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 3jro_1_A DATA FIRST_RESID 8 DATA SEQUENCE HNELIHDAVL DYYGKRLATC SSDKTIKIFE VEGETHKLID TLTGHEGPVW DATA SEQUENCE RVDWAHPKFG TILASCSYDG KVLIWKEENG RWSQIAVHAV HSASVNSVQW DATA SEQUENCE APHEYGPLLL VASSDGKVSV VEFKENGTTS PIIIDAHAIG VNSASWAPAT DATA SEQUENCE XXXXXXXXXT KESRKFVTGG ADNLVKIWKY NSDAQTYVLE STLEGHSDWV DATA SEQUENCE RDVAWSPTVL LRSYLASVSQ DRTCIIWTQD NEQGPWKKTL LKEEKFPDVL DATA SEQUENCE WRASWSLSGN VLALSGGDNK VTLWKENLEG KWEPAGEVHX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXIDNAK LIXKERRFTA SYTFAKFSTG DATA SEQUENCE SXLLTKDIVG KSGVSIKRLP TELQRKFLFD DVYLDKEIEK VTIEARKSNP DATA SEQUENCE YPQISESSLL FKDALDYXEK TSSDYNLWKL SSILFDPVSY PYKTDNDQVK DATA SEQUENCE XALLKKERHC RLTSWIVSQI GPEIEEKIRN SSNEIEQIFL YLLLNDVVRA DATA SEQUENCE SKLAIESKNG HLSVLISYLG SNDPRIRDLA ELQLQKWSTG GCSIDKNISK DATA SEQUENCE IYKLLSGSPF EGLFSLKELE SEFSWLCLLN LTLCYGQIDE YSLESLVQSH DATA SEQUENCE LDKFSLPYDD PIGVIFQLYA ANENTEKLYK EVRQRTNALD VQFCWYLIQT DATA SEQUENCE LRFNGTRVFS KETSDEATFA FAAQLEFAQL HGHSLFVSCF LNDDKAAEDT DATA SEQUENCE IKRLVXREIT LLRASTNDHI LNRLKIPSQL IFNAQALKDR YEGNYL 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 8 H HA 0.000 nan 4.556 nan 0.000 0.296 8 H C 0.000 175.335 175.328 0.012 0.000 0.993 8 H CA 0.000 56.056 56.048 0.013 0.000 1.023 8 H CB 0.000 29.772 29.762 0.017 0.000 1.292 9 N N 0.227 118.937 118.700 0.016 0.000 4.104 9 N HA 0.523 5.264 4.740 0.000 0.000 0.214 9 N C -0.343 175.181 175.510 0.023 0.000 1.270 9 N CA 0.057 53.116 53.050 0.015 0.000 0.894 9 N CB 0.503 38.995 38.487 0.007 0.000 1.495 9 N HN 1.666 nan 8.380 nan 0.000 0.506 10 E N 0.455 120.669 120.200 0.024 0.000 3.025 10 E HA 0.154 4.504 4.350 0.000 0.000 0.248 10 E C -0.498 176.132 176.600 0.049 0.000 0.938 10 E CA 0.119 56.540 56.400 0.036 0.000 0.958 10 E CB 0.005 29.724 29.700 0.030 0.000 0.898 10 E HN 0.715 nan 8.360 nan 0.000 0.537 11 L N 4.759 126.025 121.223 0.070 0.000 2.408 11 L HA 0.581 4.922 4.340 0.000 0.000 0.268 11 L C -1.141 175.814 176.870 0.142 0.000 0.986 11 L CA -0.819 54.084 54.840 0.105 0.000 0.820 11 L CB 1.639 43.761 42.059 0.105 0.000 1.303 11 L HN 0.713 nan 8.230 nan 0.000 0.411 12 I N 2.066 122.758 120.570 0.204 0.000 3.516 12 I HA 0.415 4.585 4.170 0.000 0.000 0.297 12 I C -0.147 176.166 176.117 0.327 0.000 1.139 12 I CA -0.676 60.757 61.300 0.222 0.000 1.020 12 I CB 1.886 40.004 38.000 0.197 0.000 1.341 12 I HN 0.786 nan 8.210 nan 0.000 0.490 13 H N -0.905 118.249 119.070 0.140 0.000 2.381 13 H HA 0.262 4.818 4.556 0.000 0.000 0.252 13 H C -0.631 174.571 175.328 -0.209 0.000 0.920 13 H CA 0.133 56.326 56.048 0.241 0.000 1.100 13 H CB 1.112 31.016 29.762 0.237 0.000 1.435 13 H HN 0.586 nan 8.280 nan 0.000 0.454 14 D N -0.437 119.814 120.400 -0.248 0.000 2.596 14 D HA 0.665 5.305 4.640 0.000 0.000 0.262 14 D C -1.554 174.490 176.300 -0.426 0.000 1.210 14 D CA -0.021 53.634 54.000 -0.575 0.000 0.873 14 D CB 2.200 42.958 40.800 -0.070 0.000 1.408 14 D HN 0.416 nan 8.370 nan 0.000 0.441 15 A N -0.002 122.643 122.820 -0.292 0.000 2.597 15 A HA 0.659 4.979 4.320 0.000 0.000 0.292 15 A C -1.909 175.753 177.584 0.130 0.000 1.057 15 A CA -0.484 51.555 52.037 0.003 0.000 0.674 15 A CB 1.309 20.384 19.000 0.125 0.000 1.278 15 A HN 0.435 nan 8.150 nan 0.000 0.416 16 V N 1.606 121.661 119.914 0.236 0.000 2.817 16 V HA 0.395 4.515 4.120 0.000 0.000 0.303 16 V C -0.556 175.839 176.094 0.502 0.000 1.151 16 V CA -0.318 62.185 62.300 0.338 0.000 0.929 16 V CB 1.765 33.789 31.823 0.334 0.000 1.030 16 V HN 0.874 nan 8.190 nan 0.000 0.427 17 L N 3.522 124.964 121.223 0.365 0.000 2.439 17 L HA 0.547 4.888 4.340 0.000 0.000 0.259 17 L C 0.276 177.232 176.870 0.143 0.000 1.129 17 L CA -0.394 54.589 54.840 0.238 0.000 0.803 17 L CB 1.413 43.556 42.059 0.140 0.000 1.161 17 L HN 0.867 nan 8.230 nan 0.000 0.462 18 D N -1.068 119.217 120.400 -0.193 0.000 2.511 18 D HA -0.017 4.623 4.640 0.000 0.000 0.283 18 D C 0.760 176.939 176.300 -0.202 0.000 1.198 18 D CA -0.175 53.645 54.000 -0.301 0.000 1.097 18 D CB -0.026 40.328 40.800 -0.742 0.000 1.160 18 D HN 0.391 nan 8.370 nan 0.000 0.589 19 Y N -1.300 118.715 120.300 -0.476 0.000 2.274 19 Y HA -0.116 4.434 4.550 0.000 0.000 0.290 19 Y C 1.277 176.713 175.900 -0.773 0.000 1.145 19 Y CA 1.486 59.182 58.100 -0.673 0.000 1.203 19 Y CB -0.001 37.833 38.460 -1.044 0.000 0.984 19 Y HN 0.354 nan 8.280 nan 0.000 0.533 20 Y N -2.113 118.015 120.300 -0.287 0.000 2.426 20 Y HA 0.316 4.866 4.550 0.000 0.000 0.249 20 Y C 1.665 177.426 175.900 -0.232 0.000 1.103 20 Y CA 0.022 57.928 58.100 -0.323 0.000 1.256 20 Y CB 0.621 38.760 38.460 -0.535 0.000 1.208 20 Y HN -0.036 nan 8.280 nan 0.000 0.519 21 G N 1.773 110.516 108.800 -0.095 0.000 2.272 21 G HA2 -0.343 3.617 3.960 0.000 0.000 0.280 21 G HA3 -0.343 3.617 3.960 0.000 0.000 0.280 21 G C 0.558 175.442 174.900 -0.027 0.000 1.067 21 G CA 0.639 45.712 45.100 -0.045 0.000 0.902 21 G HN 0.435 nan 8.290 nan 0.000 0.500 22 K N -0.807 119.569 120.400 -0.039 0.000 2.438 22 K HA 0.275 4.595 4.320 0.000 0.000 0.205 22 K C 0.747 177.385 176.600 0.063 0.000 1.033 22 K CA -0.268 56.018 56.287 -0.002 0.000 1.089 22 K CB 0.374 32.848 32.500 -0.044 0.000 0.857 22 K HN 0.393 nan 8.250 nan 0.000 0.522 23 R N 1.057 121.567 120.500 0.016 0.000 2.510 23 R HA 0.277 4.617 4.340 0.000 0.000 0.294 23 R C -1.653 174.740 176.300 0.154 0.000 1.056 23 R CA -0.760 55.383 56.100 0.072 0.000 0.918 23 R CB 1.625 31.867 30.300 -0.095 0.000 1.187 23 R HN -0.049 nan 8.270 nan 0.000 0.437 24 L N 1.922 123.343 121.223 0.329 0.000 2.352 24 L HA 0.898 5.238 4.340 0.000 0.000 0.269 24 L C -1.042 176.167 176.870 0.565 0.000 1.034 24 L CA -0.317 54.785 54.840 0.436 0.000 0.806 24 L CB 1.956 44.232 42.059 0.360 0.000 1.244 24 L HN 0.775 nan 8.230 nan 0.000 0.447 25 A N 1.192 124.306 122.820 0.490 0.000 2.455 25 A HA 0.781 5.101 4.320 0.000 0.000 0.300 25 A C -0.867 176.840 177.584 0.205 0.000 1.040 25 A CA 0.032 52.237 52.037 0.280 0.000 0.697 25 A CB 1.437 20.485 19.000 0.079 0.000 1.265 25 A HN 0.835 nan 8.150 nan 0.000 0.407 26 T N -1.677 112.965 114.554 0.147 0.000 2.900 26 T HA 0.650 5.000 4.350 0.000 0.000 0.295 26 T C -0.447 174.258 174.700 0.008 0.000 1.044 26 T CA -0.415 61.755 62.100 0.117 0.000 0.995 26 T CB 0.912 69.920 68.868 0.233 0.000 1.072 26 T HN 1.850 nan 8.240 nan 0.000 0.473 27 C N 1.257 120.553 119.300 -0.008 0.000 2.660 27 C HA 0.842 5.302 4.460 0.000 0.000 0.336 27 C C 0.331 175.314 174.990 -0.011 0.000 1.058 27 C CA -0.780 58.208 59.018 -0.050 0.000 1.368 27 C CB -0.673 27.014 27.740 -0.089 0.000 1.884 27 C HN 1.109 nan 8.230 nan 0.000 0.454 28 S N 1.817 117.513 115.700 -0.007 0.000 2.758 28 S HA 0.543 5.013 4.470 0.000 0.000 0.292 28 S C 0.699 175.270 174.600 -0.049 0.000 1.131 28 S CA -0.405 57.811 58.200 0.026 0.000 0.997 28 S CB 1.113 64.344 63.200 0.052 0.000 1.111 28 S HN 0.675 nan 8.310 nan 0.000 0.552 29 S N 1.246 116.928 115.700 -0.030 0.000 2.660 29 S HA -0.015 4.455 4.470 0.000 0.000 0.228 29 S C 0.634 175.170 174.600 -0.107 0.000 0.966 29 S CA 0.581 58.714 58.200 -0.112 0.000 0.940 29 S CB -0.798 62.364 63.200 -0.063 0.000 0.773 29 S HN 0.802 nan 8.310 nan 0.000 0.535 30 D N 0.943 121.300 120.400 -0.073 0.000 2.325 30 D HA 0.033 4.673 4.640 0.000 0.000 0.234 30 D C 0.223 176.481 176.300 -0.071 0.000 1.122 30 D CA -0.135 53.830 54.000 -0.058 0.000 0.850 30 D CB -0.520 40.261 40.800 -0.031 0.000 0.921 30 D HN 0.175 nan 8.370 nan 0.000 0.513 31 K N -0.714 119.619 120.400 -0.111 0.000 3.088 31 K HA -0.172 4.148 4.320 0.000 0.000 0.273 31 K C -0.283 176.296 176.600 -0.035 0.000 1.111 31 K CA 1.234 57.468 56.287 -0.089 0.000 0.803 31 K CB -2.539 29.935 32.500 -0.043 0.000 1.226 31 K HN 0.618 nan 8.250 nan 0.000 0.485 32 T N -2.622 111.888 114.554 -0.074 0.000 2.883 32 T HA 0.750 5.100 4.350 0.000 0.000 0.301 32 T C -0.178 174.436 174.700 -0.144 0.000 1.158 32 T CA -1.230 60.814 62.100 -0.094 0.000 1.007 32 T CB 2.134 70.946 68.868 -0.094 0.000 1.186 32 T HN 0.030 nan 8.240 nan 0.000 0.499 33 I N 0.787 121.208 120.570 -0.249 0.000 2.822 33 I HA 0.590 4.760 4.170 0.000 0.000 0.312 33 I C -0.005 175.911 176.117 -0.335 0.000 1.011 33 I CA -1.124 59.990 61.300 -0.310 0.000 1.105 33 I CB 1.697 39.391 38.000 -0.511 0.000 1.291 33 I HN 0.761 nan 8.210 nan 0.000 0.474 34 K N 3.626 123.845 120.400 -0.301 0.000 2.637 34 K HA 0.481 4.801 4.320 0.000 0.000 0.248 34 K C -1.312 174.964 176.600 -0.541 0.000 0.971 34 K CA -0.639 55.390 56.287 -0.431 0.000 0.858 34 K CB 2.214 34.553 32.500 -0.267 0.000 1.170 34 K HN 0.309 nan 8.250 nan 0.000 0.443 35 I N 4.091 124.284 120.570 -0.629 0.000 2.325 35 I HA 0.311 4.481 4.170 0.000 0.000 0.291 35 I C -0.267 175.615 176.117 -0.391 0.000 1.019 35 I CA -0.272 60.811 61.300 -0.361 0.000 1.302 35 I CB -0.116 37.672 38.000 -0.353 0.000 1.401 35 I HN 0.443 nan 8.210 nan 0.000 0.485 36 F N 3.970 124.016 119.950 0.161 0.000 2.495 36 F HA 0.361 4.888 4.527 0.000 0.000 0.327 36 F C 0.732 176.619 175.800 0.146 0.000 1.103 36 F CA -0.780 57.305 58.000 0.142 0.000 0.949 36 F CB 1.548 40.632 39.000 0.139 0.000 1.142 36 F HN 0.364 nan 8.300 nan 0.000 0.457 37 E N 2.598 122.983 120.200 0.308 0.000 2.001 37 E HA 0.285 4.635 4.350 0.000 0.000 0.279 37 E C -0.956 175.731 176.600 0.144 0.000 1.045 37 E CA -0.455 56.094 56.400 0.247 0.000 0.833 37 E CB 1.293 31.135 29.700 0.236 0.000 1.077 37 E HN 0.267 nan 8.360 nan 0.000 0.397 38 V N 3.518 123.466 119.914 0.057 0.000 2.488 38 V HA 0.101 4.221 4.120 0.000 0.000 0.277 38 V C 0.173 176.251 176.094 -0.027 0.000 1.046 38 V CA 0.011 62.245 62.300 -0.110 0.000 0.986 38 V CB 1.027 32.732 31.823 -0.196 0.000 0.989 38 V HN 0.597 nan 8.190 nan 0.000 0.475 39 E N 4.203 124.388 120.200 -0.024 0.000 2.621 39 E HA 0.545 4.895 4.350 0.000 0.000 0.263 39 E C 0.127 176.740 176.600 0.020 0.000 1.033 39 E CA 0.614 57.024 56.400 0.017 0.000 0.778 39 E CB 0.761 30.492 29.700 0.052 0.000 1.426 39 E HN 1.005 nan 8.360 nan 0.000 0.394 40 G N 3.129 111.940 108.800 0.018 0.000 2.553 40 G HA2 -0.312 3.649 3.960 0.000 0.000 0.242 40 G HA3 -0.312 3.649 3.960 0.000 0.000 0.242 40 G C 0.488 175.424 174.900 0.061 0.000 1.277 40 G CA 0.022 45.144 45.100 0.036 0.000 0.910 40 G HN 0.493 nan 8.290 nan 0.000 0.576 41 E N 0.823 121.064 120.200 0.069 0.000 2.505 41 E HA 0.154 4.505 4.350 0.000 0.000 0.197 41 E C 0.798 177.480 176.600 0.136 0.000 1.111 41 E CA 0.891 57.348 56.400 0.095 0.000 0.887 41 E CB -0.116 29.618 29.700 0.056 0.000 0.913 41 E HN 0.445 nan 8.360 nan 0.000 0.517 42 T N -0.422 114.215 114.554 0.139 0.000 2.952 42 T HA 0.385 4.735 4.350 0.000 0.000 0.286 42 T C -0.619 174.222 174.700 0.235 0.000 1.024 42 T CA -0.627 61.570 62.100 0.162 0.000 1.029 42 T CB 1.159 70.086 68.868 0.097 0.000 1.094 42 T HN 0.033 nan 8.240 nan 0.000 0.515 43 H N 0.696 119.777 119.070 0.018 0.000 3.078 43 H HA 0.378 4.935 4.556 0.000 0.000 0.319 43 H C -0.481 174.926 175.328 0.131 0.000 0.995 43 H CA -0.524 55.530 56.048 0.010 0.000 1.417 43 H CB 0.973 30.626 29.762 -0.182 0.000 1.598 43 H HN 0.362 nan 8.280 nan 0.000 0.515 44 K N 3.690 124.246 120.400 0.261 0.000 2.248 44 K HA 0.282 4.603 4.320 0.000 0.000 0.281 44 K C -0.715 176.146 176.600 0.435 0.000 1.054 44 K CA -0.905 55.552 56.287 0.285 0.000 0.903 44 K CB 0.716 33.324 32.500 0.180 0.000 1.077 44 K HN 0.344 nan 8.250 nan 0.000 0.474 45 L N 6.544 127.989 121.223 0.370 0.000 2.290 45 L HA 0.157 4.498 4.340 0.000 0.000 0.284 45 L C 0.433 177.307 176.870 0.006 0.000 1.078 45 L CA 0.159 55.070 54.840 0.118 0.000 0.815 45 L CB 0.765 42.904 42.059 0.134 0.000 1.162 45 L HN 0.782 nan 8.230 nan 0.000 0.435 46 I N 2.235 122.753 120.570 -0.087 0.000 2.947 46 I HA 0.277 4.447 4.170 0.000 0.000 0.263 46 I C 0.095 176.208 176.117 -0.006 0.000 1.130 46 I CA 0.590 61.899 61.300 0.015 0.000 1.448 46 I CB -0.380 37.702 38.000 0.135 0.000 1.222 46 I HN 0.673 nan 8.210 nan 0.000 0.453 47 D N -1.097 119.228 120.400 -0.126 0.000 2.685 47 D HA 0.263 4.904 4.640 0.000 0.000 0.236 47 D C -1.019 175.101 176.300 -0.300 0.000 1.233 47 D CA -0.137 53.782 54.000 -0.136 0.000 0.760 47 D CB 1.726 42.528 40.800 0.004 0.000 1.410 47 D HN -0.159 nan 8.370 nan 0.000 0.439 48 T N 1.525 115.937 114.554 -0.237 0.000 2.929 48 T HA 0.636 4.987 4.350 0.000 0.000 0.284 48 T C -0.268 174.242 174.700 -0.318 0.000 1.014 48 T CA -0.635 61.300 62.100 -0.276 0.000 1.051 48 T CB 0.737 69.504 68.868 -0.168 0.000 1.028 48 T HN 0.205 nan 8.240 nan 0.000 0.485 49 L N 1.675 122.652 121.223 -0.410 0.000 2.325 49 L HA 0.400 4.740 4.340 0.000 0.000 0.281 49 L C 0.891 177.606 176.870 -0.258 0.000 1.004 49 L CA -0.566 53.960 54.840 -0.523 0.000 0.823 49 L CB 1.661 43.045 42.059 -1.125 0.000 1.236 49 L HN 0.709 nan 8.230 nan 0.000 0.415 50 T N 1.167 115.670 114.554 -0.085 0.000 3.069 50 T HA 0.035 4.385 4.350 0.000 0.000 0.252 50 T C 1.744 176.502 174.700 0.095 0.000 1.053 50 T CA 0.646 62.752 62.100 0.010 0.000 0.964 50 T CB 0.402 69.277 68.868 0.011 0.000 1.005 50 T HN 0.894 nan 8.240 nan 0.000 0.532 51 G N 1.174 110.120 108.800 0.244 0.000 2.545 51 G HA2 -0.202 3.758 3.960 0.000 0.000 0.222 51 G HA3 -0.202 3.758 3.960 0.000 0.000 0.222 51 G C 0.690 175.594 174.900 0.006 0.000 1.126 51 G CA 0.841 46.070 45.100 0.214 0.000 0.754 51 G HN 0.461 nan 8.290 nan 0.000 0.583 52 H N -0.356 118.772 119.070 0.097 0.000 2.546 52 H HA 0.276 4.832 4.556 0.000 0.000 0.365 52 H C 0.609 175.922 175.328 -0.026 0.000 1.220 52 H CA 0.256 56.313 56.048 0.015 0.000 1.386 52 H CB 1.228 30.974 29.762 -0.028 0.000 1.510 52 H HN 0.313 nan 8.280 nan 0.000 0.591 53 E N 0.374 120.644 120.200 0.117 0.000 2.526 53 E HA 0.219 4.569 4.350 0.000 0.000 0.208 53 E C 0.577 177.178 176.600 0.002 0.000 0.997 53 E CA -0.263 56.158 56.400 0.034 0.000 0.961 53 E CB 1.295 31.003 29.700 0.012 0.000 1.030 53 E HN 0.681 nan 8.360 nan 0.000 0.483 54 G N 1.352 110.133 108.800 -0.032 0.000 2.727 54 G HA2 0.388 4.348 3.960 0.000 0.000 0.289 54 G HA3 0.388 4.348 3.960 0.000 0.000 0.289 54 G C -3.034 171.679 174.900 -0.312 0.000 1.418 54 G CA -1.534 43.489 45.100 -0.127 0.000 0.818 54 G HN -0.269 nan 8.290 nan 0.000 0.486 55 P HA 0.210 nan 4.420 nan 0.000 0.262 55 P C 0.041 176.748 177.300 -0.988 0.000 1.199 55 P CA -0.181 62.498 63.100 -0.701 0.000 0.763 55 P CB 0.822 31.964 31.700 -0.930 0.000 0.790 56 V N 5.034 124.535 119.914 -0.688 0.000 2.439 56 V HA 0.033 4.153 4.120 0.000 0.000 0.271 56 V C 1.150 176.953 176.094 -0.484 0.000 1.040 56 V CA 0.118 62.018 62.300 -0.666 0.000 1.002 56 V CB -0.215 31.333 31.823 -0.459 0.000 1.000 56 V HN 0.711 nan 8.190 nan 0.000 0.477 57 W N 3.648 124.676 121.300 -0.454 0.000 2.484 57 W HA 0.132 4.792 4.660 0.000 0.000 0.320 57 W C 1.281 177.598 176.519 -0.337 0.000 1.159 57 W CA -0.207 56.739 57.345 -0.666 0.000 1.352 57 W CB 0.130 29.245 29.460 -0.575 0.000 1.185 57 W HN 0.419 nan 8.180 nan 0.000 0.470 58 R N -0.493 120.057 120.500 0.083 0.000 2.888 58 R HA 0.546 4.886 4.340 0.000 0.000 0.266 58 R C -0.798 175.522 176.300 0.034 0.000 1.020 58 R CA -0.744 55.407 56.100 0.084 0.000 0.963 58 R CB 2.188 32.559 30.300 0.119 0.000 1.197 58 R HN -0.140 nan 8.270 nan 0.000 0.481 59 V N -2.362 117.572 119.914 0.033 0.000 3.160 59 V HA 0.760 4.880 4.120 0.000 0.000 0.310 59 V C -1.381 174.754 176.094 0.068 0.000 1.181 59 V CA -0.720 61.589 62.300 0.016 0.000 1.047 59 V CB 2.444 34.223 31.823 -0.073 0.000 1.068 59 V HN 0.758 nan 8.190 nan 0.000 0.441 60 D N -0.147 120.303 120.400 0.083 0.000 2.747 60 D HA 0.371 5.011 4.640 0.000 0.000 0.218 60 D C -1.808 174.700 176.300 0.346 0.000 1.230 60 D CA -0.183 53.965 54.000 0.247 0.000 0.774 60 D CB 1.535 42.539 40.800 0.340 0.000 1.667 60 D HN 0.672 nan 8.370 nan 0.000 0.499 61 W N 1.929 123.438 121.300 0.348 0.000 2.303 61 W HA 0.689 5.349 4.660 0.000 0.000 0.334 61 W C 0.712 177.168 176.519 -0.104 0.000 1.197 61 W CA -0.500 56.947 57.345 0.171 0.000 1.262 61 W CB 1.095 30.625 29.460 0.117 0.000 1.153 61 W HN 0.412 nan 8.180 nan 0.000 0.596 62 A N 1.821 124.388 122.820 -0.421 0.000 2.282 62 A HA 0.278 4.598 4.320 0.000 0.000 0.319 62 A C -0.411 177.096 177.584 -0.128 0.000 1.121 62 A CA -0.650 50.881 52.037 -0.844 0.000 0.836 62 A CB 0.282 18.179 19.000 -1.838 0.000 1.146 62 A HN 0.700 nan 8.150 nan 0.000 0.494 63 H N 1.178 120.219 119.070 -0.048 0.000 3.094 63 H HA 0.028 4.584 4.556 0.000 0.000 0.320 63 H C -1.881 173.291 175.328 -0.261 0.000 1.000 63 H CA -0.629 55.330 56.048 -0.149 0.000 1.413 63 H CB 0.813 30.469 29.762 -0.176 0.000 1.405 63 H HN 0.189 nan 8.280 nan 0.000 0.586 64 P HA -0.042 nan 4.420 nan 0.000 0.259 64 P C 0.531 177.659 177.300 -0.287 0.000 1.307 64 P CA 0.835 63.716 63.100 -0.366 0.000 0.768 64 P CB -0.286 31.178 31.700 -0.394 0.000 1.199 65 K N -1.591 118.651 120.400 -0.263 0.000 2.358 65 K HA 0.158 4.478 4.320 0.000 0.000 0.197 65 K C 0.558 176.885 176.600 -0.454 0.000 1.025 65 K CA 0.200 56.279 56.287 -0.347 0.000 1.104 65 K CB -0.181 32.051 32.500 -0.446 0.000 0.855 65 K HN 0.098 nan 8.250 nan 0.000 0.531 66 F N 0.848 120.806 119.950 0.014 0.000 2.682 66 F HA 0.364 4.891 4.527 0.000 0.000 0.308 66 F C 1.018 176.806 175.800 -0.020 0.000 1.093 66 F CA -0.051 57.943 58.000 -0.010 0.000 1.244 66 F CB 1.582 40.560 39.000 -0.036 0.000 1.052 66 F HN 0.291 nan 8.300 nan 0.000 0.573 67 G N 0.293 109.151 108.800 0.097 0.000 2.352 67 G HA2 -0.097 3.863 3.960 0.000 0.000 0.324 67 G HA3 -0.097 3.863 3.960 0.000 0.000 0.324 67 G C -0.755 174.203 174.900 0.097 0.000 1.249 67 G CA -0.850 44.293 45.100 0.072 0.000 1.053 67 G HN -0.135 nan 8.290 nan 0.000 0.492 68 T N 1.219 115.841 114.554 0.113 0.000 3.145 68 T HA 0.597 4.947 4.350 0.000 0.000 0.348 68 T C -0.156 174.761 174.700 0.361 0.000 1.299 68 T CA 0.197 62.444 62.100 0.245 0.000 1.037 68 T CB 0.143 69.100 68.868 0.148 0.000 1.122 68 T HN 0.547 nan 8.240 nan 0.000 0.600 69 I N 2.954 123.738 120.570 0.357 0.000 2.603 69 I HA 0.659 4.829 4.170 0.000 0.000 0.300 69 I C -0.748 175.507 176.117 0.230 0.000 1.017 69 I CA -1.047 60.406 61.300 0.254 0.000 1.098 69 I CB 2.102 40.097 38.000 -0.008 0.000 1.279 69 I HN 0.332 nan 8.210 nan 0.000 0.437 70 L N 4.962 126.308 121.223 0.206 0.000 2.464 70 L HA 0.908 5.249 4.340 0.000 0.000 0.266 70 L C -1.033 176.034 176.870 0.328 0.000 0.965 70 L CA -0.305 54.550 54.840 0.025 0.000 0.833 70 L CB 1.758 43.528 42.059 -0.482 0.000 1.296 70 L HN 0.693 nan 8.230 nan 0.000 0.405 71 A N 2.820 125.871 122.820 0.385 0.000 2.324 71 A HA 0.917 5.237 4.320 0.000 0.000 0.330 71 A C -0.779 176.922 177.584 0.195 0.000 1.165 71 A CA 0.017 52.227 52.037 0.288 0.000 0.813 71 A CB 1.178 20.258 19.000 0.133 0.000 1.197 71 A HN 0.941 nan 8.150 nan 0.000 0.484 72 S N 0.133 115.974 115.700 0.235 0.000 2.548 72 S HA 0.658 5.128 4.470 0.000 0.000 0.276 72 S C -0.375 174.348 174.600 0.205 0.000 1.129 72 S CA -0.471 57.854 58.200 0.208 0.000 0.931 72 S CB 0.411 63.785 63.200 0.290 0.000 1.068 72 S HN 1.685 nan 8.310 nan 0.000 0.480 73 C N 0.506 119.834 119.300 0.046 0.000 2.595 73 C HA 1.015 5.475 4.460 0.000 0.000 0.338 73 C C 0.319 175.151 174.990 -0.264 0.000 1.219 73 C CA -0.549 58.463 59.018 -0.011 0.000 1.811 73 C CB 0.964 28.707 27.740 0.004 0.000 2.313 73 C HN 1.083 nan 8.230 nan 0.000 0.499 74 S N -1.262 114.251 115.700 -0.312 0.000 2.776 74 S HA 0.455 4.925 4.470 0.000 0.000 0.292 74 S C -0.305 174.022 174.600 -0.456 0.000 1.187 74 S CA -0.338 57.492 58.200 -0.616 0.000 0.834 74 S CB 0.802 63.570 63.200 -0.720 0.000 1.199 74 S HN 0.921 nan 8.310 nan 0.000 0.514 75 Y N 1.693 121.560 120.300 -0.722 0.000 2.574 75 Y HA 0.033 4.583 4.550 0.000 0.000 0.294 75 Y C 1.300 177.087 175.900 -0.188 0.000 1.142 75 Y CA 2.084 59.944 58.100 -0.401 0.000 1.314 75 Y CB -0.173 38.032 38.460 -0.424 0.000 0.991 75 Y HN 0.724 nan 8.280 nan 0.000 0.555 76 D N -1.555 118.741 120.400 -0.173 0.000 2.324 76 D HA 0.105 4.745 4.640 0.000 0.000 0.235 76 D C 1.756 177.982 176.300 -0.124 0.000 1.095 76 D CA 0.593 54.510 54.000 -0.138 0.000 0.871 76 D CB -0.866 39.913 40.800 -0.035 0.000 0.906 76 D HN 0.272 nan 8.370 nan 0.000 0.522 77 G N 0.459 109.172 108.800 -0.144 0.000 2.269 77 G HA2 -0.356 3.604 3.960 0.000 0.000 0.277 77 G HA3 -0.356 3.604 3.960 0.000 0.000 0.277 77 G C -0.050 174.816 174.900 -0.056 0.000 1.008 77 G CA 0.382 45.420 45.100 -0.102 0.000 0.774 77 G HN 0.481 nan 8.290 nan 0.000 0.511 78 K N -0.005 120.382 120.400 -0.023 0.000 2.450 78 K HA 0.516 4.836 4.320 0.000 0.000 0.257 78 K C -0.119 176.523 176.600 0.070 0.000 0.953 78 K CA -0.881 55.405 56.287 -0.003 0.000 0.844 78 K CB 2.695 35.180 32.500 -0.025 0.000 1.103 78 K HN 0.016 nan 8.250 nan 0.000 0.429 79 V N 5.229 125.183 119.914 0.066 0.000 2.461 79 V HA 0.267 4.387 4.120 0.000 0.000 0.275 79 V C 0.155 176.286 176.094 0.062 0.000 1.047 79 V CA -0.498 61.871 62.300 0.115 0.000 0.955 79 V CB 0.615 32.537 31.823 0.165 0.000 0.988 79 V HN 0.591 nan 8.190 nan 0.000 0.471 80 L N 5.453 126.693 121.223 0.029 0.000 2.330 80 L HA 0.627 4.967 4.340 0.000 0.000 0.271 80 L C -0.761 175.988 176.870 -0.201 0.000 1.013 80 L CA -0.784 53.934 54.840 -0.203 0.000 0.816 80 L CB 2.017 43.818 42.059 -0.430 0.000 1.287 80 L HN 0.380 nan 8.230 nan 0.000 0.435 81 I N 1.105 121.441 120.570 -0.391 0.000 2.411 81 I HA 0.252 4.422 4.170 0.000 0.000 0.284 81 I C -0.888 175.059 176.117 -0.284 0.000 1.012 81 I CA -0.519 60.648 61.300 -0.223 0.000 1.119 81 I CB 1.021 38.838 38.000 -0.305 0.000 1.261 81 I HN 0.517 nan 8.210 nan 0.000 0.448 82 W N 5.914 127.241 121.300 0.045 0.000 2.516 82 W HA 0.683 5.343 4.660 0.000 0.000 0.343 82 W C 0.336 177.005 176.519 0.251 0.000 1.094 82 W CA -0.619 56.799 57.345 0.121 0.000 1.250 82 W CB 1.328 30.821 29.460 0.055 0.000 1.308 82 W HN 0.329 nan 8.180 nan 0.000 0.588 83 K N 1.168 121.902 120.400 0.557 0.000 2.527 83 K HA 0.222 4.542 4.320 0.000 0.000 0.260 83 K C -1.339 175.321 176.600 0.100 0.000 0.937 83 K CA -0.671 55.830 56.287 0.356 0.000 0.826 83 K CB 2.051 34.639 32.500 0.146 0.000 1.359 83 K HN 0.544 nan 8.250 nan 0.000 0.434 84 E N 2.975 122.961 120.200 -0.357 0.000 2.109 84 E HA 0.105 4.455 4.350 0.000 0.000 0.278 84 E C -1.386 174.979 176.600 -0.393 0.000 0.954 84 E CA -0.392 55.499 56.400 -0.849 0.000 0.779 84 E CB 1.440 30.282 29.700 -1.430 0.000 1.093 84 E HN 0.466 nan 8.360 nan 0.000 0.401 85 E N 4.319 124.342 120.200 -0.296 0.000 2.092 85 E HA 0.097 4.447 4.350 0.000 0.000 0.271 85 E C -0.438 176.051 176.600 -0.185 0.000 0.919 85 E CA -0.361 55.933 56.400 -0.177 0.000 0.760 85 E CB 0.290 29.930 29.700 -0.100 0.000 1.106 85 E HN 0.604 nan 8.360 nan 0.000 0.408 86 N N 3.584 122.180 118.700 -0.173 0.000 2.701 86 N HA -0.328 4.412 4.740 0.000 0.000 0.250 86 N C 0.798 176.196 175.510 -0.187 0.000 1.046 86 N CA 1.205 54.160 53.050 -0.158 0.000 0.733 86 N CB -1.728 36.693 38.487 -0.109 0.000 0.973 86 N HN 0.869 nan 8.380 nan 0.000 0.541 87 G N -0.867 107.769 108.800 -0.274 0.000 2.399 87 G HA2 -0.318 3.643 3.960 0.000 0.000 0.216 87 G HA3 -0.318 3.643 3.960 0.000 0.000 0.216 87 G C 0.030 174.727 174.900 -0.339 0.000 1.096 87 G CA 0.130 45.055 45.100 -0.291 0.000 0.650 87 G HN 0.472 nan 8.290 nan 0.000 0.512 88 R N 0.668 121.031 120.500 -0.230 0.000 2.421 88 R HA 0.252 4.592 4.340 0.000 0.000 0.305 88 R C -0.347 175.853 176.300 -0.167 0.000 1.039 88 R CA -0.226 55.797 56.100 -0.128 0.000 1.003 88 R CB -0.123 30.144 30.300 -0.056 0.000 0.959 88 R HN 0.416 nan 8.270 nan 0.000 0.427 89 W N 1.644 122.971 121.300 0.045 0.000 2.315 89 W HA 0.210 4.870 4.660 0.000 0.000 0.316 89 W C 0.314 176.915 176.519 0.136 0.000 1.211 89 W CA 0.045 57.444 57.345 0.091 0.000 1.201 89 W CB 1.177 30.670 29.460 0.055 0.000 1.184 89 W HN 0.529 nan 8.180 nan 0.000 0.544 90 S N 1.750 117.743 115.700 0.488 0.000 2.543 90 S HA 0.180 4.650 4.470 0.000 0.000 0.273 90 S C -1.154 173.602 174.600 0.260 0.000 1.152 90 S CA -1.208 57.186 58.200 0.323 0.000 0.910 90 S CB 1.445 64.736 63.200 0.151 0.000 1.105 90 S HN 0.554 nan 8.310 nan 0.000 0.465 91 Q N 2.283 122.109 119.800 0.043 0.000 2.263 91 Q HA 0.265 4.606 4.340 0.000 0.000 0.270 91 Q C 0.896 176.780 176.000 -0.194 0.000 1.104 91 Q CA -0.145 55.444 55.803 -0.356 0.000 0.909 91 Q CB 0.168 28.529 28.738 -0.628 0.000 1.214 91 Q HN 0.853 nan 8.270 nan 0.000 0.400 92 I N 0.754 121.220 120.570 -0.173 0.000 3.645 92 I HA 0.466 4.636 4.170 0.000 0.000 0.300 92 I C 0.394 176.432 176.117 -0.131 0.000 1.260 92 I CA 0.022 61.258 61.300 -0.106 0.000 1.365 92 I CB 0.418 38.381 38.000 -0.061 0.000 1.077 92 I HN 0.438 nan 8.210 nan 0.000 0.439 93 A N 0.355 123.053 122.820 -0.203 0.000 2.536 93 A HA 0.789 5.109 4.320 0.000 0.000 0.293 93 A C -1.431 176.057 177.584 -0.159 0.000 1.119 93 A CA -0.318 51.636 52.037 -0.140 0.000 0.654 93 A CB 1.773 20.695 19.000 -0.130 0.000 1.291 93 A HN 0.122 nan 8.150 nan 0.000 0.439 94 V N -0.137 119.762 119.914 -0.024 0.000 2.969 94 V HA 0.701 4.821 4.120 0.000 0.000 0.304 94 V C -1.902 174.283 176.094 0.151 0.000 1.192 94 V CA -0.249 62.044 62.300 -0.013 0.000 0.962 94 V CB 2.195 33.971 31.823 -0.077 0.000 1.045 94 V HN 1.605 nan 8.190 nan 0.000 0.428 95 H N 5.130 124.226 119.070 0.044 0.000 3.036 95 H HA 0.814 5.370 4.556 0.000 0.000 0.295 95 H C -0.585 174.776 175.328 0.054 0.000 1.124 95 H CA 0.461 56.556 56.048 0.079 0.000 1.507 95 H CB 1.391 31.247 29.762 0.157 0.000 1.591 95 H HN 0.984 nan 8.280 nan 0.000 0.510 96 A N 4.491 127.142 122.820 -0.282 0.000 2.586 96 A HA 0.471 4.791 4.320 0.000 0.000 0.320 96 A C 0.040 177.468 177.584 -0.260 0.000 1.281 96 A CA -0.070 51.825 52.037 -0.237 0.000 0.775 96 A CB -0.023 18.908 19.000 -0.116 0.000 1.122 96 A HN 0.841 nan 8.150 nan 0.000 0.470 97 V N -1.226 118.481 119.914 -0.345 0.000 3.166 97 V HA 0.410 4.530 4.120 0.000 0.000 0.332 97 V C -0.136 175.727 176.094 -0.385 0.000 1.434 97 V CA -0.108 61.995 62.300 -0.328 0.000 1.121 97 V CB -0.981 30.626 31.823 -0.359 0.000 1.062 97 V HN 0.704 nan 8.190 nan 0.000 0.489 98 H N 1.027 119.998 119.070 -0.166 0.000 2.469 98 H HA 0.432 4.988 4.556 0.000 0.000 0.342 98 H C 0.924 176.189 175.328 -0.106 0.000 1.115 98 H CA 0.424 56.403 56.048 -0.116 0.000 1.204 98 H CB 2.458 32.158 29.762 -0.104 0.000 1.492 98 H HN 0.410 nan 8.280 nan 0.000 0.499 99 S N 1.607 117.311 115.700 0.007 0.000 2.489 99 S HA 0.144 4.614 4.470 0.000 0.000 0.228 99 S C 1.042 175.617 174.600 -0.041 0.000 0.995 99 S CA 0.270 58.453 58.200 -0.029 0.000 0.934 99 S CB 0.344 63.525 63.200 -0.033 0.000 0.771 99 S HN 0.616 nan 8.310 nan 0.000 0.522 100 A N 1.319 124.126 122.820 -0.021 0.000 2.889 100 A HA 0.798 5.118 4.320 0.000 0.000 0.235 100 A C 0.022 177.535 177.584 -0.117 0.000 1.307 100 A CA -0.414 51.578 52.037 -0.075 0.000 0.917 100 A CB 0.460 19.442 19.000 -0.032 0.000 1.546 100 A HN 0.301 nan 8.150 nan 0.000 0.472 101 S N -0.618 114.999 115.700 -0.139 0.000 2.537 101 S HA 0.487 4.957 4.470 0.000 0.000 0.275 101 S C -0.183 174.399 174.600 -0.030 0.000 1.272 101 S CA -0.529 57.604 58.200 -0.111 0.000 1.050 101 S CB 0.102 63.305 63.200 0.005 0.000 0.961 101 S HN 0.676 nan 8.310 nan 0.000 0.496 102 V N 5.694 125.573 119.914 -0.057 0.000 2.834 102 V HA 0.301 4.421 4.120 0.000 0.000 0.301 102 V C 0.659 176.810 176.094 0.094 0.000 1.066 102 V CA -0.049 62.195 62.300 -0.093 0.000 1.052 102 V CB 1.233 32.968 31.823 -0.146 0.000 1.021 102 V HN 1.065 nan 8.190 nan 0.000 0.480 103 N N 0.401 119.114 118.700 0.021 0.000 2.804 103 N HA 0.083 4.824 4.740 0.000 0.000 0.250 103 N C -0.069 175.461 175.510 0.032 0.000 1.024 103 N CA 0.251 53.332 53.050 0.051 0.000 0.995 103 N CB 0.439 38.895 38.487 -0.053 0.000 1.690 103 N HN 0.704 nan 8.380 nan 0.000 0.515 104 S N 1.140 116.834 115.700 -0.010 0.000 2.473 104 S HA 0.681 5.151 4.470 0.000 0.000 0.307 104 S C -0.603 173.985 174.600 -0.020 0.000 1.094 104 S CA -0.722 57.482 58.200 0.007 0.000 1.070 104 S CB 1.667 64.871 63.200 0.007 0.000 1.019 104 S HN 0.073 nan 8.310 nan 0.000 0.480 105 V N 0.509 120.426 119.914 0.006 0.000 2.569 105 V HA 0.748 4.868 4.120 0.000 0.000 0.301 105 V C -0.839 175.260 176.094 0.008 0.000 1.044 105 V CA -0.554 61.723 62.300 -0.039 0.000 0.874 105 V CB 0.886 32.680 31.823 -0.049 0.000 1.002 105 V HN 1.086 nan 8.190 nan 0.000 0.424 106 Q N 3.616 123.420 119.800 0.007 0.000 2.284 106 Q HA 0.470 4.810 4.340 0.000 0.000 0.269 106 Q C -2.044 174.086 176.000 0.217 0.000 1.026 106 Q CA -0.555 55.360 55.803 0.187 0.000 0.831 106 Q CB 2.312 31.241 28.738 0.319 0.000 1.322 106 Q HN 0.836 nan 8.270 nan 0.000 0.419 107 W N 2.484 123.918 121.300 0.224 0.000 2.304 107 W HA 0.527 5.187 4.660 0.000 0.000 0.313 107 W C 0.720 177.073 176.519 -0.276 0.000 1.323 107 W CA -0.161 57.222 57.345 0.063 0.000 1.223 107 W CB 0.709 30.245 29.460 0.126 0.000 1.237 107 W HN 0.685 nan 8.180 nan 0.000 0.535 108 A N 5.705 128.070 122.820 -0.758 0.000 2.475 108 A HA 0.263 4.583 4.320 0.000 0.000 0.239 108 A C -2.017 175.178 177.584 -0.649 0.000 1.087 108 A CA -0.953 50.122 52.037 -1.603 0.000 0.779 108 A CB -0.648 16.996 19.000 -2.259 0.000 1.036 108 A HN 0.450 nan 8.150 nan 0.000 0.506 109 P HA -0.026 nan 4.420 nan 0.000 0.266 109 P C 0.727 177.801 177.300 -0.376 0.000 1.193 109 P CA 0.425 63.224 63.100 -0.501 0.000 0.770 109 P CB 0.173 31.429 31.700 -0.740 0.000 0.836 110 H N 1.881 120.860 119.070 -0.151 0.000 2.489 110 H HA -0.129 4.427 4.556 0.000 0.000 0.295 110 H C 0.613 175.944 175.328 0.004 0.000 1.082 110 H CA 1.354 57.344 56.048 -0.097 0.000 1.295 110 H CB -0.365 29.009 29.762 -0.646 0.000 1.380 110 H HN 0.410 nan 8.280 nan 0.000 0.548 111 E N 0.806 120.779 120.200 -0.379 0.000 2.338 111 E HA -0.083 4.267 4.350 0.000 0.000 0.197 111 E C 1.001 177.753 176.600 0.252 0.000 1.007 111 E CA 0.785 57.156 56.400 -0.049 0.000 0.849 111 E CB -0.206 29.460 29.700 -0.057 0.000 0.774 111 E HN 0.730 nan 8.360 nan 0.000 0.506 112 Y N -0.254 119.971 120.300 -0.126 0.000 2.461 112 Y HA 0.237 4.787 4.550 0.000 0.000 0.277 112 Y C 1.267 177.121 175.900 -0.076 0.000 1.182 112 Y CA -0.590 57.432 58.100 -0.130 0.000 1.276 112 Y CB 0.331 38.639 38.460 -0.252 0.000 1.087 112 Y HN 0.059 nan 8.280 nan 0.000 0.519 113 G N 1.640 110.554 108.800 0.190 0.000 2.741 113 G HA2 -0.256 3.704 3.960 0.000 0.000 0.222 113 G HA3 -0.256 3.704 3.960 0.000 0.000 0.222 113 G C -2.796 172.005 174.900 -0.165 0.000 1.364 113 G CA -1.196 43.979 45.100 0.124 0.000 0.866 113 G HN 0.059 nan 8.290 nan 0.000 0.555 114 P HA 0.387 nan 4.420 nan 0.000 0.244 114 P C -0.439 176.863 177.300 0.003 0.000 1.723 114 P CA -0.046 62.668 63.100 -0.644 0.000 1.110 114 P CB 0.109 31.404 31.700 -0.674 0.000 1.972 115 L N 3.312 124.588 121.223 0.087 0.000 2.346 115 L HA 0.606 4.946 4.340 0.000 0.000 0.276 115 L C -0.944 175.973 176.870 0.079 0.000 1.006 115 L CA -1.079 53.802 54.840 0.067 0.000 0.817 115 L CB 1.618 43.663 42.059 -0.023 0.000 1.272 115 L HN -0.000 nan 8.230 nan 0.000 0.421 116 L N 4.720 125.936 121.223 -0.011 0.000 2.362 116 L HA 0.669 5.009 4.340 0.000 0.000 0.271 116 L C -1.412 175.461 176.870 0.004 0.000 1.002 116 L CA -0.454 54.263 54.840 -0.204 0.000 0.818 116 L CB 1.858 43.552 42.059 -0.609 0.000 1.298 116 L HN 0.636 nan 8.230 nan 0.000 0.420 117 L N 5.021 126.292 121.223 0.081 0.000 2.325 117 L HA 0.828 5.168 4.340 0.000 0.000 0.278 117 L C -1.253 175.494 176.870 -0.206 0.000 1.023 117 L CA -0.240 54.495 54.840 -0.176 0.000 0.811 117 L CB 1.853 43.613 42.059 -0.499 0.000 1.249 117 L HN 0.426 nan 8.230 nan 0.000 0.431 118 V N 4.410 124.190 119.914 -0.223 0.000 2.668 118 V HA 0.843 4.963 4.120 0.000 0.000 0.304 118 V C -0.436 175.568 176.094 -0.150 0.000 1.071 118 V CA -0.280 61.938 62.300 -0.138 0.000 0.894 118 V CB 1.489 33.299 31.823 -0.022 0.000 1.008 118 V HN 1.013 nan 8.190 nan 0.000 0.425 119 A N 3.287 126.012 122.820 -0.159 0.000 2.356 119 A HA 0.992 5.312 4.320 0.000 0.000 0.323 119 A C -0.332 177.129 177.584 -0.204 0.000 1.119 119 A CA -0.441 51.514 52.037 -0.136 0.000 0.790 119 A CB 2.167 21.122 19.000 -0.077 0.000 1.273 119 A HN 0.877 nan 8.150 nan 0.000 0.452 120 S N -0.543 115.052 115.700 -0.175 0.000 2.685 120 S HA 0.539 5.010 4.470 0.000 0.000 0.282 120 S C 0.546 175.102 174.600 -0.073 0.000 1.159 120 S CA 0.125 58.216 58.200 -0.182 0.000 0.833 120 S CB 1.555 64.556 63.200 -0.333 0.000 1.151 120 S HN 0.697 nan 8.310 nan 0.000 0.485 121 S N 1.149 116.818 115.700 -0.051 0.000 2.593 121 S HA 0.015 4.485 4.470 0.000 0.000 0.217 121 S C 0.759 175.348 174.600 -0.019 0.000 0.966 121 S CA 0.554 58.725 58.200 -0.048 0.000 0.914 121 S CB -0.336 62.859 63.200 -0.009 0.000 0.776 121 S HN 0.770 nan 8.310 nan 0.000 0.523 122 D N 0.839 121.250 120.400 0.019 0.000 2.349 122 D HA 0.153 4.793 4.640 0.000 0.000 0.224 122 D C 1.269 177.594 176.300 0.042 0.000 1.029 122 D CA 0.686 54.709 54.000 0.037 0.000 0.879 122 D CB -0.634 40.205 40.800 0.065 0.000 0.906 122 D HN 0.326 nan 8.370 nan 0.000 0.528 123 G N -0.118 108.707 108.800 0.043 0.000 2.141 123 G HA2 -0.265 3.695 3.960 0.000 0.000 0.242 123 G HA3 -0.265 3.695 3.960 0.000 0.000 0.242 123 G C 0.005 174.958 174.900 0.088 0.000 0.982 123 G CA 0.092 45.234 45.100 0.070 0.000 0.662 123 G HN 0.483 nan 8.290 nan 0.000 0.527 124 K N -0.626 119.831 120.400 0.095 0.000 2.267 124 K HA 0.777 5.097 4.320 0.000 0.000 0.246 124 K C -0.658 176.007 176.600 0.109 0.000 0.954 124 K CA -0.970 55.366 56.287 0.081 0.000 0.824 124 K CB 3.091 35.626 32.500 0.059 0.000 1.167 124 K HN 0.066 nan 8.250 nan 0.000 0.431 125 V N 1.473 121.395 119.914 0.014 0.000 2.638 125 V HA 0.363 4.483 4.120 0.000 0.000 0.306 125 V C -0.778 175.272 176.094 -0.074 0.000 1.052 125 V CA -0.758 61.518 62.300 -0.039 0.000 0.885 125 V CB 1.800 33.538 31.823 -0.141 0.000 0.999 125 V HN 0.971 nan 8.190 nan 0.000 0.424 126 S N 3.382 119.069 115.700 -0.022 0.000 2.536 126 S HA 0.857 5.327 4.470 0.000 0.000 0.298 126 S C -1.044 173.464 174.600 -0.154 0.000 1.083 126 S CA -0.812 57.371 58.200 -0.029 0.000 0.995 126 S CB 2.105 65.406 63.200 0.168 0.000 1.058 126 S HN 0.422 nan 8.310 nan 0.000 0.488 127 V N 2.661 122.485 119.914 -0.150 0.000 2.376 127 V HA 0.451 4.571 4.120 0.000 0.000 0.287 127 V C -0.773 175.240 176.094 -0.135 0.000 1.015 127 V CA -0.546 61.671 62.300 -0.139 0.000 0.834 127 V CB 1.436 33.212 31.823 -0.079 0.000 1.001 127 V HN 0.862 nan 8.190 nan 0.000 0.428 128 V N 4.970 124.725 119.914 -0.265 0.000 2.435 128 V HA 0.452 4.572 4.120 0.000 0.000 0.290 128 V C 0.026 175.836 176.094 -0.475 0.000 1.030 128 V CA -0.692 61.324 62.300 -0.473 0.000 0.881 128 V CB 1.889 33.206 31.823 -0.844 0.000 0.983 128 V HN 0.846 nan 8.190 nan 0.000 0.445 129 E N 4.340 124.271 120.200 -0.449 0.000 2.109 129 E HA 0.427 4.777 4.350 0.000 0.000 0.278 129 E C -1.522 174.836 176.600 -0.403 0.000 0.954 129 E CA -0.340 55.879 56.400 -0.302 0.000 0.779 129 E CB 1.446 31.065 29.700 -0.135 0.000 1.093 129 E HN 0.486 nan 8.360 nan 0.000 0.401 130 F N 2.721 122.659 119.950 -0.020 0.000 2.385 130 F HA 0.360 4.887 4.527 0.000 0.000 0.360 130 F C 0.366 176.152 175.800 -0.024 0.000 1.122 130 F CA -0.592 57.405 58.000 -0.006 0.000 1.090 130 F CB 1.087 40.112 39.000 0.042 0.000 1.150 130 F HN 0.073 nan 8.300 nan 0.000 0.472 131 K N 3.432 123.918 120.400 0.145 0.000 2.652 131 K HA 0.172 4.492 4.320 0.000 0.000 0.249 131 K C 0.325 176.975 176.600 0.083 0.000 0.986 131 K CA -0.424 55.916 56.287 0.088 0.000 0.867 131 K CB 1.966 34.492 32.500 0.043 0.000 1.201 131 K HN 0.617 nan 8.250 nan 0.000 0.450 132 E N 0.915 121.164 120.200 0.082 0.000 2.085 132 E HA -0.219 4.131 4.350 0.000 0.000 0.194 132 E C 0.939 177.568 176.600 0.048 0.000 0.994 132 E CA 1.340 57.779 56.400 0.065 0.000 0.801 132 E CB 0.184 29.917 29.700 0.055 0.000 0.743 132 E HN 0.398 nan 8.360 nan 0.000 0.453 133 N N 0.115 118.842 118.700 0.045 0.000 2.333 133 N HA -0.007 4.733 4.740 0.000 0.000 0.183 133 N C 0.950 176.479 175.510 0.032 0.000 1.030 133 N CA 0.766 53.837 53.050 0.036 0.000 0.867 133 N CB -0.558 37.951 38.487 0.036 0.000 1.027 133 N HN 0.041 nan 8.380 nan 0.000 0.435 134 G N 0.729 109.550 108.800 0.034 0.000 2.664 134 G HA2 0.213 4.174 3.960 0.000 0.000 0.242 134 G HA3 0.213 4.174 3.960 0.000 0.000 0.242 134 G C 0.134 175.046 174.900 0.020 0.000 1.225 134 G CA -0.066 45.050 45.100 0.026 0.000 0.849 134 G HN 0.274 nan 8.290 nan 0.000 0.581 135 T N -1.897 112.663 114.554 0.011 0.000 2.899 135 T HA 0.512 4.862 4.350 0.000 0.000 0.295 135 T C 0.407 175.101 174.700 -0.009 0.000 1.033 135 T CA -0.014 62.088 62.100 0.003 0.000 1.084 135 T CB 1.288 70.157 68.868 0.002 0.000 0.979 135 T HN 0.838 nan 8.240 nan 0.000 0.532 136 T N -0.979 113.563 114.554 -0.020 0.000 2.792 136 T HA 0.628 4.978 4.350 0.000 0.000 0.280 136 T C -0.385 174.282 174.700 -0.056 0.000 0.990 136 T CA -0.914 61.153 62.100 -0.055 0.000 0.960 136 T CB 1.095 69.920 68.868 -0.070 0.000 0.939 136 T HN 0.913 nan 8.240 nan 0.000 0.439 137 S N 2.472 118.133 115.700 -0.065 0.000 2.652 137 S HA 0.582 5.052 4.470 0.000 0.000 0.252 137 S C -3.024 171.545 174.600 -0.051 0.000 1.219 137 S CA -1.162 57.013 58.200 -0.041 0.000 1.151 137 S CB 0.598 63.794 63.200 -0.008 0.000 1.080 137 S HN 0.577 nan 8.310 nan 0.000 0.481 138 P HA 0.561 nan 4.420 nan 0.000 0.274 138 P C -0.584 176.708 177.300 -0.014 0.000 1.246 138 P CA -0.567 62.489 63.100 -0.075 0.000 0.795 138 P CB 0.497 32.158 31.700 -0.065 0.000 1.006 139 I N 0.263 120.832 120.570 -0.001 0.000 3.074 139 I HA 0.643 4.813 4.170 0.000 0.000 0.310 139 I C -0.766 175.349 176.117 -0.002 0.000 1.153 139 I CA -1.003 60.319 61.300 0.036 0.000 0.993 139 I CB 2.147 40.232 38.000 0.141 0.000 1.237 139 I HN 0.174 nan 8.210 nan 0.000 0.443 140 I N 3.684 124.245 120.570 -0.015 0.000 2.828 140 I HA 0.586 4.756 4.170 0.000 0.000 0.295 140 I C -1.820 174.246 176.117 -0.086 0.000 1.459 140 I CA -0.393 60.871 61.300 -0.060 0.000 1.015 140 I CB 2.232 40.185 38.000 -0.077 0.000 1.345 140 I HN 0.519 nan 8.210 nan 0.000 0.449 141 I N 1.863 122.351 120.570 -0.138 0.000 2.692 141 I HA 0.561 4.731 4.170 0.000 0.000 0.293 141 I C -1.475 174.549 176.117 -0.155 0.000 1.200 141 I CA -0.696 60.488 61.300 -0.194 0.000 1.036 141 I CB 2.247 39.992 38.000 -0.425 0.000 1.258 141 I HN 0.290 nan 8.210 nan 0.000 0.421 142 D N 5.056 125.404 120.400 -0.086 0.000 2.383 142 D HA 0.338 4.978 4.640 0.000 0.000 0.245 142 D C 0.867 177.184 176.300 0.029 0.000 1.263 142 D CA 0.247 54.236 54.000 -0.018 0.000 0.936 142 D CB 1.842 42.647 40.800 0.008 0.000 1.053 142 D HN 0.749 nan 8.370 nan 0.000 0.507 143 A N 3.473 126.318 122.820 0.042 0.000 1.862 143 A HA 0.008 4.328 4.320 0.000 0.000 0.211 143 A C 0.605 178.182 177.584 -0.011 0.000 1.220 143 A CA 1.048 53.190 52.037 0.174 0.000 0.616 143 A CB -0.023 19.112 19.000 0.225 0.000 0.878 143 A HN 0.548 nan 8.150 nan 0.000 0.453 144 H N -4.201 114.940 119.070 0.118 0.000 2.896 144 H HA 0.685 5.241 4.556 0.000 0.000 0.318 144 H C 1.066 176.405 175.328 0.018 0.000 1.409 144 H CA -0.109 55.970 56.048 0.051 0.000 1.328 144 H CB 1.682 31.444 29.762 -0.001 0.000 1.940 144 H HN 0.210 nan 8.280 nan 0.000 0.665 145 A N 0.360 123.273 122.820 0.155 0.000 1.887 145 A HA 0.046 4.366 4.320 0.000 0.000 0.210 145 A C 1.401 179.010 177.584 0.041 0.000 1.221 145 A CA 0.808 52.889 52.037 0.075 0.000 0.635 145 A CB 0.033 19.071 19.000 0.063 0.000 0.881 145 A HN 0.530 nan 8.150 nan 0.000 0.456 146 I N -0.946 119.624 120.570 0.000 0.000 3.603 146 I HA 0.280 4.450 4.170 0.000 0.000 0.297 146 I C 1.134 177.180 176.117 -0.118 0.000 1.269 146 I CA 1.272 62.545 61.300 -0.045 0.000 1.361 146 I CB -1.094 36.872 38.000 -0.057 0.000 1.063 146 I HN 0.424 nan 8.210 nan 0.000 0.448 147 G N 0.421 109.146 108.800 -0.125 0.000 2.361 147 G HA2 0.224 4.184 3.960 0.000 0.000 0.305 147 G HA3 0.224 4.184 3.960 0.000 0.000 0.305 147 G C -1.635 173.142 174.900 -0.205 0.000 1.367 147 G CA -0.708 44.304 45.100 -0.147 0.000 0.951 147 G HN -0.228 nan 8.290 nan 0.000 0.615 148 V N 1.899 121.721 119.914 -0.154 0.000 2.349 148 V HA 0.340 4.460 4.120 0.000 0.000 0.284 148 V C 0.710 176.690 176.094 -0.188 0.000 1.014 148 V CA -0.842 61.354 62.300 -0.173 0.000 0.826 148 V CB 1.278 33.129 31.823 0.045 0.000 1.009 148 V HN 0.713 nan 8.190 nan 0.000 0.431 149 N N 2.002 120.548 118.700 -0.257 0.000 2.216 149 N HA -0.011 4.729 4.740 0.000 0.000 0.183 149 N C 0.743 176.200 175.510 -0.087 0.000 1.017 149 N CA 0.876 53.821 53.050 -0.176 0.000 0.861 149 N CB 0.504 38.890 38.487 -0.169 0.000 0.986 149 N HN 0.649 nan 8.380 nan 0.000 0.428 150 S N -1.675 113.988 115.700 -0.061 0.000 2.615 150 S HA 0.701 5.171 4.470 0.000 0.000 0.268 150 S C -2.102 172.519 174.600 0.036 0.000 1.146 150 S CA -0.403 57.797 58.200 -0.001 0.000 0.818 150 S CB 1.477 64.700 63.200 0.038 0.000 1.111 150 S HN 0.264 nan 8.310 nan 0.000 0.465 151 A N 1.182 124.030 122.820 0.046 0.000 2.577 151 A HA 0.819 5.139 4.320 0.000 0.000 0.297 151 A C -0.840 176.773 177.584 0.049 0.000 1.060 151 A CA -0.251 51.830 52.037 0.074 0.000 0.697 151 A CB 1.428 20.440 19.000 0.020 0.000 1.281 151 A HN 1.178 nan 8.150 nan 0.000 0.402 152 S N 0.247 116.030 115.700 0.137 0.000 2.549 152 S HA 0.718 5.188 4.470 0.000 0.000 0.280 152 S C -1.512 173.223 174.600 0.225 0.000 1.109 152 S CA -0.391 57.925 58.200 0.194 0.000 0.905 152 S CB 0.609 64.008 63.200 0.331 0.000 1.081 152 S HN 0.655 nan 8.310 nan 0.000 0.477 153 W N 2.707 124.133 121.300 0.210 0.000 2.218 153 W HA 0.580 5.240 4.660 0.000 0.000 0.326 153 W C 0.688 177.247 176.519 0.067 0.000 1.276 153 W CA -0.218 57.216 57.345 0.148 0.000 1.210 153 W CB 0.677 30.162 29.460 0.042 0.000 1.143 153 W HN 0.817 nan 8.180 nan 0.000 0.563 154 A N 4.743 127.607 122.820 0.072 0.000 2.286 154 A HA 0.618 4.938 4.320 0.000 0.000 0.286 154 A C -2.321 175.095 177.584 -0.280 0.000 1.097 154 A CA -1.569 50.090 52.037 -0.631 0.000 0.821 154 A CB -0.160 17.833 19.000 -1.678 0.000 1.076 154 A HN 0.412 nan 8.150 nan 0.000 0.490 155 P HA 0.283 nan 4.420 nan 0.000 0.266 155 P C 0.038 177.286 177.300 -0.087 0.000 1.195 155 P CA 0.301 63.325 63.100 -0.126 0.000 0.768 155 P CB 0.544 32.209 31.700 -0.059 0.000 0.838 156 A N 2.917 125.685 122.820 -0.087 0.000 2.475 156 A HA 0.451 4.771 4.320 0.000 0.000 0.239 156 A C 0.777 178.400 177.584 0.065 0.000 1.087 156 A CA 0.568 52.634 52.037 0.049 0.000 0.779 156 A CB -0.467 18.529 19.000 -0.006 0.000 1.036 156 A HN 0.640 nan 8.150 nan 0.000 0.506 168 K N 0.954 121.303 120.400 -0.085 0.000 2.476 168 K HA 0.142 4.462 4.320 0.000 0.000 0.196 168 K C 1.101 177.658 176.600 -0.071 0.000 1.025 168 K CA 0.169 56.329 56.287 -0.212 0.000 1.138 168 K CB 0.254 32.541 32.500 -0.355 0.000 0.860 168 K HN 0.445 nan 8.250 nan 0.000 0.515 169 E N 0.562 120.784 120.200 0.037 0.000 2.158 169 E HA -0.073 4.277 4.350 0.000 0.000 0.191 169 E C 1.042 177.699 176.600 0.096 0.000 0.982 169 E CA 0.857 57.322 56.400 0.108 0.000 0.823 169 E CB 0.159 29.902 29.700 0.071 0.000 0.766 169 E HN 0.187 nan 8.360 nan 0.000 0.468 170 S N 0.779 116.514 115.700 0.059 0.000 2.767 170 S HA 0.194 4.665 4.470 0.000 0.000 0.253 170 S C 0.264 174.944 174.600 0.133 0.000 1.082 170 S CA -0.380 57.874 58.200 0.090 0.000 1.148 170 S CB -0.328 62.916 63.200 0.074 0.000 0.808 170 S HN -0.001 nan 8.310 nan 0.000 0.466 171 R N 1.562 122.161 120.500 0.165 0.000 2.215 171 R HA 0.472 4.812 4.340 0.000 0.000 0.336 171 R C -0.497 176.060 176.300 0.428 0.000 0.996 171 R CA -0.195 56.106 56.100 0.335 0.000 0.847 171 R CB 0.975 31.439 30.300 0.273 0.000 1.127 171 R HN 0.316 nan 8.270 nan 0.000 0.465 172 K N 3.119 123.717 120.400 0.330 0.000 2.375 172 K HA 0.499 4.819 4.320 0.000 0.000 0.249 172 K C -1.096 175.618 176.600 0.191 0.000 0.942 172 K CA -0.825 55.591 56.287 0.216 0.000 0.806 172 K CB 2.008 34.612 32.500 0.173 0.000 1.227 172 K HN 0.359 nan 8.250 nan 0.000 0.430 173 F N -1.345 118.739 119.950 0.225 0.000 2.596 173 F HA 0.516 5.043 4.527 0.000 0.000 0.311 173 F C -0.993 175.026 175.800 0.366 0.000 1.116 173 F CA -1.323 56.784 58.000 0.178 0.000 0.957 173 F CB 0.636 39.451 39.000 -0.309 0.000 1.250 173 F HN 0.207 nan 8.300 nan 0.000 0.444 174 V N 2.815 123.084 119.914 0.592 0.000 2.644 174 V HA 0.829 4.949 4.120 0.000 0.000 0.295 174 V C -0.406 175.868 176.094 0.299 0.000 1.053 174 V CA 0.511 62.970 62.300 0.264 0.000 0.987 174 V CB 1.712 33.557 31.823 0.036 0.000 1.006 174 V HN 1.215 nan 8.190 nan 0.000 0.472 175 T N 2.876 117.562 114.554 0.220 0.000 2.900 175 T HA 0.824 5.174 4.350 0.000 0.000 0.295 175 T C -0.232 174.590 174.700 0.203 0.000 1.044 175 T CA -0.199 62.086 62.100 0.308 0.000 0.995 175 T CB 1.587 70.812 68.868 0.595 0.000 1.072 175 T HN 1.186 nan 8.240 nan 0.000 0.473 176 G N -0.515 108.336 108.800 0.085 0.000 2.482 176 G HA2 0.765 4.725 3.960 0.000 0.000 0.317 176 G HA3 0.765 4.725 3.960 0.000 0.000 0.317 176 G C -0.487 174.086 174.900 -0.544 0.000 1.241 176 G CA -0.782 44.243 45.100 -0.125 0.000 0.967 176 G HN 1.084 nan 8.290 nan 0.000 0.482 177 G N -1.209 107.067 108.800 -0.872 0.000 2.672 177 G HA2 0.626 4.587 3.960 0.000 0.000 0.292 177 G HA3 0.626 4.587 3.960 0.000 0.000 0.292 177 G C 0.420 174.952 174.900 -0.613 0.000 1.375 177 G CA 0.273 44.731 45.100 -1.069 0.000 0.890 177 G HN 1.225 nan 8.290 nan 0.000 0.476 178 A N -0.154 122.234 122.820 -0.721 0.000 2.255 178 A HA 0.174 4.494 4.320 0.000 0.000 0.206 178 A C 1.404 178.725 177.584 -0.439 0.000 1.193 178 A CA 1.502 52.902 52.037 -1.062 0.000 0.794 178 A CB -0.256 17.525 19.000 -2.031 0.000 0.794 178 A HN 0.613 nan 8.150 nan 0.000 0.481 179 D N -1.814 118.464 120.400 -0.202 0.000 2.340 179 D HA 0.024 4.664 4.640 0.000 0.000 0.217 179 D C 0.052 176.385 176.300 0.055 0.000 1.081 179 D CA 0.185 54.184 54.000 -0.001 0.000 0.842 179 D CB -0.408 40.433 40.800 0.069 0.000 0.934 179 D HN 0.202 nan 8.370 nan 0.000 0.511 180 N N -1.143 117.573 118.700 0.026 0.000 2.979 180 N HA -0.139 4.602 4.740 0.000 0.000 0.234 180 N C -0.763 174.816 175.510 0.115 0.000 0.938 180 N CA 0.488 53.593 53.050 0.092 0.000 0.961 180 N CB -1.673 36.898 38.487 0.140 0.000 1.089 180 N HN 0.350 nan 8.380 nan 0.000 0.576 181 L N -0.108 121.169 121.223 0.089 0.000 2.303 181 L HA 0.773 5.113 4.340 0.000 0.000 0.266 181 L C 0.129 177.055 176.870 0.092 0.000 1.011 181 L CA -1.075 53.826 54.840 0.103 0.000 0.818 181 L CB 2.083 44.195 42.059 0.088 0.000 1.326 181 L HN -0.192 nan 8.230 nan 0.000 0.435 182 V N 1.570 121.463 119.914 -0.035 0.000 2.357 182 V HA 0.344 4.464 4.120 0.000 0.000 0.281 182 V C -0.379 175.509 176.094 -0.342 0.000 1.015 182 V CA -0.838 61.365 62.300 -0.161 0.000 0.827 182 V CB 1.085 32.709 31.823 -0.332 0.000 1.018 182 V HN 0.623 nan 8.190 nan 0.000 0.432 183 K N 4.810 125.047 120.400 -0.273 0.000 2.110 183 K HA 0.773 5.093 4.320 0.000 0.000 0.263 183 K C -0.907 175.286 176.600 -0.678 0.000 0.975 183 K CA -0.593 55.354 56.287 -0.566 0.000 0.895 183 K CB 2.333 34.385 32.500 -0.748 0.000 1.060 183 K HN 0.493 nan 8.250 nan 0.000 0.448 184 I N 1.281 121.352 120.570 -0.831 0.000 2.569 184 I HA 0.440 4.610 4.170 0.000 0.000 0.296 184 I C -0.934 174.735 176.117 -0.745 0.000 1.028 184 I CA -0.938 59.984 61.300 -0.630 0.000 1.082 184 I CB 1.184 38.936 38.000 -0.413 0.000 1.264 184 I HN 0.523 nan 8.210 nan 0.000 0.429 185 W N 3.529 124.647 121.300 -0.303 0.000 2.958 185 W HA 0.754 5.414 4.660 0.000 0.000 0.339 185 W C -0.476 175.955 176.519 -0.148 0.000 1.174 185 W CA -0.832 56.331 57.345 -0.304 0.000 1.064 185 W CB 0.985 30.101 29.460 -0.574 0.000 1.471 185 W HN 0.227 nan 8.180 nan 0.000 0.599 186 K N 0.568 121.120 120.400 0.253 0.000 2.561 186 K HA 0.217 4.537 4.320 0.000 0.000 0.254 186 K C -1.911 174.788 176.600 0.166 0.000 0.942 186 K CA -0.905 55.524 56.287 0.237 0.000 0.818 186 K CB 1.420 34.012 32.500 0.154 0.000 1.306 186 K HN 0.490 nan 8.250 nan 0.000 0.435 187 Y N 3.911 124.176 120.300 -0.058 0.000 2.697 187 Y HA 0.130 4.680 4.550 0.000 0.000 0.349 187 Y C -0.424 175.341 175.900 -0.226 0.000 1.120 187 Y CA 0.332 58.148 58.100 -0.473 0.000 1.468 187 Y CB 0.188 38.333 38.460 -0.526 0.000 1.182 187 Y HN 0.533 nan 8.280 nan 0.000 0.525 188 N N 3.268 121.591 118.700 -0.628 0.000 2.426 188 N HA 0.161 4.902 4.740 0.000 0.000 0.275 188 N C 0.398 175.536 175.510 -0.620 0.000 1.019 188 N CA -0.025 52.764 53.050 -0.436 0.000 0.941 188 N CB 1.631 39.976 38.487 -0.236 0.000 1.123 188 N HN 0.682 nan 8.380 nan 0.000 0.486 189 S N 2.118 117.605 115.700 -0.355 0.000 2.355 189 S HA -0.112 4.358 4.470 0.000 0.000 0.222 189 S C 0.812 175.298 174.600 -0.190 0.000 1.031 189 S CA 0.954 59.007 58.200 -0.244 0.000 0.993 189 S CB -0.108 63.048 63.200 -0.073 0.000 0.859 189 S HN 0.650 nan 8.310 nan 0.000 0.453 190 D N 2.083 122.396 120.400 -0.144 0.000 2.084 190 D HA -0.027 4.613 4.640 0.000 0.000 0.194 190 D C 2.069 178.301 176.300 -0.112 0.000 0.990 190 D CA 1.452 55.392 54.000 -0.100 0.000 0.826 190 D CB -0.551 40.205 40.800 -0.073 0.000 0.971 190 D HN 0.407 nan 8.370 nan 0.000 0.453 191 A N 0.046 122.782 122.820 -0.141 0.000 2.119 191 A HA -0.106 4.214 4.320 0.000 0.000 0.217 191 A C 0.711 178.211 177.584 -0.140 0.000 1.153 191 A CA 0.694 52.659 52.037 -0.120 0.000 0.692 191 A CB -0.112 18.825 19.000 -0.105 0.000 0.799 191 A HN 0.141 nan 8.150 nan 0.000 0.458 192 Q N -1.007 118.663 119.800 -0.216 0.000 2.494 192 Q HA -0.162 4.178 4.340 0.000 0.000 0.272 192 Q C 0.123 176.013 176.000 -0.183 0.000 1.145 192 Q CA 1.483 57.167 55.803 -0.197 0.000 0.943 192 Q CB -2.568 26.118 28.738 -0.086 0.000 1.338 192 Q HN 0.716 nan 8.270 nan 0.000 0.492 193 T N -2.134 112.243 114.554 -0.294 0.000 2.658 193 T HA 0.518 4.868 4.350 0.000 0.000 0.305 193 T C -1.837 172.722 174.700 -0.235 0.000 1.551 193 T CA -0.580 61.434 62.100 -0.143 0.000 0.985 193 T CB 0.702 69.563 68.868 -0.012 0.000 1.731 193 T HN 0.065 nan 8.240 nan 0.000 0.486 194 Y N 1.940 122.231 120.300 -0.015 0.000 2.454 194 Y HA 0.493 5.043 4.550 0.000 0.000 0.345 194 Y C 0.780 176.718 175.900 0.064 0.000 0.970 194 Y CA -0.647 57.471 58.100 0.029 0.000 1.204 194 Y CB 0.623 39.112 38.460 0.049 0.000 1.122 194 Y HN 0.496 nan 8.280 nan 0.000 0.514 195 V N 2.116 122.146 119.914 0.194 0.000 2.904 195 V HA 0.407 4.527 4.120 0.000 0.000 0.305 195 V C -0.084 176.223 176.094 0.355 0.000 1.067 195 V CA -1.195 61.245 62.300 0.232 0.000 1.044 195 V CB 1.346 33.220 31.823 0.085 0.000 1.050 195 V HN 0.578 nan 8.190 nan 0.000 0.475 196 L N 2.355 123.743 121.223 0.275 0.000 2.416 196 L HA 0.400 4.740 4.340 0.000 0.000 0.272 196 L C 1.006 177.806 176.870 -0.116 0.000 1.161 196 L CA 0.915 55.700 54.840 -0.092 0.000 0.845 196 L CB 0.389 42.298 42.059 -0.251 0.000 1.119 196 L HN 0.877 nan 8.230 nan 0.000 0.464 197 E N 1.671 121.748 120.200 -0.206 0.000 2.441 197 E HA 0.270 4.620 4.350 0.000 0.000 0.212 197 E C -0.444 176.091 176.600 -0.109 0.000 0.840 197 E CA 0.206 56.552 56.400 -0.089 0.000 1.143 197 E CB 0.788 30.491 29.700 0.005 0.000 1.153 197 E HN 0.625 nan 8.360 nan 0.000 0.539 198 S N -0.069 115.482 115.700 -0.249 0.000 2.543 198 S HA 0.404 4.874 4.470 0.000 0.000 0.273 198 S C -0.755 173.616 174.600 -0.381 0.000 1.152 198 S CA -0.605 57.456 58.200 -0.232 0.000 0.910 198 S CB 2.340 65.448 63.200 -0.153 0.000 1.105 198 S HN -0.137 nan 8.310 nan 0.000 0.465 199 T N 2.966 117.348 114.554 -0.287 0.000 2.855 199 T HA 0.667 5.017 4.350 0.000 0.000 0.281 199 T C -0.873 173.672 174.700 -0.259 0.000 1.007 199 T CA -0.552 61.369 62.100 -0.298 0.000 1.009 199 T CB 0.600 69.342 68.868 -0.210 0.000 0.983 199 T HN 0.435 nan 8.240 nan 0.000 0.455 200 L N 2.730 123.764 121.223 -0.315 0.000 2.454 200 L HA 0.400 4.740 4.340 0.000 0.000 0.258 200 L C 0.236 177.093 176.870 -0.023 0.000 1.025 200 L CA -0.442 54.225 54.840 -0.289 0.000 0.901 200 L CB 1.363 42.807 42.059 -1.024 0.000 1.210 200 L HN 0.639 nan 8.230 nan 0.000 0.457 201 E N 1.828 122.079 120.200 0.085 0.000 1.892 201 E HA 0.233 4.583 4.350 0.000 0.000 0.271 201 E C 0.936 177.642 176.600 0.177 0.000 1.146 201 E CA -0.094 56.379 56.400 0.121 0.000 1.096 201 E CB 0.498 30.239 29.700 0.069 0.000 1.155 201 E HN 0.753 nan 8.360 nan 0.000 0.458 202 G N 2.692 111.652 108.800 0.267 0.000 3.274 202 G HA2 0.041 4.002 3.960 0.000 0.000 0.250 202 G HA3 0.041 4.002 3.960 0.000 0.000 0.250 202 G C 0.179 175.002 174.900 -0.129 0.000 1.024 202 G CA -0.206 44.947 45.100 0.088 0.000 0.840 202 G HN 0.394 nan 8.290 nan 0.000 0.522 203 H N 0.067 119.222 119.070 0.143 0.000 2.676 203 H HA 0.474 5.030 4.556 0.000 0.000 0.352 203 H C 0.038 175.411 175.328 0.075 0.000 1.193 203 H CA 0.162 56.266 56.048 0.095 0.000 1.243 203 H CB 2.153 31.981 29.762 0.109 0.000 1.751 203 H HN 0.120 nan 8.280 nan 0.000 0.567 204 S N -0.121 115.709 115.700 0.217 0.000 2.843 204 S HA 0.237 4.707 4.470 0.000 0.000 0.249 204 S C -0.234 174.448 174.600 0.136 0.000 1.047 204 S CA -0.443 57.840 58.200 0.138 0.000 1.042 204 S CB 0.426 63.678 63.200 0.086 0.000 0.936 204 S HN 0.618 nan 8.310 nan 0.000 0.531 205 D N -0.585 119.917 120.400 0.170 0.000 3.213 205 D HA 0.283 4.923 4.640 0.000 0.000 0.357 205 D C -1.746 174.709 176.300 0.258 0.000 1.446 205 D CA -0.579 53.535 54.000 0.191 0.000 0.893 205 D CB -0.259 40.608 40.800 0.112 0.000 1.466 205 D HN 0.100 nan 8.370 nan 0.000 0.541 206 W N 1.245 122.527 121.300 -0.030 0.000 2.397 206 W HA 0.321 4.981 4.660 0.000 0.000 0.327 206 W C 0.076 176.526 176.519 -0.114 0.000 1.421 206 W CA -0.483 56.830 57.345 -0.054 0.000 1.288 206 W CB -0.114 29.334 29.460 -0.019 0.000 1.312 206 W HN 0.002 nan 8.180 nan 0.000 0.559 207 V N 7.245 127.135 119.914 -0.040 0.000 2.415 207 V HA 0.060 4.180 4.120 0.000 0.000 0.267 207 V C 1.435 177.492 176.094 -0.063 0.000 1.042 207 V CA -0.420 61.788 62.300 -0.153 0.000 1.000 207 V CB 0.820 32.520 31.823 -0.205 0.000 1.015 207 V HN 0.455 nan 8.190 nan 0.000 0.478 208 R N 2.145 122.645 120.500 -0.001 0.000 2.093 208 R HA 0.150 4.490 4.340 0.000 0.000 0.224 208 R C 0.294 176.642 176.300 0.079 0.000 1.101 208 R CA 0.693 56.858 56.100 0.107 0.000 0.979 208 R CB -0.005 30.422 30.300 0.212 0.000 0.877 208 R HN 0.806 nan 8.270 nan 0.000 0.441 209 D N -1.257 119.166 120.400 0.038 0.000 2.663 209 D HA 0.221 4.861 4.640 0.000 0.000 0.233 209 D C -1.616 174.716 176.300 0.053 0.000 1.240 209 D CA -0.450 53.587 54.000 0.062 0.000 0.774 209 D CB 2.190 43.051 40.800 0.101 0.000 1.443 209 D HN -0.160 nan 8.370 nan 0.000 0.441 210 V N -0.398 119.570 119.914 0.091 0.000 2.668 210 V HA 1.004 5.125 4.120 0.000 0.000 0.304 210 V C -0.993 175.227 176.094 0.210 0.000 1.071 210 V CA -0.742 61.633 62.300 0.124 0.000 0.894 210 V CB 1.139 33.006 31.823 0.074 0.000 1.008 210 V HN 0.780 nan 8.190 nan 0.000 0.425 211 A N 5.147 128.147 122.820 0.300 0.000 2.371 211 A HA 0.800 5.120 4.320 0.000 0.000 0.311 211 A C -0.930 177.045 177.584 0.651 0.000 1.068 211 A CA -0.587 51.732 52.037 0.471 0.000 0.744 211 A CB 1.631 20.912 19.000 0.469 0.000 1.239 211 A HN 1.098 nan 8.150 nan 0.000 0.435 212 W N 1.721 123.262 121.300 0.401 0.000 2.283 212 W HA 0.476 5.136 4.660 0.000 0.000 0.341 212 W C 0.195 176.759 176.519 0.076 0.000 1.206 212 W CA -0.256 57.250 57.345 0.269 0.000 1.294 212 W CB 1.832 31.431 29.460 0.232 0.000 1.154 212 W HN 0.604 nan 8.180 nan 0.000 0.613 213 S N 5.326 121.177 115.700 0.252 0.000 2.411 213 S HA 0.211 4.681 4.470 0.000 0.000 0.294 213 S C -1.055 173.592 174.600 0.078 0.000 1.115 213 S CA -1.476 56.528 58.200 -0.327 0.000 1.071 213 S CB 0.871 63.740 63.200 -0.551 0.000 0.967 213 S HN 0.258 nan 8.310 nan 0.000 0.488 214 P HA -0.040 nan 4.420 nan 0.000 0.231 214 P C 0.808 178.119 177.300 0.017 0.000 1.158 214 P CA 0.380 63.526 63.100 0.076 0.000 0.763 214 P CB -0.311 31.451 31.700 0.102 0.000 0.805 215 T N -0.242 114.293 114.554 -0.032 0.000 2.724 215 T HA 0.107 4.458 4.350 0.000 0.000 0.324 215 T C 1.232 175.921 174.700 -0.018 0.000 1.071 215 T CA 0.009 62.065 62.100 -0.073 0.000 1.061 215 T CB 0.443 69.237 68.868 -0.124 0.000 0.990 215 T HN -0.222 nan 8.240 nan 0.000 0.543 216 V N 2.363 122.233 119.914 -0.073 0.000 3.502 216 V HA 0.299 4.419 4.120 0.000 0.000 0.288 216 V C 0.801 176.907 176.094 0.019 0.000 1.461 216 V CA -0.402 61.887 62.300 -0.018 0.000 1.029 216 V CB -0.114 31.688 31.823 -0.034 0.000 0.843 216 V HN 0.646 nan 8.190 nan 0.000 0.438 217 L N 0.562 121.784 121.223 -0.002 0.000 2.483 217 L HA 0.092 4.432 4.340 0.000 0.000 0.277 217 L C 1.593 178.532 176.870 0.116 0.000 1.248 217 L CA 0.823 55.731 54.840 0.113 0.000 0.825 217 L CB 0.113 42.269 42.059 0.161 0.000 1.096 217 L HN 0.079 nan 8.230 nan 0.000 0.512 218 L N 1.002 122.296 121.223 0.117 0.000 2.129 218 L HA -0.139 4.201 4.340 0.000 0.000 0.212 218 L C 1.083 177.963 176.870 0.017 0.000 1.087 218 L CA 1.117 55.995 54.840 0.064 0.000 0.757 218 L CB -0.463 41.629 42.059 0.056 0.000 0.896 218 L HN 0.577 nan 8.230 nan 0.000 0.434 219 R N -0.232 120.271 120.500 0.005 0.000 2.357 219 R HA 0.263 4.603 4.340 0.000 0.000 0.296 219 R C 0.007 176.190 176.300 -0.195 0.000 1.052 219 R CA -0.338 55.668 56.100 -0.158 0.000 0.988 219 R CB 1.327 31.464 30.300 -0.271 0.000 1.025 219 R HN 0.006 nan 8.270 nan 0.000 0.469 220 S N 1.827 117.395 115.700 -0.220 0.000 2.610 220 S HA 0.359 4.829 4.470 0.000 0.000 0.273 220 S C -0.889 173.560 174.600 -0.251 0.000 1.274 220 S CA -0.336 57.854 58.200 -0.017 0.000 1.023 220 S CB 0.527 63.850 63.200 0.205 0.000 0.962 220 S HN 0.343 nan 8.310 nan 0.000 0.523 221 Y N 0.566 120.909 120.300 0.070 0.000 2.442 221 Y HA 0.612 5.162 4.550 0.000 0.000 0.344 221 Y C -0.307 175.538 175.900 -0.092 0.000 0.976 221 Y CA -0.782 57.321 58.100 0.005 0.000 1.040 221 Y CB 1.235 39.546 38.460 -0.247 0.000 1.228 221 Y HN 0.377 nan 8.280 nan 0.000 0.451 222 L N 2.619 124.031 121.223 0.316 0.000 2.401 222 L HA 0.899 5.239 4.340 0.000 0.000 0.266 222 L C -0.864 176.377 176.870 0.618 0.000 0.991 222 L CA -1.126 53.873 54.840 0.264 0.000 0.818 222 L CB 2.253 44.197 42.059 -0.192 0.000 1.321 222 L HN 0.750 nan 8.230 nan 0.000 0.413 223 A N 1.595 124.765 122.820 0.582 0.000 2.311 223 A HA 0.686 5.006 4.320 0.000 0.000 0.306 223 A C -0.430 177.298 177.584 0.240 0.000 1.189 223 A CA -0.480 51.763 52.037 0.343 0.000 0.791 223 A CB 1.170 20.191 19.000 0.035 0.000 1.172 223 A HN 0.592 nan 8.150 nan 0.000 0.481 224 S N 1.840 117.723 115.700 0.305 0.000 2.474 224 S HA 0.625 5.095 4.470 0.000 0.000 0.321 224 S C -0.424 174.257 174.600 0.134 0.000 1.080 224 S CA -0.609 57.755 58.200 0.272 0.000 1.106 224 S CB 1.161 64.697 63.200 0.559 0.000 0.984 224 S HN 0.572 nan 8.310 nan 0.000 0.464 225 V N 3.081 122.980 119.914 -0.025 0.000 2.509 225 V HA 0.631 4.751 4.120 0.000 0.000 0.284 225 V C 0.523 176.495 176.094 -0.203 0.000 1.047 225 V CA -0.223 62.010 62.300 -0.112 0.000 0.952 225 V CB 1.677 33.421 31.823 -0.131 0.000 0.988 225 V HN 1.020 nan 8.190 nan 0.000 0.469 226 S N 2.244 117.827 115.700 -0.195 0.000 2.726 226 S HA 0.405 4.875 4.470 0.000 0.000 0.308 226 S C 0.488 175.006 174.600 -0.137 0.000 1.115 226 S CA -0.367 57.706 58.200 -0.212 0.000 0.965 226 S CB 2.001 65.150 63.200 -0.084 0.000 1.145 226 S HN 0.781 nan 8.310 nan 0.000 0.532 227 Q N 0.514 120.277 119.800 -0.061 0.000 2.339 227 Q HA 0.052 4.392 4.340 0.000 0.000 0.205 227 Q C 0.760 176.709 176.000 -0.086 0.000 0.925 227 Q CA 1.591 57.343 55.803 -0.086 0.000 0.898 227 Q CB -0.138 28.603 28.738 0.004 0.000 1.013 227 Q HN 0.798 nan 8.270 nan 0.000 0.504 228 D N -0.621 119.769 120.400 -0.018 0.000 2.390 228 D HA -0.114 4.526 4.640 0.000 0.000 0.235 228 D C -0.013 176.284 176.300 -0.004 0.000 1.040 228 D CA 0.296 54.297 54.000 0.000 0.000 0.923 228 D CB -0.071 40.759 40.800 0.051 0.000 0.886 228 D HN 0.315 nan 8.370 nan 0.000 0.532 229 R N -1.946 118.526 120.500 -0.047 0.000 3.728 229 R HA -0.147 4.193 4.340 0.000 0.000 0.478 229 R C 0.100 176.448 176.300 0.080 0.000 0.932 229 R CA 1.232 57.312 56.100 -0.033 0.000 1.317 229 R CB -2.921 27.383 30.300 0.006 0.000 1.987 229 R HN 0.557 nan 8.270 nan 0.000 0.509 230 T N -2.677 111.928 114.554 0.085 0.000 2.847 230 T HA 0.570 4.920 4.350 0.000 0.000 0.279 230 T C 0.243 175.011 174.700 0.113 0.000 0.984 230 T CA -0.322 61.853 62.100 0.125 0.000 0.988 230 T CB 2.410 71.328 68.868 0.083 0.000 1.040 230 T HN 0.303 nan 8.240 nan 0.000 0.528 231 C N 2.628 121.967 119.300 0.065 0.000 2.599 231 C HA 0.622 5.082 4.460 0.000 0.000 0.354 231 C C -1.113 173.787 174.990 -0.151 0.000 1.092 231 C CA -0.920 58.085 59.018 -0.021 0.000 1.280 231 C CB -0.666 26.983 27.740 -0.151 0.000 1.829 231 C HN 0.846 nan 8.230 nan 0.000 0.454 232 I N 6.767 127.250 120.570 -0.144 0.000 2.437 232 I HA 0.537 4.707 4.170 0.000 0.000 0.298 232 I C -0.171 175.704 176.117 -0.404 0.000 0.984 232 I CA -0.489 60.548 61.300 -0.438 0.000 1.214 232 I CB 1.646 39.151 38.000 -0.825 0.000 1.365 232 I HN 0.455 nan 8.210 nan 0.000 0.469 233 I N 5.070 125.365 120.570 -0.458 0.000 2.389 233 I HA 0.274 4.444 4.170 0.000 0.000 0.288 233 I C -1.003 175.048 176.117 -0.110 0.000 0.999 233 I CA -0.719 60.497 61.300 -0.139 0.000 1.129 233 I CB 1.236 39.175 38.000 -0.102 0.000 1.288 233 I HN 0.465 nan 8.210 nan 0.000 0.444 234 W N 5.064 126.480 121.300 0.193 0.000 2.478 234 W HA 0.637 5.297 4.660 0.000 0.000 0.318 234 W C 0.492 177.198 176.519 0.313 0.000 1.062 234 W CA -0.771 56.718 57.345 0.240 0.000 1.210 234 W CB 1.184 30.750 29.460 0.176 0.000 1.325 234 W HN 0.516 nan 8.180 nan 0.000 0.496 235 T N -0.092 114.690 114.554 0.381 0.000 2.908 235 T HA 0.713 5.063 4.350 0.000 0.000 0.290 235 T C -0.973 173.633 174.700 -0.157 0.000 1.034 235 T CA -0.941 61.166 62.100 0.012 0.000 1.010 235 T CB 2.414 71.226 68.868 -0.094 0.000 1.068 235 T HN 0.541 nan 8.240 nan 0.000 0.481 236 Q N 0.961 120.511 119.800 -0.416 0.000 2.281 236 Q HA 0.288 4.628 4.340 0.000 0.000 0.263 236 Q C -1.117 174.670 176.000 -0.355 0.000 0.989 236 Q CA -0.562 54.919 55.803 -0.535 0.000 0.852 236 Q CB 2.135 30.170 28.738 -1.171 0.000 1.337 236 Q HN 0.755 nan 8.270 nan 0.000 0.418 237 D N 1.308 121.566 120.400 -0.237 0.000 2.429 237 D HA 0.031 4.671 4.640 0.000 0.000 0.242 237 D C -0.063 176.160 176.300 -0.128 0.000 1.076 237 D CA 0.673 54.587 54.000 -0.143 0.000 0.955 237 D CB 0.101 40.850 40.800 -0.086 0.000 1.076 237 D HN 0.464 nan 8.370 nan 0.000 0.448 238 N N 1.353 119.981 118.700 -0.120 0.000 2.307 238 N HA -0.035 4.706 4.740 0.000 0.000 0.230 238 N C 0.732 176.174 175.510 -0.115 0.000 1.297 238 N CA 0.274 53.268 53.050 -0.092 0.000 0.884 238 N CB 0.346 38.786 38.487 -0.077 0.000 1.115 238 N HN 0.230 nan 8.380 nan 0.000 0.436 239 E N -0.288 119.874 120.200 -0.063 0.000 2.385 239 E HA -0.020 4.331 4.350 0.000 0.000 0.194 239 E C 0.178 176.758 176.600 -0.032 0.000 1.013 239 E CA 0.557 56.934 56.400 -0.038 0.000 0.866 239 E CB 0.245 29.947 29.700 0.005 0.000 0.832 239 E HN 0.431 nan 8.360 nan 0.000 0.500 240 Q N -0.123 119.650 119.800 -0.044 0.000 2.118 240 Q HA 0.212 4.552 4.340 0.000 0.000 0.219 240 Q C 0.550 176.519 176.000 -0.051 0.000 0.794 240 Q CA -0.031 55.757 55.803 -0.025 0.000 1.035 240 Q CB 1.245 29.982 28.738 -0.003 0.000 1.177 240 Q HN 0.081 nan 8.270 nan 0.000 0.478 241 G N 2.843 111.577 108.800 -0.109 0.000 2.621 241 G HA2 0.383 4.343 3.960 0.000 0.000 0.271 241 G HA3 0.383 4.343 3.960 0.000 0.000 0.271 241 G C -2.280 172.538 174.900 -0.136 0.000 1.236 241 G CA -0.783 44.250 45.100 -0.113 0.000 0.958 241 G HN -0.035 nan 8.290 nan 0.000 0.512 242 P HA 0.092 nan 4.420 nan 0.000 0.281 242 P C -1.066 176.223 177.300 -0.018 0.000 1.252 242 P CA -0.465 62.633 63.100 -0.002 0.000 0.778 242 P CB 0.818 32.535 31.700 0.029 0.000 0.895 243 W N 3.712 125.035 121.300 0.039 0.000 2.605 243 W HA 0.191 4.851 4.660 0.000 0.000 0.327 243 W C 1.238 177.857 176.519 0.167 0.000 1.332 243 W CA -0.003 57.392 57.345 0.084 0.000 1.403 243 W CB 0.286 29.773 29.460 0.046 0.000 1.452 243 W HN 0.279 nan 8.180 nan 0.000 0.503 244 K N 4.787 125.359 120.400 0.288 0.000 2.383 244 K HA 0.032 4.352 4.320 0.000 0.000 0.286 244 K C 0.428 177.169 176.600 0.235 0.000 1.051 244 K CA -0.304 56.108 56.287 0.208 0.000 0.974 244 K CB 0.411 32.973 32.500 0.102 0.000 0.968 244 K HN 0.305 nan 8.250 nan 0.000 0.475 245 K N 2.866 123.331 120.400 0.108 0.000 2.144 245 K HA 0.206 4.526 4.320 0.000 0.000 0.270 245 K C -1.264 175.205 176.600 -0.219 0.000 1.005 245 K CA -0.195 55.951 56.287 -0.234 0.000 0.932 245 K CB 1.242 33.547 32.500 -0.325 0.000 1.021 245 K HN 0.534 nan 8.250 nan 0.000 0.462 246 T N 4.054 118.400 114.554 -0.347 0.000 3.798 246 T HA 0.189 4.539 4.350 0.000 0.000 0.339 246 T C -0.522 174.032 174.700 -0.244 0.000 0.967 246 T CA -0.670 61.324 62.100 -0.177 0.000 1.046 246 T CB 0.574 69.453 68.868 0.018 0.000 1.092 246 T HN 0.555 nan 8.240 nan 0.000 0.465 247 L N 3.378 124.471 121.223 -0.218 0.000 2.514 247 L HA 0.100 4.440 4.340 0.000 0.000 0.280 247 L C 1.526 178.277 176.870 -0.198 0.000 1.223 247 L CA -0.197 54.509 54.840 -0.223 0.000 0.864 247 L CB 0.494 42.451 42.059 -0.170 0.000 1.118 247 L HN 0.613 nan 8.230 nan 0.000 0.494 248 L N 3.622 124.670 121.223 -0.291 0.000 2.017 248 L HA -0.101 4.239 4.340 0.000 0.000 0.208 248 L C 0.739 177.430 176.870 -0.299 0.000 1.073 248 L CA 1.754 56.348 54.840 -0.411 0.000 0.745 248 L CB -0.185 41.493 42.059 -0.635 0.000 0.894 248 L HN 0.673 nan 8.230 nan 0.000 0.432 249 K N -2.235 117.994 120.400 -0.285 0.000 2.498 249 K HA 0.284 4.604 4.320 0.000 0.000 0.254 249 K C 0.226 176.733 176.600 -0.155 0.000 0.933 249 K CA -0.549 55.625 56.287 -0.189 0.000 0.806 249 K CB 1.229 33.591 32.500 -0.230 0.000 1.301 249 K HN -0.097 nan 8.250 nan 0.000 0.432 250 E N 0.731 120.876 120.200 -0.092 0.000 2.333 250 E HA -0.133 4.217 4.350 0.000 0.000 0.198 250 E C -0.534 176.015 176.600 -0.086 0.000 1.007 250 E CA 1.180 57.534 56.400 -0.076 0.000 0.845 250 E CB 0.134 29.808 29.700 -0.044 0.000 0.766 250 E HN 0.465 nan 8.360 nan 0.000 0.507 251 E N 0.577 120.710 120.200 -0.111 0.000 2.202 251 E HA 0.207 4.557 4.350 0.000 0.000 0.272 251 E C -0.780 175.722 176.600 -0.164 0.000 0.951 251 E CA -0.463 55.869 56.400 -0.112 0.000 0.813 251 E CB 1.249 30.891 29.700 -0.097 0.000 1.151 251 E HN -0.067 nan 8.360 nan 0.000 0.398 252 K N 1.913 122.251 120.400 -0.103 0.000 2.270 252 K HA 0.220 4.540 4.320 0.000 0.000 0.276 252 K C -0.214 176.346 176.600 -0.068 0.000 1.023 252 K CA -0.351 55.901 56.287 -0.060 0.000 0.955 252 K CB 0.435 32.932 32.500 -0.005 0.000 0.975 252 K HN 0.328 nan 8.250 nan 0.000 0.471 253 F N 3.198 123.110 119.950 -0.064 0.000 2.646 253 F HA -0.089 4.438 4.527 0.000 0.000 0.321 253 F C -0.563 175.206 175.800 -0.052 0.000 1.241 253 F CA -0.842 57.127 58.000 -0.051 0.000 1.365 253 F CB -0.185 38.767 39.000 -0.079 0.000 1.143 253 F HN 0.553 nan 8.300 nan 0.000 0.601 254 P HA -0.128 nan 4.420 nan 0.000 0.210 254 P C 0.173 177.492 177.300 0.032 0.000 1.191 254 P CA 1.420 64.565 63.100 0.075 0.000 0.917 254 P CB 0.224 31.970 31.700 0.078 0.000 0.778 255 D N -1.347 119.055 120.400 0.002 0.000 2.627 255 D HA 0.255 4.895 4.640 0.000 0.000 0.259 255 D C -0.558 175.619 176.300 -0.204 0.000 1.164 255 D CA -0.786 53.165 54.000 -0.082 0.000 1.087 255 D CB 1.767 42.522 40.800 -0.074 0.000 1.217 255 D HN -0.310 nan 8.370 nan 0.000 0.630 256 V N 1.975 121.676 119.914 -0.355 0.000 2.488 256 V HA 0.231 4.351 4.120 0.000 0.000 0.277 256 V C 0.372 175.794 176.094 -1.121 0.000 1.046 256 V CA -0.357 61.556 62.300 -0.646 0.000 0.986 256 V CB 0.727 32.113 31.823 -0.728 0.000 0.989 256 V HN 0.259 nan 8.190 nan 0.000 0.475 257 L N 3.783 124.467 121.223 -0.898 0.000 2.399 257 L HA 0.354 4.694 4.340 0.000 0.000 0.266 257 L C 0.399 176.765 176.870 -0.840 0.000 1.114 257 L CA 0.054 54.368 54.840 -0.876 0.000 0.804 257 L CB 0.900 42.583 42.059 -0.627 0.000 1.146 257 L HN 0.723 nan 8.230 nan 0.000 0.451 258 W N -0.379 120.870 121.300 -0.086 0.000 3.705 258 W HA 0.265 4.925 4.660 0.000 0.000 0.224 258 W C 0.725 177.241 176.519 -0.005 0.000 0.882 258 W CA -0.545 56.810 57.345 0.016 0.000 2.321 258 W CB 0.114 29.646 29.460 0.120 0.000 1.107 258 W HN 0.203 nan 8.180 nan 0.000 0.692 259 R N 1.170 121.790 120.500 0.201 0.000 2.596 259 R HA 0.722 5.062 4.340 0.000 0.000 0.267 259 R C -0.737 175.563 176.300 0.000 0.000 1.026 259 R CA -0.627 55.538 56.100 0.108 0.000 1.087 259 R CB 0.972 31.337 30.300 0.108 0.000 1.132 259 R HN 0.072 nan 8.270 nan 0.000 0.531 260 A N 0.595 123.416 122.820 0.002 0.000 2.547 260 A HA 0.392 4.712 4.320 0.000 0.000 0.279 260 A C -0.904 176.643 177.584 -0.062 0.000 1.088 260 A CA -0.400 51.580 52.037 -0.094 0.000 0.796 260 A CB 1.291 20.215 19.000 -0.126 0.000 1.308 260 A HN 0.478 nan 8.150 nan 0.000 0.415 261 S N 1.620 117.288 115.700 -0.054 0.000 2.500 261 S HA 0.762 5.232 4.470 0.000 0.000 0.301 261 S C -1.128 173.607 174.600 0.226 0.000 1.092 261 S CA -0.338 57.946 58.200 0.139 0.000 1.030 261 S CB 0.541 63.881 63.200 0.233 0.000 1.031 261 S HN 0.555 nan 8.310 nan 0.000 0.483 262 W N 2.528 124.059 121.300 0.384 0.000 2.448 262 W HA 0.507 5.167 4.660 0.000 0.000 0.339 262 W C 0.658 177.096 176.519 -0.135 0.000 1.124 262 W CA -0.659 56.805 57.345 0.199 0.000 1.262 262 W CB 1.016 30.568 29.460 0.153 0.000 1.251 262 W HN 0.701 nan 8.180 nan 0.000 0.597 263 S N 1.977 117.338 115.700 -0.565 0.000 2.565 263 S HA 0.244 4.714 4.470 0.000 0.000 0.274 263 S C 0.699 175.186 174.600 -0.188 0.000 1.309 263 S CA -0.694 56.906 58.200 -1.001 0.000 1.043 263 S CB 0.739 63.253 63.200 -1.145 0.000 0.939 263 S HN 0.577 nan 8.310 nan 0.000 0.504 264 L N 1.724 122.906 121.223 -0.067 0.000 2.265 264 L HA 0.005 4.345 4.340 0.000 0.000 0.215 264 L C 1.031 177.900 176.870 -0.000 0.000 1.117 264 L CA 0.749 55.600 54.840 0.019 0.000 0.782 264 L CB -0.982 41.097 42.059 0.033 0.000 0.914 264 L HN 0.897 nan 8.230 nan 0.000 0.441 265 S N -1.897 113.810 115.700 0.011 0.000 2.547 265 S HA 0.666 5.136 4.470 0.000 0.000 0.281 265 S C 0.331 174.961 174.600 0.051 0.000 1.118 265 S CA -0.089 58.109 58.200 -0.004 0.000 0.947 265 S CB 2.256 65.444 63.200 -0.020 0.000 1.053 265 S HN 0.320 nan 8.310 nan 0.000 0.482 266 G N 2.114 110.904 108.800 -0.017 0.000 2.194 266 G HA2 -0.278 3.683 3.960 0.000 0.000 0.236 266 G HA3 -0.278 3.683 3.960 0.000 0.000 0.236 266 G C 0.348 175.285 174.900 0.061 0.000 0.987 266 G CA 0.162 45.296 45.100 0.057 0.000 0.635 266 G HN 1.750 nan 8.290 nan 0.000 0.520 267 N N -1.263 117.455 118.700 0.030 0.000 2.735 267 N HA -0.165 4.575 4.740 0.000 0.000 0.248 267 N C 0.312 176.051 175.510 0.383 0.000 1.083 267 N CA 1.099 54.202 53.050 0.088 0.000 0.703 267 N CB -1.363 37.038 38.487 -0.144 0.000 1.005 267 N HN 1.199 nan 8.380 nan 0.000 0.550 268 V N 0.426 120.522 119.914 0.303 0.000 2.775 268 V HA 0.342 4.462 4.120 0.000 0.000 0.299 268 V C 0.746 177.077 176.094 0.395 0.000 1.062 268 V CA -0.436 62.064 62.300 0.333 0.000 1.063 268 V CB 1.473 33.379 31.823 0.139 0.000 0.994 268 V HN 0.280 nan 8.190 nan 0.000 0.483 269 L N 4.395 125.813 121.223 0.325 0.000 2.366 269 L HA 0.750 5.090 4.340 0.000 0.000 0.266 269 L C 0.268 177.241 176.870 0.171 0.000 1.010 269 L CA -0.351 54.458 54.840 -0.051 0.000 0.879 269 L CB 0.545 42.288 42.059 -0.526 0.000 1.228 269 L HN 0.752 nan 8.230 nan 0.000 0.439 270 A N 4.339 127.329 122.820 0.284 0.000 2.401 270 A HA 0.598 4.918 4.320 0.000 0.000 0.259 270 A C -0.891 176.695 177.584 0.004 0.000 1.103 270 A CA -0.183 51.912 52.037 0.097 0.000 0.789 270 A CB 0.415 19.293 19.000 -0.202 0.000 1.035 270 A HN 0.678 nan 8.150 nan 0.000 0.491 271 L N 1.868 123.112 121.223 0.035 0.000 2.409 271 L HA 0.489 4.830 4.340 0.000 0.000 0.272 271 L C -0.364 176.464 176.870 -0.069 0.000 0.980 271 L CA 0.258 55.076 54.840 -0.037 0.000 0.826 271 L CB 2.302 44.363 42.059 0.003 0.000 1.268 271 L HN 0.558 nan 8.230 nan 0.000 0.407 272 S N 2.882 118.517 115.700 -0.108 0.000 2.420 272 S HA 0.759 5.229 4.470 0.000 0.000 0.313 272 S C 0.299 174.807 174.600 -0.153 0.000 1.079 272 S CA -0.457 57.687 58.200 -0.093 0.000 1.104 272 S CB 1.068 64.244 63.200 -0.040 0.000 0.969 272 S HN 0.838 nan 8.310 nan 0.000 0.471 273 G N 1.492 110.188 108.800 -0.174 0.000 2.535 273 G HA2 0.522 4.482 3.960 0.000 0.000 0.303 273 G HA3 0.522 4.482 3.960 0.000 0.000 0.303 273 G C 0.851 175.642 174.900 -0.181 0.000 1.237 273 G CA -0.546 44.385 45.100 -0.282 0.000 0.986 273 G HN 0.703 nan 8.290 nan 0.000 0.494 274 G N -0.805 107.844 108.800 -0.251 0.000 2.777 274 G HA2 -0.003 3.957 3.960 0.000 0.000 0.211 274 G HA3 -0.003 3.957 3.960 0.000 0.000 0.211 274 G C 0.913 175.833 174.900 0.033 0.000 1.149 274 G CA 0.891 45.978 45.100 -0.021 0.000 0.785 274 G HN 0.666 nan 8.290 nan 0.000 0.536 275 D N 0.493 120.888 120.400 -0.008 0.000 2.346 275 D HA -0.031 4.609 4.640 0.000 0.000 0.248 275 D C 1.045 177.351 176.300 0.010 0.000 1.173 275 D CA -0.000 54.006 54.000 0.011 0.000 0.878 275 D CB -0.395 40.419 40.800 0.022 0.000 0.919 275 D HN 0.137 nan 8.370 nan 0.000 0.513 276 N N -0.079 118.630 118.700 0.014 0.000 2.857 276 N HA -0.215 4.525 4.740 0.000 0.000 0.242 276 N C -0.826 174.653 175.510 -0.052 0.000 0.983 276 N CA 1.181 54.220 53.050 -0.018 0.000 0.934 276 N CB -0.907 37.566 38.487 -0.022 0.000 1.115 276 N HN 0.447 nan 8.380 nan 0.000 0.593 277 K N -0.217 120.168 120.400 -0.026 0.000 2.123 277 K HA 0.590 4.911 4.320 0.000 0.000 0.259 277 K C -0.425 176.157 176.600 -0.029 0.000 0.960 277 K CA -0.825 55.452 56.287 -0.017 0.000 0.872 277 K CB 2.110 34.620 32.500 0.017 0.000 1.079 277 K HN -0.073 nan 8.250 nan 0.000 0.440 278 V N 1.455 121.353 119.914 -0.026 0.000 2.472 278 V HA 0.362 4.482 4.120 0.000 0.000 0.290 278 V C -0.081 176.012 176.094 -0.002 0.000 1.037 278 V CA -0.809 61.470 62.300 -0.034 0.000 0.908 278 V CB 1.268 33.051 31.823 -0.066 0.000 0.985 278 V HN 0.952 nan 8.190 nan 0.000 0.454 279 T N 2.847 117.424 114.554 0.039 0.000 2.847 279 T HA 0.708 5.058 4.350 0.000 0.000 0.291 279 T C -0.622 174.046 174.700 -0.054 0.000 0.998 279 T CA -0.595 61.510 62.100 0.008 0.000 0.967 279 T CB 0.852 69.847 68.868 0.212 0.000 0.954 279 T HN 0.356 nan 8.240 nan 0.000 0.441 280 L N 2.745 123.826 121.223 -0.237 0.000 2.439 280 L HA 0.650 4.991 4.340 0.000 0.000 0.261 280 L C -0.666 175.946 176.870 -0.430 0.000 1.153 280 L CA -0.740 54.018 54.840 -0.135 0.000 0.808 280 L CB 0.709 42.733 42.059 -0.058 0.000 1.126 280 L HN 0.693 nan 8.230 nan 0.000 0.460 281 W N 1.310 122.702 121.300 0.154 0.000 3.274 281 W HA 0.511 5.171 4.660 0.000 0.000 0.327 281 W C -0.698 176.073 176.519 0.420 0.000 1.172 281 W CA -0.738 56.757 57.345 0.249 0.000 1.217 281 W CB 1.440 31.007 29.460 0.177 0.000 1.376 281 W HN 0.292 nan 8.180 nan 0.000 0.507 282 K N 0.785 121.584 120.400 0.665 0.000 2.433 282 K HA 0.731 5.052 4.320 0.000 0.000 0.252 282 K C -1.010 175.739 176.600 0.248 0.000 1.015 282 K CA -0.896 55.690 56.287 0.497 0.000 0.860 282 K CB 3.011 35.670 32.500 0.266 0.000 1.359 282 K HN 0.470 nan 8.250 nan 0.000 0.452 283 E N 0.726 120.745 120.200 -0.301 0.000 2.232 283 E HA 0.268 4.618 4.350 0.000 0.000 0.265 283 E C -0.813 175.622 176.600 -0.275 0.000 1.001 283 E CA -0.832 55.120 56.400 -0.747 0.000 0.870 283 E CB 1.222 30.175 29.700 -1.245 0.000 1.175 283 E HN 0.569 nan 8.360 nan 0.000 0.407 284 N N 0.987 119.545 118.700 -0.237 0.000 2.890 284 N HA 0.261 5.001 4.740 0.000 0.000 0.317 284 N C 0.768 176.247 175.510 -0.053 0.000 1.355 284 N CA -0.478 52.523 53.050 -0.081 0.000 0.803 284 N CB 0.581 39.049 38.487 -0.032 0.000 1.465 284 N HN 0.419 nan 8.380 nan 0.000 0.591 285 L N 1.051 122.273 121.223 -0.001 0.000 2.265 285 L HA -0.095 4.246 4.340 0.000 0.000 0.215 285 L C 1.614 178.495 176.870 0.019 0.000 1.117 285 L CA 1.105 55.961 54.840 0.028 0.000 0.782 285 L CB -0.018 42.065 42.059 0.041 0.000 0.914 285 L HN 0.421 nan 8.230 nan 0.000 0.441 286 E N -0.606 119.596 120.200 0.002 0.000 2.086 286 E HA -0.014 4.337 4.350 0.000 0.000 0.190 286 E C 1.853 178.462 176.600 0.015 0.000 0.975 286 E CA 1.068 57.477 56.400 0.015 0.000 0.813 286 E CB 0.024 29.736 29.700 0.021 0.000 0.768 286 E HN 0.437 nan 8.360 nan 0.000 0.457 287 G N 0.990 109.771 108.800 -0.032 0.000 2.253 287 G HA2 -0.225 3.735 3.960 0.000 0.000 0.209 287 G HA3 -0.225 3.735 3.960 0.000 0.000 0.209 287 G C 0.153 175.040 174.900 -0.022 0.000 0.997 287 G CA -0.016 45.066 45.100 -0.029 0.000 0.640 287 G HN 0.214 nan 8.290 nan 0.000 0.496 288 K N 0.209 120.628 120.400 0.032 0.000 2.322 288 K HA 0.398 4.718 4.320 0.000 0.000 0.283 288 K C -0.625 176.057 176.600 0.136 0.000 1.042 288 K CA -0.460 55.917 56.287 0.150 0.000 0.958 288 K CB 0.670 33.242 32.500 0.121 0.000 0.984 288 K HN 0.206 nan 8.250 nan 0.000 0.473 289 W N 3.147 124.529 121.300 0.137 0.000 2.338 289 W HA 0.143 4.803 4.660 0.000 0.000 0.307 289 W C 0.342 177.047 176.519 0.310 0.000 1.167 289 W CA -0.597 56.882 57.345 0.223 0.000 1.208 289 W CB 0.477 30.076 29.460 0.232 0.000 1.228 289 W HN 0.532 nan 8.180 nan 0.000 0.499 290 E N 3.612 124.075 120.200 0.439 0.000 2.179 290 E HA 0.537 4.887 4.350 0.000 0.000 0.275 290 E C -2.568 174.201 176.600 0.281 0.000 0.945 290 E CA -2.537 54.061 56.400 0.329 0.000 0.792 290 E CB 1.536 31.336 29.700 0.168 0.000 1.125 290 E HN 0.030 nan 8.360 nan 0.000 0.397 291 P HA 0.058 nan 4.420 nan 0.000 0.267 291 P C -0.751 176.439 177.300 -0.184 0.000 1.205 291 P CA 0.126 62.981 63.100 -0.408 0.000 0.765 291 P CB 1.147 32.430 31.700 -0.694 0.000 0.828 292 A N 3.547 126.271 122.820 -0.160 0.000 2.388 292 A HA 0.623 4.943 4.320 0.000 0.000 0.280 292 A C 0.786 178.310 177.584 -0.100 0.000 1.377 292 A CA -0.112 51.894 52.037 -0.051 0.000 0.863 292 A CB -0.625 18.398 19.000 0.038 0.000 1.416 292 A HN 0.549 nan 8.150 nan 0.000 0.517 293 G N 0.486 109.257 108.800 -0.048 0.000 2.255 293 G HA2 0.376 4.336 3.960 0.000 0.000 0.267 293 G HA3 0.376 4.336 3.960 0.000 0.000 0.267 293 G C -0.175 174.668 174.900 -0.095 0.000 1.177 293 G CA -0.045 45.020 45.100 -0.058 0.000 1.027 293 G HN 0.636 nan 8.290 nan 0.000 0.437 294 E N 0.580 120.715 120.200 -0.109 0.000 2.384 294 E HA 0.289 4.639 4.350 0.000 0.000 0.266 294 E C -0.385 176.147 176.600 -0.114 0.000 1.012 294 E CA -0.041 56.288 56.400 -0.117 0.000 0.901 294 E CB 1.551 31.187 29.700 -0.107 0.000 0.967 294 E HN 0.189 nan 8.360 nan 0.000 0.435 295 V N 4.238 124.082 119.914 -0.117 0.000 2.567 295 V HA 0.252 4.372 4.120 0.000 0.000 0.298 295 V C -0.767 175.238 176.094 -0.147 0.000 1.047 295 V CA -0.574 61.606 62.300 -0.200 0.000 0.880 295 V CB 0.679 32.379 31.823 -0.205 0.000 1.009 295 V HN 0.888 nan 8.190 nan 0.000 0.429 1134 D N 0.756 121.151 120.400 -0.010 0.000 2.386 1134 D HA 0.361 5.001 4.640 0.000 0.000 0.247 1134 D C -0.426 175.867 176.300 -0.013 0.000 1.336 1134 D CA -0.104 53.891 54.000 -0.008 0.000 0.976 1134 D CB 0.412 41.208 40.800 -0.007 0.000 1.257 1134 D HN 0.547 nan 8.370 nan 0.000 0.570 1135 N N 2.119 120.812 118.700 -0.010 0.000 2.936 1135 N HA -0.218 4.522 4.740 0.000 0.000 0.236 1135 N C 0.857 176.346 175.510 -0.034 0.000 0.930 1135 N CA 1.341 54.385 53.050 -0.011 0.000 0.966 1135 N CB -1.180 37.306 38.487 -0.002 0.000 1.090 1135 N HN 0.475 nan 8.380 nan 0.000 0.592 1136 A N -0.133 122.661 122.820 -0.044 0.000 2.095 1136 A HA 0.088 4.408 4.320 0.000 0.000 0.212 1136 A C 2.058 179.602 177.584 -0.067 0.000 1.162 1136 A CA 1.179 53.171 52.037 -0.075 0.000 0.753 1136 A CB 0.054 19.017 19.000 -0.062 0.000 0.840 1136 A HN 0.321 nan 8.150 nan 0.000 0.468 1137 K N 0.043 120.423 120.400 -0.034 0.000 1.973 1137 K HA -0.038 4.282 4.320 0.000 0.000 0.212 1137 K C 1.753 178.339 176.600 -0.022 0.000 1.047 1137 K CA 1.542 57.819 56.287 -0.016 0.000 0.937 1137 K CB -0.480 32.019 32.500 -0.003 0.000 0.721 1137 K HN 0.394 nan 8.250 nan 0.000 0.440 1138 L N 1.427 122.639 121.223 -0.019 0.000 2.021 1138 L HA -0.219 4.121 4.340 0.000 0.000 0.215 1138 L C 1.570 178.415 176.870 -0.043 0.000 1.074 1138 L CA 0.923 55.757 54.840 -0.009 0.000 0.760 1138 L CB -0.684 41.382 42.059 0.011 0.000 0.889 1138 L HN 0.203 nan 8.230 nan 0.000 0.433 1142 E N 1.604 121.843 120.200 0.065 0.000 2.516 1142 E HA -0.073 4.277 4.350 0.000 0.000 0.199 1142 E C 1.228 177.950 176.600 0.204 0.000 1.069 1142 E CA 0.694 57.174 56.400 0.134 0.000 0.876 1142 E CB 0.303 30.110 29.700 0.178 0.000 0.843 1142 E HN -0.031 nan 8.360 nan 0.000 0.530 1143 R N 0.713 121.300 120.500 0.144 0.000 2.468 1143 R HA 0.192 4.532 4.340 0.000 0.000 0.280 1143 R C -0.171 176.235 176.300 0.175 0.000 0.963 1143 R CA -0.080 56.128 56.100 0.180 0.000 1.083 1143 R CB -0.298 29.990 30.300 -0.020 0.000 1.200 1143 R HN 0.031 nan 8.270 nan 0.000 0.541 1144 R N 0.094 120.604 120.500 0.017 0.000 3.211 1144 R HA -0.240 4.100 4.340 0.000 0.000 0.240 1144 R C -1.023 175.308 176.300 0.051 0.000 0.915 1144 R CA 0.890 56.917 56.100 -0.123 0.000 0.621 1144 R CB -1.632 28.322 30.300 -0.577 0.000 1.008 1144 R HN 0.173 nan 8.270 nan 0.000 0.471 1145 F N 0.231 120.116 119.950 -0.109 0.000 2.427 1145 F HA 0.312 4.839 4.527 0.000 0.000 0.346 1145 F C 0.923 176.633 175.800 -0.150 0.000 1.120 1145 F CA -0.233 57.637 58.000 -0.216 0.000 1.033 1145 F CB 1.090 39.885 39.000 -0.341 0.000 1.126 1145 F HN 0.084 nan 8.300 nan 0.000 0.462 1146 T N 2.173 116.307 114.554 -0.701 0.000 2.849 1146 T HA 0.572 4.922 4.350 0.000 0.000 0.276 1146 T C 0.899 175.275 174.700 -0.540 0.000 0.971 1146 T CA -0.138 61.739 62.100 -0.371 0.000 0.949 1146 T CB 1.450 70.307 68.868 -0.019 0.000 1.093 1146 T HN 0.735 nan 8.240 nan 0.000 0.545 1147 A N 0.503 123.203 122.820 -0.201 0.000 2.218 1147 A HA 0.286 4.606 4.320 0.000 0.000 0.209 1147 A C 1.589 179.123 177.584 -0.082 0.000 1.168 1147 A CA 0.375 52.348 52.037 -0.106 0.000 0.804 1147 A CB -0.608 18.381 19.000 -0.019 0.000 0.834 1147 A HN 1.066 nan 8.150 nan 0.000 0.482 1148 S N -0.335 115.322 115.700 -0.072 0.000 3.681 1148 S HA 0.386 4.856 4.470 0.000 0.000 0.203 1148 S C -0.682 173.949 174.600 0.052 0.000 1.408 1148 S CA -0.499 57.718 58.200 0.029 0.000 0.942 1148 S CB -0.527 62.736 63.200 0.104 0.000 1.437 1148 S HN 0.291 nan 8.310 nan 0.000 0.482 1149 Y N 3.027 123.162 120.300 -0.276 0.000 2.717 1149 Y HA 0.406 4.956 4.550 0.000 0.000 0.329 1149 Y C 0.065 175.884 175.900 -0.136 0.000 1.017 1149 Y CA -0.646 57.170 58.100 -0.474 0.000 1.275 1149 Y CB 0.077 38.222 38.460 -0.525 0.000 1.109 1149 Y HN 0.499 nan 8.280 nan 0.000 0.511 1150 T N 6.066 120.454 114.554 -0.276 0.000 2.927 1150 T HA 0.633 4.984 4.350 0.000 0.000 0.281 1150 T C -0.995 173.471 174.700 -0.390 0.000 0.998 1150 T CA -0.271 61.634 62.100 -0.324 0.000 1.019 1150 T CB 0.994 69.743 68.868 -0.199 0.000 1.061 1150 T HN 0.436 nan 8.240 nan 0.000 0.518 1151 F N -1.875 117.852 119.950 -0.371 0.000 2.668 1151 F HA 0.804 5.331 4.527 0.000 0.000 0.309 1151 F C -1.319 174.366 175.800 -0.191 0.000 1.117 1151 F CA -1.711 56.106 58.000 -0.306 0.000 0.951 1151 F CB 1.101 39.885 39.000 -0.361 0.000 1.323 1151 F HN 0.740 nan 8.300 nan 0.000 0.451 1152 A N 2.468 125.325 122.820 0.061 0.000 2.604 1152 A HA 0.615 4.936 4.320 0.000 0.000 0.285 1152 A C -1.544 176.037 177.584 -0.005 0.000 1.095 1152 A CA -0.825 51.181 52.037 -0.052 0.000 0.842 1152 A CB 0.842 19.729 19.000 -0.189 0.000 1.385 1152 A HN 0.737 nan 8.150 nan 0.000 0.404 1153 K N 1.627 122.071 120.400 0.074 0.000 2.221 1153 K HA 0.610 4.930 4.320 0.000 0.000 0.258 1153 K C -0.953 175.680 176.600 0.055 0.000 0.944 1153 K CA -0.474 55.878 56.287 0.109 0.000 0.823 1153 K CB 1.700 34.320 32.500 0.200 0.000 1.113 1153 K HN 0.554 nan 8.250 nan 0.000 0.431 1154 F N 0.744 120.778 119.950 0.139 0.000 2.490 1154 F HA 0.043 4.570 4.527 0.000 0.000 0.336 1154 F C 1.094 176.975 175.800 0.134 0.000 1.178 1154 F CA 0.614 58.690 58.000 0.126 0.000 1.301 1154 F CB 0.956 40.041 39.000 0.142 0.000 1.175 1154 F HN 0.393 nan 8.300 nan 0.000 0.593 1155 S N -0.164 115.734 115.700 0.330 0.000 2.704 1155 S HA 0.206 4.676 4.470 0.000 0.000 0.305 1155 S C 0.921 175.611 174.600 0.149 0.000 1.107 1155 S CA -0.688 57.635 58.200 0.204 0.000 0.993 1155 S CB 1.752 65.040 63.200 0.147 0.000 1.110 1155 S HN 0.673 nan 8.310 nan 0.000 0.534 1156 T N 1.626 116.199 114.554 0.032 0.000 2.778 1156 T HA -0.085 4.265 4.350 0.000 0.000 0.269 1156 T C 1.645 176.322 174.700 -0.038 0.000 1.050 1156 T CA 1.476 63.520 62.100 -0.094 0.000 1.137 1156 T CB -0.539 68.127 68.868 -0.337 0.000 0.860 1156 T HN 0.780 nan 8.240 nan 0.000 0.468 1157 G N 0.838 109.657 108.800 0.032 0.000 3.155 1157 G HA2 0.325 4.285 3.960 0.000 0.000 0.213 1157 G HA3 0.325 4.285 3.960 0.000 0.000 0.213 1157 G C 0.298 175.317 174.900 0.197 0.000 1.196 1157 G CA 0.116 45.277 45.100 0.101 0.000 0.846 1157 G HN 0.411 nan 8.290 nan 0.000 0.516 1161 L N 4.043 125.215 121.223 -0.084 0.000 2.312 1161 L HA 0.823 5.163 4.340 0.000 0.000 0.281 1161 L C -0.214 176.594 176.870 -0.103 0.000 1.070 1161 L CA -0.150 54.685 54.840 -0.008 0.000 0.805 1161 L CB 1.799 43.928 42.059 0.115 0.000 1.174 1161 L HN 0.689 nan 8.230 nan 0.000 0.434 1162 T N 1.387 115.825 114.554 -0.193 0.000 2.982 1162 T HA 0.222 4.572 4.350 0.000 0.000 0.321 1162 T C -0.938 173.408 174.700 -0.590 0.000 1.229 1162 T CA -0.963 60.844 62.100 -0.489 0.000 1.044 1162 T CB 1.982 70.576 68.868 -0.455 0.000 1.184 1162 T HN 0.540 nan 8.240 nan 0.000 0.477 1163 K N 2.141 121.951 120.400 -0.983 0.000 2.368 1163 K HA 0.538 4.858 4.320 0.000 0.000 0.282 1163 K C -0.789 175.547 176.600 -0.440 0.000 1.035 1163 K CA -0.031 55.879 56.287 -0.628 0.000 0.973 1163 K CB 0.620 32.728 32.500 -0.652 0.000 0.957 1163 K HN 0.341 nan 8.250 nan 0.000 0.474 1164 D N 2.247 122.485 120.400 -0.270 0.000 2.961 1164 D HA 0.349 4.989 4.640 0.000 0.000 0.257 1164 D C -0.080 176.148 176.300 -0.120 0.000 1.211 1164 D CA -0.735 53.144 54.000 -0.201 0.000 1.066 1164 D CB 0.785 41.489 40.800 -0.160 0.000 1.291 1164 D HN 0.585 nan 8.370 nan 0.000 0.629 1165 I N 0.408 120.925 120.570 -0.089 0.000 4.338 1165 I HA 0.130 4.300 4.170 0.000 0.000 0.329 1165 I C -0.426 175.649 176.117 -0.071 0.000 1.378 1165 I CA 0.176 61.436 61.300 -0.067 0.000 1.170 1165 I CB 0.935 38.909 38.000 -0.044 0.000 1.206 1165 I HN -0.032 nan 8.210 nan 0.000 0.432 1166 V N 3.129 122.998 119.914 -0.074 0.000 2.157 1166 V HA 0.566 4.686 4.120 0.000 0.000 0.241 1166 V C 0.487 176.509 176.094 -0.120 0.000 1.349 1166 V CA 0.357 62.614 62.300 -0.072 0.000 1.319 1166 V CB -1.129 30.668 31.823 -0.043 0.000 1.421 1166 V HN 0.477 nan 8.190 nan 0.000 0.501 1167 G N 3.122 111.835 108.800 -0.145 0.000 2.368 1167 G HA2 0.142 4.102 3.960 0.000 0.000 0.303 1167 G HA3 0.142 4.102 3.960 0.000 0.000 0.303 1167 G C -0.201 174.562 174.900 -0.228 0.000 1.590 1167 G CA -0.894 44.056 45.100 -0.250 0.000 0.938 1167 G HN 0.332 nan 8.290 nan 0.000 0.675 1168 K N -0.337 119.910 120.400 -0.255 0.000 2.574 1168 K HA 0.131 4.452 4.320 0.000 0.000 0.193 1168 K C 1.351 177.828 176.600 -0.205 0.000 1.035 1168 K CA 1.187 57.380 56.287 -0.156 0.000 0.982 1168 K CB 0.250 32.708 32.500 -0.071 0.000 0.795 1168 K HN 0.326 nan 8.250 nan 0.000 0.491 1169 S N -0.477 115.023 115.700 -0.334 0.000 3.093 1169 S HA 0.203 4.673 4.470 0.000 0.000 0.251 1169 S C 0.354 174.854 174.600 -0.166 0.000 0.905 1169 S CA 0.185 58.218 58.200 -0.279 0.000 1.124 1169 S CB 0.478 63.285 63.200 -0.655 0.000 1.124 1169 S HN 0.429 nan 8.310 nan 0.000 0.574 1170 G N 1.231 109.938 108.800 -0.155 0.000 2.422 1170 G HA2 -0.210 3.750 3.960 0.000 0.000 0.301 1170 G HA3 -0.210 3.750 3.960 0.000 0.000 0.301 1170 G C -0.091 174.756 174.900 -0.088 0.000 0.981 1170 G CA 0.775 45.813 45.100 -0.104 0.000 0.994 1170 G HN 0.941 nan 8.290 nan 0.000 0.514 1171 V N 0.389 120.220 119.914 -0.138 0.000 2.439 1171 V HA 0.377 4.497 4.120 0.000 0.000 0.277 1171 V C 0.458 176.505 176.094 -0.079 0.000 1.008 1171 V CA -0.587 61.679 62.300 -0.057 0.000 0.846 1171 V CB 1.538 33.406 31.823 0.074 0.000 1.031 1171 V HN 0.373 nan 8.190 nan 0.000 0.441 1172 S N 4.860 120.510 115.700 -0.083 0.000 2.564 1172 S HA 0.489 4.959 4.470 0.000 0.000 0.278 1172 S C 0.629 175.249 174.600 0.032 0.000 1.333 1172 S CA -0.202 57.983 58.200 -0.025 0.000 1.048 1172 S CB 0.671 63.877 63.200 0.010 0.000 0.900 1172 S HN 0.609 nan 8.310 nan 0.000 0.505 1173 I N 1.983 122.595 120.570 0.070 0.000 3.399 1173 I HA 0.184 4.354 4.170 0.000 0.000 0.345 1173 I C 0.320 176.471 176.117 0.058 0.000 1.512 1173 I CA -0.316 61.033 61.300 0.081 0.000 1.047 1173 I CB -0.130 37.941 38.000 0.118 0.000 1.552 1173 I HN 0.382 nan 8.210 nan 0.000 0.494 1174 K N 3.239 123.664 120.400 0.041 0.000 2.542 1174 K HA 0.030 4.350 4.320 0.000 0.000 0.276 1174 K C 0.579 177.190 176.600 0.017 0.000 0.963 1174 K CA 0.112 56.410 56.287 0.019 0.000 0.975 1174 K CB 0.585 33.080 32.500 -0.008 0.000 0.901 1174 K HN 0.428 nan 8.250 nan 0.000 0.506 1175 R N 2.887 123.397 120.500 0.016 0.000 2.459 1175 R HA 0.220 4.560 4.340 0.000 0.000 0.281 1175 R C 0.023 176.322 176.300 -0.003 0.000 1.050 1175 R CA -0.672 55.447 56.100 0.031 0.000 1.055 1175 R CB 0.333 30.662 30.300 0.048 0.000 1.045 1175 R HN 0.440 nan 8.270 nan 0.000 0.495 1176 L N 2.488 123.696 121.223 -0.024 0.000 2.516 1176 L HA 0.037 4.377 4.340 0.000 0.000 0.288 1176 L C -1.484 175.360 176.870 -0.044 0.000 1.246 1176 L CA -1.322 53.450 54.840 -0.114 0.000 0.844 1176 L CB 0.259 42.068 42.059 -0.417 0.000 1.106 1176 L HN 0.512 nan 8.230 nan 0.000 0.509 1177 P HA 0.047 nan 4.420 nan 0.000 0.252 1177 P C -0.223 177.111 177.300 0.057 0.000 1.727 1177 P CA -0.417 62.680 63.100 -0.005 0.000 1.134 1177 P CB -0.478 31.205 31.700 -0.029 0.000 1.876 1178 T N -0.253 114.366 114.554 0.108 0.000 3.333 1178 T HA -0.003 4.347 4.350 0.000 0.000 0.240 1178 T C 1.346 176.130 174.700 0.140 0.000 0.961 1178 T CA -0.290 61.916 62.100 0.178 0.000 1.215 1178 T CB -0.385 68.596 68.868 0.188 0.000 1.031 1178 T HN 0.454 nan 8.240 nan 0.000 0.709 1179 E N 1.802 122.083 120.200 0.134 0.000 2.130 1179 E HA -0.196 4.154 4.350 0.000 0.000 0.196 1179 E C 0.963 177.635 176.600 0.121 0.000 0.998 1179 E CA 0.283 56.749 56.400 0.110 0.000 0.806 1179 E CB -0.263 29.500 29.700 0.105 0.000 0.738 1179 E HN 0.550 nan 8.360 nan 0.000 0.459 1180 L N 3.021 124.331 121.223 0.145 0.000 2.513 1180 L HA -0.010 4.330 4.340 0.000 0.000 0.272 1180 L C -0.642 176.296 176.870 0.112 0.000 1.187 1180 L CA 0.378 55.304 54.840 0.142 0.000 0.895 1180 L CB 0.865 43.029 42.059 0.176 0.000 1.147 1180 L HN 0.228 nan 8.230 nan 0.000 0.483 1181 Q N 6.315 126.176 119.800 0.100 0.000 2.303 1181 Q HA 0.529 4.870 4.340 0.000 0.000 0.267 1181 Q C -1.518 174.506 176.000 0.041 0.000 1.011 1181 Q CA -0.627 55.232 55.803 0.093 0.000 0.740 1181 Q CB 1.766 30.572 28.738 0.114 0.000 1.250 1181 Q HN 0.649 nan 8.270 nan 0.000 0.458 1182 R N 2.572 123.013 120.500 -0.097 0.000 2.522 1182 R HA 0.288 4.628 4.340 0.000 0.000 0.283 1182 R C 0.265 176.341 176.300 -0.373 0.000 1.074 1182 R CA -0.502 55.452 56.100 -0.244 0.000 0.925 1182 R CB 1.977 31.981 30.300 -0.494 0.000 1.205 1182 R HN 0.786 nan 8.270 nan 0.000 0.436 1183 K N 2.081 122.439 120.400 -0.070 0.000 2.025 1183 K HA -0.095 4.225 4.320 0.000 0.000 0.207 1183 K C 1.579 178.170 176.600 -0.015 0.000 1.049 1183 K CA 1.757 58.133 56.287 0.149 0.000 0.933 1183 K CB -0.079 32.534 32.500 0.187 0.000 0.714 1183 K HN 0.462 nan 8.250 nan 0.000 0.438 1184 F N 0.460 120.322 119.950 -0.146 0.000 2.408 1184 F HA -0.041 4.486 4.527 0.000 0.000 0.300 1184 F C 1.444 177.011 175.800 -0.389 0.000 1.090 1184 F CA 0.474 58.327 58.000 -0.246 0.000 1.427 1184 F CB -0.552 38.203 39.000 -0.408 0.000 1.070 1184 F HN -0.082 nan 8.300 nan 0.000 0.549 1185 L N -0.194 120.317 121.223 -1.188 0.000 2.017 1185 L HA -0.183 4.157 4.340 0.000 0.000 0.208 1185 L C 2.187 178.709 176.870 -0.580 0.000 1.073 1185 L CA 1.457 55.693 54.840 -1.007 0.000 0.745 1185 L CB -0.914 40.448 42.059 -1.161 0.000 0.894 1185 L HN 0.142 nan 8.230 nan 0.000 0.432 1186 F N -0.741 119.085 119.950 -0.207 0.000 2.664 1186 F HA -0.096 4.432 4.527 0.000 0.000 0.297 1186 F C 0.952 176.729 175.800 -0.039 0.000 1.164 1186 F CA 0.037 57.975 58.000 -0.102 0.000 1.472 1186 F CB -0.635 38.319 39.000 -0.077 0.000 1.108 1186 F HN 0.050 nan 8.300 nan 0.000 0.596 1187 D N 0.373 120.828 120.400 0.091 0.000 2.225 1187 D HA 0.054 4.694 4.640 0.000 0.000 0.248 1187 D C 0.631 177.007 176.300 0.127 0.000 1.096 1187 D CA -0.169 53.910 54.000 0.132 0.000 0.863 1187 D CB 1.086 41.990 40.800 0.173 0.000 1.156 1187 D HN -0.074 nan 8.370 nan 0.000 0.450 1188 D N 2.036 122.506 120.400 0.116 0.000 2.234 1188 D HA -0.078 4.562 4.640 0.000 0.000 0.205 1188 D C 1.946 178.310 176.300 0.106 0.000 0.962 1188 D CA 0.545 54.604 54.000 0.098 0.000 0.855 1188 D CB 0.337 41.180 40.800 0.073 0.000 0.951 1188 D HN 0.202 nan 8.370 nan 0.000 0.500 1189 V N 0.580 120.578 119.914 0.140 0.000 2.759 1189 V HA -0.218 3.902 4.120 0.000 0.000 0.256 1189 V C 1.945 178.161 176.094 0.204 0.000 1.080 1189 V CA 1.015 63.411 62.300 0.160 0.000 1.101 1189 V CB -0.567 31.368 31.823 0.187 0.000 0.698 1189 V HN 0.204 nan 8.190 nan 0.000 0.477 1190 Y N 0.617 120.948 120.300 0.052 0.000 2.184 1190 Y HA -0.149 4.401 4.550 0.000 0.000 0.290 1190 Y C 2.191 178.063 175.900 -0.047 0.000 1.129 1190 Y CA 1.529 59.564 58.100 -0.109 0.000 1.144 1190 Y CB -0.348 37.966 38.460 -0.243 0.000 0.995 1190 Y HN 0.209 nan 8.280 nan 0.000 0.513 1191 L N 0.854 122.071 121.223 -0.010 0.000 2.013 1191 L HA -0.232 4.108 4.340 0.000 0.000 0.212 1191 L C 2.208 178.944 176.870 -0.223 0.000 1.073 1191 L CA 2.556 57.340 54.840 -0.093 0.000 0.753 1191 L CB -1.260 40.846 42.059 0.078 0.000 0.890 1191 L HN 0.372 nan 8.230 nan 0.000 0.432 1192 D N -0.207 120.138 120.400 -0.093 0.000 2.087 1192 D HA -0.296 4.344 4.640 0.000 0.000 0.192 1192 D C 2.079 178.320 176.300 -0.099 0.000 0.993 1192 D CA 1.751 55.707 54.000 -0.072 0.000 0.828 1192 D CB -0.041 40.757 40.800 -0.004 0.000 0.968 1192 D HN 0.388 nan 8.370 nan 0.000 0.448 1193 K N 0.197 120.555 120.400 -0.070 0.000 2.525 1193 K HA -0.051 4.269 4.320 0.000 0.000 0.192 1193 K C 1.848 178.371 176.600 -0.128 0.000 1.029 1193 K CA 0.381 56.641 56.287 -0.045 0.000 1.029 1193 K CB 0.149 32.686 32.500 0.062 0.000 0.814 1193 K HN 0.129 nan 8.250 nan 0.000 0.503 1194 E N 0.107 120.129 120.200 -0.297 0.000 2.276 1194 E HA -0.014 4.337 4.350 0.000 0.000 0.193 1194 E C 1.541 177.924 176.600 -0.362 0.000 0.983 1194 E CA 0.247 56.407 56.400 -0.400 0.000 0.861 1194 E CB 0.200 29.473 29.700 -0.713 0.000 0.817 1194 E HN 0.282 nan 8.360 nan 0.000 0.485 1195 I N 1.236 121.573 120.570 -0.389 0.000 2.252 1195 I HA -0.232 3.938 4.170 0.000 0.000 0.245 1195 I C 2.075 178.174 176.117 -0.030 0.000 1.102 1195 I CA 1.137 62.320 61.300 -0.196 0.000 1.385 1195 I CB -0.283 37.636 38.000 -0.136 0.000 1.064 1195 I HN 0.108 nan 8.210 nan 0.000 0.414 1196 E N 1.174 121.344 120.200 -0.051 0.000 2.171 1196 E HA -0.215 4.135 4.350 0.000 0.000 0.197 1196 E C 1.574 178.170 176.600 -0.006 0.000 0.997 1196 E CA 0.903 57.293 56.400 -0.016 0.000 0.810 1196 E CB -0.070 29.621 29.700 -0.015 0.000 0.738 1196 E HN 0.386 nan 8.360 nan 0.000 0.467 1197 K N 0.731 121.124 120.400 -0.011 0.000 2.616 1197 K HA 0.022 4.342 4.320 0.000 0.000 0.192 1197 K C 0.052 176.648 176.600 -0.007 0.000 1.031 1197 K CA 0.341 56.624 56.287 -0.005 0.000 1.004 1197 K CB 0.174 32.667 32.500 -0.010 0.000 0.810 1197 K HN -0.013 nan 8.250 nan 0.000 0.497 1198 V N 0.294 120.215 119.914 0.011 0.000 2.914 1198 V HA 0.244 4.365 4.120 0.000 0.000 0.314 1198 V C -0.131 175.948 176.094 -0.025 0.000 1.084 1198 V CA -0.919 61.371 62.300 -0.016 0.000 0.963 1198 V CB 2.207 34.062 31.823 0.054 0.000 1.025 1198 V HN -0.066 nan 8.190 nan 0.000 0.432 1199 T N 4.200 118.720 114.554 -0.057 0.000 2.963 1199 T HA 0.555 4.905 4.350 0.000 0.000 0.343 1199 T C -0.193 174.472 174.700 -0.059 0.000 1.146 1199 T CA -0.050 62.027 62.100 -0.038 0.000 1.016 1199 T CB 0.123 68.979 68.868 -0.020 0.000 1.046 1199 T HN 0.379 nan 8.240 nan 0.000 0.496 1200 I N 3.054 123.594 120.570 -0.050 0.000 2.474 1200 I HA 0.336 4.506 4.170 0.000 0.000 0.287 1200 I C 0.598 176.688 176.117 -0.044 0.000 1.048 1200 I CA -0.151 61.110 61.300 -0.066 0.000 1.383 1200 I CB 0.771 38.745 38.000 -0.044 0.000 1.412 1200 I HN 0.559 nan 8.210 nan 0.000 0.531 1201 E N 5.501 125.672 120.200 -0.049 0.000 2.331 1201 E HA 0.642 4.992 4.350 0.000 0.000 0.275 1201 E C -1.455 175.131 176.600 -0.023 0.000 0.895 1201 E CA -0.886 55.496 56.400 -0.029 0.000 0.753 1201 E CB 2.047 31.734 29.700 -0.021 0.000 1.216 1201 E HN 0.671 nan 8.360 nan 0.000 0.434 1202 A N 3.803 126.614 122.820 -0.014 0.000 2.371 1202 A HA 0.461 4.781 4.320 0.000 0.000 0.257 1202 A C 0.207 177.796 177.584 0.008 0.000 1.089 1202 A CA -0.527 51.509 52.037 -0.002 0.000 0.794 1202 A CB 0.586 19.577 19.000 -0.014 0.000 1.029 1202 A HN 0.593 nan 8.150 nan 0.000 0.488 1203 R N 0.486 121.003 120.500 0.029 0.000 2.652 1203 R HA 0.223 4.563 4.340 0.000 0.000 0.272 1203 R C 0.390 176.707 176.300 0.028 0.000 1.162 1203 R CA -0.112 56.006 56.100 0.031 0.000 1.199 1203 R CB 0.205 30.534 30.300 0.049 0.000 1.166 1203 R HN 0.771 nan 8.270 nan 0.000 0.597 1204 K N 0.028 120.443 120.400 0.026 0.000 2.374 1204 K HA 0.055 4.375 4.320 0.000 0.000 0.196 1204 K C 0.874 177.491 176.600 0.029 0.000 1.023 1204 K CA 0.402 56.702 56.287 0.021 0.000 1.103 1204 K CB 0.498 33.006 32.500 0.014 0.000 0.848 1204 K HN 0.510 nan 8.250 nan 0.000 0.528 1205 S N 0.224 115.950 115.700 0.042 0.000 2.780 1205 S HA 0.108 4.578 4.470 0.000 0.000 0.248 1205 S C -0.250 174.397 174.600 0.077 0.000 1.036 1205 S CA -0.645 57.586 58.200 0.050 0.000 1.061 1205 S CB -0.234 62.994 63.200 0.046 0.000 1.037 1205 S HN 0.312 nan 8.310 nan 0.000 0.584 1206 N N -0.454 118.300 118.700 0.090 0.000 4.104 1206 N HA 0.234 4.974 4.740 0.000 0.000 0.214 1206 N C -3.222 172.341 175.510 0.089 0.000 1.270 1206 N CA -1.092 52.038 53.050 0.133 0.000 0.894 1206 N CB 0.077 38.734 38.487 0.285 0.000 1.495 1206 N HN -0.135 nan 8.380 nan 0.000 0.506 1207 P HA -0.042 nan 4.420 nan 0.000 0.234 1207 P C -0.302 176.926 177.300 -0.119 0.000 1.167 1207 P CA 0.726 63.766 63.100 -0.100 0.000 0.763 1207 P CB -0.131 31.450 31.700 -0.198 0.000 0.835 1208 Y N 3.260 123.563 120.300 0.006 0.000 2.650 1208 Y HA 0.066 4.616 4.550 0.000 0.000 0.331 1208 Y C -1.227 174.666 175.900 -0.012 0.000 1.165 1208 Y CA -2.158 55.944 58.100 0.003 0.000 1.473 1208 Y CB -0.670 37.796 38.460 0.011 0.000 1.224 1208 Y HN 0.077 nan 8.280 nan 0.000 0.533 1209 P HA -0.002 nan 4.420 nan 0.000 0.268 1209 P C -1.070 176.229 177.300 -0.002 0.000 1.205 1209 P CA 0.038 63.152 63.100 0.024 0.000 0.771 1209 P CB 0.913 32.617 31.700 0.008 0.000 0.858 1210 Q N 1.162 120.928 119.800 -0.057 0.000 2.386 1210 Q HA 0.356 4.696 4.340 0.000 0.000 0.274 1210 Q C -0.758 175.132 176.000 -0.184 0.000 1.011 1210 Q CA -1.077 54.654 55.803 -0.120 0.000 0.867 1210 Q CB 1.589 30.293 28.738 -0.057 0.000 1.409 1210 Q HN 0.268 nan 8.270 nan 0.000 0.395 1211 I N 1.307 121.660 120.570 -0.363 0.000 2.752 1211 I HA -0.112 4.058 4.170 0.000 0.000 0.289 1211 I C 1.132 177.174 176.117 -0.126 0.000 1.197 1211 I CA 1.089 62.132 61.300 -0.428 0.000 1.432 1211 I CB 0.920 38.320 38.000 -0.999 0.000 1.359 1211 I HN 0.706 nan 8.210 nan 0.000 0.571 1212 S N 4.313 119.979 115.700 -0.058 0.000 2.566 1212 S HA 0.251 4.721 4.470 0.000 0.000 0.234 1212 S C 0.425 175.159 174.600 0.224 0.000 1.075 1212 S CA 0.123 58.367 58.200 0.074 0.000 0.926 1212 S CB 0.269 63.479 63.200 0.017 0.000 0.811 1212 S HN 0.607 nan 8.310 nan 0.000 0.518 1213 E N 1.377 121.632 120.200 0.093 0.000 2.234 1213 E HA 0.514 4.864 4.350 0.000 0.000 0.266 1213 E C -1.540 174.983 176.600 -0.127 0.000 0.877 1213 E CA -0.242 56.228 56.400 0.118 0.000 0.758 1213 E CB 1.804 31.539 29.700 0.057 0.000 1.170 1213 E HN 0.179 nan 8.360 nan 0.000 0.415 1214 S N 0.813 116.406 115.700 -0.177 0.000 2.571 1214 S HA 0.354 4.824 4.470 0.000 0.000 0.284 1214 S C -0.322 174.211 174.600 -0.112 0.000 1.128 1214 S CA -0.574 57.393 58.200 -0.388 0.000 0.970 1214 S CB 0.711 63.268 63.200 -1.072 0.000 1.039 1214 S HN 0.374 nan 8.310 nan 0.000 0.485 1215 S N 4.572 120.222 115.700 -0.083 0.000 2.581 1215 S HA 0.389 4.860 4.470 0.000 0.000 0.245 1215 S C -0.141 174.436 174.600 -0.038 0.000 1.115 1215 S CA -0.558 57.628 58.200 -0.023 0.000 1.093 1215 S CB -0.563 62.638 63.200 0.002 0.000 0.853 1215 S HN 0.648 nan 8.310 nan 0.000 0.479 1216 L N 2.544 123.700 121.223 -0.112 0.000 2.325 1216 L HA 0.446 4.787 4.340 0.000 0.000 0.284 1216 L C -0.232 176.577 176.870 -0.102 0.000 1.089 1216 L CA -0.270 54.485 54.840 -0.142 0.000 0.836 1216 L CB 0.602 42.442 42.059 -0.365 0.000 1.184 1216 L HN 0.292 nan 8.230 nan 0.000 0.444 1217 L N 1.904 123.148 121.223 0.035 0.000 2.332 1217 L HA 0.376 4.716 4.340 0.000 0.000 0.269 1217 L C 0.707 177.694 176.870 0.195 0.000 1.016 1217 L CA -0.756 54.149 54.840 0.110 0.000 0.809 1217 L CB 1.206 43.348 42.059 0.138 0.000 1.280 1217 L HN 0.386 nan 8.230 nan 0.000 0.447 1218 F N 0.322 120.403 119.950 0.218 0.000 2.171 1218 F HA -0.158 4.369 4.527 0.000 0.000 0.300 1218 F C 2.259 178.118 175.800 0.098 0.000 1.090 1218 F CA 1.288 59.408 58.000 0.200 0.000 1.293 1218 F CB -0.341 38.759 39.000 0.166 0.000 1.013 1218 F HN 0.482 nan 8.300 nan 0.000 0.486 1219 K N 0.173 120.720 120.400 0.245 0.000 2.107 1219 K HA -0.262 4.058 4.320 0.000 0.000 0.211 1219 K C 1.570 178.224 176.600 0.090 0.000 1.049 1219 K CA 1.958 58.321 56.287 0.127 0.000 0.927 1219 K CB -0.572 31.990 32.500 0.102 0.000 0.714 1219 K HN 0.224 nan 8.250 nan 0.000 0.452 1220 D N 0.829 121.297 120.400 0.113 0.000 2.126 1220 D HA -0.172 4.468 4.640 0.000 0.000 0.190 1220 D C 1.394 177.761 176.300 0.112 0.000 1.001 1220 D CA 1.685 55.768 54.000 0.138 0.000 0.841 1220 D CB -0.277 40.630 40.800 0.178 0.000 0.949 1220 D HN 0.305 nan 8.370 nan 0.000 0.446 1221 A N -0.349 122.405 122.820 -0.110 0.000 2.346 1221 A HA 0.194 4.514 4.320 0.000 0.000 0.242 1221 A C 1.662 178.926 177.584 -0.532 0.000 1.323 1221 A CA 0.083 51.825 52.037 -0.492 0.000 0.940 1221 A CB -0.650 17.713 19.000 -1.062 0.000 0.943 1221 A HN 0.201 nan 8.150 nan 0.000 0.501 1222 L N -1.912 119.202 121.223 -0.181 0.000 2.500 1222 L HA 0.083 4.423 4.340 0.000 0.000 0.219 1222 L C 1.360 178.220 176.870 -0.016 0.000 1.057 1222 L CA 0.181 54.977 54.840 -0.073 0.000 0.854 1222 L CB -0.036 42.040 42.059 0.029 0.000 1.078 1222 L HN 0.227 nan 8.230 nan 0.000 0.480 1223 D N -0.165 120.188 120.400 -0.079 0.000 2.178 1223 D HA -0.104 4.536 4.640 0.000 0.000 0.202 1223 D C 0.557 176.667 176.300 -0.316 0.000 0.974 1223 D CA 1.206 55.077 54.000 -0.215 0.000 0.841 1223 D CB 0.080 40.669 40.800 -0.351 0.000 0.953 1223 D HN 0.155 nan 8.370 nan 0.000 0.478 1227 K N 0.423 120.518 120.400 -0.508 0.000 2.665 1227 K HA 0.136 4.456 4.320 0.000 0.000 0.214 1227 K C 0.586 177.037 176.600 -0.249 0.000 1.032 1227 K CA 0.517 56.348 56.287 -0.761 0.000 1.198 1227 K CB 0.219 32.365 32.500 -0.589 0.000 0.941 1227 K HN 0.327 nan 8.250 nan 0.000 0.491 1228 T N -1.202 113.285 114.554 -0.111 0.000 3.250 1228 T HA -0.038 4.312 4.350 0.000 0.000 0.265 1228 T C 0.384 175.123 174.700 0.065 0.000 0.973 1228 T CA -0.171 61.929 62.100 -0.000 0.000 1.040 1228 T CB 0.277 69.136 68.868 -0.014 0.000 1.167 1228 T HN 0.325 nan 8.240 nan 0.000 0.471 1229 S N 2.823 118.563 115.700 0.066 0.000 2.558 1229 S HA 0.027 4.497 4.470 0.000 0.000 0.293 1229 S C 1.697 176.394 174.600 0.161 0.000 1.292 1229 S CA 0.279 58.541 58.200 0.105 0.000 1.063 1229 S CB 0.762 64.024 63.200 0.104 0.000 0.831 1229 S HN 0.508 nan 8.310 nan 0.000 0.499 1230 S N 1.875 117.662 115.700 0.145 0.000 2.407 1230 S HA -0.244 4.226 4.470 0.000 0.000 0.235 1230 S C 1.079 175.803 174.600 0.207 0.000 1.036 1230 S CA 1.593 59.889 58.200 0.160 0.000 1.013 1230 S CB -0.808 62.465 63.200 0.121 0.000 0.820 1230 S HN 0.806 nan 8.310 nan 0.000 0.476 1231 D N 0.651 121.193 120.400 0.238 0.000 2.104 1231 D HA -0.096 4.544 4.640 0.000 0.000 0.194 1231 D C 1.549 178.102 176.300 0.421 0.000 0.994 1231 D CA 1.352 55.559 54.000 0.345 0.000 0.830 1231 D CB -0.665 40.365 40.800 0.384 0.000 0.959 1231 D HN 0.568 nan 8.370 nan 0.000 0.452 1232 Y N 1.689 122.112 120.300 0.206 0.000 2.228 1232 Y HA -0.291 4.259 4.550 0.000 0.000 0.285 1232 Y C 1.802 177.810 175.900 0.180 0.000 1.178 1232 Y CA 1.601 59.798 58.100 0.162 0.000 1.202 1232 Y CB -0.182 38.329 38.460 0.085 0.000 0.974 1232 Y HN 0.009 nan 8.280 nan 0.000 0.527 1233 N N 0.162 119.016 118.700 0.256 0.000 2.080 1233 N HA -0.184 4.556 4.740 0.000 0.000 0.189 1233 N C 1.929 177.470 175.510 0.052 0.000 1.036 1233 N CA 1.481 54.662 53.050 0.219 0.000 0.846 1233 N CB -0.875 37.832 38.487 0.366 0.000 1.015 1233 N HN 0.418 nan 8.380 nan 0.000 0.423 1234 L N 0.116 121.389 121.223 0.084 0.000 2.043 1234 L HA -0.130 4.211 4.340 0.000 0.000 0.212 1234 L C 1.924 178.702 176.870 -0.153 0.000 1.075 1234 L CA 1.644 56.441 54.840 -0.072 0.000 0.752 1234 L CB -0.573 41.397 42.059 -0.148 0.000 0.891 1234 L HN 0.185 nan 8.230 nan 0.000 0.432 1235 W N -0.123 121.113 121.300 -0.106 0.000 2.452 1235 W HA -0.062 4.598 4.660 0.000 0.000 0.313 1235 W C 2.727 179.064 176.519 -0.304 0.000 1.176 1235 W CA 1.248 58.544 57.345 -0.082 0.000 1.350 1235 W CB -0.555 28.883 29.460 -0.036 0.000 1.148 1235 W HN -0.038 nan 8.180 nan 0.000 0.498 1236 K N 0.718 120.965 120.400 -0.255 0.000 2.160 1236 K HA -0.224 4.096 4.320 0.000 0.000 0.206 1236 K C 1.852 178.114 176.600 -0.563 0.000 1.047 1236 K CA 1.489 57.493 56.287 -0.471 0.000 0.930 1236 K CB -0.800 31.244 32.500 -0.759 0.000 0.720 1236 K HN 0.106 nan 8.250 nan 0.000 0.450 1237 L N 0.154 120.939 121.223 -0.729 0.000 2.027 1237 L HA -0.064 4.276 4.340 0.000 0.000 0.206 1237 L C 1.777 178.270 176.870 -0.628 0.000 1.074 1237 L CA 1.979 56.270 54.840 -0.914 0.000 0.745 1237 L CB -0.963 40.463 42.059 -1.055 0.000 0.898 1237 L HN 0.165 nan 8.230 nan 0.000 0.433 1238 S N -1.066 114.315 115.700 -0.532 0.000 2.419 1238 S HA -0.194 4.276 4.470 0.000 0.000 0.235 1238 S C 2.035 176.289 174.600 -0.577 0.000 1.019 1238 S CA 1.361 59.197 58.200 -0.606 0.000 0.982 1238 S CB -0.571 61.983 63.200 -1.077 0.000 0.789 1238 S HN 0.627 nan 8.310 nan 0.000 0.490 1239 S N 0.191 115.660 115.700 -0.384 0.000 2.561 1239 S HA 0.205 4.675 4.470 0.000 0.000 0.225 1239 S C 1.337 175.860 174.600 -0.129 0.000 0.977 1239 S CA 0.267 58.401 58.200 -0.110 0.000 0.926 1239 S CB -0.232 62.959 63.200 -0.015 0.000 0.769 1239 S HN 0.497 nan 8.310 nan 0.000 0.533 1240 I N -0.194 120.218 120.570 -0.262 0.000 4.032 1240 I HA 0.119 4.289 4.170 0.000 0.000 0.313 1240 I C 1.584 177.542 176.117 -0.264 0.000 1.272 1240 I CA 0.239 61.400 61.300 -0.233 0.000 1.307 1240 I CB 0.055 37.882 38.000 -0.289 0.000 1.155 1240 I HN 0.237 nan 8.210 nan 0.000 0.431 1241 L N 0.093 121.071 121.223 -0.408 0.000 2.056 1241 L HA -0.003 4.337 4.340 0.000 0.000 0.202 1241 L C 2.040 178.769 176.870 -0.234 0.000 1.086 1241 L CA 1.574 56.081 54.840 -0.554 0.000 0.758 1241 L CB -0.446 40.978 42.059 -1.059 0.000 0.912 1241 L HN 0.066 nan 8.230 nan 0.000 0.446 1242 F N -0.992 118.959 119.950 0.001 0.000 2.743 1242 F HA 0.035 4.562 4.527 0.000 0.000 0.297 1242 F C 0.448 176.314 175.800 0.110 0.000 1.131 1242 F CA -0.358 57.694 58.000 0.088 0.000 1.426 1242 F CB -0.077 38.960 39.000 0.061 0.000 1.116 1242 F HN -0.017 nan 8.300 nan 0.000 0.583 1243 D N 3.046 123.579 120.400 0.222 0.000 2.371 1243 D HA 0.082 4.722 4.640 0.000 0.000 0.256 1243 D C -2.133 174.252 176.300 0.142 0.000 1.193 1243 D CA -1.919 52.206 54.000 0.209 0.000 0.881 1243 D CB 0.469 41.379 40.800 0.182 0.000 1.143 1243 D HN -0.035 nan 8.370 nan 0.000 0.473 1244 P HA -0.059 nan 4.420 nan 0.000 0.257 1244 P C -0.039 177.317 177.300 0.093 0.000 1.269 1244 P CA -0.125 63.041 63.100 0.110 0.000 1.122 1244 P CB 0.008 31.770 31.700 0.103 0.000 1.285 1245 V N 3.341 123.307 119.914 0.087 0.000 3.061 1245 V HA 0.030 4.151 4.120 0.000 0.000 0.306 1245 V C 1.148 177.300 176.094 0.096 0.000 1.118 1245 V CA 0.716 63.068 62.300 0.087 0.000 1.231 1245 V CB 0.169 32.045 31.823 0.088 0.000 0.956 1245 V HN 0.722 nan 8.190 nan 0.000 0.499 1246 S N 3.189 118.950 115.700 0.102 0.000 2.538 1246 S HA 0.617 5.088 4.470 0.000 0.000 0.288 1246 S C -1.244 173.447 174.600 0.152 0.000 1.108 1246 S CA -0.760 57.507 58.200 0.112 0.000 0.971 1246 S CB 1.344 64.589 63.200 0.075 0.000 1.041 1246 S HN 0.565 nan 8.310 nan 0.000 0.483 1247 Y N 3.468 123.790 120.300 0.036 0.000 2.342 1247 Y HA 0.459 5.010 4.550 0.000 0.000 0.338 1247 Y C -1.792 174.137 175.900 0.048 0.000 0.965 1247 Y CA -1.696 56.430 58.100 0.044 0.000 1.159 1247 Y CB 0.960 39.446 38.460 0.043 0.000 1.157 1247 Y HN 0.591 nan 8.280 nan 0.000 0.486 1248 P HA -0.271 nan 4.420 nan 0.000 0.212 1248 P C -0.617 176.645 177.300 -0.063 0.000 1.174 1248 P CA 1.526 64.514 63.100 -0.187 0.000 0.934 1248 P CB -0.158 31.391 31.700 -0.252 0.000 0.791 1249 Y N 1.408 121.568 120.300 -0.233 0.000 2.504 1249 Y HA 0.181 4.731 4.550 0.000 0.000 0.351 1249 Y C 0.592 176.625 175.900 0.222 0.000 0.988 1249 Y CA -0.852 57.256 58.100 0.013 0.000 1.239 1249 Y CB -0.128 38.343 38.460 0.018 0.000 1.128 1249 Y HN -0.157 nan 8.280 nan 0.000 0.525 1250 K N 3.504 123.705 120.400 -0.332 0.000 2.455 1250 K HA 0.155 4.475 4.320 0.000 0.000 0.269 1250 K C -0.255 176.131 176.600 -0.356 0.000 0.972 1250 K CA 0.501 56.637 56.287 -0.251 0.000 0.938 1250 K CB 0.303 32.664 32.500 -0.233 0.000 0.931 1250 K HN 0.607 nan 8.250 nan 0.000 0.507 1251 T N 0.664 115.141 114.554 -0.128 0.000 2.883 1251 T HA 0.084 4.434 4.350 0.000 0.000 0.296 1251 T C 0.084 174.762 174.700 -0.037 0.000 1.117 1251 T CA -0.877 61.196 62.100 -0.046 0.000 1.006 1251 T CB 1.558 70.436 68.868 0.017 0.000 1.191 1251 T HN 0.526 nan 8.240 nan 0.000 0.508 1252 D N 1.270 121.668 120.400 -0.003 0.000 2.160 1252 D HA -0.100 4.540 4.640 0.000 0.000 0.189 1252 D C 0.670 176.963 176.300 -0.012 0.000 1.003 1252 D CA 1.667 55.665 54.000 -0.003 0.000 0.846 1252 D CB -0.085 40.723 40.800 0.014 0.000 0.949 1252 D HN 0.286 nan 8.370 nan 0.000 0.446 1253 N N 0.425 119.117 118.700 -0.014 0.000 2.477 1253 N HA 0.083 4.823 4.740 0.000 0.000 0.284 1253 N C 0.296 175.792 175.510 -0.023 0.000 1.182 1253 N CA -0.369 52.671 53.050 -0.016 0.000 0.949 1253 N CB 1.359 39.838 38.487 -0.014 0.000 1.204 1253 N HN -0.128 nan 8.380 nan 0.000 0.526 1254 D N 0.349 120.737 120.400 -0.020 0.000 2.323 1254 D HA -0.013 4.627 4.640 0.000 0.000 0.209 1254 D C 1.170 177.456 176.300 -0.024 0.000 0.973 1254 D CA 0.881 54.869 54.000 -0.021 0.000 0.874 1254 D CB 0.333 41.124 40.800 -0.014 0.000 0.930 1254 D HN 0.503 nan 8.370 nan 0.000 0.521 1255 Q N 0.034 119.820 119.800 -0.024 0.000 2.187 1255 Q HA -0.020 4.321 4.340 0.000 0.000 0.199 1255 Q C 2.176 178.153 176.000 -0.039 0.000 0.957 1255 Q CA 0.605 56.393 55.803 -0.026 0.000 0.857 1255 Q CB 0.418 29.144 28.738 -0.020 0.000 0.929 1255 Q HN 0.148 nan 8.270 nan 0.000 0.453 1256 V N 1.172 121.059 119.914 -0.045 0.000 2.453 1256 V HA -0.154 3.967 4.120 0.000 0.000 0.247 1256 V C 1.166 177.191 176.094 -0.115 0.000 1.048 1256 V CA 1.295 63.554 62.300 -0.068 0.000 1.049 1256 V CB -0.418 31.375 31.823 -0.051 0.000 0.672 1256 V HN 0.230 nan 8.190 nan 0.000 0.457 1260 L N 0.435 121.574 121.223 -0.140 0.000 2.072 1260 L HA -0.023 4.317 4.340 0.000 0.000 0.205 1260 L C 2.401 179.209 176.870 -0.105 0.000 1.079 1260 L CA 1.527 56.243 54.840 -0.207 0.000 0.752 1260 L CB -0.319 41.415 42.059 -0.543 0.000 0.906 1260 L HN 0.466 nan 8.230 nan 0.000 0.436 1261 L N -0.051 121.128 121.223 -0.073 0.000 2.046 1261 L HA -0.223 4.117 4.340 0.000 0.000 0.208 1261 L C 2.632 179.527 176.870 0.042 0.000 1.077 1261 L CA 1.170 56.024 54.840 0.022 0.000 0.747 1261 L CB -0.510 41.568 42.059 0.033 0.000 0.896 1261 L HN 0.245 nan 8.230 nan 0.000 0.432 1262 K N 0.742 121.156 120.400 0.025 0.000 2.152 1262 K HA -0.247 4.074 4.320 0.000 0.000 0.206 1262 K C 2.003 178.647 176.600 0.072 0.000 1.048 1262 K CA 1.651 57.969 56.287 0.051 0.000 0.933 1262 K CB -0.056 32.463 32.500 0.031 0.000 0.721 1262 K HN -0.054 nan 8.250 nan 0.000 0.447 1263 K N 0.698 121.120 120.400 0.036 0.000 2.078 1263 K HA 0.004 4.324 4.320 0.000 0.000 0.203 1263 K C 2.031 178.686 176.600 0.092 0.000 1.043 1263 K CA 1.428 57.735 56.287 0.033 0.000 0.960 1263 K CB -0.384 32.105 32.500 -0.018 0.000 0.761 1263 K HN 0.228 nan 8.250 nan 0.000 0.448 1264 E N 0.758 121.011 120.200 0.089 0.000 2.160 1264 E HA -0.190 4.160 4.350 0.000 0.000 0.195 1264 E C 1.990 178.650 176.600 0.100 0.000 0.991 1264 E CA 1.458 57.923 56.400 0.109 0.000 0.810 1264 E CB -0.097 29.690 29.700 0.145 0.000 0.742 1264 E HN 0.279 nan 8.360 nan 0.000 0.466 1265 R N -0.805 119.753 120.500 0.097 0.000 2.090 1265 R HA -0.150 4.190 4.340 0.000 0.000 0.228 1265 R C 2.459 178.798 176.300 0.065 0.000 1.110 1265 R CA 1.303 57.443 56.100 0.065 0.000 0.973 1265 R CB -0.473 29.866 30.300 0.065 0.000 0.869 1265 R HN 0.367 nan 8.270 nan 0.000 0.440 1266 H N 0.406 119.485 119.070 0.015 0.000 2.353 1266 H HA -0.122 4.434 4.556 0.000 0.000 0.300 1266 H C 1.730 177.061 175.328 0.004 0.000 1.090 1266 H CA 2.050 58.104 56.048 0.010 0.000 1.327 1266 H CB -0.207 29.564 29.762 0.016 0.000 1.383 1266 H HN 0.345 nan 8.280 nan 0.000 0.508 1267 C N 1.186 120.617 119.300 0.217 0.000 2.457 1267 C HA 0.021 4.481 4.460 0.000 0.000 0.278 1267 C C 2.937 177.966 174.990 0.064 0.000 1.309 1267 C CA 0.090 59.196 59.018 0.147 0.000 1.735 1267 C CB -0.589 27.222 27.740 0.118 0.000 1.992 1267 C HN 0.501 nan 8.230 nan 0.000 0.493 1268 R N 0.793 121.321 120.500 0.047 0.000 2.073 1268 R HA -0.072 4.268 4.340 0.000 0.000 0.234 1268 R C 2.170 178.491 176.300 0.035 0.000 1.134 1268 R CA 1.082 57.200 56.100 0.031 0.000 0.952 1268 R CB -1.190 29.110 30.300 -0.000 0.000 0.850 1268 R HN 0.588 nan 8.270 nan 0.000 0.433 1269 L N 1.008 122.219 121.223 -0.021 0.000 1.989 1269 L HA -0.212 4.128 4.340 0.000 0.000 0.211 1269 L C 2.455 179.376 176.870 0.085 0.000 1.071 1269 L CA 2.335 57.176 54.840 0.002 0.000 0.749 1269 L CB -0.596 41.386 42.059 -0.128 0.000 0.890 1269 L HN 0.328 nan 8.230 nan 0.000 0.431 1270 T N -4.662 109.869 114.554 -0.039 0.000 2.904 1270 T HA -0.107 4.243 4.350 0.000 0.000 0.267 1270 T C 1.863 176.560 174.700 -0.006 0.000 1.059 1270 T CA 1.284 63.352 62.100 -0.055 0.000 1.137 1270 T CB -0.439 68.365 68.868 -0.107 0.000 0.879 1270 T HN 0.288 nan 8.240 nan 0.000 0.467 1271 S N -0.023 115.701 115.700 0.039 0.000 2.507 1271 S HA 0.065 4.535 4.470 0.000 0.000 0.235 1271 S C 1.141 175.803 174.600 0.104 0.000 0.988 1271 S CA 0.568 58.798 58.200 0.051 0.000 0.944 1271 S CB -0.391 62.846 63.200 0.060 0.000 0.762 1271 S HN 0.797 nan 8.310 nan 0.000 0.526 1272 W N 1.735 123.002 121.300 -0.054 0.000 2.574 1272 W HA 0.249 4.909 4.660 0.000 0.000 0.282 1272 W C 1.325 177.810 176.519 -0.056 0.000 1.197 1272 W CA 0.147 57.464 57.345 -0.047 0.000 1.376 1272 W CB -0.369 29.059 29.460 -0.054 0.000 1.091 1272 W HN 0.101 nan 8.180 nan 0.000 0.569 1273 I N 0.909 121.336 120.570 -0.240 0.000 2.502 1273 I HA -0.317 3.853 4.170 0.000 0.000 0.258 1273 I C 1.904 177.777 176.117 -0.407 0.000 1.172 1273 I CA 1.111 62.119 61.300 -0.486 0.000 1.430 1273 I CB -0.898 36.941 38.000 -0.267 0.000 1.086 1273 I HN -0.113 nan 8.210 nan 0.000 0.440 1274 V N 0.162 119.923 119.914 -0.255 0.000 2.283 1274 V HA -0.227 3.893 4.120 0.000 0.000 0.243 1274 V C 2.498 178.464 176.094 -0.214 0.000 1.039 1274 V CA 2.049 64.232 62.300 -0.195 0.000 1.016 1274 V CB -0.491 31.266 31.823 -0.109 0.000 0.650 1274 V HN 0.369 nan 8.190 nan 0.000 0.449 1275 S N -0.463 115.114 115.700 -0.204 0.000 2.387 1275 S HA -0.247 4.223 4.470 0.000 0.000 0.230 1275 S C 1.950 176.413 174.600 -0.228 0.000 1.035 1275 S CA 1.428 59.536 58.200 -0.154 0.000 1.014 1275 S CB -0.253 62.925 63.200 -0.036 0.000 0.836 1275 S HN 0.592 nan 8.310 nan 0.000 0.466 1276 Q N 0.584 120.125 119.800 -0.431 0.000 2.084 1276 Q HA 0.229 4.569 4.340 0.000 0.000 0.194 1276 Q C 2.258 178.078 176.000 -0.300 0.000 0.969 1276 Q CA 0.688 56.248 55.803 -0.405 0.000 0.829 1276 Q CB -0.584 27.741 28.738 -0.688 0.000 0.904 1276 Q HN 0.502 nan 8.270 nan 0.000 0.464 1277 I N 1.535 121.902 120.570 -0.337 0.000 2.657 1277 I HA -0.200 3.970 4.170 0.000 0.000 0.261 1277 I C 2.127 178.140 176.117 -0.172 0.000 1.212 1277 I CA 0.748 61.903 61.300 -0.242 0.000 1.453 1277 I CB -0.816 37.037 38.000 -0.245 0.000 1.092 1277 I HN 0.218 nan 8.210 nan 0.000 0.452 1278 G N 2.914 111.610 108.800 -0.173 0.000 2.839 1278 G HA2 -0.280 3.680 3.960 0.000 0.000 0.221 1278 G HA3 -0.280 3.680 3.960 0.000 0.000 0.221 1278 G C -0.308 174.529 174.900 -0.106 0.000 1.271 1278 G CA 1.364 46.385 45.100 -0.133 0.000 0.789 1278 G HN 0.300 nan 8.290 nan 0.000 0.659 1279 P HA -0.095 nan 4.420 nan 0.000 0.218 1279 P C 1.505 178.768 177.300 -0.062 0.000 1.148 1279 P CA 1.772 64.833 63.100 -0.065 0.000 0.822 1279 P CB -0.099 31.569 31.700 -0.054 0.000 0.784 1280 E N -0.245 119.912 120.200 -0.072 0.000 2.031 1280 E HA -0.163 4.187 4.350 0.000 0.000 0.193 1280 E C 1.934 178.515 176.600 -0.032 0.000 0.994 1280 E CA 1.149 57.515 56.400 -0.057 0.000 0.800 1280 E CB -0.200 29.460 29.700 -0.067 0.000 0.752 1280 E HN 0.021 nan 8.360 nan 0.000 0.447 1281 I N 1.296 121.848 120.570 -0.030 0.000 2.400 1281 I HA -0.130 4.040 4.170 0.000 0.000 0.248 1281 I C 2.187 178.284 176.117 -0.034 0.000 1.109 1281 I CA 1.060 62.361 61.300 0.002 0.000 1.425 1281 I CB -1.113 36.871 38.000 -0.027 0.000 1.094 1281 I HN 0.208 nan 8.210 nan 0.000 0.425 1282 E N 0.463 120.617 120.200 -0.076 0.000 2.171 1282 E HA -0.255 4.095 4.350 0.000 0.000 0.197 1282 E C 1.895 178.476 176.600 -0.031 0.000 0.997 1282 E CA 1.012 57.365 56.400 -0.077 0.000 0.810 1282 E CB -0.006 29.645 29.700 -0.081 0.000 0.738 1282 E HN 0.394 nan 8.360 nan 0.000 0.467 1283 E N 0.854 121.038 120.200 -0.026 0.000 2.385 1283 E HA -0.090 4.260 4.350 0.000 0.000 0.194 1283 E C 1.503 178.099 176.600 -0.008 0.000 1.013 1283 E CA 0.366 56.757 56.400 -0.016 0.000 0.866 1283 E CB 0.229 29.915 29.700 -0.024 0.000 0.832 1283 E HN 0.017 nan 8.360 nan 0.000 0.500 1284 K N 0.288 120.687 120.400 -0.002 0.000 2.404 1284 K HA 0.152 4.472 4.320 0.000 0.000 0.194 1284 K C 1.565 178.200 176.600 0.057 0.000 1.023 1284 K CA 0.047 56.340 56.287 0.011 0.000 1.094 1284 K CB 0.266 32.765 32.500 -0.001 0.000 0.841 1284 K HN 0.077 nan 8.250 nan 0.000 0.523 1285 I N 0.035 120.641 120.570 0.060 0.000 3.462 1285 I HA -0.030 4.140 4.170 0.000 0.000 0.290 1285 I C 1.694 177.862 176.117 0.085 0.000 1.236 1285 I CA 0.042 61.404 61.300 0.103 0.000 1.418 1285 I CB 0.138 38.217 38.000 0.132 0.000 1.102 1285 I HN 0.090 nan 8.210 nan 0.000 0.441 1286 R N 0.992 121.523 120.500 0.052 0.000 2.066 1286 R HA -0.031 4.309 4.340 0.000 0.000 0.232 1286 R C 0.443 176.762 176.300 0.033 0.000 1.131 1286 R CA 0.878 57.002 56.100 0.039 0.000 0.955 1286 R CB -0.502 29.811 30.300 0.022 0.000 0.851 1286 R HN 0.234 nan 8.270 nan 0.000 0.432 1287 N N 1.979 120.694 118.700 0.025 0.000 2.971 1287 N HA 0.019 4.759 4.740 0.000 0.000 0.294 1287 N C -1.010 174.518 175.510 0.029 0.000 1.210 1287 N CA 0.282 53.343 53.050 0.017 0.000 1.157 1287 N CB 0.655 39.143 38.487 0.001 0.000 1.450 1287 N HN 0.202 nan 8.380 nan 0.000 0.527 1288 S N -1.645 114.076 115.700 0.035 0.000 2.605 1288 S HA 0.302 4.772 4.470 0.000 0.000 0.279 1288 S C -0.227 174.393 174.600 0.034 0.000 1.166 1288 S CA -0.870 57.356 58.200 0.043 0.000 0.975 1288 S CB 0.828 64.070 63.200 0.071 0.000 1.111 1288 S HN 0.018 nan 8.310 nan 0.000 0.465 1289 S N 2.111 117.825 115.700 0.024 0.000 2.588 1289 S HA 0.332 4.802 4.470 0.000 0.000 0.245 1289 S C -0.013 174.596 174.600 0.016 0.000 1.021 1289 S CA -0.503 57.707 58.200 0.017 0.000 1.006 1289 S CB -0.410 62.796 63.200 0.010 0.000 0.830 1289 S HN 0.717 nan 8.310 nan 0.000 0.468 1290 N N 1.782 120.497 118.700 0.025 0.000 2.626 1290 N HA 0.233 4.973 4.740 0.000 0.000 0.249 1290 N C 0.479 176.008 175.510 0.031 0.000 1.021 1290 N CA -0.337 52.726 53.050 0.023 0.000 0.886 1290 N CB 0.877 39.377 38.487 0.023 0.000 1.149 1290 N HN 0.096 nan 8.380 nan 0.000 0.517 1291 E N 1.944 122.155 120.200 0.018 0.000 2.209 1291 E HA -0.157 4.193 4.350 0.000 0.000 0.196 1291 E C 1.163 177.775 176.600 0.021 0.000 0.993 1291 E CA 1.190 57.597 56.400 0.012 0.000 0.819 1291 E CB 0.191 29.889 29.700 -0.004 0.000 0.745 1291 E HN 0.676 nan 8.360 nan 0.000 0.477 1292 I N 0.828 121.413 120.570 0.026 0.000 2.286 1292 I HA -0.203 3.968 4.170 0.000 0.000 0.245 1292 I C 2.622 178.788 176.117 0.082 0.000 1.104 1292 I CA 0.985 62.309 61.300 0.040 0.000 1.397 1292 I CB -0.305 37.708 38.000 0.021 0.000 1.072 1292 I HN 0.064 nan 8.210 nan 0.000 0.417 1293 E N 1.272 121.522 120.200 0.084 0.000 2.153 1293 E HA -0.261 4.089 4.350 0.000 0.000 0.194 1293 E C 2.121 178.838 176.600 0.194 0.000 0.988 1293 E CA 1.118 57.603 56.400 0.141 0.000 0.811 1293 E CB 0.019 29.784 29.700 0.109 0.000 0.746 1293 E HN 0.555 nan 8.360 nan 0.000 0.466 1294 Q N -0.037 119.848 119.800 0.141 0.000 2.291 1294 Q HA -0.129 4.211 4.340 0.000 0.000 0.206 1294 Q C 2.138 178.247 176.000 0.182 0.000 0.976 1294 Q CA 0.832 56.734 55.803 0.164 0.000 0.875 1294 Q CB 0.102 28.889 28.738 0.080 0.000 0.927 1294 Q HN 0.451 nan 8.270 nan 0.000 0.450 1295 I N -0.568 120.080 120.570 0.131 0.000 2.206 1295 I HA -0.215 3.955 4.170 0.000 0.000 0.239 1295 I C 2.049 178.271 176.117 0.174 0.000 1.078 1295 I CA 0.697 62.068 61.300 0.117 0.000 1.367 1295 I CB -0.340 37.706 38.000 0.076 0.000 1.078 1295 I HN 0.154 nan 8.210 nan 0.000 0.413 1296 F N 1.929 121.906 119.950 0.045 0.000 2.184 1296 F HA -0.255 4.272 4.527 0.000 0.000 0.301 1296 F C 2.147 177.954 175.800 0.012 0.000 1.076 1296 F CA 1.655 59.657 58.000 0.003 0.000 1.295 1296 F CB -0.144 38.850 39.000 -0.009 0.000 1.026 1296 F HN -0.057 nan 8.300 nan 0.000 0.494 1297 L N -1.606 119.707 121.223 0.148 0.000 2.068 1297 L HA -0.207 4.134 4.340 0.000 0.000 0.204 1297 L C 2.132 179.003 176.870 0.002 0.000 1.076 1297 L CA 1.054 55.936 54.840 0.070 0.000 0.753 1297 L CB -1.073 41.120 42.059 0.224 0.000 0.910 1297 L HN 0.060 nan 8.230 nan 0.000 0.439 1298 Y N 0.341 120.620 120.300 -0.035 0.000 2.483 1298 Y HA -0.159 4.391 4.550 0.000 0.000 0.291 1298 Y C 2.264 178.127 175.900 -0.063 0.000 1.143 1298 Y CA 1.011 59.090 58.100 -0.034 0.000 1.289 1298 Y CB -0.204 38.253 38.460 -0.005 0.000 0.983 1298 Y HN 0.127 nan 8.280 nan 0.000 0.556 1299 L N -1.236 119.979 121.223 -0.013 0.000 2.375 1299 L HA -0.078 4.262 4.340 0.000 0.000 0.215 1299 L C 1.585 178.393 176.870 -0.103 0.000 1.108 1299 L CA 0.394 55.194 54.840 -0.067 0.000 0.830 1299 L CB -0.210 41.718 42.059 -0.219 0.000 0.959 1299 L HN 0.206 nan 8.230 nan 0.000 0.457 1300 L N -0.121 120.959 121.223 -0.238 0.000 2.610 1300 L HA -0.049 4.291 4.340 0.000 0.000 0.232 1300 L C 1.546 178.337 176.870 -0.131 0.000 1.149 1300 L CA 0.408 55.117 54.840 -0.219 0.000 0.872 1300 L CB -0.003 41.861 42.059 -0.325 0.000 0.992 1300 L HN 0.316 nan 8.230 nan 0.000 0.447 1301 L N -0.839 120.320 121.223 -0.108 0.000 2.769 1301 L HA 0.171 4.512 4.340 0.000 0.000 0.240 1301 L C 0.590 177.429 176.870 -0.051 0.000 1.163 1301 L CA -0.165 54.608 54.840 -0.111 0.000 0.962 1301 L CB -0.184 41.767 42.059 -0.181 0.000 1.258 1301 L HN 0.264 nan 8.230 nan 0.000 0.513 1302 N N 1.222 119.926 118.700 0.006 0.000 2.708 1302 N HA -0.232 4.508 4.740 0.000 0.000 0.251 1302 N C 0.088 175.620 175.510 0.036 0.000 1.123 1302 N CA 0.823 53.887 53.050 0.023 0.000 0.739 1302 N CB -0.964 37.496 38.487 -0.045 0.000 1.113 1302 N HN 0.336 nan 8.380 nan 0.000 0.561 1303 D N -0.151 120.285 120.400 0.059 0.000 2.772 1303 D HA 0.297 4.937 4.640 0.000 0.000 0.273 1303 D C 1.286 177.651 176.300 0.109 0.000 1.233 1303 D CA -0.361 53.685 54.000 0.078 0.000 0.984 1303 D CB 0.016 40.871 40.800 0.091 0.000 1.000 1303 D HN 0.041 nan 8.370 nan 0.000 0.514 1304 V N 1.404 121.374 119.914 0.093 0.000 2.324 1304 V HA -0.292 3.829 4.120 0.000 0.000 0.250 1304 V C 2.424 178.555 176.094 0.061 0.000 1.060 1304 V CA 1.473 63.825 62.300 0.086 0.000 1.042 1304 V CB -0.378 31.490 31.823 0.076 0.000 0.650 1304 V HN 0.369 nan 8.190 nan 0.000 0.450 1305 V N -0.121 119.824 119.914 0.051 0.000 2.215 1305 V HA -0.326 3.794 4.120 0.000 0.000 0.246 1305 V C 2.376 178.492 176.094 0.036 0.000 1.047 1305 V CA 2.372 64.693 62.300 0.035 0.000 0.999 1305 V CB -0.789 31.054 31.823 0.032 0.000 0.635 1305 V HN 0.427 nan 8.190 nan 0.000 0.450 1306 R N -0.339 120.203 120.500 0.069 0.000 2.377 1306 R HA -0.018 4.322 4.340 0.000 0.000 0.207 1306 R C 2.019 178.303 176.300 -0.027 0.000 1.075 1306 R CA 0.859 56.989 56.100 0.049 0.000 1.035 1306 R CB -0.349 30.053 30.300 0.171 0.000 0.857 1306 R HN 0.619 nan 8.270 nan 0.000 0.475 1307 A N -0.446 122.396 122.820 0.037 0.000 1.871 1307 A HA -0.041 4.279 4.320 0.000 0.000 0.211 1307 A C 2.068 179.641 177.584 -0.018 0.000 1.207 1307 A CA 0.916 52.961 52.037 0.013 0.000 0.620 1307 A CB -0.310 18.740 19.000 0.085 0.000 0.860 1307 A HN 0.221 nan 8.150 nan 0.000 0.450 1308 S N -0.326 115.376 115.700 0.002 0.000 2.368 1308 S HA -0.136 4.334 4.470 0.000 0.000 0.224 1308 S C 2.001 176.588 174.600 -0.020 0.000 1.029 1308 S CA 1.643 59.842 58.200 -0.001 0.000 0.988 1308 S CB -0.325 62.878 63.200 0.005 0.000 0.838 1308 S HN 0.523 nan 8.310 nan 0.000 0.462 1309 K N 0.368 120.751 120.400 -0.029 0.000 2.074 1309 K HA -0.142 4.178 4.320 0.000 0.000 0.209 1309 K C 2.007 178.572 176.600 -0.058 0.000 1.048 1309 K CA 1.517 57.781 56.287 -0.039 0.000 0.926 1309 K CB -0.371 32.106 32.500 -0.037 0.000 0.713 1309 K HN 0.289 nan 8.250 nan 0.000 0.444 1310 L N 0.826 121.994 121.223 -0.092 0.000 2.056 1310 L HA -0.089 4.251 4.340 0.000 0.000 0.207 1310 L C 2.230 179.059 176.870 -0.067 0.000 1.078 1310 L CA 1.527 56.297 54.840 -0.116 0.000 0.749 1310 L CB -0.556 41.374 42.059 -0.216 0.000 0.901 1310 L HN 0.130 nan 8.230 nan 0.000 0.433 1311 A N -0.184 122.610 122.820 -0.043 0.000 1.948 1311 A HA -0.246 4.074 4.320 0.000 0.000 0.220 1311 A C 2.230 179.806 177.584 -0.013 0.000 1.177 1311 A CA 2.360 54.389 52.037 -0.013 0.000 0.636 1311 A CB -0.918 18.088 19.000 0.010 0.000 0.815 1311 A HN 0.530 nan 8.150 nan 0.000 0.449 1312 I N -0.984 119.573 120.570 -0.022 0.000 2.233 1312 I HA -0.199 3.971 4.170 0.000 0.000 0.243 1312 I C 2.478 178.580 176.117 -0.025 0.000 1.093 1312 I CA 1.540 62.826 61.300 -0.024 0.000 1.380 1312 I CB -0.437 37.547 38.000 -0.026 0.000 1.067 1312 I HN 0.480 nan 8.210 nan 0.000 0.413 1313 E N 0.760 120.941 120.200 -0.031 0.000 2.401 1313 E HA -0.237 4.113 4.350 0.000 0.000 0.199 1313 E C 1.943 178.527 176.600 -0.026 0.000 1.023 1313 E CA 0.914 57.296 56.400 -0.031 0.000 0.859 1313 E CB 0.034 29.709 29.700 -0.040 0.000 0.780 1313 E HN 0.303 nan 8.360 nan 0.000 0.523 1314 S N -0.021 115.665 115.700 -0.024 0.000 2.607 1314 S HA -0.033 4.437 4.470 0.000 0.000 0.224 1314 S C 0.550 175.145 174.600 -0.009 0.000 0.969 1314 S CA 0.872 59.063 58.200 -0.016 0.000 0.927 1314 S CB -0.293 62.901 63.200 -0.010 0.000 0.772 1314 S HN 0.372 nan 8.310 nan 0.000 0.533 1315 K N -0.434 119.959 120.400 -0.011 0.000 3.547 1315 K HA -0.174 4.146 4.320 0.000 0.000 0.309 1315 K C -0.876 175.722 176.600 -0.003 0.000 1.324 1315 K CA 1.234 57.516 56.287 -0.009 0.000 0.988 1315 K CB -1.918 30.579 32.500 -0.006 0.000 1.261 1315 K HN 0.683 nan 8.250 nan 0.000 0.444 1316 N N -0.462 118.240 118.700 0.002 0.000 2.342 1316 N HA 0.478 5.218 4.740 0.000 0.000 0.293 1316 N C 0.648 176.161 175.510 0.004 0.000 1.026 1316 N CA -0.302 52.758 53.050 0.018 0.000 0.857 1316 N CB 2.025 40.537 38.487 0.043 0.000 1.256 1316 N HN 0.010 nan 8.380 nan 0.000 0.484 1317 G N 0.218 108.995 108.800 -0.039 0.000 2.556 1317 G HA2 -0.073 3.887 3.960 0.000 0.000 0.209 1317 G HA3 -0.073 3.887 3.960 0.000 0.000 0.209 1317 G C 0.771 175.629 174.900 -0.070 0.000 1.159 1317 G CA 0.113 45.151 45.100 -0.104 0.000 0.828 1317 G HN 0.659 nan 8.290 nan 0.000 0.553 1318 H N 0.247 119.350 119.070 0.054 0.000 2.289 1318 H HA -0.082 4.474 4.556 0.000 0.000 0.294 1318 H C 2.417 177.793 175.328 0.081 0.000 1.095 1318 H CA 1.680 57.771 56.048 0.072 0.000 1.256 1318 H CB -0.238 29.576 29.762 0.087 0.000 1.359 1318 H HN 0.238 nan 8.280 nan 0.000 0.487 1319 L N -0.259 121.094 121.223 0.216 0.000 2.079 1319 L HA -0.247 4.093 4.340 0.000 0.000 0.210 1319 L C 2.542 179.473 176.870 0.100 0.000 1.081 1319 L CA 1.448 56.382 54.840 0.157 0.000 0.752 1319 L CB -0.373 41.784 42.059 0.162 0.000 0.896 1319 L HN 0.277 nan 8.230 nan 0.000 0.433 1320 S N -1.184 114.562 115.700 0.076 0.000 2.402 1320 S HA -0.185 4.285 4.470 0.000 0.000 0.233 1320 S C 1.780 176.416 174.600 0.060 0.000 1.030 1320 S CA 1.667 59.895 58.200 0.046 0.000 1.003 1320 S CB -0.261 62.949 63.200 0.016 0.000 0.813 1320 S HN 0.368 nan 8.310 nan 0.000 0.477 1321 V N 1.521 121.492 119.914 0.095 0.000 2.488 1321 V HA 0.025 4.145 4.120 0.000 0.000 0.246 1321 V C 2.263 178.522 176.094 0.275 0.000 1.046 1321 V CA 1.259 63.647 62.300 0.147 0.000 1.053 1321 V CB -0.498 31.433 31.823 0.181 0.000 0.679 1321 V HN 0.478 nan 8.190 nan 0.000 0.458 1322 L N -0.635 120.719 121.223 0.218 0.000 2.291 1322 L HA -0.078 4.262 4.340 0.000 0.000 0.214 1322 L C 2.287 179.264 176.870 0.178 0.000 1.120 1322 L CA 1.336 56.299 54.840 0.204 0.000 0.799 1322 L CB -0.405 41.606 42.059 -0.079 0.000 0.925 1322 L HN 0.306 nan 8.230 nan 0.000 0.446 1323 I N -0.799 119.834 120.570 0.106 0.000 2.493 1323 I HA -0.261 3.909 4.170 0.000 0.000 0.254 1323 I C 2.549 178.711 176.117 0.074 0.000 1.160 1323 I CA 1.044 62.388 61.300 0.072 0.000 1.445 1323 I CB -0.030 37.999 38.000 0.049 0.000 1.086 1323 I HN 0.161 nan 8.210 nan 0.000 0.433 1324 S N -0.430 115.294 115.700 0.040 0.000 2.561 1324 S HA -0.053 4.417 4.470 0.000 0.000 0.225 1324 S C 1.011 175.507 174.600 -0.172 0.000 0.977 1324 S CA 0.346 58.495 58.200 -0.085 0.000 0.926 1324 S CB -0.187 62.908 63.200 -0.175 0.000 0.769 1324 S HN 0.402 nan 8.310 nan 0.000 0.533 1325 Y N 0.862 121.167 120.300 0.007 0.000 2.801 1325 Y HA 0.341 4.891 4.550 0.000 0.000 0.340 1325 Y C 0.909 176.827 175.900 0.031 0.000 1.088 1325 Y CA -0.396 57.709 58.100 0.008 0.000 1.444 1325 Y CB 0.156 38.608 38.460 -0.013 0.000 1.251 1325 Y HN 0.236 nan 8.280 nan 0.000 0.522 1326 L N -0.481 120.831 121.223 0.147 0.000 2.327 1326 L HA 0.278 4.618 4.340 0.000 0.000 0.192 1326 L C 2.460 179.435 176.870 0.174 0.000 1.158 1326 L CA 1.686 56.649 54.840 0.204 0.000 0.813 1326 L CB -1.154 41.055 42.059 0.250 0.000 1.021 1326 L HN 0.319 nan 8.230 nan 0.000 0.481 1327 G N -0.606 108.245 108.800 0.086 0.000 2.574 1327 G HA2 -0.265 3.695 3.960 0.000 0.000 0.220 1327 G HA3 -0.265 3.695 3.960 0.000 0.000 0.220 1327 G C 0.761 175.663 174.900 0.004 0.000 1.173 1327 G CA 1.062 46.158 45.100 -0.005 0.000 0.772 1327 G HN 0.449 nan 8.290 nan 0.000 0.585 1328 S N 0.584 116.298 115.700 0.024 0.000 2.560 1328 S HA 0.113 4.583 4.470 0.000 0.000 0.284 1328 S C 0.659 175.292 174.600 0.055 0.000 1.327 1328 S CA -0.367 57.850 58.200 0.027 0.000 1.055 1328 S CB 1.033 64.254 63.200 0.035 0.000 0.868 1328 S HN 0.386 nan 8.310 nan 0.000 0.506 1329 N N 1.861 120.587 118.700 0.043 0.000 2.558 1329 N HA 0.018 4.758 4.740 0.000 0.000 0.281 1329 N C -0.664 174.882 175.510 0.059 0.000 1.219 1329 N CA -0.217 52.867 53.050 0.058 0.000 0.942 1329 N CB 0.006 38.523 38.487 0.050 0.000 1.241 1329 N HN 0.649 nan 8.380 nan 0.000 0.511 1330 D N 1.014 121.454 120.400 0.066 0.000 2.520 1330 D HA -0.016 4.624 4.640 0.000 0.000 0.243 1330 D C -1.479 174.851 176.300 0.050 0.000 1.160 1330 D CA -1.092 52.945 54.000 0.061 0.000 0.877 1330 D CB 1.233 42.083 40.800 0.083 0.000 1.150 1330 D HN 0.180 nan 8.370 nan 0.000 0.494 1331 P HA -0.179 nan 4.420 nan 0.000 0.215 1331 P C 1.226 178.540 177.300 0.024 0.000 1.157 1331 P CA 1.444 64.566 63.100 0.038 0.000 0.868 1331 P CB -0.109 31.613 31.700 0.036 0.000 0.788 1332 R N -0.221 120.289 120.500 0.016 0.000 2.193 1332 R HA -0.057 4.283 4.340 0.000 0.000 0.229 1332 R C 1.935 178.223 176.300 -0.019 0.000 1.110 1332 R CA 1.351 57.450 56.100 -0.001 0.000 0.988 1332 R CB -1.266 29.033 30.300 -0.002 0.000 0.871 1332 R HN 0.228 nan 8.270 nan 0.000 0.458 1333 I N 0.823 121.384 120.570 -0.016 0.000 2.494 1333 I HA -0.074 4.096 4.170 0.000 0.000 0.250 1333 I C 2.179 178.282 176.117 -0.024 0.000 1.112 1333 I CA 0.628 61.900 61.300 -0.047 0.000 1.438 1333 I CB -0.016 37.958 38.000 -0.044 0.000 1.111 1333 I HN 0.157 nan 8.210 nan 0.000 0.431 1334 R N 0.663 121.169 120.500 0.009 0.000 2.152 1334 R HA -0.168 4.172 4.340 0.000 0.000 0.232 1334 R C 1.631 177.942 176.300 0.019 0.000 1.117 1334 R CA 1.408 57.523 56.100 0.025 0.000 0.981 1334 R CB -0.307 30.019 30.300 0.044 0.000 0.870 1334 R HN 0.304 nan 8.270 nan 0.000 0.451 1335 D N 0.604 121.010 120.400 0.009 0.000 2.084 1335 D HA -0.089 4.551 4.640 0.000 0.000 0.196 1335 D C 1.878 178.173 176.300 -0.008 0.000 0.985 1335 D CA 1.016 55.019 54.000 0.005 0.000 0.826 1335 D CB -0.152 40.648 40.800 0.000 0.000 0.978 1335 D HN 0.080 nan 8.370 nan 0.000 0.456 1336 L N 0.554 121.761 121.223 -0.026 0.000 2.079 1336 L HA -0.192 4.148 4.340 0.000 0.000 0.210 1336 L C 2.474 179.332 176.870 -0.020 0.000 1.081 1336 L CA 1.108 55.923 54.840 -0.040 0.000 0.752 1336 L CB -0.629 41.389 42.059 -0.068 0.000 0.896 1336 L HN 0.008 nan 8.230 nan 0.000 0.433 1337 A N 0.422 123.239 122.820 -0.004 0.000 1.859 1337 A HA -0.272 4.048 4.320 0.000 0.000 0.217 1337 A C 2.157 179.781 177.584 0.067 0.000 1.198 1337 A CA 2.100 54.166 52.037 0.048 0.000 0.629 1337 A CB -0.625 18.397 19.000 0.037 0.000 0.830 1337 A HN 0.481 nan 8.150 nan 0.000 0.446 1338 E N -0.518 119.709 120.200 0.044 0.000 2.153 1338 E HA -0.131 4.219 4.350 0.000 0.000 0.194 1338 E C 1.957 178.562 176.600 0.009 0.000 0.988 1338 E CA 0.921 57.348 56.400 0.044 0.000 0.811 1338 E CB -0.234 29.489 29.700 0.040 0.000 0.746 1338 E HN 0.606 nan 8.360 nan 0.000 0.466 1339 L N 0.510 121.719 121.223 -0.023 0.000 2.109 1339 L HA -0.180 4.160 4.340 0.000 0.000 0.207 1339 L C 2.598 179.379 176.870 -0.149 0.000 1.086 1339 L CA 0.886 55.684 54.840 -0.069 0.000 0.760 1339 L CB -0.076 41.942 42.059 -0.069 0.000 0.910 1339 L HN 0.154 nan 8.230 nan 0.000 0.437 1340 Q N 0.364 120.078 119.800 -0.145 0.000 2.119 1340 Q HA -0.156 4.184 4.340 0.000 0.000 0.201 1340 Q C 2.054 177.709 176.000 -0.575 0.000 0.972 1340 Q CA 1.600 57.206 55.803 -0.329 0.000 0.847 1340 Q CB -0.129 28.578 28.738 -0.051 0.000 0.903 1340 Q HN 0.463 nan 8.270 nan 0.000 0.433 1341 L N -0.375 120.778 121.223 -0.117 0.000 2.131 1341 L HA -0.098 4.242 4.340 0.000 0.000 0.206 1341 L C 2.435 179.332 176.870 0.045 0.000 1.087 1341 L CA 1.067 55.994 54.840 0.144 0.000 0.767 1341 L CB -0.415 41.782 42.059 0.230 0.000 0.917 1341 L HN 0.231 nan 8.230 nan 0.000 0.441 1342 Q N 0.379 120.162 119.800 -0.028 0.000 2.226 1342 Q HA -0.176 4.164 4.340 0.000 0.000 0.204 1342 Q C 1.493 177.451 176.000 -0.069 0.000 0.975 1342 Q CA 1.173 56.966 55.803 -0.017 0.000 0.866 1342 Q CB 0.026 28.750 28.738 -0.023 0.000 0.915 1342 Q HN 0.428 nan 8.270 nan 0.000 0.440 1343 K N -1.119 119.152 120.400 -0.216 0.000 2.437 1343 K HA -0.004 4.316 4.320 0.000 0.000 0.198 1343 K C 0.735 177.155 176.600 -0.300 0.000 1.024 1343 K CA 0.021 56.143 56.287 -0.275 0.000 1.148 1343 K CB 0.258 32.533 32.500 -0.375 0.000 0.860 1343 K HN 0.300 nan 8.250 nan 0.000 0.515 1344 W N -0.233 121.046 121.300 -0.035 0.000 2.574 1344 W HA -0.024 4.636 4.660 0.000 0.000 0.282 1344 W C 2.578 179.083 176.519 -0.024 0.000 1.197 1344 W CA -0.076 57.239 57.345 -0.049 0.000 1.376 1344 W CB -0.097 29.315 29.460 -0.079 0.000 1.091 1344 W HN 0.025 nan 8.180 nan 0.000 0.569 1345 S N 0.679 116.511 115.700 0.220 0.000 2.378 1345 S HA -0.287 4.183 4.470 0.000 0.000 0.221 1345 S C 2.080 176.735 174.600 0.092 0.000 1.037 1345 S CA 3.035 61.316 58.200 0.135 0.000 1.069 1345 S CB -1.116 62.142 63.200 0.098 0.000 1.006 1345 S HN 0.338 nan 8.310 nan 0.000 0.423 1346 T N -1.218 113.370 114.554 0.058 0.000 2.778 1346 T HA -0.016 4.334 4.350 0.000 0.000 0.269 1346 T C 1.871 176.598 174.700 0.045 0.000 1.050 1346 T CA 1.679 63.800 62.100 0.035 0.000 1.137 1346 T CB -1.248 67.625 68.868 0.008 0.000 0.860 1346 T HN 0.474 nan 8.240 nan 0.000 0.468 1347 G N 0.742 109.586 108.800 0.073 0.000 2.534 1347 G HA2 0.340 4.300 3.960 0.000 0.000 0.217 1347 G HA3 0.340 4.300 3.960 0.000 0.000 0.217 1347 G C 1.332 176.281 174.900 0.083 0.000 1.128 1347 G CA 0.164 45.316 45.100 0.086 0.000 0.784 1347 G HN 1.315 nan 8.290 nan 0.000 0.542 1348 G N -1.014 107.835 108.800 0.083 0.000 2.225 1348 G HA2 -0.325 3.636 3.960 0.000 0.000 0.267 1348 G HA3 -0.325 3.636 3.960 0.000 0.000 0.267 1348 G C 0.439 175.367 174.900 0.045 0.000 1.024 1348 G CA 0.258 45.392 45.100 0.056 0.000 0.784 1348 G HN 0.580 nan 8.290 nan 0.000 0.507 1349 C N 0.168 119.511 119.300 0.073 0.000 2.595 1349 C HA 0.638 5.098 4.460 0.000 0.000 0.384 1349 C C 1.177 176.122 174.990 -0.076 0.000 1.289 1349 C CA -0.062 58.964 59.018 0.013 0.000 2.372 1349 C CB 1.409 29.191 27.740 0.071 0.000 2.593 1349 C HN 0.539 nan 8.230 nan 0.000 0.639 1350 S N 1.944 117.568 115.700 -0.127 0.000 2.426 1350 S HA 0.384 4.854 4.470 0.000 0.000 0.236 1350 S C -0.235 174.219 174.600 -0.243 0.000 1.368 1350 S CA -0.165 57.946 58.200 -0.148 0.000 1.154 1350 S CB -0.176 62.970 63.200 -0.090 0.000 1.037 1350 S HN 0.492 nan 8.310 nan 0.000 0.481 1351 I N 2.162 122.506 120.570 -0.377 0.000 2.529 1351 I HA 0.095 4.265 4.170 0.000 0.000 0.284 1351 I C 0.651 176.576 176.117 -0.321 0.000 1.082 1351 I CA -0.565 60.443 61.300 -0.487 0.000 1.406 1351 I CB 0.547 38.053 38.000 -0.823 0.000 1.405 1351 I HN 0.389 nan 8.210 nan 0.000 0.548 1352 D N 6.195 126.435 120.400 -0.267 0.000 2.658 1352 D HA -0.097 4.543 4.640 0.000 0.000 0.230 1352 D C 1.123 177.314 176.300 -0.182 0.000 1.118 1352 D CA 0.658 54.551 54.000 -0.179 0.000 0.848 1352 D CB 0.804 41.517 40.800 -0.144 0.000 1.160 1352 D HN 0.423 nan 8.370 nan 0.000 0.497 1353 K N 2.902 123.238 120.400 -0.107 0.000 2.074 1353 K HA -0.207 4.113 4.320 0.000 0.000 0.209 1353 K C 1.482 178.020 176.600 -0.103 0.000 1.048 1353 K CA 1.687 57.944 56.287 -0.050 0.000 0.926 1353 K CB -0.193 32.302 32.500 -0.008 0.000 0.713 1353 K HN 0.650 nan 8.250 nan 0.000 0.444 1354 N N 0.093 118.712 118.700 -0.134 0.000 2.398 1354 N HA -0.006 4.734 4.740 0.000 0.000 0.188 1354 N C 1.485 176.915 175.510 -0.134 0.000 1.122 1354 N CA 0.130 53.065 53.050 -0.192 0.000 0.866 1354 N CB 0.156 38.556 38.487 -0.146 0.000 0.970 1354 N HN 0.158 nan 8.380 nan 0.000 0.462 1355 I N 1.098 121.580 120.570 -0.147 0.000 2.867 1355 I HA -0.113 4.057 4.170 0.000 0.000 0.265 1355 I C 1.983 177.986 176.117 -0.190 0.000 1.162 1355 I CA 0.513 61.745 61.300 -0.113 0.000 1.471 1355 I CB 0.021 37.930 38.000 -0.151 0.000 1.123 1355 I HN 0.225 nan 8.210 nan 0.000 0.440 1356 S N 0.573 116.026 115.700 -0.412 0.000 2.461 1356 S HA -0.042 4.428 4.470 0.000 0.000 0.228 1356 S C 1.793 176.089 174.600 -0.507 0.000 1.005 1356 S CA 0.432 58.237 58.200 -0.659 0.000 0.942 1356 S CB -0.187 62.318 63.200 -1.159 0.000 0.776 1356 S HN 0.375 nan 8.310 nan 0.000 0.514 1357 K N 1.184 121.415 120.400 -0.282 0.000 2.076 1357 K HA 0.236 4.556 4.320 0.000 0.000 0.204 1357 K C 1.941 178.584 176.600 0.071 0.000 1.051 1357 K CA 1.114 57.353 56.287 -0.080 0.000 0.949 1357 K CB -0.345 31.978 32.500 -0.295 0.000 0.726 1357 K HN 0.339 nan 8.250 nan 0.000 0.443 1358 I N 0.288 120.932 120.570 0.122 0.000 2.264 1358 I HA -0.290 3.880 4.170 0.000 0.000 0.248 1358 I C 1.873 178.051 176.117 0.100 0.000 1.111 1358 I CA 1.366 62.761 61.300 0.158 0.000 1.382 1358 I CB -0.267 37.831 38.000 0.164 0.000 1.060 1358 I HN 0.140 nan 8.210 nan 0.000 0.418 1359 Y N 0.960 121.227 120.300 -0.056 0.000 2.352 1359 Y HA -0.226 4.324 4.550 0.000 0.000 0.292 1359 Y C 2.434 178.317 175.900 -0.028 0.000 1.136 1359 Y CA 1.308 59.384 58.100 -0.040 0.000 1.227 1359 Y CB -0.293 38.137 38.460 -0.049 0.000 0.991 1359 Y HN 0.025 nan 8.280 nan 0.000 0.545 1360 K N 0.513 120.974 120.400 0.102 0.000 2.432 1360 K HA 0.044 4.364 4.320 0.000 0.000 0.196 1360 K C 1.311 177.930 176.600 0.032 0.000 1.038 1360 K CA 0.839 57.176 56.287 0.083 0.000 0.986 1360 K CB -0.458 32.120 32.500 0.131 0.000 0.782 1360 K HN 0.329 nan 8.250 nan 0.000 0.485 1361 L N 0.160 121.376 121.223 -0.011 0.000 2.554 1361 L HA 0.076 4.416 4.340 0.000 0.000 0.226 1361 L C 1.474 178.329 176.870 -0.024 0.000 1.137 1361 L CA 0.269 55.057 54.840 -0.087 0.000 0.863 1361 L CB -0.086 41.796 42.059 -0.296 0.000 0.985 1361 L HN 0.113 nan 8.230 nan 0.000 0.451 1362 L N -0.829 120.387 121.223 -0.011 0.000 2.477 1362 L HA 0.009 4.349 4.340 0.000 0.000 0.220 1362 L C 2.244 179.134 176.870 0.033 0.000 1.106 1362 L CA 0.491 55.335 54.840 0.007 0.000 0.851 1362 L CB -0.078 41.943 42.059 -0.063 0.000 0.994 1362 L HN 0.279 nan 8.230 nan 0.000 0.462 1363 S N -0.469 115.257 115.700 0.043 0.000 2.701 1363 S HA 0.087 4.557 4.470 0.000 0.000 0.220 1363 S C 1.640 176.280 174.600 0.067 0.000 0.954 1363 S CA 0.340 58.573 58.200 0.055 0.000 0.936 1363 S CB -0.160 63.079 63.200 0.066 0.000 0.777 1363 S HN 0.522 nan 8.310 nan 0.000 0.518 1364 G N 1.019 109.867 108.800 0.081 0.000 2.216 1364 G HA2 -0.304 3.656 3.960 0.000 0.000 0.269 1364 G HA3 -0.304 3.656 3.960 0.000 0.000 0.269 1364 G C 0.181 175.139 174.900 0.096 0.000 0.981 1364 G CA 0.529 45.686 45.100 0.095 0.000 0.658 1364 G HN 1.738 nan 8.290 nan 0.000 0.539 1365 S N -1.422 114.333 115.700 0.093 0.000 2.387 1365 S HA 0.622 5.092 4.470 0.000 0.000 0.211 1365 S C -1.590 173.064 174.600 0.091 0.000 1.055 1365 S CA -0.267 57.999 58.200 0.109 0.000 1.133 1365 S CB 2.745 65.997 63.200 0.086 0.000 1.235 1365 S HN 0.129 nan 8.310 nan 0.000 0.425 1366 P HA 0.264 nan 4.420 nan 0.000 0.232 1366 P C 0.484 177.684 177.300 -0.168 0.000 1.170 1366 P CA 0.229 63.260 63.100 -0.115 0.000 0.824 1366 P CB -0.126 31.381 31.700 -0.322 0.000 0.896 1367 F N 1.141 121.177 119.950 0.142 0.000 2.692 1367 F HA 0.172 4.699 4.527 0.000 0.000 0.303 1367 F C 1.584 177.411 175.800 0.045 0.000 1.114 1367 F CA 0.310 58.391 58.000 0.136 0.000 1.361 1367 F CB -0.144 38.977 39.000 0.202 0.000 1.063 1367 F HN 0.061 nan 8.300 nan 0.000 0.550 1368 E N -1.431 118.864 120.200 0.158 0.000 2.702 1368 E HA 0.251 4.601 4.350 0.000 0.000 0.225 1368 E C 1.244 177.885 176.600 0.068 0.000 0.942 1368 E CA -0.150 56.302 56.400 0.087 0.000 1.210 1368 E CB -0.209 29.532 29.700 0.068 0.000 1.143 1368 E HN 0.093 nan 8.360 nan 0.000 0.544 1369 G N 1.402 110.249 108.800 0.078 0.000 2.647 1369 G HA2 0.130 4.090 3.960 0.000 0.000 0.271 1369 G HA3 0.130 4.090 3.960 0.000 0.000 0.271 1369 G C 0.784 175.733 174.900 0.082 0.000 1.300 1369 G CA -0.336 44.815 45.100 0.085 0.000 0.997 1369 G HN 0.069 nan 8.290 nan 0.000 0.533 1370 L N -1.105 120.181 121.223 0.106 0.000 1.976 1370 L HA 0.059 4.400 4.340 0.000 0.000 0.209 1370 L C 1.687 178.636 176.870 0.132 0.000 1.071 1370 L CA 0.852 55.757 54.840 0.109 0.000 0.746 1370 L CB -0.336 41.799 42.059 0.126 0.000 0.890 1370 L HN 0.386 nan 8.230 nan 0.000 0.432 1371 F N 1.264 121.236 119.950 0.036 0.000 2.626 1371 F HA 0.240 4.767 4.527 0.000 0.000 0.353 1371 F C 0.975 176.778 175.800 0.004 0.000 1.230 1371 F CA -0.601 57.411 58.000 0.020 0.000 1.298 1371 F CB 0.096 39.111 39.000 0.024 0.000 1.670 1371 F HN -0.130 nan 8.300 nan 0.000 0.633 1372 S N 3.166 118.794 115.700 -0.120 0.000 2.589 1372 S HA 0.258 4.728 4.470 0.000 0.000 0.265 1372 S C 0.850 175.375 174.600 -0.125 0.000 1.342 1372 S CA -0.437 57.726 58.200 -0.061 0.000 1.005 1372 S CB 0.639 63.824 63.200 -0.025 0.000 0.909 1372 S HN 0.685 nan 8.310 nan 0.000 0.555 1373 L N 2.797 124.001 121.223 -0.030 0.000 2.959 1373 L HA 0.249 4.589 4.340 0.000 0.000 0.259 1373 L C 1.688 178.678 176.870 0.200 0.000 1.185 1373 L CA -0.077 54.750 54.840 -0.023 0.000 0.998 1373 L CB -0.125 41.801 42.059 -0.222 0.000 1.337 1373 L HN 0.665 nan 8.230 nan 0.000 0.555 1374 K N 1.260 121.828 120.400 0.279 0.000 2.218 1374 K HA -0.220 4.100 4.320 0.000 0.000 0.205 1374 K C 1.763 178.541 176.600 0.298 0.000 1.046 1374 K CA 1.849 58.397 56.287 0.436 0.000 0.933 1374 K CB -0.042 32.629 32.500 0.285 0.000 0.728 1374 K HN 0.517 nan 8.250 nan 0.000 0.454 1375 E N 1.415 121.706 120.200 0.153 0.000 2.171 1375 E HA -0.224 4.126 4.350 0.000 0.000 0.197 1375 E C 1.578 178.267 176.600 0.148 0.000 0.997 1375 E CA 1.124 57.584 56.400 0.101 0.000 0.810 1375 E CB -0.611 29.099 29.700 0.017 0.000 0.738 1375 E HN 0.309 nan 8.360 nan 0.000 0.467 1376 L N 1.140 122.492 121.223 0.214 0.000 2.633 1376 L HA -0.074 4.266 4.340 0.000 0.000 0.235 1376 L C 2.035 179.063 176.870 0.264 0.000 1.163 1376 L CA 0.702 55.723 54.840 0.302 0.000 0.859 1376 L CB -0.459 41.811 42.059 0.352 0.000 0.973 1376 L HN 0.169 nan 8.230 nan 0.000 0.451 1377 E N -0.162 120.131 120.200 0.155 0.000 2.160 1377 E HA -0.191 4.159 4.350 0.000 0.000 0.195 1377 E C 2.203 178.845 176.600 0.070 0.000 0.991 1377 E CA 1.396 57.828 56.400 0.054 0.000 0.810 1377 E CB 0.000 29.731 29.700 0.051 0.000 0.742 1377 E HN 0.479 nan 8.360 nan 0.000 0.466 1378 S N 1.015 116.763 115.700 0.080 0.000 2.345 1378 S HA -0.147 4.323 4.470 0.000 0.000 0.220 1378 S C 1.675 176.267 174.600 -0.013 0.000 1.031 1378 S CA 1.343 59.563 58.200 0.033 0.000 0.996 1378 S CB -0.073 63.143 63.200 0.027 0.000 0.882 1378 S HN 0.204 nan 8.310 nan 0.000 0.445 1379 E N -0.656 119.511 120.200 -0.055 0.000 2.447 1379 E HA 0.310 4.660 4.350 0.000 0.000 0.204 1379 E C -0.521 175.843 176.600 -0.393 0.000 0.977 1379 E CA 0.000 56.244 56.400 -0.261 0.000 0.950 1379 E CB 0.265 29.707 29.700 -0.430 0.000 0.975 1379 E HN 0.356 nan 8.360 nan 0.000 0.496 1380 F N 0.654 120.618 119.950 0.023 0.000 2.436 1380 F HA 0.331 4.858 4.527 0.000 0.000 0.340 1380 F C 0.757 176.539 175.800 -0.031 0.000 1.113 1380 F CA -1.174 56.829 58.000 0.006 0.000 1.022 1380 F CB 1.669 40.698 39.000 0.049 0.000 1.128 1380 F HN -0.257 nan 8.300 nan 0.000 0.466 1381 S N 4.711 120.472 115.700 0.101 0.000 2.558 1381 S HA -0.115 4.355 4.470 0.000 0.000 0.287 1381 S C 1.428 175.987 174.600 -0.069 0.000 1.321 1381 S CA -0.424 57.761 58.200 -0.024 0.000 1.048 1381 S CB 0.331 63.435 63.200 -0.160 0.000 0.844 1381 S HN 0.814 nan 8.310 nan 0.000 0.512 1382 W N 5.298 126.547 121.300 -0.084 0.000 2.342 1382 W HA -0.160 4.500 4.660 0.000 0.000 0.297 1382 W C 1.341 177.773 176.519 -0.146 0.000 1.213 1382 W CA 0.814 58.071 57.345 -0.146 0.000 1.251 1382 W CB -1.151 28.234 29.460 -0.125 0.000 1.136 1382 W HN 0.666 nan 8.180 nan 0.000 0.526 1383 L N 1.886 122.337 121.223 -1.286 0.000 2.046 1383 L HA -0.149 4.191 4.340 0.000 0.000 0.208 1383 L C 2.792 179.273 176.870 -0.647 0.000 1.077 1383 L CA 2.426 56.456 54.840 -1.350 0.000 0.747 1383 L CB -1.435 39.826 42.059 -1.330 0.000 0.896 1383 L HN 0.204 nan 8.230 nan 0.000 0.432 1384 C N -0.753 118.294 119.300 -0.423 0.000 2.429 1384 C HA -0.123 4.338 4.460 0.000 0.000 0.277 1384 C C 2.745 177.641 174.990 -0.157 0.000 1.262 1384 C CA 0.821 59.693 59.018 -0.244 0.000 1.733 1384 C CB -1.078 26.596 27.740 -0.109 0.000 2.010 1384 C HN 0.614 nan 8.230 nan 0.000 0.483 1385 L N 0.228 121.394 121.223 -0.096 0.000 2.079 1385 L HA -0.163 4.177 4.340 0.000 0.000 0.210 1385 L C 2.469 179.235 176.870 -0.174 0.000 1.081 1385 L CA 1.200 56.057 54.840 0.028 0.000 0.752 1385 L CB -0.798 41.194 42.059 -0.111 0.000 0.896 1385 L HN 0.376 nan 8.230 nan 0.000 0.433 1386 L N 0.479 121.418 121.223 -0.473 0.000 2.017 1386 L HA -0.214 4.126 4.340 0.000 0.000 0.208 1386 L C 2.269 178.872 176.870 -0.446 0.000 1.073 1386 L CA 1.773 56.054 54.840 -0.932 0.000 0.745 1386 L CB -0.769 40.843 42.059 -0.745 0.000 0.894 1386 L HN 0.236 nan 8.230 nan 0.000 0.432 1387 N N -0.479 118.039 118.700 -0.303 0.000 2.258 1387 N HA -0.221 4.519 4.740 0.000 0.000 0.187 1387 N C 1.719 177.205 175.510 -0.040 0.000 1.012 1387 N CA 1.627 54.568 53.050 -0.182 0.000 0.870 1387 N CB -0.270 38.103 38.487 -0.189 0.000 0.977 1387 N HN 0.481 nan 8.380 nan 0.000 0.434 1388 L N -0.212 121.055 121.223 0.073 0.000 1.961 1388 L HA -0.158 4.182 4.340 0.000 0.000 0.209 1388 L C 2.159 179.210 176.870 0.303 0.000 1.075 1388 L CA 1.823 56.837 54.840 0.289 0.000 0.749 1388 L CB -1.257 41.029 42.059 0.379 0.000 0.890 1388 L HN 0.336 nan 8.230 nan 0.000 0.433 1389 T N -1.765 112.973 114.554 0.307 0.000 3.052 1389 T HA -0.139 4.211 4.350 0.000 0.000 0.270 1389 T C 1.647 176.422 174.700 0.124 0.000 1.147 1389 T CA 0.933 63.188 62.100 0.258 0.000 1.089 1389 T CB -0.364 68.682 68.868 0.297 0.000 0.875 1389 T HN 0.227 nan 8.240 nan 0.000 0.541 1390 L N -0.598 120.653 121.223 0.047 0.000 2.298 1390 L HA 0.160 4.500 4.340 0.000 0.000 0.209 1390 L C 2.507 179.411 176.870 0.057 0.000 1.084 1390 L CA 0.344 55.193 54.840 0.015 0.000 0.816 1390 L CB -0.171 41.826 42.059 -0.105 0.000 0.967 1390 L HN 0.383 nan 8.230 nan 0.000 0.460 1391 C N -1.740 117.520 119.300 -0.068 0.000 2.513 1391 C HA 0.034 4.494 4.460 0.000 0.000 0.292 1391 C C 2.084 176.825 174.990 -0.415 0.000 1.359 1391 C CA -0.146 58.685 59.018 -0.312 0.000 1.778 1391 C CB -0.509 26.792 27.740 -0.732 0.000 2.180 1391 C HN 0.440 nan 8.230 nan 0.000 0.509 1392 Y N 1.312 121.653 120.300 0.069 0.000 2.467 1392 Y HA 0.375 4.925 4.550 0.000 0.000 0.250 1392 Y C 1.752 177.691 175.900 0.065 0.000 1.155 1392 Y CA 0.018 58.151 58.100 0.055 0.000 1.249 1392 Y CB -0.695 37.785 38.460 0.035 0.000 1.146 1392 Y HN 0.257 nan 8.280 nan 0.000 0.524 1393 G N 0.361 109.273 108.800 0.186 0.000 2.653 1393 G HA2 0.131 4.092 3.960 0.000 0.000 0.265 1393 G HA3 0.131 4.092 3.960 0.000 0.000 0.265 1393 G C -0.195 174.758 174.900 0.088 0.000 1.237 1393 G CA -0.681 44.499 45.100 0.133 0.000 0.946 1393 G HN 0.298 nan 8.290 nan 0.000 0.522 1394 Q N 0.152 119.981 119.800 0.048 0.000 3.004 1394 Q HA 0.173 4.513 4.340 0.000 0.000 0.256 1394 Q C 1.418 177.475 176.000 0.094 0.000 1.387 1394 Q CA -0.289 55.554 55.803 0.065 0.000 0.962 1394 Q CB 0.130 28.904 28.738 0.060 0.000 1.676 1394 Q HN 0.493 nan 8.270 nan 0.000 0.568 1395 I N 0.447 121.059 120.570 0.071 0.000 2.151 1395 I HA -0.350 3.820 4.170 0.000 0.000 0.243 1395 I C 0.961 177.122 176.117 0.072 0.000 1.080 1395 I CA 1.398 62.730 61.300 0.054 0.000 1.339 1395 I CB 0.033 37.993 38.000 -0.068 0.000 1.039 1395 I HN 0.467 nan 8.210 nan 0.000 0.409 1396 D N 0.127 120.566 120.400 0.065 0.000 2.183 1396 D HA -0.101 4.540 4.640 0.000 0.000 0.205 1396 D C 2.109 178.469 176.300 0.101 0.000 0.962 1396 D CA 0.793 54.829 54.000 0.060 0.000 0.849 1396 D CB -0.082 40.739 40.800 0.035 0.000 0.978 1396 D HN 0.373 nan 8.370 nan 0.000 0.488 1397 E N -0.722 119.579 120.200 0.168 0.000 2.072 1397 E HA -0.085 4.265 4.350 0.000 0.000 0.191 1397 E C 0.286 176.994 176.600 0.181 0.000 0.985 1397 E CA 0.755 57.273 56.400 0.195 0.000 0.801 1397 E CB 0.077 29.962 29.700 0.308 0.000 0.750 1397 E HN 0.372 nan 8.360 nan 0.000 0.452 1398 Y N 0.457 120.786 120.300 0.049 0.000 2.593 1398 Y HA 0.218 4.768 4.550 0.000 0.000 0.330 1398 Y C 0.604 176.538 175.900 0.057 0.000 1.223 1398 Y CA -1.326 56.807 58.100 0.055 0.000 1.350 1398 Y CB 1.190 39.693 38.460 0.071 0.000 1.499 1398 Y HN -0.166 nan 8.280 nan 0.000 0.554 1399 S N 0.672 116.507 115.700 0.225 0.000 2.525 1399 S HA 0.181 4.651 4.470 0.000 0.000 0.290 1399 S C 0.445 175.153 174.600 0.180 0.000 1.152 1399 S CA -0.789 57.499 58.200 0.148 0.000 1.072 1399 S CB 1.623 64.872 63.200 0.081 0.000 1.027 1399 S HN 0.671 nan 8.310 nan 0.000 0.500 1400 L N 1.687 123.015 121.223 0.176 0.000 2.089 1400 L HA -0.127 4.214 4.340 0.000 0.000 0.213 1400 L C 2.005 179.041 176.870 0.277 0.000 1.079 1400 L CA 2.053 57.032 54.840 0.232 0.000 0.758 1400 L CB -1.309 40.897 42.059 0.245 0.000 0.891 1400 L HN 0.876 nan 8.230 nan 0.000 0.433 1401 E N -0.730 119.573 120.200 0.172 0.000 2.001 1401 E HA -0.213 4.137 4.350 0.000 0.000 0.195 1401 E C 2.362 179.056 176.600 0.157 0.000 1.002 1401 E CA 1.655 58.099 56.400 0.075 0.000 0.819 1401 E CB -0.733 28.857 29.700 -0.183 0.000 0.769 1401 E HN 0.533 nan 8.360 nan 0.000 0.454 1402 S N 0.021 115.799 115.700 0.131 0.000 2.378 1402 S HA -0.259 4.211 4.470 0.000 0.000 0.229 1402 S C 1.955 176.681 174.600 0.209 0.000 1.052 1402 S CA 1.591 59.895 58.200 0.172 0.000 1.084 1402 S CB -0.459 62.860 63.200 0.199 0.000 0.950 1402 S HN 0.222 nan 8.310 nan 0.000 0.440 1403 L N 1.692 123.047 121.223 0.219 0.000 1.971 1403 L HA -0.083 4.257 4.340 0.000 0.000 0.215 1403 L C 2.486 179.460 176.870 0.172 0.000 1.072 1403 L CA 2.156 57.092 54.840 0.160 0.000 0.758 1403 L CB -1.012 41.137 42.059 0.151 0.000 0.889 1403 L HN 0.294 nan 8.230 nan 0.000 0.433 1404 V N -0.475 119.569 119.914 0.216 0.000 2.370 1404 V HA -0.384 3.736 4.120 0.000 0.000 0.252 1404 V C 2.550 178.800 176.094 0.259 0.000 1.068 1404 V CA 2.085 64.534 62.300 0.250 0.000 1.061 1404 V CB -0.882 31.160 31.823 0.365 0.000 0.656 1404 V HN 0.666 nan 8.190 nan 0.000 0.455 1405 Q N 1.344 121.282 119.800 0.231 0.000 2.083 1405 Q HA -0.156 4.184 4.340 0.000 0.000 0.198 1405 Q C 2.186 178.277 176.000 0.153 0.000 0.969 1405 Q CA 2.046 57.963 55.803 0.191 0.000 0.838 1405 Q CB -0.480 28.353 28.738 0.159 0.000 0.900 1405 Q HN 0.767 nan 8.270 nan 0.000 0.436 1406 S N -1.277 114.508 115.700 0.141 0.000 2.595 1406 S HA -0.132 4.339 4.470 0.000 0.000 0.235 1406 S C 1.441 176.093 174.600 0.088 0.000 0.974 1406 S CA 0.961 59.216 58.200 0.092 0.000 0.942 1406 S CB -0.391 62.841 63.200 0.054 0.000 0.766 1406 S HN 0.656 nan 8.310 nan 0.000 0.536 1407 H N 0.213 119.308 119.070 0.041 0.000 2.476 1407 H HA 0.369 4.925 4.556 0.000 0.000 0.292 1407 H C 1.527 176.883 175.328 0.046 0.000 1.019 1407 H CA 0.539 56.603 56.048 0.027 0.000 1.330 1407 H CB -0.194 29.588 29.762 0.034 0.000 1.451 1407 H HN 0.252 nan 8.280 nan 0.000 0.535 1408 L N 1.009 122.296 121.223 0.106 0.000 2.083 1408 L HA -0.138 4.202 4.340 0.000 0.000 0.209 1408 L C 1.443 178.289 176.870 -0.041 0.000 1.083 1408 L CA 1.495 56.368 54.840 0.056 0.000 0.752 1408 L CB -0.528 41.596 42.059 0.109 0.000 0.899 1408 L HN 0.393 nan 8.230 nan 0.000 0.433 1409 D N -0.297 120.076 120.400 -0.045 0.000 2.384 1409 D HA -0.155 4.485 4.640 0.000 0.000 0.222 1409 D C 1.796 177.985 176.300 -0.186 0.000 0.976 1409 D CA 0.781 54.736 54.000 -0.075 0.000 0.915 1409 D CB 0.081 40.861 40.800 -0.034 0.000 0.896 1409 D HN 0.439 nan 8.370 nan 0.000 0.523 1410 K N -0.787 119.411 120.400 -0.336 0.000 2.334 1410 K HA 0.125 4.445 4.320 0.000 0.000 0.195 1410 K C 0.013 176.000 176.600 -1.022 0.000 1.045 1410 K CA 0.343 56.217 56.287 -0.688 0.000 1.004 1410 K CB 0.800 32.785 32.500 -0.857 0.000 0.837 1410 K HN -0.025 nan 8.250 nan 0.000 0.510 1411 F N 0.362 120.182 119.950 -0.217 0.000 2.608 1411 F HA 0.179 4.706 4.527 0.000 0.000 0.309 1411 F C 0.201 175.928 175.800 -0.122 0.000 1.103 1411 F CA -1.494 56.409 58.000 -0.161 0.000 0.954 1411 F CB 1.507 40.393 39.000 -0.190 0.000 1.267 1411 F HN -0.182 nan 8.300 nan 0.000 0.444 1412 S N 2.561 118.322 115.700 0.101 0.000 2.600 1412 S HA 0.768 5.238 4.470 0.000 0.000 0.265 1412 S C -0.627 173.941 174.600 -0.054 0.000 1.325 1412 S CA -0.522 57.686 58.200 0.013 0.000 1.002 1412 S CB 0.742 63.942 63.200 -0.001 0.000 0.921 1412 S HN 0.580 nan 8.310 nan 0.000 0.554 1413 L N 0.274 121.395 121.223 -0.170 0.000 2.283 1413 L HA 0.535 4.875 4.340 0.000 0.000 0.259 1413 L C -2.319 174.323 176.870 -0.380 0.000 1.027 1413 L CA -2.894 51.667 54.840 -0.466 0.000 0.828 1413 L CB 1.656 43.286 42.059 -0.715 0.000 1.380 1413 L HN 0.505 nan 8.230 nan 0.000 0.425 1414 P HA -0.156 nan 4.420 nan 0.000 0.253 1414 P C 0.105 177.337 177.300 -0.113 0.000 1.170 1414 P CA 0.380 63.335 63.100 -0.242 0.000 0.806 1414 P CB -0.045 31.522 31.700 -0.221 0.000 0.775 1415 Y N 3.245 123.462 120.300 -0.139 0.000 2.556 1415 Y HA -0.176 4.374 4.550 0.000 0.000 0.290 1415 Y C 0.482 176.343 175.900 -0.065 0.000 1.149 1415 Y CA 1.519 59.563 58.100 -0.093 0.000 1.329 1415 Y CB 0.033 38.455 38.460 -0.064 0.000 0.975 1415 Y HN 0.246 nan 8.280 nan 0.000 0.561 1416 D N -0.206 120.156 120.400 -0.063 0.000 2.819 1416 D HA 0.096 4.737 4.640 0.000 0.000 0.326 1416 D C -0.993 175.278 176.300 -0.049 0.000 1.408 1416 D CA -0.020 53.919 54.000 -0.101 0.000 0.811 1416 D CB 0.050 40.836 40.800 -0.023 0.000 1.148 1416 D HN 0.190 nan 8.370 nan 0.000 0.457 1417 D N 1.311 121.682 120.400 -0.048 0.000 2.344 1417 D HA 0.188 4.828 4.640 0.000 0.000 0.239 1417 D C -1.395 174.920 176.300 0.026 0.000 1.064 1417 D CA -2.136 51.879 54.000 0.025 0.000 0.829 1417 D CB 2.978 43.829 40.800 0.084 0.000 1.129 1417 D HN -0.145 nan 8.370 nan 0.000 0.506 1418 P HA -0.159 nan 4.420 nan 0.000 0.213 1418 P C 1.848 179.172 177.300 0.039 0.000 1.170 1418 P CA 1.299 64.374 63.100 -0.043 0.000 0.898 1418 P CB 0.095 31.747 31.700 -0.079 0.000 0.787 1419 I N -2.510 118.155 120.570 0.158 0.000 2.286 1419 I HA -0.066 4.104 4.170 0.000 0.000 0.248 1419 I C 2.487 178.919 176.117 0.525 0.000 1.115 1419 I CA 2.113 63.606 61.300 0.322 0.000 1.392 1419 I CB -1.945 36.318 38.000 0.438 0.000 1.065 1419 I HN -0.120 nan 8.210 nan 0.000 0.418 1420 G N 1.346 110.427 108.800 0.468 0.000 2.408 1420 G HA2 -0.106 3.854 3.960 0.000 0.000 0.217 1420 G HA3 -0.106 3.854 3.960 0.000 0.000 0.217 1420 G C 1.667 176.689 174.900 0.203 0.000 1.150 1420 G CA 0.981 46.290 45.100 0.348 0.000 0.776 1420 G HN 0.327 nan 8.290 nan 0.000 0.542 1421 V N 1.074 121.067 119.914 0.131 0.000 2.323 1421 V HA -0.088 4.032 4.120 0.000 0.000 0.244 1421 V C 2.739 178.948 176.094 0.192 0.000 1.041 1421 V CA 1.150 63.508 62.300 0.096 0.000 1.025 1421 V CB -0.386 31.444 31.823 0.010 0.000 0.656 1421 V HN 0.370 nan 8.190 nan 0.000 0.451 1422 I N -0.541 120.148 120.570 0.198 0.000 2.113 1422 I HA -0.372 3.798 4.170 0.000 0.000 0.242 1422 I C 2.371 178.641 176.117 0.254 0.000 1.057 1422 I CA 2.239 63.664 61.300 0.207 0.000 1.314 1422 I CB -0.484 37.565 38.000 0.082 0.000 1.022 1422 I HN 0.241 nan 8.210 nan 0.000 0.408 1423 F N 0.741 120.808 119.950 0.195 0.000 2.091 1423 F HA -0.310 4.217 4.527 0.000 0.000 0.299 1423 F C 2.741 178.681 175.800 0.235 0.000 1.103 1423 F CA 1.740 59.857 58.000 0.194 0.000 1.228 1423 F CB -0.656 38.471 39.000 0.212 0.000 0.984 1423 F HN 0.136 nan 8.300 nan 0.000 0.477 1424 Q N -0.048 119.974 119.800 0.370 0.000 2.234 1424 Q HA -0.201 4.139 4.340 0.000 0.000 0.206 1424 Q C 2.184 178.336 176.000 0.253 0.000 0.980 1424 Q CA 1.251 57.208 55.803 0.257 0.000 0.869 1424 Q CB -0.282 28.553 28.738 0.161 0.000 0.912 1424 Q HN 0.499 nan 8.270 nan 0.000 0.436 1425 L N -1.281 120.127 121.223 0.308 0.000 1.993 1425 L HA -0.178 4.162 4.340 0.000 0.000 0.206 1425 L C 2.204 179.314 176.870 0.401 0.000 1.074 1425 L CA 1.197 56.242 54.840 0.341 0.000 0.746 1425 L CB -0.765 41.533 42.059 0.397 0.000 0.896 1425 L HN 0.163 nan 8.230 nan 0.000 0.435 1426 Y N 0.937 121.442 120.300 0.342 0.000 2.219 1426 Y HA -0.403 4.147 4.550 0.000 0.000 0.283 1426 Y C 2.427 178.391 175.900 0.107 0.000 1.191 1426 Y CA 1.406 59.554 58.100 0.080 0.000 1.199 1426 Y CB -0.287 38.020 38.460 -0.256 0.000 0.972 1426 Y HN 0.196 nan 8.280 nan 0.000 0.527 1427 A N 0.402 123.401 122.820 0.298 0.000 1.841 1427 A HA 0.063 4.383 4.320 0.000 0.000 0.216 1427 A C 1.538 179.195 177.584 0.121 0.000 1.199 1427 A CA 1.297 53.469 52.037 0.224 0.000 0.621 1427 A CB -1.359 17.781 19.000 0.234 0.000 0.835 1427 A HN 0.469 nan 8.150 nan 0.000 0.445 1428 A N -0.256 122.631 122.820 0.112 0.000 2.478 1428 A HA 0.450 4.770 4.320 0.000 0.000 0.327 1428 A C 0.759 178.365 177.584 0.036 0.000 1.431 1428 A CA -0.407 51.670 52.037 0.067 0.000 1.014 1428 A CB -0.130 18.911 19.000 0.068 0.000 1.143 1428 A HN 0.413 nan 8.150 nan 0.000 0.532 1429 N N 1.842 120.541 118.700 -0.001 0.000 2.135 1429 N HA -0.130 4.610 4.740 0.000 0.000 0.186 1429 N C 1.397 176.880 175.510 -0.046 0.000 1.027 1429 N CA 1.754 54.784 53.050 -0.034 0.000 0.849 1429 N CB 0.081 38.530 38.487 -0.064 0.000 1.002 1429 N HN 0.804 nan 8.380 nan 0.000 0.425 1430 E N -0.435 119.744 120.200 -0.035 0.000 2.204 1430 E HA -0.042 4.308 4.350 0.000 0.000 0.194 1430 E C 0.194 176.766 176.600 -0.047 0.000 0.989 1430 E CA 0.687 57.059 56.400 -0.045 0.000 0.824 1430 E CB 0.023 29.706 29.700 -0.029 0.000 0.756 1430 E HN 0.304 nan 8.360 nan 0.000 0.477 1431 N N -0.543 118.143 118.700 -0.024 0.000 2.282 1431 N HA 0.005 4.745 4.740 0.000 0.000 0.240 1431 N C 0.777 176.287 175.510 0.000 0.000 1.182 1431 N CA 0.099 53.141 53.050 -0.013 0.000 0.874 1431 N CB 0.705 39.197 38.487 0.009 0.000 1.126 1431 N HN -0.065 nan 8.380 nan 0.000 0.516 1432 T N -0.144 114.398 114.554 -0.020 0.000 2.759 1432 T HA -0.196 4.154 4.350 0.000 0.000 0.269 1432 T C 1.542 176.257 174.700 0.024 0.000 1.042 1432 T CA 1.578 63.686 62.100 0.014 0.000 1.140 1432 T CB 0.093 68.952 68.868 -0.014 0.000 0.864 1432 T HN 0.405 nan 8.240 nan 0.000 0.455 1433 E N -0.243 119.921 120.200 -0.061 0.000 2.152 1433 E HA -0.085 4.265 4.350 0.000 0.000 0.192 1433 E C 2.276 178.923 176.600 0.079 0.000 0.983 1433 E CA 0.803 57.193 56.400 -0.017 0.000 0.818 1433 E CB -0.118 29.504 29.700 -0.131 0.000 0.758 1433 E HN 0.435 nan 8.360 nan 0.000 0.467 1434 K N 0.138 120.563 120.400 0.042 0.000 2.211 1434 K HA -0.123 4.197 4.320 0.000 0.000 0.203 1434 K C 1.974 178.620 176.600 0.077 0.000 1.050 1434 K CA 0.645 56.965 56.287 0.054 0.000 0.945 1434 K CB 0.080 32.597 32.500 0.028 0.000 0.732 1434 K HN 0.147 nan 8.250 nan 0.000 0.451 1435 L N 0.039 121.318 121.223 0.093 0.000 2.416 1435 L HA 0.019 4.359 4.340 0.000 0.000 0.216 1435 L C 1.704 178.640 176.870 0.110 0.000 1.098 1435 L CA 0.869 55.763 54.840 0.090 0.000 0.840 1435 L CB -0.341 41.773 42.059 0.092 0.000 0.981 1435 L HN 0.161 nan 8.230 nan 0.000 0.462 1436 Y N 0.383 120.709 120.300 0.043 0.000 2.242 1436 Y HA -0.198 4.352 4.550 0.000 0.000 0.291 1436 Y C 2.126 178.053 175.900 0.046 0.000 1.137 1436 Y CA 1.864 59.996 58.100 0.052 0.000 1.181 1436 Y CB 0.014 38.515 38.460 0.067 0.000 0.989 1436 Y HN 0.140 nan 8.280 nan 0.000 0.527 1437 K N 0.049 120.500 120.400 0.086 0.000 2.167 1437 K HA -0.147 4.173 4.320 0.000 0.000 0.203 1437 K C 1.961 178.531 176.600 -0.051 0.000 1.052 1437 K CA 1.282 57.566 56.287 -0.004 0.000 0.956 1437 K CB -0.153 32.409 32.500 0.103 0.000 0.735 1437 K HN 0.388 nan 8.250 nan 0.000 0.451 1438 E N 0.956 121.149 120.200 -0.012 0.000 2.268 1438 E HA -0.133 4.217 4.350 0.000 0.000 0.195 1438 E C 1.575 178.148 176.600 -0.044 0.000 0.995 1438 E CA 0.546 56.942 56.400 -0.006 0.000 0.836 1438 E CB 0.289 30.004 29.700 0.024 0.000 0.763 1438 E HN 0.048 nan 8.360 nan 0.000 0.491 1439 V N 0.048 119.897 119.914 -0.109 0.000 2.374 1439 V HA -0.065 4.055 4.120 0.000 0.000 0.241 1439 V C 2.315 178.293 176.094 -0.194 0.000 1.034 1439 V CA 1.329 63.538 62.300 -0.151 0.000 1.037 1439 V CB -0.291 31.430 31.823 -0.170 0.000 0.682 1439 V HN 0.130 nan 8.190 nan 0.000 0.463 1440 R N -0.097 120.239 120.500 -0.273 0.000 2.280 1440 R HA -0.129 4.211 4.340 0.000 0.000 0.207 1440 R C 2.229 178.456 176.300 -0.122 0.000 1.043 1440 R CA 0.866 56.830 56.100 -0.226 0.000 1.006 1440 R CB -0.076 30.031 30.300 -0.321 0.000 0.885 1440 R HN 0.603 nan 8.270 nan 0.000 0.467 1441 Q N -0.089 119.654 119.800 -0.096 0.000 2.369 1441 Q HA -0.104 4.236 4.340 0.000 0.000 0.206 1441 Q C 1.187 177.178 176.000 -0.015 0.000 0.963 1441 Q CA 1.046 56.828 55.803 -0.036 0.000 0.894 1441 Q CB 0.353 29.082 28.738 -0.014 0.000 0.965 1441 Q HN 0.249 nan 8.270 nan 0.000 0.475 1442 R N -1.421 119.050 120.500 -0.048 0.000 2.435 1442 R HA 0.206 4.547 4.340 0.000 0.000 0.221 1442 R C -0.327 175.901 176.300 -0.120 0.000 0.885 1442 R CA 0.498 56.584 56.100 -0.024 0.000 1.018 1442 R CB 1.469 31.777 30.300 0.014 0.000 1.259 1442 R HN -0.053 nan 8.270 nan 0.000 0.597 1443 T N 1.020 115.471 114.554 -0.171 0.000 3.237 1443 T HA 0.169 4.519 4.350 0.000 0.000 0.319 1443 T C -1.107 173.521 174.700 -0.120 0.000 1.037 1443 T CA -0.811 61.180 62.100 -0.182 0.000 1.048 1443 T CB 1.583 70.251 68.868 -0.333 0.000 1.081 1443 T HN -0.043 nan 8.240 nan 0.000 0.455 1444 N N 2.081 120.741 118.700 -0.067 0.000 3.193 1444 N HA 0.345 5.085 4.740 0.000 0.000 0.312 1444 N C 0.917 176.403 175.510 -0.041 0.000 1.261 1444 N CA -0.256 52.772 53.050 -0.036 0.000 1.208 1444 N CB 0.339 38.825 38.487 -0.003 0.000 1.471 1444 N HN 0.746 nan 8.380 nan 0.000 0.548 1445 A N 0.025 122.802 122.820 -0.072 0.000 2.229 1445 A HA 0.244 4.564 4.320 0.000 0.000 0.211 1445 A C 0.516 178.042 177.584 -0.097 0.000 1.193 1445 A CA 0.068 52.058 52.037 -0.078 0.000 0.879 1445 A CB 0.379 19.317 19.000 -0.103 0.000 0.911 1445 A HN 0.324 nan 8.150 nan 0.000 0.492 1446 L N 1.461 122.639 121.223 -0.076 0.000 2.265 1446 L HA 0.296 4.637 4.340 0.000 0.000 0.289 1446 L C -0.523 176.369 176.870 0.036 0.000 1.033 1446 L CA -0.883 53.909 54.840 -0.080 0.000 0.814 1446 L CB 1.113 43.199 42.059 0.045 0.000 1.203 1446 L HN 0.144 nan 8.230 nan 0.000 0.423 1447 D N 1.792 122.210 120.400 0.030 0.000 2.474 1447 D HA -0.055 4.585 4.640 0.000 0.000 0.232 1447 D C 1.023 177.450 176.300 0.211 0.000 1.177 1447 D CA 0.087 54.171 54.000 0.141 0.000 0.876 1447 D CB 1.412 42.328 40.800 0.194 0.000 1.208 1447 D HN 0.222 nan 8.370 nan 0.000 0.464 1448 V N 2.481 122.511 119.914 0.193 0.000 2.343 1448 V HA -0.252 3.868 4.120 0.000 0.000 0.247 1448 V C 2.330 178.530 176.094 0.177 0.000 1.051 1448 V CA 2.281 64.706 62.300 0.208 0.000 1.036 1448 V CB -0.701 31.259 31.823 0.228 0.000 0.654 1448 V HN 0.709 nan 8.190 nan 0.000 0.451 1449 Q N -0.999 118.864 119.800 0.105 0.000 2.167 1449 Q HA -0.219 4.121 4.340 0.000 0.000 0.202 1449 Q C 2.142 178.169 176.000 0.045 0.000 0.970 1449 Q CA 1.768 57.410 55.803 -0.269 0.000 0.855 1449 Q CB -0.154 28.470 28.738 -0.189 0.000 0.911 1449 Q HN 0.627 nan 8.270 nan 0.000 0.438 1450 F N 0.379 120.358 119.950 0.048 0.000 2.113 1450 F HA -0.209 4.318 4.527 0.000 0.000 0.297 1450 F C 2.285 178.092 175.800 0.013 0.000 1.103 1450 F CA 1.324 59.310 58.000 -0.023 0.000 1.248 1450 F CB -0.516 38.412 39.000 -0.120 0.000 0.999 1450 F HN 0.169 nan 8.300 nan 0.000 0.475 1451 C N -0.347 119.112 119.300 0.265 0.000 2.403 1451 C HA -0.242 4.218 4.460 0.000 0.000 0.277 1451 C C 2.517 177.540 174.990 0.054 0.000 1.248 1451 C CA 1.185 60.345 59.018 0.237 0.000 1.762 1451 C CB -1.815 26.141 27.740 0.360 0.000 2.014 1451 C HN 0.843 nan 8.230 nan 0.000 0.486 1452 W N -0.358 120.860 121.300 -0.137 0.000 2.423 1452 W HA -0.088 4.572 4.660 0.000 0.000 0.321 1452 W C 2.487 178.813 176.519 -0.322 0.000 1.180 1452 W CA 1.423 58.634 57.345 -0.225 0.000 1.322 1452 W CB -1.316 28.016 29.460 -0.212 0.000 1.174 1452 W HN 0.409 nan 8.180 nan 0.000 0.470 1453 Y N 0.676 120.577 120.300 -0.665 0.000 2.298 1453 Y HA -0.311 4.239 4.550 0.000 0.000 0.287 1453 Y C 2.362 177.695 175.900 -0.945 0.000 1.164 1453 Y CA 2.014 59.523 58.100 -0.984 0.000 1.229 1453 Y CB -0.475 37.663 38.460 -0.535 0.000 0.977 1453 Y HN 0.126 nan 8.280 nan 0.000 0.538 1454 L N -0.289 120.585 121.223 -0.582 0.000 2.023 1454 L HA -0.162 4.178 4.340 0.000 0.000 0.205 1454 L C 1.910 178.475 176.870 -0.510 0.000 1.073 1454 L CA 1.689 56.245 54.840 -0.472 0.000 0.745 1454 L CB -0.709 41.028 42.059 -0.537 0.000 0.900 1454 L HN 0.144 nan 8.230 nan 0.000 0.435 1455 I N -0.542 119.688 120.570 -0.567 0.000 2.928 1455 I HA -0.116 4.054 4.170 0.000 0.000 0.266 1455 I C 2.162 177.744 176.117 -0.893 0.000 1.234 1455 I CA 0.738 61.579 61.300 -0.765 0.000 1.483 1455 I CB -0.771 36.877 38.000 -0.586 0.000 1.097 1455 I HN 0.466 nan 8.210 nan 0.000 0.455 1456 Q N 0.620 119.961 119.800 -0.765 0.000 2.226 1456 Q HA -0.023 4.317 4.340 0.000 0.000 0.199 1456 Q C 2.133 177.827 176.000 -0.509 0.000 0.945 1456 Q CA 1.424 56.834 55.803 -0.655 0.000 0.861 1456 Q CB -0.095 28.003 28.738 -1.067 0.000 0.953 1456 Q HN 0.233 nan 8.270 nan 0.000 0.490 1457 T N 0.676 114.833 114.554 -0.661 0.000 2.962 1457 T HA -0.010 4.340 4.350 0.000 0.000 0.270 1457 T C 1.323 175.889 174.700 -0.223 0.000 1.088 1457 T CA 0.746 62.575 62.100 -0.451 0.000 1.127 1457 T CB -0.056 68.458 68.868 -0.590 0.000 0.883 1457 T HN 0.192 nan 8.240 nan 0.000 0.493 1458 L N -0.053 120.964 121.223 -0.344 0.000 2.418 1458 L HA 0.219 4.559 4.340 0.000 0.000 0.218 1458 L C 2.535 179.302 176.870 -0.172 0.000 1.125 1458 L CA 0.655 55.372 54.840 -0.204 0.000 0.835 1458 L CB -0.163 41.757 42.059 -0.230 0.000 0.953 1458 L HN 0.046 nan 8.230 nan 0.000 0.454 1459 R N -0.859 119.388 120.500 -0.422 0.000 2.290 1459 R HA 0.062 4.402 4.340 0.000 0.000 0.197 1459 R C 1.031 177.167 176.300 -0.273 0.000 0.913 1459 R CA 0.284 56.214 56.100 -0.284 0.000 1.040 1459 R CB 0.362 30.392 30.300 -0.449 0.000 0.992 1459 R HN 0.163 nan 8.270 nan 0.000 0.500 1460 F N -0.343 119.523 119.950 -0.140 0.000 2.654 1460 F HA 0.297 4.824 4.527 0.000 0.000 0.303 1460 F C 0.643 176.416 175.800 -0.046 0.000 1.099 1460 F CA -0.216 57.733 58.000 -0.084 0.000 1.270 1460 F CB 0.825 39.764 39.000 -0.103 0.000 1.024 1460 F HN -0.034 nan 8.300 nan 0.000 0.548 1461 N N -0.468 118.287 118.700 0.091 0.000 2.143 1461 N HA 0.147 4.887 4.740 0.000 0.000 0.222 1461 N C 1.147 176.701 175.510 0.074 0.000 1.264 1461 N CA 0.815 53.918 53.050 0.088 0.000 0.897 1461 N CB 0.926 39.474 38.487 0.100 0.000 1.092 1461 N HN 0.094 nan 8.380 nan 0.000 0.516 1462 G N 1.013 109.849 108.800 0.061 0.000 2.298 1462 G HA2 -0.278 3.682 3.960 0.000 0.000 0.287 1462 G HA3 -0.278 3.682 3.960 0.000 0.000 0.287 1462 G C 0.729 175.680 174.900 0.086 0.000 1.075 1462 G CA 1.104 46.238 45.100 0.057 0.000 0.960 1462 G HN 0.296 nan 8.290 nan 0.000 0.502 1463 T N -1.098 113.545 114.554 0.148 0.000 2.983 1463 T HA 0.259 4.609 4.350 0.000 0.000 0.250 1463 T C 1.416 176.190 174.700 0.123 0.000 1.037 1463 T CA 1.320 63.517 62.100 0.162 0.000 1.142 1463 T CB 0.403 69.416 68.868 0.242 0.000 0.876 1463 T HN 0.646 nan 8.240 nan 0.000 0.455 1464 R N -0.524 120.065 120.500 0.147 0.000 2.870 1464 R HA 0.631 4.971 4.340 0.000 0.000 0.262 1464 R C -1.721 174.237 176.300 -0.569 0.000 1.112 1464 R CA -0.791 55.182 56.100 -0.211 0.000 0.976 1464 R CB 1.449 31.553 30.300 -0.326 0.000 1.261 1464 R HN -0.102 nan 8.270 nan 0.000 0.453 1465 V N 1.753 121.171 119.914 -0.827 0.000 2.439 1465 V HA 0.491 4.611 4.120 0.000 0.000 0.282 1465 V C -1.009 174.462 176.094 -1.038 0.000 1.039 1465 V CA -0.127 61.778 62.300 -0.659 0.000 0.913 1465 V CB 0.648 32.265 31.823 -0.343 0.000 0.983 1465 V HN 0.436 nan 8.190 nan 0.000 0.460 1466 F N 1.372 121.270 119.950 -0.088 0.000 2.573 1466 F HA 0.425 4.952 4.527 0.000 0.000 0.316 1466 F C 0.438 176.189 175.800 -0.082 0.000 1.148 1466 F CA -0.538 57.400 58.000 -0.102 0.000 0.940 1466 F CB 1.936 40.854 39.000 -0.136 0.000 1.214 1466 F HN 0.309 nan 8.300 nan 0.000 0.448 1467 S N 2.829 118.581 115.700 0.086 0.000 2.505 1467 S HA 0.139 4.609 4.470 0.000 0.000 0.276 1467 S C 1.211 175.837 174.600 0.043 0.000 1.274 1467 S CA -0.682 57.546 58.200 0.045 0.000 1.053 1467 S CB 1.099 64.320 63.200 0.034 0.000 0.919 1467 S HN 0.647 nan 8.310 nan 0.000 0.490 1468 K N 2.758 123.172 120.400 0.023 0.000 2.074 1468 K HA -0.217 4.103 4.320 0.000 0.000 0.209 1468 K C 1.785 178.384 176.600 -0.002 0.000 1.048 1468 K CA 1.625 57.916 56.287 0.006 0.000 0.926 1468 K CB -0.087 32.414 32.500 0.001 0.000 0.713 1468 K HN 0.631 nan 8.250 nan 0.000 0.444 1469 E N -0.030 120.180 120.200 0.015 0.000 2.070 1469 E HA -0.229 4.121 4.350 0.000 0.000 0.197 1469 E C 2.236 178.847 176.600 0.019 0.000 1.004 1469 E CA 2.109 58.525 56.400 0.025 0.000 0.805 1469 E CB -0.286 29.441 29.700 0.045 0.000 0.744 1469 E HN 0.534 nan 8.360 nan 0.000 0.451 1470 T N -1.366 113.208 114.554 0.034 0.000 2.737 1470 T HA -0.155 4.195 4.350 0.000 0.000 0.265 1470 T C 2.130 176.830 174.700 0.001 0.000 1.038 1470 T CA 1.392 63.521 62.100 0.048 0.000 1.144 1470 T CB -0.422 68.489 68.868 0.072 0.000 0.866 1470 T HN 0.074 nan 8.240 nan 0.000 0.434 1471 S N 1.669 117.356 115.700 -0.021 0.000 2.372 1471 S HA -0.240 4.230 4.470 0.000 0.000 0.227 1471 S C 1.834 176.392 174.600 -0.069 0.000 1.044 1471 S CA 1.997 60.174 58.200 -0.039 0.000 1.050 1471 S CB -1.095 62.089 63.200 -0.027 0.000 0.901 1471 S HN 0.563 nan 8.310 nan 0.000 0.447 1472 D N 0.938 121.236 120.400 -0.169 0.000 2.104 1472 D HA -0.118 4.522 4.640 0.000 0.000 0.194 1472 D C 1.993 177.908 176.300 -0.643 0.000 0.994 1472 D CA 1.284 54.998 54.000 -0.477 0.000 0.830 1472 D CB -0.701 39.782 40.800 -0.529 0.000 0.959 1472 D HN 0.668 nan 8.370 nan 0.000 0.452 1473 E N 0.439 120.475 120.200 -0.272 0.000 2.086 1473 E HA -0.237 4.113 4.350 0.000 0.000 0.200 1473 E C 1.752 178.381 176.600 0.047 0.000 1.012 1473 E CA 1.493 57.878 56.400 -0.024 0.000 0.812 1473 E CB -0.038 29.721 29.700 0.098 0.000 0.743 1473 E HN 0.204 nan 8.360 nan 0.000 0.453 1474 A N -0.272 122.582 122.820 0.057 0.000 2.123 1474 A HA -0.006 4.314 4.320 0.000 0.000 0.214 1474 A C 2.129 179.771 177.584 0.097 0.000 1.152 1474 A CA 1.138 53.258 52.037 0.138 0.000 0.728 1474 A CB -0.156 18.961 19.000 0.194 0.000 0.814 1474 A HN 0.288 nan 8.150 nan 0.000 0.464 1475 T N -0.395 114.138 114.554 -0.034 0.000 2.942 1475 T HA -0.003 4.347 4.350 0.000 0.000 0.265 1475 T C 1.418 176.050 174.700 -0.114 0.000 1.062 1475 T CA 0.952 62.934 62.100 -0.198 0.000 1.139 1475 T CB -0.348 68.414 68.868 -0.177 0.000 0.883 1475 T HN 0.364 nan 8.240 nan 0.000 0.468 1476 F N 2.304 122.240 119.950 -0.023 0.000 2.051 1476 F HA 0.041 4.569 4.527 0.000 0.000 0.296 1476 F C 2.747 178.521 175.800 -0.042 0.000 1.122 1476 F CA 0.350 58.328 58.000 -0.035 0.000 1.201 1476 F CB -1.526 37.477 39.000 0.005 0.000 0.978 1476 F HN 0.138 nan 8.300 nan 0.000 0.472 1477 A N 0.015 122.972 122.820 0.229 0.000 1.869 1477 A HA -0.299 4.021 4.320 0.000 0.000 0.218 1477 A C 2.184 179.841 177.584 0.121 0.000 1.203 1477 A CA 1.998 54.137 52.037 0.170 0.000 0.638 1477 A CB -1.614 17.502 19.000 0.194 0.000 0.831 1477 A HN 0.345 nan 8.150 nan 0.000 0.450 1478 F N 0.910 120.819 119.950 -0.069 0.000 2.216 1478 F HA -0.021 4.506 4.527 0.000 0.000 0.300 1478 F C 2.478 178.146 175.800 -0.219 0.000 1.085 1478 F CA 0.792 58.707 58.000 -0.142 0.000 1.326 1478 F CB -0.592 38.268 39.000 -0.234 0.000 1.027 1478 F HN 0.246 nan 8.300 nan 0.000 0.497 1479 A N -0.068 122.558 122.820 -0.324 0.000 1.969 1479 A HA 0.055 4.375 4.320 0.000 0.000 0.218 1479 A C 2.395 179.743 177.584 -0.393 0.000 1.169 1479 A CA 1.556 53.358 52.037 -0.391 0.000 0.635 1479 A CB -1.304 17.572 19.000 -0.206 0.000 0.810 1479 A HN 0.434 nan 8.150 nan 0.000 0.445 1480 A N -1.325 121.268 122.820 -0.378 0.000 1.898 1480 A HA -0.049 4.271 4.320 0.000 0.000 0.214 1480 A C 2.101 179.065 177.584 -1.032 0.000 1.183 1480 A CA 1.243 52.855 52.037 -0.708 0.000 0.622 1480 A CB -0.420 18.256 19.000 -0.541 0.000 0.824 1480 A HN 0.419 nan 8.150 nan 0.000 0.444 1481 Q N 0.282 119.773 119.800 -0.515 0.000 2.029 1481 Q HA -0.220 4.120 4.340 0.000 0.000 0.209 1481 Q C 2.175 178.004 176.000 -0.285 0.000 0.999 1481 Q CA 1.913 57.573 55.803 -0.239 0.000 0.857 1481 Q CB -0.803 27.941 28.738 0.011 0.000 0.926 1481 Q HN 0.717 nan 8.270 nan 0.000 0.415 1482 L N 0.544 121.529 121.223 -0.396 0.000 2.079 1482 L HA -0.208 4.132 4.340 0.000 0.000 0.210 1482 L C 2.528 179.214 176.870 -0.307 0.000 1.081 1482 L CA 1.499 56.129 54.840 -0.350 0.000 0.752 1482 L CB -0.529 41.260 42.059 -0.450 0.000 0.896 1482 L HN 0.320 nan 8.230 nan 0.000 0.433 1483 E N 0.523 120.484 120.200 -0.399 0.000 2.072 1483 E HA -0.200 4.150 4.350 0.000 0.000 0.191 1483 E C 2.251 178.742 176.600 -0.181 0.000 0.985 1483 E CA 1.187 57.382 56.400 -0.341 0.000 0.801 1483 E CB -0.152 29.360 29.700 -0.313 0.000 0.750 1483 E HN 0.497 nan 8.360 nan 0.000 0.452 1484 F N 0.559 120.479 119.950 -0.049 0.000 2.161 1484 F HA -0.141 4.386 4.527 0.000 0.000 0.300 1484 F C 2.376 178.167 175.800 -0.016 0.000 1.089 1484 F CA 0.314 58.316 58.000 0.003 0.000 1.282 1484 F CB -0.140 38.884 39.000 0.040 0.000 1.010 1484 F HN 0.129 nan 8.300 nan 0.000 0.485 1485 A N -0.642 122.246 122.820 0.114 0.000 2.239 1485 A HA -0.100 4.221 4.320 0.000 0.000 0.209 1485 A C 1.347 178.932 177.584 0.002 0.000 1.171 1485 A CA 1.004 53.092 52.037 0.085 0.000 0.768 1485 A CB -0.443 18.616 19.000 0.099 0.000 0.790 1485 A HN 0.465 nan 8.150 nan 0.000 0.478 1486 Q N -3.080 116.635 119.800 -0.142 0.000 2.393 1486 Q HA -0.141 4.199 4.340 0.000 0.000 0.211 1486 Q C -0.302 175.455 176.000 -0.405 0.000 0.653 1486 Q CA 0.902 56.517 55.803 -0.315 0.000 1.331 1486 Q CB -2.356 26.352 28.738 -0.049 0.000 1.349 1486 Q HN 0.567 nan 8.270 nan 0.000 0.824 1487 L N 1.721 122.769 121.223 -0.293 0.000 2.648 1487 L HA 0.175 4.515 4.340 0.000 0.000 0.238 1487 L C 1.233 178.004 176.870 -0.164 0.000 1.316 1487 L CA -0.407 54.337 54.840 -0.159 0.000 1.241 1487 L CB -0.112 41.894 42.059 -0.088 0.000 1.499 1487 L HN 0.294 nan 8.230 nan 0.000 0.411 1488 H N 0.925 120.000 119.070 0.009 0.000 2.489 1488 H HA -0.113 4.443 4.556 0.000 0.000 0.295 1488 H C 1.942 177.278 175.328 0.014 0.000 1.082 1488 H CA 1.118 57.164 56.048 -0.003 0.000 1.295 1488 H CB 0.083 29.850 29.762 0.008 0.000 1.380 1488 H HN 0.647 nan 8.280 nan 0.000 0.548 1489 G N 0.649 109.530 108.800 0.135 0.000 2.552 1489 G HA2 -0.298 3.662 3.960 0.000 0.000 0.216 1489 G HA3 -0.298 3.662 3.960 0.000 0.000 0.216 1489 G C 1.599 176.563 174.900 0.106 0.000 1.240 1489 G CA 0.843 46.010 45.100 0.112 0.000 0.796 1489 G HN 0.446 nan 8.290 nan 0.000 0.568 1490 H N 0.362 119.430 119.070 -0.003 0.000 2.421 1490 H HA -0.083 4.473 4.556 0.000 0.000 0.298 1490 H C 2.861 178.154 175.328 -0.059 0.000 1.087 1490 H CA 1.569 57.612 56.048 -0.008 0.000 1.330 1490 H CB -0.113 29.617 29.762 -0.052 0.000 1.388 1490 H HN 0.392 nan 8.280 nan 0.000 0.526 1491 S N 0.114 115.789 115.700 -0.042 0.000 2.359 1491 S HA -0.148 4.322 4.470 0.000 0.000 0.224 1491 S C 2.239 176.782 174.600 -0.095 0.000 1.035 1491 S CA 1.195 59.299 58.200 -0.159 0.000 1.018 1491 S CB -0.391 62.725 63.200 -0.141 0.000 0.876 1491 S HN 0.297 nan 8.310 nan 0.000 0.448 1492 L N 0.821 122.047 121.223 0.005 0.000 2.017 1492 L HA 0.065 4.405 4.340 0.000 0.000 0.208 1492 L C 2.064 178.960 176.870 0.043 0.000 1.073 1492 L CA 2.022 56.883 54.840 0.036 0.000 0.745 1492 L CB -1.341 40.766 42.059 0.080 0.000 0.894 1492 L HN 0.539 nan 8.230 nan 0.000 0.432 1493 F N -0.938 118.959 119.950 -0.088 0.000 2.095 1493 F HA -0.255 4.272 4.527 0.000 0.000 0.298 1493 F C 2.185 178.012 175.800 0.044 0.000 1.104 1493 F CA 1.988 59.954 58.000 -0.056 0.000 1.232 1493 F CB -0.254 38.643 39.000 -0.171 0.000 0.987 1493 F HN -0.081 nan 8.300 nan 0.000 0.475 1494 V N -0.355 119.476 119.914 -0.138 0.000 2.358 1494 V HA -0.280 3.840 4.120 0.000 0.000 0.246 1494 V C 2.390 178.384 176.094 -0.168 0.000 1.047 1494 V CA 1.989 64.085 62.300 -0.342 0.000 1.035 1494 V CB -0.995 30.423 31.823 -0.675 0.000 0.658 1494 V HN 0.367 nan 8.190 nan 0.000 0.452 1495 S N -0.557 115.063 115.700 -0.133 0.000 2.402 1495 S HA -0.264 4.206 4.470 0.000 0.000 0.233 1495 S C 2.050 176.640 174.600 -0.018 0.000 1.030 1495 S CA 1.765 59.934 58.200 -0.052 0.000 1.003 1495 S CB -0.706 62.477 63.200 -0.029 0.000 0.813 1495 S HN 0.697 nan 8.310 nan 0.000 0.477 1496 C N 0.786 120.050 119.300 -0.060 0.000 2.403 1496 C HA -0.093 4.367 4.460 0.000 0.000 0.277 1496 C C 1.849 176.750 174.990 -0.147 0.000 1.248 1496 C CA 0.241 59.173 59.018 -0.142 0.000 1.762 1496 C CB -1.797 25.746 27.740 -0.328 0.000 2.014 1496 C HN 0.532 nan 8.230 nan 0.000 0.486 1497 F N 1.236 121.089 119.950 -0.162 0.000 2.772 1497 F HA 0.189 4.716 4.527 0.000 0.000 0.302 1497 F C 0.962 176.751 175.800 -0.019 0.000 1.225 1497 F CA 0.288 58.268 58.000 -0.034 0.000 1.429 1497 F CB -0.895 38.201 39.000 0.159 0.000 1.104 1497 F HN 0.179 nan 8.300 nan 0.000 0.550 1498 L N 0.336 121.596 121.223 0.062 0.000 2.349 1498 L HA 0.143 4.483 4.340 0.000 0.000 0.275 1498 L C 0.810 177.686 176.870 0.011 0.000 1.115 1498 L CA -0.148 54.698 54.840 0.010 0.000 0.820 1498 L CB 0.828 42.908 42.059 0.035 0.000 1.135 1498 L HN 0.007 nan 8.230 nan 0.000 0.445 1499 N N 0.015 118.713 118.700 -0.003 0.000 2.325 1499 N HA -0.029 4.711 4.740 0.000 0.000 0.182 1499 N C -0.186 175.336 175.510 0.020 0.000 1.088 1499 N CA 0.207 53.261 53.050 0.007 0.000 0.879 1499 N CB 0.169 38.656 38.487 -0.000 0.000 0.983 1499 N HN 0.451 nan 8.380 nan 0.000 0.471 1500 D N 0.675 121.099 120.400 0.039 0.000 2.396 1500 D HA 0.070 4.710 4.640 0.000 0.000 0.225 1500 D C 0.012 176.342 176.300 0.050 0.000 1.121 1500 D CA -0.208 53.827 54.000 0.059 0.000 0.853 1500 D CB 0.806 41.669 40.800 0.105 0.000 1.043 1500 D HN -0.050 nan 8.370 nan 0.000 0.500 1501 D N 2.919 123.341 120.400 0.035 0.000 2.117 1501 D HA -0.185 4.455 4.640 0.000 0.000 0.197 1501 D C 1.573 177.872 176.300 -0.003 0.000 0.987 1501 D CA 1.014 55.029 54.000 0.025 0.000 0.829 1501 D CB 0.216 41.040 40.800 0.040 0.000 0.961 1501 D HN 0.341 nan 8.370 nan 0.000 0.460 1502 K N 0.912 121.319 120.400 0.012 0.000 2.209 1502 K HA -0.024 4.296 4.320 0.000 0.000 0.204 1502 K C 1.690 178.278 176.600 -0.019 0.000 1.048 1502 K CA 1.157 57.442 56.287 -0.003 0.000 0.940 1502 K CB -0.307 32.206 32.500 0.022 0.000 0.729 1502 K HN 0.067 nan 8.250 nan 0.000 0.451 1503 A N 0.285 123.116 122.820 0.019 0.000 1.855 1503 A HA 0.111 4.431 4.320 0.000 0.000 0.213 1503 A C 2.365 179.944 177.584 -0.008 0.000 1.195 1503 A CA 1.496 53.557 52.037 0.041 0.000 0.610 1503 A CB -1.164 17.936 19.000 0.167 0.000 0.837 1503 A HN 0.341 nan 8.150 nan 0.000 0.444 1504 A N 0.132 122.945 122.820 -0.012 0.000 1.884 1504 A HA -0.311 4.009 4.320 0.000 0.000 0.219 1504 A C 2.035 179.472 177.584 -0.246 0.000 1.197 1504 A CA 2.300 54.297 52.037 -0.066 0.000 0.637 1504 A CB -0.895 18.081 19.000 -0.040 0.000 0.827 1504 A HN 0.712 nan 8.150 nan 0.000 0.450 1505 E N -0.718 119.203 120.200 -0.465 0.000 2.065 1505 E HA -0.325 4.025 4.350 0.000 0.000 0.201 1505 E C 1.809 178.127 176.600 -0.470 0.000 1.016 1505 E CA 1.754 57.576 56.400 -0.964 0.000 0.818 1505 E CB -0.261 28.977 29.700 -0.770 0.000 0.749 1505 E HN 0.598 nan 8.360 nan 0.000 0.453 1506 D N -0.807 119.457 120.400 -0.226 0.000 2.097 1506 D HA -0.109 4.531 4.640 0.000 0.000 0.197 1506 D C 1.908 178.163 176.300 -0.074 0.000 0.984 1506 D CA 1.717 55.654 54.000 -0.104 0.000 0.826 1506 D CB -0.224 40.540 40.800 -0.060 0.000 0.973 1506 D HN 0.185 nan 8.370 nan 0.000 0.460 1507 T N 0.932 115.442 114.554 -0.073 0.000 2.684 1507 T HA -0.114 4.236 4.350 0.000 0.000 0.267 1507 T C 2.204 176.889 174.700 -0.025 0.000 1.036 1507 T CA 1.190 63.266 62.100 -0.040 0.000 1.148 1507 T CB -0.163 68.700 68.868 -0.009 0.000 0.863 1507 T HN 0.194 nan 8.240 nan 0.000 0.436 1508 I N 0.684 121.231 120.570 -0.038 0.000 2.163 1508 I HA -0.141 4.029 4.170 0.000 0.000 0.240 1508 I C 2.627 178.783 176.117 0.066 0.000 1.081 1508 I CA 1.269 62.585 61.300 0.027 0.000 1.353 1508 I CB -0.437 37.612 38.000 0.082 0.000 1.054 1508 I HN 0.157 nan 8.210 nan 0.000 0.407 1509 K N 1.440 121.875 120.400 0.058 0.000 1.987 1509 K HA -0.282 4.038 4.320 0.000 0.000 0.216 1509 K C 2.463 179.118 176.600 0.092 0.000 1.051 1509 K CA 1.946 58.310 56.287 0.128 0.000 0.942 1509 K CB -0.255 32.319 32.500 0.123 0.000 0.722 1509 K HN 0.112 nan 8.250 nan 0.000 0.444 1510 R N 0.563 121.096 120.500 0.055 0.000 2.103 1510 R HA -0.181 4.159 4.340 0.000 0.000 0.242 1510 R C 2.493 178.787 176.300 -0.009 0.000 1.142 1510 R CA 1.659 57.778 56.100 0.032 0.000 0.960 1510 R CB -0.421 29.884 30.300 0.008 0.000 0.858 1510 R HN 0.304 nan 8.270 nan 0.000 0.439 1511 L N 0.834 122.055 121.223 -0.003 0.000 2.079 1511 L HA -0.053 4.287 4.340 0.000 0.000 0.210 1511 L C 0.744 177.593 176.870 -0.034 0.000 1.081 1511 L CA 1.409 56.238 54.840 -0.018 0.000 0.752 1511 L CB -0.159 41.910 42.059 0.016 0.000 0.896 1511 L HN -0.090 nan 8.230 nan 0.000 0.433 1515 E N 2.694 122.836 120.200 -0.097 0.000 2.561 1515 E HA 0.191 4.541 4.350 0.000 0.000 0.225 1515 E C 0.872 177.424 176.600 -0.080 0.000 1.035 1515 E CA -0.008 56.292 56.400 -0.168 0.000 0.904 1515 E CB 1.263 30.660 29.700 -0.505 0.000 1.291 1515 E HN 0.536 nan 8.360 nan 0.000 0.444 1516 I N -2.497 118.057 120.570 -0.027 0.000 2.685 1516 I HA 0.003 4.173 4.170 0.000 0.000 0.251 1516 I C 1.605 177.709 176.117 -0.021 0.000 1.102 1516 I CA 0.224 61.517 61.300 -0.011 0.000 1.442 1516 I CB -0.263 37.739 38.000 0.003 0.000 1.194 1516 I HN -0.115 nan 8.210 nan 0.000 0.448 1517 T N 2.119 116.644 114.554 -0.048 0.000 3.025 1517 T HA -0.041 4.310 4.350 0.000 0.000 0.270 1517 T C 1.651 176.337 174.700 -0.023 0.000 1.126 1517 T CA 1.325 63.398 62.100 -0.045 0.000 1.105 1517 T CB -0.219 68.603 68.868 -0.077 0.000 0.884 1517 T HN 0.232 nan 8.240 nan 0.000 0.522 1518 L N -0.093 121.120 121.223 -0.016 0.000 2.513 1518 L HA 0.401 4.741 4.340 0.000 0.000 0.222 1518 L C 0.702 177.591 176.870 0.031 0.000 1.096 1518 L CA 0.899 55.748 54.840 0.015 0.000 0.857 1518 L CB 0.111 42.195 42.059 0.041 0.000 1.026 1518 L HN 0.183 nan 8.230 nan 0.000 0.469 1519 L N 0.933 122.168 121.223 0.021 0.000 2.956 1519 L HA 0.334 4.674 4.340 0.000 0.000 0.232 1519 L C 0.109 177.001 176.870 0.037 0.000 1.291 1519 L CA -0.266 54.597 54.840 0.038 0.000 1.122 1519 L CB -0.292 41.793 42.059 0.043 0.000 1.461 1519 L HN 0.081 nan 8.230 nan 0.000 0.470 1520 R N -0.116 120.393 120.500 0.015 0.000 3.076 1520 R HA 0.575 4.915 4.340 0.000 0.000 0.239 1520 R C 1.005 177.250 176.300 -0.091 0.000 1.392 1520 R CA -0.000 56.103 56.100 0.005 0.000 1.044 1520 R CB 0.732 31.036 30.300 0.007 0.000 1.389 1520 R HN 0.100 nan 8.270 nan 0.000 0.498 1521 A N 0.129 122.837 122.820 -0.187 0.000 2.024 1521 A HA -0.154 4.166 4.320 0.000 0.000 0.220 1521 A C 1.929 179.373 177.584 -0.233 0.000 1.164 1521 A CA 2.330 54.093 52.037 -0.457 0.000 0.643 1521 A CB -0.516 18.243 19.000 -0.401 0.000 0.806 1521 A HN 0.569 nan 8.150 nan 0.000 0.451 1522 S N -0.814 114.817 115.700 -0.115 0.000 2.493 1522 S HA -0.053 4.417 4.470 0.000 0.000 0.243 1522 S C 0.333 174.902 174.600 -0.052 0.000 0.991 1522 S CA 1.352 59.513 58.200 -0.065 0.000 0.957 1522 S CB -0.338 62.842 63.200 -0.034 0.000 0.756 1522 S HN 0.563 nan 8.310 nan 0.000 0.521 1523 T N 2.666 117.182 114.554 -0.064 0.000 2.991 1523 T HA 0.361 4.712 4.350 0.000 0.000 0.347 1523 T C -0.546 174.130 174.700 -0.040 0.000 1.122 1523 T CA -0.620 61.462 62.100 -0.030 0.000 1.062 1523 T CB 0.335 69.203 68.868 0.000 0.000 1.043 1523 T HN 0.484 nan 8.240 nan 0.000 0.491 1524 N N 3.398 122.079 118.700 -0.031 0.000 2.671 1524 N HA -0.152 4.588 4.740 0.000 0.000 0.261 1524 N C -1.147 174.349 175.510 -0.023 0.000 1.053 1524 N CA -0.129 52.912 53.050 -0.015 0.000 0.732 1524 N CB -0.689 37.803 38.487 0.007 0.000 0.887 1524 N HN 0.676 nan 8.380 nan 0.000 0.546 1525 D N 0.582 120.946 120.400 -0.062 0.000 2.802 1525 D HA -0.191 4.449 4.640 0.000 0.000 0.229 1525 D C -0.426 175.912 176.300 0.064 0.000 1.203 1525 D CA 1.613 55.599 54.000 -0.022 0.000 0.712 1525 D CB -1.301 39.537 40.800 0.064 0.000 0.973 1525 D HN 0.740 nan 8.370 nan 0.000 0.407 1526 H N -1.691 117.392 119.070 0.021 0.000 2.794 1526 H HA -0.196 4.360 4.556 0.000 0.000 0.324 1526 H C 1.657 177.001 175.328 0.026 0.000 1.037 1526 H CA 0.590 56.652 56.048 0.024 0.000 1.062 1526 H CB -1.213 28.562 29.762 0.021 0.000 1.622 1526 H HN 0.427 nan 8.280 nan 0.000 0.371 1527 I N 0.993 121.617 120.570 0.091 0.000 2.286 1527 I HA -0.287 3.883 4.170 0.000 0.000 0.248 1527 I C 2.547 178.719 176.117 0.091 0.000 1.115 1527 I CA 1.897 63.242 61.300 0.076 0.000 1.392 1527 I CB -0.249 37.786 38.000 0.058 0.000 1.065 1527 I HN 0.591 nan 8.210 nan 0.000 0.418 1528 L N -1.206 120.077 121.223 0.100 0.000 2.201 1528 L HA -0.053 4.287 4.340 0.000 0.000 0.212 1528 L C 1.939 178.856 176.870 0.078 0.000 1.105 1528 L CA 1.415 56.309 54.840 0.090 0.000 0.775 1528 L CB -0.719 41.392 42.059 0.086 0.000 0.913 1528 L HN 0.148 nan 8.230 nan 0.000 0.440 1529 N N 1.341 120.094 118.700 0.089 0.000 2.333 1529 N HA -0.042 4.699 4.740 0.000 0.000 0.178 1529 N C 1.754 177.291 175.510 0.044 0.000 1.018 1529 N CA 1.018 54.098 53.050 0.051 0.000 0.882 1529 N CB -0.215 38.288 38.487 0.026 0.000 0.984 1529 N HN 0.448 nan 8.380 nan 0.000 0.434 1530 R N 0.297 120.835 120.500 0.064 0.000 2.339 1530 R HA 0.169 4.509 4.340 0.000 0.000 0.199 1530 R C 0.997 177.329 176.300 0.054 0.000 1.018 1530 R CA 0.389 56.521 56.100 0.053 0.000 1.036 1530 R CB -0.006 30.327 30.300 0.056 0.000 0.899 1530 R HN 0.186 nan 8.270 nan 0.000 0.473 1531 L N -0.115 121.144 121.223 0.060 0.000 2.766 1531 L HA 0.182 4.522 4.340 0.000 0.000 0.242 1531 L C 0.469 177.358 176.870 0.033 0.000 1.136 1531 L CA -0.173 54.706 54.840 0.065 0.000 0.933 1531 L CB 0.247 42.362 42.059 0.093 0.000 1.241 1531 L HN 0.083 nan 8.230 nan 0.000 0.522 1532 K N 1.281 121.692 120.400 0.019 0.000 3.192 1532 K HA -0.184 4.136 4.320 0.000 0.000 0.278 1532 K C -0.081 176.511 176.600 -0.012 0.000 1.164 1532 K CA 0.079 56.364 56.287 -0.004 0.000 0.816 1532 K CB -1.042 31.451 32.500 -0.011 0.000 1.256 1532 K HN 0.257 nan 8.250 nan 0.000 0.497 1533 I N 2.146 122.718 120.570 0.004 0.000 2.533 1533 I HA 0.085 4.255 4.170 0.000 0.000 0.284 1533 I C -1.588 174.497 176.117 -0.055 0.000 1.109 1533 I CA -1.907 59.390 61.300 -0.005 0.000 1.412 1533 I CB 0.552 38.576 38.000 0.041 0.000 1.396 1533 I HN 0.099 nan 8.210 nan 0.000 0.543 1534 P HA -0.052 nan 4.420 nan 0.000 0.263 1534 P C 0.381 177.633 177.300 -0.080 0.000 1.168 1534 P CA 0.391 63.385 63.100 -0.176 0.000 0.759 1534 P CB 0.510 31.994 31.700 -0.359 0.000 0.782 1535 S N 1.976 117.638 115.700 -0.063 0.000 2.368 1535 S HA -0.207 4.263 4.470 0.000 0.000 0.225 1535 S C 1.756 176.363 174.600 0.012 0.000 1.030 1535 S CA 1.287 59.471 58.200 -0.026 0.000 0.999 1535 S CB -0.424 62.748 63.200 -0.048 0.000 0.844 1535 S HN 0.563 nan 8.310 nan 0.000 0.459 1536 Q N 0.936 120.731 119.800 -0.009 0.000 2.170 1536 Q HA -0.019 4.322 4.340 0.000 0.000 0.203 1536 Q C 1.985 178.039 176.000 0.091 0.000 0.976 1536 Q CA 0.907 56.736 55.803 0.043 0.000 0.858 1536 Q CB -0.465 28.278 28.738 0.009 0.000 0.907 1536 Q HN 0.426 nan 8.270 nan 0.000 0.433 1537 L N -0.162 121.085 121.223 0.039 0.000 2.017 1537 L HA -0.101 4.239 4.340 0.000 0.000 0.208 1537 L C 1.895 178.820 176.870 0.091 0.000 1.073 1537 L CA 1.670 56.552 54.840 0.070 0.000 0.745 1537 L CB -0.550 41.538 42.059 0.048 0.000 0.894 1537 L HN 0.362 nan 8.230 nan 0.000 0.432 1538 I N -1.462 119.160 120.570 0.087 0.000 2.099 1538 I HA -0.340 3.830 4.170 0.000 0.000 0.239 1538 I C 2.393 178.577 176.117 0.111 0.000 1.066 1538 I CA 1.788 63.143 61.300 0.092 0.000 1.324 1538 I CB -0.568 37.484 38.000 0.087 0.000 1.037 1538 I HN 0.249 nan 8.210 nan 0.000 0.401 1539 F N 2.425 122.377 119.950 0.002 0.000 2.161 1539 F HA -0.249 4.278 4.527 0.000 0.000 0.300 1539 F C 2.232 178.035 175.800 0.004 0.000 1.089 1539 F CA 1.734 59.734 58.000 -0.000 0.000 1.282 1539 F CB -0.404 38.592 39.000 -0.008 0.000 1.010 1539 F HN 0.106 nan 8.300 nan 0.000 0.485 1540 N N 0.312 119.072 118.700 0.101 0.000 2.244 1540 N HA -0.101 4.639 4.740 0.000 0.000 0.183 1540 N C 1.814 177.291 175.510 -0.055 0.000 1.016 1540 N CA 1.395 54.455 53.050 0.017 0.000 0.866 1540 N CB -0.595 37.938 38.487 0.076 0.000 0.980 1540 N HN 0.424 nan 8.380 nan 0.000 0.430 1541 A N 0.201 123.009 122.820 -0.021 0.000 1.924 1541 A HA -0.005 4.315 4.320 0.000 0.000 0.211 1541 A C 2.140 179.696 177.584 -0.046 0.000 1.198 1541 A CA 0.802 52.838 52.037 -0.002 0.000 0.657 1541 A CB -0.529 18.504 19.000 0.055 0.000 0.852 1541 A HN 0.194 nan 8.150 nan 0.000 0.454 1542 Q N 0.649 120.402 119.800 -0.079 0.000 2.062 1542 Q HA -0.170 4.170 4.340 0.000 0.000 0.209 1542 Q C 1.846 177.749 176.000 -0.162 0.000 0.996 1542 Q CA 2.804 58.544 55.803 -0.105 0.000 0.859 1542 Q CB -0.550 28.126 28.738 -0.102 0.000 0.920 1542 Q HN 0.539 nan 8.270 nan 0.000 0.415 1543 A N -0.589 122.064 122.820 -0.278 0.000 2.123 1543 A HA 0.054 4.374 4.320 0.000 0.000 0.214 1543 A C 1.885 179.368 177.584 -0.169 0.000 1.152 1543 A CA 0.733 52.605 52.037 -0.274 0.000 0.728 1543 A CB -0.491 18.233 19.000 -0.460 0.000 0.814 1543 A HN 0.474 nan 8.150 nan 0.000 0.464 1544 L N 0.057 121.201 121.223 -0.132 0.000 2.005 1544 L HA -0.073 4.268 4.340 0.000 0.000 0.207 1544 L C 2.262 179.125 176.870 -0.012 0.000 1.072 1544 L CA 2.517 57.311 54.840 -0.078 0.000 0.744 1544 L CB -0.410 41.613 42.059 -0.060 0.000 0.895 1544 L HN 0.380 nan 8.230 nan 0.000 0.433 1545 K N -0.877 119.517 120.400 -0.009 0.000 2.097 1545 K HA -0.180 4.141 4.320 0.000 0.000 0.205 1545 K C 1.718 178.281 176.600 -0.062 0.000 1.050 1545 K CA 1.540 57.767 56.287 -0.100 0.000 0.938 1545 K CB -0.133 32.209 32.500 -0.263 0.000 0.718 1545 K HN 0.397 nan 8.250 nan 0.000 0.442 1546 D N 0.381 120.737 120.400 -0.073 0.000 2.144 1546 D HA -0.178 4.462 4.640 0.000 0.000 0.199 1546 D C 1.935 178.207 176.300 -0.046 0.000 0.984 1546 D CA 0.995 54.955 54.000 -0.067 0.000 0.834 1546 D CB -0.062 40.687 40.800 -0.085 0.000 0.955 1546 D HN 0.174 nan 8.370 nan 0.000 0.465 1547 R N -0.231 120.247 120.500 -0.036 0.000 2.152 1547 R HA -0.184 4.156 4.340 0.000 0.000 0.232 1547 R C 2.155 178.462 176.300 0.011 0.000 1.117 1547 R CA 1.017 57.101 56.100 -0.026 0.000 0.981 1547 R CB -0.591 29.685 30.300 -0.039 0.000 0.870 1547 R HN 0.278 nan 8.270 nan 0.000 0.451 1548 Y N 0.817 121.068 120.300 -0.082 0.000 2.153 1548 Y HA 0.055 4.606 4.550 0.000 0.000 0.289 1548 Y C 1.516 177.380 175.900 -0.059 0.000 1.119 1548 Y CA 1.677 59.740 58.100 -0.063 0.000 1.116 1548 Y CB -0.123 38.309 38.460 -0.048 0.000 1.004 1548 Y HN 0.123 nan 8.280 nan 0.000 0.501 1549 E N -0.003 120.093 120.200 -0.173 0.000 2.396 1549 E HA -0.137 4.213 4.350 0.000 0.000 0.200 1549 E C 2.100 178.616 176.600 -0.140 0.000 1.023 1549 E CA 0.593 56.858 56.400 -0.226 0.000 0.857 1549 E CB -0.279 29.365 29.700 -0.094 0.000 0.775 1549 E HN 0.717 nan 8.360 nan 0.000 0.525 1550 G N 1.870 110.595 108.800 -0.125 0.000 2.424 1550 G HA2 -0.218 3.742 3.960 0.000 0.000 0.214 1550 G HA3 -0.218 3.742 3.960 0.000 0.000 0.214 1550 G C 1.412 176.243 174.900 -0.115 0.000 1.202 1550 G CA 0.221 45.264 45.100 -0.094 0.000 0.793 1550 G HN 0.156 nan 8.290 nan 0.000 0.534 1551 N N -0.286 118.327 118.700 -0.144 0.000 2.289 1551 N HA -0.119 4.621 4.740 0.000 0.000 0.184 1551 N C 1.758 177.161 175.510 -0.178 0.000 1.016 1551 N CA 1.018 53.977 53.050 -0.152 0.000 0.872 1551 N CB -0.265 38.140 38.487 -0.136 0.000 0.973 1551 N HN 0.532 nan 8.380 nan 0.000 0.433 1552 Y N 1.296 121.371 120.300 -0.375 0.000 2.231 1552 Y HA 0.147 4.697 4.550 0.000 0.000 0.294 1552 Y C 1.192 176.962 175.900 -0.216 0.000 1.120 1552 Y CA 0.423 58.309 58.100 -0.356 0.000 1.141 1552 Y CB -0.062 38.053 38.460 -0.575 0.000 1.022 1552 Y HN -0.145 nan 8.280 nan 0.000 0.523 1553 L N 0.000 121.183 121.223 -0.066 0.000 2.949 1553 L HA 0.000 4.340 4.340 0.000 0.000 0.249 1553 L CA 0.000 54.785 54.840 -0.092 0.000 0.813 1553 L CB 0.000 42.055 42.059 -0.007 0.000 0.961 1553 L HN 0.000 nan 8.230 nan 0.000 0.502