -0.075 0.000 2.640 512 L HA 0.234 4.573 4.340 -0.002 0.000 0.230 512 L C -0.529 175.927 176.870 -0.689 0.000 1.123 512 L CA 0.137 54.763 54.840 -0.356 0.000 0.900 512 L CB 0.140 41.915 42.059 -0.473 0.000 1.146 512 L HN 0.592 nan 8.230 nan 0.000 0.484 513 Y N -1.774 118.461 120.300 -0.109 0.000 2.571 513 Y HA 0.418 4.967 4.550 -0.001 0.000 0.341 513 Y C -2.441 173.368 175.900 -0.153 0.000 1.076 513 Y CA -2.680 55.270 58.100 -0.251 0.000 1.029 513 Y CB 1.022 39.166 38.460 -0.527 0.000 1.308 513 Y HN -0.223 nan 8.280 nan 0.000 0.461 514 P HA 0.027 nan 4.420 nan 0.000 0.268 514 P C -2.538 174.874 177.300 0.187 0.000 1.208 514 P CA -0.812 62.342 63.100 0.090 0.000 0.777 514 P CB -0.048 31.713 31.700 0.101 0.000 0.875 515 P HA -0.053 nan 4.420 nan 0.000 0.265 515 P C 0.692 178.111 177.300 0.198 0.000 1.193 515 P CA -0.050 63.151 63.100 0.167 0.000 0.765 515 P CB 0.619 32.382 31.700 0.105 0.000 0.823 516 L N 4.506 125.845 121.223 0.193 0.000 2.127 516 L HA -0.191 4.148 4.340 -0.002 0.000 0.211 516 L C 2.470 179.351 176.870 0.018 0.000 1.089 516 L CA 2.206 57.093 54.840 0.078 0.000 0.757 516 L CB -1.492 40.587 42.059 0.033 0.000 0.899 516 L HN 0.498 nan 8.230 nan 0.000 0.434 517 A N -1.010 121.835 122.820 0.042 0.000 2.076 517 A HA -0.161 4.158 4.320 -0.002 0.000 0.220 517 A C 1.646 179.239 177.584 0.015 0.000 1.160 517 A CA 1.649 53.699 52.037 0.020 0.000 0.653 517 A CB -0.579 18.438 19.000 0.028 0.000 0.801 517 A HN 0.639 nan 8.150 nan 0.000 0.455 518 N N -0.544 118.177 118.700 0.036 0.000 2.321 518 N HA 0.165 4.904 4.740 -0.002 0.000 0.242 518 N C 0.941 176.466 175.510 0.026 0.000 1.141 518 N CA -0.053 53.015 53.050 0.031 0.000 0.864 518 N CB 0.408 38.924 38.487 0.049 0.000 1.100 518 N HN 0.581 nan 8.380 nan 0.000 0.510 519 I N 0.793 121.354 120.570 -0.015 0.000 2.454 519 I HA -0.318 3.851 4.170 -0.002 0.000 0.254 519 I C 1.737 177.812 176.117 -0.069 0.000 1.156 519 I CA 1.395 62.652 61.300 -0.071 0.000 1.433 519 I CB 0.470 38.337 38.000 -0.222 0.000 1.082 519 I HN 0.041 nan 8.210 nan 0.000 0.432 520 Q N 0.978 120.746 119.800 -0.054 0.000 1.993 520 Q HA -0.266 4.074 4.340 -0.002 0.000 0.202 520 Q C 2.009 177.991 176.000 -0.031 0.000 0.984 520 Q CA 2.338 58.112 55.803 -0.048 0.000 0.837 520 Q CB -0.427 28.289 28.738 -0.036 0.000 0.902 520 Q HN 0.681 nan 8.270 nan 0.000 0.423 521 E N 0.077 120.269 120.200 -0.013 0.000 2.110 521 E HA -0.154 4.196 4.350 -0.002 0.000 0.193 521 E C 1.900 178.504 176.600 0.007 0.000 0.988 521 E CA 1.499 57.897 56.400 -0.003 0.000 0.804 521 E CB -0.361 29.342 29.700 0.005 0.000 0.745 521 E HN 0.131 nan 8.360 nan 0.000 0.458 522 V N 1.503 121.430 119.914 0.022 0.000 2.343 522 V HA -0.246 3.873 4.120 -0.002 0.000 0.247 522 V C 2.417 178.524 176.094 0.020 0.000 1.051 522 V CA 2.024 64.352 62.300 0.046 0.000 1.036 522 V CB -0.399 31.495 31.823 0.118 0.000 0.654 522 V HN 0.306 nan 8.190 nan 0.000 0.451 523 S N 0.016 115.706 115.700 -0.017 0.000 2.368 523 S HA -0.096 4.373 4.470 -0.002 0.000 0.224 523 S C 1.929 176.502 174.600 -0.044 0.000 1.029 523 S CA 1.248 59.415 58.200 -0.056 0.000 0.988 523 S CB -0.243 62.891 63.200 -0.109 0.000 0.838 523 S HN 0.392 nan 8.310 nan 0.000 0.462 524 I N 2.784 123.335 120.570 -0.032 0.000 2.226 524 I HA -0.124 4.045 4.170 -0.002 0.000 0.245 524 I C 1.917 178.031 176.117 -0.005 0.000 1.100 524 I CA 1.153 62.441 61.300 -0.020 0.000 1.374 524 I CB -1.598 36.392 38.000 -0.016 0.000 1.057 524 I HN 0.262 nan 8.210 nan 0.000 0.413 525 N N 1.057 119.757 118.700 0.001 0.000 2.188 525 N HA -0.085 4.654 4.740 -0.002 0.000 0.184 525 N C 2.017 177.532 175.510 0.009 0.000 1.018 525 N CA 1.087 54.143 53.050 0.011 0.000 0.858 525 N CB -0.159 38.337 38.487 0.016 0.000 0.989 525 N HN 0.366 nan 8.380 nan 0.000 0.426 526 I N 1.074 121.643 120.570 -0.001 0.000 2.226 526 I HA -0.217 3.953 4.170 -0.002 0.000 0.245 526 I C 2.298 178.404 176.117 -0.019 0.000 1.100 526 I CA 0.874 62.167 61.300 -0.012 0.000 1.374 526 I CB -0.259 37.729 38.000 -0.021 0.000 1.057 526 I HN 0.051 nan 8.210 nan 0.000 0.413 527 A N 1.106 123.914 122.820 -0.020 0.000 1.902 527 A HA -0.168 4.151 4.320 -0.002 0.000 0.217 527 A C 2.279 179.882 177.584 0.032 0.000 1.181 527 A CA 1.473 53.504 52.037 -0.010 0.000 0.623 527 A CB -0.788 18.202 19.000 -0.016 0.000 0.818 527 A HN 0.393 nan 8.150 nan 0.000 0.443 528 I N -0.593 120.001 120.570 0.039 0.000 2.226 528 I HA -0.254 3.915 4.170 -0.002 0.000 0.245 528 I C 2.443 178.600 176.117 0.067 0.000 1.100 528 I CA 1.352 62.691 61.300 0.065 0.000 1.374 528 I CB -0.331 37.701 38.000 0.052 0.000 1.057 528 I HN 0.265 nan 8.210 nan 0.000 0.413 529 K N 0.608 121.036 120.400 0.046 0.000 2.026 529 K HA -0.111 4.208 4.320 -0.002 0.000 0.208 529 K C 2.158 178.803 176.600 0.074 0.000 1.048 529 K CA 1.246 57.563 56.287 0.051 0.000 0.929 529 K CB -0.301 32.213 32.500 0.023 0.000 0.713 529 K HN 0.194 nan 8.250 nan 0.000 0.439 530 V N 1.722 121.661 119.914 0.042 0.000 2.427 530 V HA -0.237 3.882 4.120 -0.002 0.000 0.248 530 V C 2.728 178.891 176.094 0.116 0.000 1.051 530 V CA 2.330 64.661 62.300 0.051 0.000 1.048 530 V CB -0.983 30.816 31.823 -0.041 0.000 0.666 530 V HN 0.564 nan 8.190 nan 0.000 0.456 531 T N -1.528 113.092 114.554 0.111 0.000 2.821 531 T HA -0.215 4.134 4.350 -0.002 0.000 0.267 531 T C 1.652 176.473 174.700 0.202 0.000 1.046 531 T CA 1.645 63.837 62.100 0.153 0.000 1.139 531 T CB -0.403 68.596 68.868 0.218 0.000 0.871 531 T HN 0.595 nan 8.240 nan 0.000 0.454 532 E N -0.079 120.222 120.200 0.168 0.000 2.110 532 E HA -0.121 4.229 4.350 -0.002 0.000 0.193 532 E C 1.901 178.588 176.600 0.145 0.000 0.988 532 E CA 1.288 57.775 56.400 0.145 0.000 0.804 532 E CB -0.332 29.428 29.700 0.100 0.000 0.745 532 E HN 0.682 nan 8.360 nan 0.000 0.458 533 Y N 1.532 121.852 120.300 0.034 0.000 2.163 533 Y HA -0.175 4.374 4.550 -0.002 0.000 0.288 533 Y C 2.000 177.899 175.900 -0.003 0.000 1.136 533 Y CA 1.297 59.403 58.100 0.011 0.000 1.147 533 Y CB -0.225 38.229 38.460 -0.010 0.000 0.987 533 Y HN -0.081 nan 8.280 nan 0.000 0.509 534 L N -1.272 119.952 121.223 0.003 0.000 2.042 534 L HA -0.287 4.052 4.340 -0.002 0.000 0.210 534 L C 2.170 178.890 176.870 -0.249 0.000 1.076 534 L CA 1.769 56.519 54.840 -0.149 0.000 0.749 534 L CB -0.836 41.149 42.059 -0.124 0.000 0.893 534 L HN 0.255 nan 8.230 nan 0.000 0.432 535 Y N -0.572 119.645 120.300 -0.139 0.000 2.220 535 Y HA -0.171 4.378 4.550 -0.002 0.000 0.291 535 Y C 2.623 178.417 175.900 -0.176 0.000 1.129 535 Y CA 0.980 58.982 58.100 -0.162 0.000 1.161 535 Y CB -0.286 38.093 38.460 -0.135 0.000 0.997 535 Y HN 0.118 nan 8.280 nan 0.000 0.522 536 A N 0.001 122.814 122.820 -0.013 0.000 2.019 536 A HA -0.161 4.158 4.320 -0.002 0.000 0.219 536 A C 1.555 179.046 177.584 -0.155 0.000 1.164 536 A CA 1.633 53.625 52.037 -0.076 0.000 0.644 536 A CB -0.448 18.509 19.000 -0.073 0.000 0.805 536 A HN 0.477 nan 8.150 nan 0.000 0.449 537 N N -0.030 118.509 118.700 -0.269 0.000 2.251 537 N HA 0.059 4.798 4.740 -0.002 0.000 0.217 537 N C -0.634 174.756 175.510 -0.201 0.000 1.124 537 N CA -0.001 52.883 53.050 -0.277 0.000 0.843 537 N CB 0.365 38.559 38.487 -0.488 0.000 1.024 537 N HN 0.152 nan 8.380 nan 0.000 0.501 541 F N 1.018 120.879 119.950 -0.150 0.000 2.683 541 F HA 0.310 4.836 4.527 -0.002 0.000 0.306 541 F C 1.199 177.067 175.800 0.112 0.000 1.102 541 F CA -0.246 57.757 58.000 0.004 0.000 1.244 541 F CB 0.683 39.696 39.000 0.021 0.000 1.029 541 F HN 0.552 nan 8.300 nan 0.000 0.545 542 R N 2.159 122.769 120.500 0.183 0.000 2.389 542 R HA 0.156 4.495 4.340 -0.002 0.000 0.295 542 R C -1.237 175.236 176.300 0.289 0.000 1.075 542 R CA 0.001 56.235 56.100 0.223 0.000 1.005 542 R CB 0.091 30.516 30.300 0.208 0.000 0.987 542 R HN 0.327 nan 8.270 nan 0.000 0.452 543 Y N 2.449 122.835 120.300 0.144 0.000 2.499 543 Y HA 0.703 5.252 4.550 -0.001 0.000 0.347 543 Y C -2.543 173.403 175.900 0.076 0.000 0.987 543 Y CA -2.774 55.385 58.100 0.098 0.000 1.044 543 Y CB 0.666 39.177 38.460 0.085 0.000 1.245 543 Y HN 0.482 nan 8.280 nan 0.000 0.461 544 P HA 0.192 nan 4.420 nan 0.000 0.276 544 P C -1.177 176.120 177.300 -0.006 0.000 1.252 544 P CA -0.741 62.449 63.100 0.151 0.000 0.802 544 P CB 0.722 32.477 31.700 0.091 0.000 1.035 545 E N 2.169 122.315 120.200 -0.089 0.000 2.324 545 E HA 0.098 4.447 4.350 -0.002 0.000 0.271 545 E C -1.811 174.523 176.600 -0.444 0.000 1.028 545 E CA -1.684 54.455 56.400 -0.434 0.000 0.890 545 E CB 0.061 29.457 29.700 -0.508 0.000 1.004 545 E HN 0.262 nan 8.360 nan 0.000 0.431 546 P HA 0.003 nan 4.420 nan 0.000 0.271 546 P C 0.033 177.149 177.300 -0.306 0.000 1.216 546 P CA -0.079 62.785 63.100 -0.393 0.000 0.776 546 P CB 1.145 32.526 31.700 -0.531 0.000 0.881 547 E N 1.059 121.160 120.200 -0.165 0.000 2.015 547 E HA -0.130 4.219 4.350 -0.002 0.000 0.191 547 E C 0.291 176.833 176.600 -0.097 0.000 0.991 547 E CA 1.466 57.794 56.400 -0.121 0.000 0.802 547 E CB -0.244 29.415 29.700 -0.069 0.000 0.759 547 E HN 0.552 nan 8.360 nan 0.000 0.447 548 D N 0.415 120.782 120.400 -0.055 0.000 2.467 548 D HA 0.092 4.731 4.640 -0.002 0.000 0.220 548 D C 0.439 176.749 176.300 0.016 0.000 1.103 548 D CA -0.221 53.769 54.000 -0.018 0.000 0.886 548 D CB 0.795 41.598 40.800 0.004 0.000 1.025 548 D HN -0.300 nan 8.370 nan 0.000 0.514 549 K N 2.347 122.747 120.400 -0.001 0.000 2.103 549 K HA -0.067 4.252 4.320 -0.002 0.000 0.207 549 K C 1.858 178.536 176.600 0.131 0.000 1.048 549 K CA 1.405 57.730 56.287 0.063 0.000 0.930 549 K CB -0.278 32.248 32.500 0.043 0.000 0.716 549 K HN 0.472 nan 8.250 nan 0.000 0.444 550 A N 0.979 123.845 122.820 0.075 0.000 1.883 550 A HA -0.245 4.074 4.320 -0.002 0.000 0.217 550 A C 2.137 179.759 177.584 0.064 0.000 1.186 550 A CA 1.988 54.062 52.037 0.062 0.000 0.624 550 A CB -0.460 18.562 19.000 0.036 0.000 0.822 550 A HN 0.308 nan 8.150 nan 0.000 0.444 551 K N -1.968 118.472 120.400 0.066 0.000 2.097 551 K HA -0.177 4.142 4.320 -0.002 0.000 0.205 551 K C 1.927 178.573 176.600 0.077 0.000 1.050 551 K CA 1.466 57.785 56.287 0.054 0.000 0.938 551 K CB -0.362 32.165 32.500 0.045 0.000 0.718 551 K HN 0.512 nan 8.250 nan 0.000 0.442 552 Y N 1.060 121.356 120.300 -0.007 0.000 2.165 552 Y HA -0.252 4.298 4.550 -0.001 0.000 0.286 552 Y C 1.748 177.654 175.900 0.011 0.000 1.155 552 Y CA 1.618 59.718 58.100 0.000 0.000 1.164 552 Y CB -0.236 38.225 38.460 0.001 0.000 0.978 552 Y HN -0.151 nan 8.280 nan 0.000 0.513 553 V N 0.663 120.589 119.914 0.020 0.000 2.323 553 V HA -0.244 3.875 4.120 -0.002 0.000 0.244 553 V C 2.212 178.255 176.094 -0.085 0.000 1.041 553 V CA 2.163 64.424 62.300 -0.066 0.000 1.025 553 V CB -0.527 31.322 31.823 0.043 0.000 0.656 553 V HN 0.300 nan 8.190 nan 0.000 0.451 554 K N 0.033 120.409 120.400 -0.040 0.000 2.147 554 K HA -0.168 4.152 4.320 -0.002 0.000 0.205 554 K C 1.995 178.559 176.600 -0.060 0.000 1.049 554 K CA 1.353 57.615 56.287 -0.041 0.000 0.936 554 K CB -0.154 32.334 32.500 -0.021 0.000 0.722 554 K HN 0.542 nan 8.250 nan 0.000 0.446 555 E N 0.462 120.617 120.200 -0.075 0.000 2.347 555 E HA -0.096 4.254 4.350 -0.002 0.000 0.196 555 E C 1.177 177.714 176.600 -0.104 0.000 1.008 555 E CA 0.576 56.928 56.400 -0.079 0.000 0.852 555 E CB 0.190 29.849 29.700 -0.068 0.000 0.783 555 E HN 0.187 nan 8.360 nan 0.000 0.505 556 R N 0.680 121.093 120.500 -0.146 0.000 2.468 556 R HA 0.061 4.400 4.340 -0.002 0.000 0.280 556 R C 0.056 176.315 176.300 -0.068 0.000 0.963 556 R CA 0.017 56.036 56.100 -0.135 0.000 1.083 556 R CB 0.739 30.893 30.300 -0.244 0.000 1.200 556 R HN 0.016 nan 8.270 nan 0.000 0.541 557 T N -2.210 112.315 114.554 -0.048 0.000 2.856 557 T HA 0.140 4.489 4.350 -0.002 0.000 0.292 557 T C -0.261 174.468 174.700 0.048 0.000 0.980 557 T CA -0.789 61.312 62.100 0.002 0.000 1.091 557 T CB 1.306 70.165 68.868 -0.015 0.000 0.936 557 T HN 0.231 nan 8.240 nan 0.000 0.503 558 W N 3.889 125.126 121.300 -0.105 0.000 2.181 558 W HA 0.427 5.086 4.660 -0.002 0.000 0.335 558 W C -0.130 176.324 176.519 -0.109 0.000 1.310 558 W CA -0.608 56.673 57.345 -0.106 0.000 1.226 558 W CB 0.563 29.945 29.460 -0.130 0.000 1.155 558 W HN 0.546 nan 8.180 nan 0.000 0.565 559 R N 2.724 122.770 120.500 -0.757 0.000 2.778 559 R HA 0.221 4.560 4.340 -0.002 0.000 0.277 559 R C 0.806 176.316 176.300 -1.317 0.000 0.977 559 R CA -0.397 55.276 56.100 -0.710 0.000 0.950 559 R CB 1.146 31.178 30.300 -0.446 0.000 1.165 559 R HN 0.614 nan 8.270 nan 0.000 0.474 560 S N -0.834 114.398 115.700 -0.779 0.000 2.593 560 S HA 0.070 4.540 4.470 -0.002 0.000 0.217 560 S C 0.023 174.311 174.600 -0.520 0.000 0.966 560 S CA -0.180 57.634 58.200 -0.643 0.000 0.914 560 S CB -0.014 63.071 63.200 -0.192 0.000 0.776 560 S HN 0.440 nan 8.310 nan 0.000 0.523 561 E N 1.592 121.507 120.200 -0.474 0.000 2.338 561 E HA 0.314 4.663 4.350 -0.002 0.000 0.272 561 E C -0.695 175.731 176.600 -0.289 0.000 1.029 561 E CA -0.362 55.821 56.400 -0.361 0.000 0.872 561 E CB 0.184 29.741 29.700 -0.238 0.000 1.015 561 E HN 0.475 nan 8.360 nan 0.000 0.417 562 Y N 1.772 121.982 120.300 -0.150 0.000 2.712 562 Y HA -0.037 4.512 4.550 -0.001 0.000 0.333 562 Y C 0.715 176.547 175.900 -0.113 0.000 1.225 562 Y CA 0.063 58.085 58.100 -0.130 0.000 1.499 562 Y CB 0.600 38.986 38.460 -0.122 0.000 1.288 562 Y HN 0.373 nan 8.280 nan 0.000 0.575 563 D N 0.835 121.292 120.400 0.095 0.000 2.268 563 D HA 0.097 4.737 4.640 -0.002 0.000 0.249 563 D C -0.598 175.726 176.300 0.041 0.000 1.008 563 D CA -0.442 53.578 54.000 0.035 0.000 0.939 563 D CB 1.825 42.640 40.800 0.024 0.000 1.170 563 D HN 0.359 nan 8.370 nan 0.000 0.468 564 S N 0.476 116.196 115.700 0.034 0.000 2.523 564 S HA 0.202 4.671 4.470 -0.002 0.000 0.275 564 S C 0.931 175.563 174.600 0.054 0.000 1.281 564 S CA -0.493 57.731 58.200 0.040 0.000 1.050 564 S CB 0.170 63.390 63.200 0.034 0.000 0.937 564 S HN 0.326 nan 8.310 nan 0.000 0.492 565 L N 4.989 126.257 121.223 0.075 0.000 2.667 565 L HA 0.327 4.666 4.340 -0.002 0.000 0.232 565 L C -0.015 176.896 176.870 0.068 0.000 1.138 565 L CA -0.109 54.785 54.840 0.090 0.000 0.921 565 L CB -0.051 42.100 42.059 0.153 0.000 1.180 565 L HN 0.497 nan 8.230 nan 0.000 0.487 566 L N 2.598 123.854 121.223 0.056 0.000 2.416 566 L HA 0.177 4.516 4.340 -0.002 0.000 0.272 566 L C -1.485 175.410 176.870 0.041 0.000 1.161 566 L CA -1.455 53.410 54.840 0.042 0.000 0.845 566 L CB 0.126 42.209 42.059 0.039 0.000 1.119 566 L HN -0.018 nan 8.230 nan 0.000 0.464 567 P HA 0.018 nan 4.420 nan 0.000 0.274 567 P C -0.860 176.473 177.300 0.055 0.000 1.231 567 P CA -0.482 62.639 63.100 0.035 0.000 0.790 567 P CB 0.791 32.498 31.700 0.012 0.000 0.951 568 D N 1.526 121.979 120.400 0.088 0.000 2.348 568 D HA 0.140 4.780 4.640 -0.002 0.000 0.259 568 D C -0.611 175.808 176.300 0.198 0.000 1.296 568 D CA 0.100 54.197 54.000 0.161 0.000 0.931 568 D CB 0.210 41.132 40.800 0.203 0.000 1.067 568 D HN -0.039 nan 8.370 nan 0.000 0.503 569 V N 6.027 126.032 119.914 0.151 0.000 2.398 569 V HA 0.470 4.589 4.120 -0.002 0.000 0.286 569 V C -0.478 175.709 176.094 0.155 0.000 1.026 569 V CA -0.608 61.712 62.300 0.034 0.000 0.868 569 V CB 0.939 32.751 31.823 -0.019 0.000 0.982 569 V HN 0.416 nan 8.190 nan 0.000 0.443 570 Y N 0.833 121.125 120.300 -0.013 0.000 2.592 570 Y HA 0.653 5.203 4.550 -0.001 0.000 0.334 570 Y C -0.613 175.305 175.900 0.030 0.000 1.136 570 Y CA -1.274 56.841 58.100 0.024 0.000 1.042 570 Y CB 1.207 39.705 38.460 0.062 0.000 1.325 570 Y HN 0.544 nan 8.280 nan 0.000 0.457 571 E N 1.654 121.965 120.200 0.185 0.000 2.354 571 E HA 0.142 4.491 4.350 -0.002 0.000 0.269 571 E C -1.385 175.426 176.600 0.352 0.000 1.036 571 E CA -0.435 56.056 56.400 0.152 0.000 0.876 571 E CB 0.619 30.397 29.700 0.131 0.000 1.009 571 E HN 0.581 nan 8.360 nan 0.000 0.416 572 W N 3.417 124.742 121.300 0.041 0.000 2.438 572 W HA 0.321 4.980 4.660 -0.001 0.000 0.324 572 W C -1.495 175.054 176.519 0.049 0.000 1.119 572 W CA -2.208 55.175 57.345 0.065 0.000 1.221 572 W CB -0.164 29.308 29.460 0.020 0.000 1.253 572 W HN 0.584 nan 8.180 nan 0.000 0.555 573 P HA 0.000 nan 4.420 nan 0.000 0.216 573 P CA 0.000 63.142 63.100 0.071 0.000 0.800 573 P CB 0.000 31.689 31.700 -0.018 0.000 0.726