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 1e3h_1_A DATA FIRST_RESID 3 DATA SEQUENCE NETHYAEAVI DNGAFGTRTI RFETGRLARQ AAGSAVAYLD DDTXVLSATT DATA SEQUENCE ASKNPKDQLD FFPLTVDVEE RXYAAGKIPG SFFRREGRPS EDAILTCRLI DATA SEQUENCE DRPLRPSFKK GLRNEIQVVA TIXALNPDHL YDVVAINAAS ASTQLAGLPF DATA SEQUENCE SGPIGGVRVA LIRGQWVAFP THTELEDAVF DXVVAGRVLE DGDVAIXXVE DATA SEQUENCE AEATEKTIQL VKDGAEAPTE EVVAAGLDAA KPFIKVLCKA QADLAAKAAK DATA SEQUENCE PTGEFPVFLD YQDDVLEALS AAVRPELSAA LTIAGKQDRE AELDRVKALA DATA SEQUENCE AEKLLPEFEG REKEISAAYR ALTKSLVRER VIAEKKRIDG RGVTDIRTLA DATA SEQUENCE AEVEAIPRVH GSALFERGET QILGVTTLNX LRXEQQLDTL SPVTRKRYXH DATA SEQUENCE NYNFPPYSVG ETGRVGSPKR REIGHGALAE RAIVPVLPTR EEFPYAIRQV DATA SEQUENCE SEALGSNGST SXGSVCASTX SLLNAGVPLK APVAGIAXGL ISQEINGETH DATA SEQUENCE YVALTDILGA EDAFGDXDFK VAGTKEFVTA LQLDTKLDGI PASVLAAALK DATA SEQUENCE QARDARLHIL DVXXEAIDTP DEXSPNAPRI IXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXQIQEDTGA EIXXXXXXXX YIGAADGPAA 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 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.473 175.510 -0.062 0.000 1.280 3 N CA 0.000 53.035 53.050 -0.025 0.000 0.885 3 N CB 0.000 38.478 38.487 -0.016 0.000 1.341 4 E N 0.546 120.672 120.200 -0.123 0.000 2.299 4 E HA 0.497 4.850 4.350 0.005 0.000 0.265 4 E C -0.911 175.416 176.600 -0.456 0.000 0.911 4 E CA -0.310 55.957 56.400 -0.222 0.000 0.789 4 E CB 1.578 31.171 29.700 -0.179 0.000 1.246 4 E HN 0.158 nan 8.360 nan 0.000 0.427 5 T N 2.777 117.087 114.554 -0.406 0.000 2.806 5 T HA 0.318 4.671 4.350 0.005 0.000 0.290 5 T C -0.713 173.604 174.700 -0.639 0.000 0.966 5 T CA -0.535 61.275 62.100 -0.484 0.000 1.060 5 T CB 0.338 69.021 68.868 -0.308 0.000 0.927 5 T HN 0.284 nan 8.240 nan 0.000 0.485 6 H N 1.856 120.734 119.070 -0.320 0.000 2.569 6 H HA 0.512 5.071 4.556 0.005 0.000 0.357 6 H C -0.971 174.128 175.328 -0.380 0.000 1.153 6 H CA -0.494 55.420 56.048 -0.223 0.000 1.193 6 H CB 1.277 30.993 29.762 -0.077 0.000 1.602 6 H HN 0.570 nan 8.280 nan 0.000 0.523 7 Y N -0.428 120.000 120.300 0.214 0.000 2.634 7 Y HA 0.642 5.196 4.550 0.006 0.000 0.340 7 Y C -0.301 175.700 175.900 0.167 0.000 1.058 7 Y CA -0.922 57.286 58.100 0.180 0.000 1.081 7 Y CB 2.069 40.604 38.460 0.125 0.000 1.295 7 Y HN 0.798 nan 8.280 nan 0.000 0.487 8 A N 0.788 123.840 122.820 0.387 0.000 2.594 8 A HA 0.678 5.001 4.320 0.005 0.000 0.296 8 A C -1.726 176.056 177.584 0.329 0.000 1.056 8 A CA -0.914 51.292 52.037 0.282 0.000 0.693 8 A CB 1.470 20.596 19.000 0.209 0.000 1.278 8 A HN 0.686 nan 8.150 nan 0.000 0.408 9 E N 0.208 120.549 120.200 0.234 0.000 2.288 9 E HA 0.664 5.018 4.350 0.005 0.000 0.268 9 E C -0.628 176.091 176.600 0.198 0.000 0.885 9 E CA -0.976 55.545 56.400 0.202 0.000 0.767 9 E CB 2.528 32.290 29.700 0.104 0.000 1.220 9 E HN 0.985 nan 8.360 nan 0.000 0.427 10 A N 2.228 125.163 122.820 0.192 0.000 2.293 10 A HA 0.422 4.745 4.320 0.005 0.000 0.312 10 A C -0.528 177.122 177.584 0.110 0.000 1.309 10 A CA -0.603 51.545 52.037 0.185 0.000 0.839 10 A CB 0.538 19.705 19.000 0.279 0.000 1.155 10 A HN 0.332 nan 8.150 nan 0.000 0.501 11 V N 4.482 124.462 119.914 0.110 0.000 2.455 11 V HA 0.192 4.315 4.120 0.005 0.000 0.273 11 V C -0.099 176.089 176.094 0.157 0.000 1.045 11 V CA -0.153 62.204 62.300 0.095 0.000 0.976 11 V CB 0.804 32.676 31.823 0.081 0.000 0.993 11 V HN 0.647 nan 8.190 nan 0.000 0.475 12 I N 4.246 124.904 120.570 0.148 0.000 2.330 12 I HA 0.334 4.507 4.170 0.005 0.000 0.286 12 I C -0.105 176.150 176.117 0.230 0.000 1.025 12 I CA -0.384 61.068 61.300 0.254 0.000 1.197 12 I CB 1.204 39.299 38.000 0.159 0.000 1.358 12 I HN 0.554 nan 8.210 nan 0.000 0.467 13 D N 5.967 126.562 120.400 0.324 0.000 2.359 13 D HA 0.201 4.845 4.640 0.005 0.000 0.230 13 D C 0.330 176.814 176.300 0.306 0.000 1.118 13 D CA -0.063 54.085 54.000 0.247 0.000 0.844 13 D CB 0.800 41.710 40.800 0.183 0.000 1.059 13 D HN 0.279 nan 8.370 nan 0.000 0.493 14 N N 2.811 121.652 118.700 0.235 0.000 2.273 14 N HA 0.200 4.943 4.740 0.005 0.000 0.231 14 N C 1.153 176.821 175.510 0.263 0.000 1.134 14 N CA 0.297 53.505 53.050 0.264 0.000 0.856 14 N CB 0.903 39.521 38.487 0.219 0.000 1.068 14 N HN 0.705 nan 8.380 nan 0.000 0.510 15 G N 2.023 110.934 108.800 0.184 0.000 2.629 15 G HA2 -0.443 3.520 3.960 0.005 0.000 0.313 15 G HA3 -0.443 3.520 3.960 0.005 0.000 0.313 15 G C 1.107 176.047 174.900 0.067 0.000 1.217 15 G CA 0.853 46.025 45.100 0.120 0.000 0.994 15 G HN 0.412 nan 8.290 nan 0.000 0.549 16 A N -1.086 121.725 122.820 -0.014 0.000 2.076 16 A HA 0.303 4.627 4.320 0.005 0.000 0.220 16 A C 2.088 179.535 177.584 -0.227 0.000 1.160 16 A CA 2.338 54.278 52.037 -0.161 0.000 0.653 16 A CB -0.404 18.422 19.000 -0.291 0.000 0.801 16 A HN 0.789 nan 8.150 nan 0.000 0.455 17 F N -0.482 119.487 119.950 0.032 0.000 2.811 17 F HA 0.377 4.907 4.527 0.006 0.000 0.301 17 F C 1.562 177.381 175.800 0.031 0.000 1.151 17 F CA 0.649 58.665 58.000 0.027 0.000 1.412 17 F CB -0.244 38.771 39.000 0.025 0.000 1.113 17 F HN 0.448 nan 8.300 nan 0.000 0.579 18 G N -0.099 108.796 108.800 0.159 0.000 2.592 18 G HA2 -0.063 3.900 3.960 0.005 0.000 0.684 18 G HA3 -0.063 3.900 3.960 0.005 0.000 0.684 18 G C -0.720 174.249 174.900 0.116 0.000 1.291 18 G CA -0.880 44.288 45.100 0.113 0.000 0.891 18 G HN 0.005 nan 8.290 nan 0.000 0.544 19 T N 1.700 116.303 114.554 0.083 0.000 2.856 19 T HA 0.794 5.148 4.350 0.005 0.000 0.283 19 T C 0.264 174.990 174.700 0.044 0.000 1.008 19 T CA -0.625 61.520 62.100 0.075 0.000 0.997 19 T CB 1.439 70.347 68.868 0.065 0.000 0.992 19 T HN 0.896 nan 8.240 nan 0.000 0.454 20 R N 0.930 121.444 120.500 0.022 0.000 2.888 20 R HA 0.819 5.162 4.340 0.005 0.000 0.264 20 R C -1.401 174.857 176.300 -0.070 0.000 1.045 20 R CA -0.873 55.205 56.100 -0.037 0.000 0.962 20 R CB 0.720 30.968 30.300 -0.087 0.000 1.210 20 R HN 0.534 nan 8.270 nan 0.000 0.479 21 T N 1.164 115.645 114.554 -0.122 0.000 2.916 21 T HA 0.466 4.819 4.350 0.005 0.000 0.298 21 T C -0.421 174.145 174.700 -0.223 0.000 1.031 21 T CA -0.670 61.353 62.100 -0.128 0.000 0.993 21 T CB 1.406 70.236 68.868 -0.064 0.000 1.045 21 T HN 0.343 nan 8.240 nan 0.000 0.454 22 I N 3.011 123.425 120.570 -0.259 0.000 2.330 22 I HA 0.419 4.593 4.170 0.005 0.000 0.289 22 I C 0.365 176.313 176.117 -0.282 0.000 1.001 22 I CA -0.552 60.522 61.300 -0.376 0.000 1.193 22 I CB 1.230 38.942 38.000 -0.479 0.000 1.345 22 I HN 0.497 nan 8.210 nan 0.000 0.461 23 R N 6.238 126.603 120.500 -0.225 0.000 2.393 23 R HA 0.569 4.912 4.340 0.005 0.000 0.310 23 R C -1.512 174.749 176.300 -0.066 0.000 0.968 23 R CA -0.410 55.668 56.100 -0.037 0.000 0.867 23 R CB 1.127 31.458 30.300 0.052 0.000 1.124 23 R HN 0.225 nan 8.270 nan 0.000 0.450 24 F N 1.900 121.989 119.950 0.231 0.000 2.425 24 F HA 0.401 4.931 4.527 0.005 0.000 0.331 24 F C 0.430 176.397 175.800 0.279 0.000 1.085 24 F CA -0.380 57.746 58.000 0.209 0.000 1.028 24 F CB 1.639 40.718 39.000 0.132 0.000 1.177 24 F HN 0.480 nan 8.300 nan 0.000 0.487 25 E N 0.754 121.178 120.200 0.373 0.000 2.356 25 E HA 0.556 4.910 4.350 0.005 0.000 0.275 25 E C -1.723 174.918 176.600 0.068 0.000 0.904 25 E CA -0.578 55.921 56.400 0.164 0.000 0.757 25 E CB 2.539 32.415 29.700 0.294 0.000 1.232 25 E HN 0.648 nan 8.360 nan 0.000 0.442 26 T N 1.220 115.740 114.554 -0.056 0.000 2.942 26 T HA 0.598 4.951 4.350 0.005 0.000 0.327 26 T C 0.115 174.760 174.700 -0.091 0.000 1.360 26 T CA 0.669 62.760 62.100 -0.014 0.000 1.055 26 T CB 1.213 70.115 68.868 0.058 0.000 1.261 26 T HN 0.855 nan 8.240 nan 0.000 0.485 27 G N 3.502 112.264 108.800 -0.062 0.000 2.428 27 G HA2 -0.179 3.784 3.960 0.005 0.000 0.199 27 G HA3 -0.179 3.784 3.960 0.005 0.000 0.199 27 G C 0.840 175.693 174.900 -0.079 0.000 1.005 27 G CA 0.733 45.771 45.100 -0.102 0.000 0.671 27 G HN 0.972 nan 8.290 nan 0.000 0.485 28 R N -0.633 119.831 120.500 -0.060 0.000 2.250 28 R HA 0.635 4.978 4.340 0.005 0.000 0.194 28 R C 0.464 176.763 176.300 -0.001 0.000 0.927 28 R CA 0.019 56.103 56.100 -0.027 0.000 1.052 28 R CB 0.145 30.438 30.300 -0.011 0.000 1.055 28 R HN 0.278 nan 8.270 nan 0.000 0.537 29 L N 1.505 122.732 121.223 0.007 0.000 2.325 29 L HA 0.512 4.856 4.340 0.005 0.000 0.278 29 L C -0.012 176.866 176.870 0.013 0.000 1.023 29 L CA -0.371 54.477 54.840 0.015 0.000 0.811 29 L CB 1.503 43.576 42.059 0.023 0.000 1.249 29 L HN 0.403 nan 8.230 nan 0.000 0.431 30 A N 3.314 126.142 122.820 0.013 0.000 2.362 30 A HA -0.243 4.080 4.320 0.005 0.000 0.290 30 A C 1.373 178.966 177.584 0.015 0.000 1.441 30 A CA 1.012 53.058 52.037 0.014 0.000 0.743 30 A CB -1.417 17.591 19.000 0.015 0.000 1.125 30 A HN 0.814 nan 8.150 nan 0.000 0.378 31 R N -0.652 119.856 120.500 0.013 0.000 2.323 31 R HA -0.039 4.304 4.340 0.005 0.000 0.198 31 R C 1.353 177.664 176.300 0.019 0.000 0.988 31 R CA 1.023 57.132 56.100 0.015 0.000 1.041 31 R CB 0.066 30.371 30.300 0.009 0.000 0.926 31 R HN 0.738 nan 8.270 nan 0.000 0.476 32 Q N -0.046 119.765 119.800 0.018 0.000 2.402 32 Q HA 0.202 4.545 4.340 0.005 0.000 0.206 32 Q C 0.593 176.608 176.000 0.025 0.000 0.919 32 Q CA 0.253 56.068 55.803 0.020 0.000 0.923 32 Q CB 0.449 29.197 28.738 0.016 0.000 1.048 32 Q HN 0.200 nan 8.270 nan 0.000 0.515 33 A N 0.634 123.470 122.820 0.026 0.000 2.386 33 A HA 0.488 4.812 4.320 0.005 0.000 0.248 33 A C 1.362 178.971 177.584 0.043 0.000 1.082 33 A CA 0.507 52.562 52.037 0.030 0.000 0.789 33 A CB 0.400 19.415 19.000 0.025 0.000 1.025 33 A HN 0.245 nan 8.150 nan 0.000 0.490 34 A N 1.510 124.363 122.820 0.055 0.000 1.940 34 A HA 0.325 4.648 4.320 0.005 0.000 0.219 34 A C 1.233 178.861 177.584 0.074 0.000 1.176 34 A CA 1.897 53.982 52.037 0.081 0.000 0.631 34 A CB -0.557 18.509 19.000 0.111 0.000 0.814 34 A HN 1.995 nan 8.150 nan 0.000 0.446 35 G N -2.057 106.777 108.800 0.056 0.000 2.746 35 G HA2 0.498 4.462 3.960 0.005 0.000 0.297 35 G HA3 0.498 4.462 3.960 0.005 0.000 0.297 35 G C -1.069 173.856 174.900 0.042 0.000 1.426 35 G CA 0.509 45.641 45.100 0.053 0.000 0.989 35 G HN 0.670 nan 8.290 nan 0.000 0.520 36 S N -0.273 115.454 115.700 0.045 0.000 2.536 36 S HA 0.911 5.384 4.470 0.005 0.000 0.271 36 S C -0.601 174.030 174.600 0.051 0.000 1.134 36 S CA 0.228 58.452 58.200 0.040 0.000 0.897 36 S CB 1.596 64.814 63.200 0.030 0.000 1.094 36 S HN 2.167 nan 8.310 nan 0.000 0.473 37 A N 2.906 125.760 122.820 0.057 0.000 2.604 37 A HA 0.782 5.105 4.320 0.005 0.000 0.295 37 A C -1.557 176.062 177.584 0.059 0.000 1.067 37 A CA -0.576 51.513 52.037 0.087 0.000 0.683 37 A CB 1.510 20.595 19.000 0.142 0.000 1.281 37 A HN 0.950 nan 8.150 nan 0.000 0.407 38 V N 0.322 120.265 119.914 0.048 0.000 2.715 38 V HA 0.855 4.979 4.120 0.005 0.000 0.310 38 V C 0.287 176.298 176.094 -0.137 0.000 1.054 38 V CA -0.093 62.145 62.300 -0.105 0.000 0.928 38 V CB 1.781 33.483 31.823 -0.201 0.000 1.007 38 V HN 1.642 nan 8.190 nan 0.000 0.437 39 A N 3.426 126.056 122.820 -0.317 0.000 2.359 39 A HA 0.863 5.186 4.320 0.005 0.000 0.303 39 A C -1.599 175.719 177.584 -0.443 0.000 1.066 39 A CA -0.407 51.394 52.037 -0.394 0.000 0.730 39 A CB 0.856 19.659 19.000 -0.328 0.000 1.211 39 A HN 0.691 nan 8.150 nan 0.000 0.439 40 Y N 1.162 121.332 120.300 -0.217 0.000 2.446 40 Y HA 0.627 5.181 4.550 0.006 0.000 0.338 40 Y C -0.150 175.623 175.900 -0.212 0.000 1.055 40 Y CA -1.099 56.918 58.100 -0.138 0.000 1.101 40 Y CB 2.005 40.417 38.460 -0.079 0.000 1.221 40 Y HN 0.563 nan 8.280 nan 0.000 0.460 41 L N 3.720 124.944 121.223 0.001 0.000 2.294 41 L HA 0.499 4.842 4.340 0.005 0.000 0.283 41 L C -0.485 176.369 176.870 -0.027 0.000 1.015 41 L CA -0.746 53.998 54.840 -0.160 0.000 0.831 41 L CB 0.326 42.217 42.059 -0.279 0.000 1.217 41 L HN 0.739 nan 8.230 nan 0.000 0.420 42 D N 3.351 123.714 120.400 -0.061 0.000 2.708 42 D HA -0.233 4.410 4.640 0.005 0.000 0.236 42 D C 0.028 176.343 176.300 0.024 0.000 1.146 42 D CA 1.329 55.328 54.000 -0.002 0.000 0.662 42 D CB -0.695 40.142 40.800 0.061 0.000 1.059 42 D HN 0.886 nan 8.370 nan 0.000 0.428 43 D N -1.530 118.870 120.400 0.000 0.000 2.860 43 D HA -0.252 4.391 4.640 0.005 0.000 0.229 43 D C 0.794 177.120 176.300 0.044 0.000 1.169 43 D CA 1.516 55.471 54.000 -0.076 0.000 0.737 43 D CB -0.346 40.339 40.800 -0.191 0.000 1.080 43 D HN 0.505 nan 8.370 nan 0.000 0.424 44 D N -1.209 119.279 120.400 0.146 0.000 3.194 44 D HA 0.050 4.693 4.640 0.005 0.000 0.290 44 D C 0.736 177.148 176.300 0.187 0.000 1.280 44 D CA 0.795 54.881 54.000 0.144 0.000 1.058 44 D CB 0.423 41.303 40.800 0.135 0.000 1.241 44 D HN 0.048 nan 8.370 nan 0.000 0.421 48 L N 3.664 124.826 121.223 -0.102 0.000 2.309 48 L HA 0.932 5.275 4.340 0.005 0.000 0.282 48 L C 0.030 176.880 176.870 -0.033 0.000 1.036 48 L CA 0.609 55.410 54.840 -0.066 0.000 0.806 48 L CB 1.824 43.859 42.059 -0.041 0.000 1.220 48 L HN 0.762 nan 8.230 nan 0.000 0.429 49 S N 3.833 119.528 115.700 -0.007 0.000 2.557 49 S HA 0.924 5.397 4.470 0.005 0.000 0.291 49 S C -1.045 173.565 174.600 0.016 0.000 1.116 49 S CA -0.122 58.083 58.200 0.010 0.000 0.992 49 S CB 1.236 64.455 63.200 0.032 0.000 1.028 49 S HN 1.086 nan 8.310 nan 0.000 0.484 50 A N 3.484 126.310 122.820 0.010 0.000 2.356 50 A HA 0.758 5.081 4.320 0.005 0.000 0.310 50 A C -0.436 177.152 177.584 0.008 0.000 1.075 50 A CA -0.603 51.441 52.037 0.013 0.000 0.746 50 A CB 1.560 20.566 19.000 0.009 0.000 1.221 50 A HN 0.661 nan 8.150 nan 0.000 0.443 51 T N 2.395 116.956 114.554 0.011 0.000 2.792 51 T HA 0.705 5.058 4.350 0.005 0.000 0.280 51 T C 0.065 174.769 174.700 0.007 0.000 0.990 51 T CA -0.152 61.949 62.100 0.002 0.000 0.960 51 T CB 1.280 70.146 68.868 -0.004 0.000 0.939 51 T HN 0.947 nan 8.240 nan 0.000 0.439 52 T N -0.190 114.360 114.554 -0.007 0.000 2.916 52 T HA 0.891 5.244 4.350 0.005 0.000 0.292 52 T C -0.852 173.836 174.700 -0.020 0.000 1.055 52 T CA -1.080 61.022 62.100 0.003 0.000 1.009 52 T CB 2.016 70.885 68.868 0.002 0.000 1.118 52 T HN 0.726 nan 8.240 nan 0.000 0.497 53 A N 1.422 124.249 122.820 0.012 0.000 2.449 53 A HA 0.793 5.117 4.320 0.005 0.000 0.302 53 A C 0.189 177.802 177.584 0.047 0.000 1.048 53 A CA -0.833 51.201 52.037 -0.005 0.000 0.708 53 A CB 1.314 20.301 19.000 -0.021 0.000 1.274 53 A HN 1.459 nan 8.150 nan 0.000 0.410 54 S N 1.962 117.670 115.700 0.014 0.000 2.568 54 S HA 0.158 4.631 4.470 0.005 0.000 0.282 54 S C 0.814 175.462 174.600 0.080 0.000 1.338 54 S CA -0.337 57.878 58.200 0.026 0.000 1.045 54 S CB 0.767 63.961 63.200 -0.011 0.000 0.873 54 S HN 0.612 nan 8.310 nan 0.000 0.516 55 K N 1.883 122.318 120.400 0.059 0.000 2.020 55 K HA -0.031 4.293 4.320 0.005 0.000 0.212 55 K C 0.214 176.854 176.600 0.066 0.000 1.050 55 K CA 1.382 57.705 56.287 0.060 0.000 0.929 55 K CB -0.680 31.840 32.500 0.032 0.000 0.714 55 K HN 0.671 nan 8.250 nan 0.000 0.443 56 N N 1.141 119.873 118.700 0.053 0.000 2.361 56 N HA 0.256 5.000 4.740 0.005 0.000 0.302 56 N C -2.599 172.942 175.510 0.053 0.000 1.074 56 N CA -1.590 51.495 53.050 0.059 0.000 0.850 56 N CB 1.575 40.090 38.487 0.047 0.000 1.228 56 N HN -0.030 nan 8.380 nan 0.000 0.491 57 P HA 0.064 nan 4.420 nan 0.000 0.269 57 P C -0.392 176.915 177.300 0.012 0.000 1.217 57 P CA -0.124 62.980 63.100 0.007 0.000 0.783 57 P CB 0.866 32.554 31.700 -0.019 0.000 0.898 58 K N 1.418 121.789 120.400 -0.048 0.000 2.655 58 K HA 0.118 4.441 4.320 0.005 0.000 0.213 58 K C 0.343 176.922 176.600 -0.035 0.000 1.126 58 K CA -0.108 56.151 56.287 -0.046 0.000 1.076 58 K CB -0.861 31.577 32.500 -0.105 0.000 1.644 58 K HN 0.296 nan 8.250 nan 0.000 0.523 59 D N -0.245 120.207 120.400 0.087 0.000 2.351 59 D HA -0.211 4.432 4.640 0.005 0.000 0.216 59 D C 0.585 176.930 176.300 0.076 0.000 0.968 59 D CA 0.881 54.991 54.000 0.182 0.000 0.899 59 D CB 0.121 41.199 40.800 0.463 0.000 0.907 59 D HN 0.305 nan 8.370 nan 0.000 0.514 60 Q N -0.080 119.731 119.800 0.020 0.000 2.541 60 Q HA 0.173 4.516 4.340 0.005 0.000 0.215 60 Q C 0.093 176.061 176.000 -0.053 0.000 0.977 60 Q CA 0.484 56.284 55.803 -0.006 0.000 0.934 60 Q CB -0.188 28.542 28.738 -0.012 0.000 0.988 60 Q HN 0.432 nan 8.270 nan 0.000 0.521 61 L N 0.645 121.802 121.223 -0.109 0.000 2.322 61 L HA 0.272 4.615 4.340 0.005 0.000 0.269 61 L C 0.763 177.534 176.870 -0.166 0.000 1.012 61 L CA -0.667 54.029 54.840 -0.240 0.000 0.815 61 L CB 1.378 43.130 42.059 -0.512 0.000 1.295 61 L HN 0.127 nan 8.230 nan 0.000 0.438 62 D N -0.069 120.235 120.400 -0.160 0.000 2.366 62 D HA -0.000 4.643 4.640 0.005 0.000 0.205 62 D C 0.203 176.555 176.300 0.087 0.000 1.022 62 D CA 0.363 54.377 54.000 0.024 0.000 0.868 62 D CB 0.314 41.194 40.800 0.132 0.000 0.953 62 D HN 0.264 nan 8.370 nan 0.000 0.514 63 F N -0.626 119.354 119.950 0.050 0.000 2.661 63 F HA 0.627 5.159 4.527 0.008 0.000 0.347 63 F C -0.861 174.985 175.800 0.077 0.000 1.086 63 F CA -2.237 55.803 58.000 0.066 0.000 1.016 63 F CB 0.584 39.612 39.000 0.046 0.000 1.368 63 F HN -0.258 nan 8.300 nan 0.000 0.505 64 F N 4.044 124.131 119.950 0.227 0.000 2.424 64 F HA 0.523 5.053 4.527 0.005 0.000 0.356 64 F C -2.484 173.418 175.800 0.169 0.000 1.110 64 F CA -3.507 54.520 58.000 0.044 0.000 1.161 64 F CB 0.739 39.742 39.000 0.006 0.000 1.115 64 F HN 0.239 nan 8.300 nan 0.000 0.507 65 P HA 0.214 nan 4.420 nan 0.000 0.274 65 P C -1.316 175.462 177.300 -0.870 0.000 1.504 65 P CA -0.213 62.586 63.100 -0.502 0.000 1.011 65 P CB 1.180 32.656 31.700 -0.373 0.000 1.366 66 L N 3.721 124.519 121.223 -0.708 0.000 2.346 66 L HA 0.678 5.021 4.340 0.005 0.000 0.276 66 L C -0.709 176.024 176.870 -0.228 0.000 1.006 66 L CA 0.040 54.555 54.840 -0.541 0.000 0.817 66 L CB 2.234 44.083 42.059 -0.350 0.000 1.272 66 L HN 0.123 nan 8.230 nan 0.000 0.421 67 T N 4.173 118.628 114.554 -0.165 0.000 2.879 67 T HA 0.631 4.985 4.350 0.005 0.000 0.290 67 T C -1.023 173.644 174.700 -0.055 0.000 0.993 67 T CA -0.431 61.613 62.100 -0.093 0.000 0.975 67 T CB 1.624 70.440 68.868 -0.087 0.000 0.981 67 T HN 0.373 nan 8.240 nan 0.000 0.439 68 V N 3.593 123.489 119.914 -0.031 0.000 2.495 68 V HA 0.524 4.648 4.120 0.005 0.000 0.298 68 V C -0.639 175.448 176.094 -0.012 0.000 1.031 68 V CA -0.788 61.506 62.300 -0.010 0.000 0.871 68 V CB 1.846 33.675 31.823 0.010 0.000 0.988 68 V HN 0.855 nan 8.190 nan 0.000 0.432 69 D N 2.954 123.348 120.400 -0.010 0.000 2.646 69 D HA 0.521 5.164 4.640 0.005 0.000 0.245 69 D C -1.149 175.146 176.300 -0.008 0.000 1.099 69 D CA -0.213 53.780 54.000 -0.012 0.000 0.849 69 D CB 2.953 43.741 40.800 -0.020 0.000 1.448 69 D HN 0.257 nan 8.370 nan 0.000 0.489 70 V N 2.739 122.651 119.914 -0.005 0.000 2.350 70 V HA 0.155 4.278 4.120 0.005 0.000 0.285 70 V C -0.072 175.996 176.094 -0.043 0.000 1.014 70 V CA -0.671 61.622 62.300 -0.012 0.000 0.831 70 V CB 1.793 33.641 31.823 0.042 0.000 1.000 70 V HN 0.337 nan 8.190 nan 0.000 0.433 71 E N 3.941 124.093 120.200 -0.079 0.000 2.046 71 E HA 0.290 4.643 4.350 0.005 0.000 0.279 71 E C -0.302 176.195 176.600 -0.171 0.000 0.989 71 E CA -0.250 56.090 56.400 -0.100 0.000 0.798 71 E CB 1.588 31.237 29.700 -0.084 0.000 1.086 71 E HN 0.640 nan 8.360 nan 0.000 0.399 72 E N 3.168 123.269 120.200 -0.165 0.000 2.180 72 E HA 0.138 4.491 4.350 0.005 0.000 0.283 72 E C 0.116 176.570 176.600 -0.244 0.000 1.061 72 E CA -0.295 55.971 56.400 -0.224 0.000 0.861 72 E CB 0.941 30.567 29.700 -0.122 0.000 1.056 72 E HN 0.078 nan 8.360 nan 0.000 0.407 76 A N 1.596 124.450 122.820 0.057 0.000 2.067 76 A HA 0.399 4.723 4.320 0.005 0.000 0.219 76 A C 1.990 179.618 177.584 0.074 0.000 1.158 76 A CA 1.804 53.894 52.037 0.087 0.000 0.661 76 A CB -0.764 18.200 19.000 -0.060 0.000 0.801 76 A HN 0.984 nan 8.150 nan 0.000 0.452 77 A N -1.956 120.895 122.820 0.052 0.000 2.430 77 A HA 0.469 4.792 4.320 0.005 0.000 0.243 77 A C 1.491 179.107 177.584 0.054 0.000 1.254 77 A CA 0.898 52.964 52.037 0.048 0.000 0.914 77 A CB -0.677 18.344 19.000 0.034 0.000 0.998 77 A HN 1.791 nan 8.150 nan 0.000 0.515 78 G N 0.795 109.643 108.800 0.080 0.000 2.198 78 G HA2 -0.255 3.709 3.960 0.005 0.000 0.257 78 G HA3 -0.255 3.709 3.960 0.005 0.000 0.257 78 G C -0.058 174.877 174.900 0.058 0.000 1.042 78 G CA 0.659 45.802 45.100 0.072 0.000 0.791 78 G HN 1.036 nan 8.290 nan 0.000 0.502 79 K N -0.540 119.897 120.400 0.063 0.000 2.477 79 K HA 0.741 5.064 4.320 0.005 0.000 0.255 79 K C -0.356 176.275 176.600 0.052 0.000 0.952 79 K CA -1.378 54.938 56.287 0.047 0.000 0.826 79 K CB 2.150 34.670 32.500 0.033 0.000 1.331 79 K HN 0.103 nan 8.250 nan 0.000 0.437 80 I N 2.396 122.991 120.570 0.042 0.000 2.441 80 I HA 0.153 4.326 4.170 0.005 0.000 0.287 80 I C -1.959 174.179 176.117 0.035 0.000 1.049 80 I CA -2.179 59.146 61.300 0.041 0.000 1.381 80 I CB 0.842 38.860 38.000 0.029 0.000 1.409 80 I HN 0.387 nan 8.210 nan 0.000 0.523 81 P HA -0.030 nan 4.420 nan 0.000 0.261 81 P C 0.873 178.199 177.300 0.044 0.000 1.173 81 P CA 0.199 63.321 63.100 0.036 0.000 0.760 81 P CB 0.581 32.305 31.700 0.040 0.000 0.783 82 G N 1.944 110.772 108.800 0.047 0.000 2.650 82 G HA2 -0.062 3.901 3.960 0.005 0.000 0.214 82 G HA3 -0.062 3.901 3.960 0.005 0.000 0.214 82 G C 0.508 175.460 174.900 0.086 0.000 1.136 82 G CA 0.127 45.261 45.100 0.056 0.000 0.789 82 G HN 0.636 nan 8.290 nan 0.000 0.536 83 S N -0.530 115.231 115.700 0.101 0.000 2.580 83 S HA 0.153 4.627 4.470 0.005 0.000 0.266 83 S C 1.074 175.814 174.600 0.232 0.000 1.354 83 S CA -0.466 57.831 58.200 0.161 0.000 1.008 83 S CB 0.619 63.910 63.200 0.151 0.000 0.898 83 S HN 0.162 nan 8.310 nan 0.000 0.555 84 F N 1.101 121.142 119.950 0.151 0.000 2.154 84 F HA -0.050 4.480 4.527 0.005 0.000 0.301 84 F C 1.344 177.245 175.800 0.169 0.000 1.087 84 F CA 1.161 59.261 58.000 0.167 0.000 1.274 84 F CB -0.465 38.679 39.000 0.240 0.000 1.009 84 F HN 0.592 nan 8.300 nan 0.000 0.485 85 F N 0.879 120.835 119.950 0.010 0.000 2.797 85 F HA 0.192 4.723 4.527 0.006 0.000 0.302 85 F C 0.940 176.694 175.800 -0.077 0.000 1.130 85 F CA 0.045 57.990 58.000 -0.093 0.000 1.387 85 F CB -0.411 38.593 39.000 0.007 0.000 1.107 85 F HN -0.179 nan 8.300 nan 0.000 0.577 86 R N 0.738 121.285 120.500 0.078 0.000 3.610 86 R HA -0.250 4.093 4.340 0.005 0.000 0.274 86 R C 0.034 176.371 176.300 0.062 0.000 1.123 86 R CA 0.526 56.649 56.100 0.038 0.000 0.747 86 R CB -2.054 28.228 30.300 -0.030 0.000 1.149 86 R HN 0.406 nan 8.270 nan 0.000 0.471 87 R N 1.106 121.667 120.500 0.101 0.000 2.604 87 R HA 0.126 4.469 4.340 0.005 0.000 0.281 87 R C -0.317 176.020 176.300 0.061 0.000 1.020 87 R CA -0.712 55.436 56.100 0.080 0.000 0.899 87 R CB 1.376 31.737 30.300 0.102 0.000 1.205 87 R HN 0.072 nan 8.270 nan 0.000 0.450 88 E N 2.874 123.090 120.200 0.027 0.000 2.360 88 E HA 0.222 4.575 4.350 0.005 0.000 0.269 88 E C -0.507 176.093 176.600 -0.001 0.000 1.022 88 E CA -0.172 56.231 56.400 0.006 0.000 0.887 88 E CB 1.667 31.351 29.700 -0.027 0.000 0.990 88 E HN 0.759 nan 8.360 nan 0.000 0.426 89 G N 3.065 111.861 108.800 -0.006 0.000 3.306 89 G HA2 0.165 4.129 3.960 0.005 0.000 0.202 89 G HA3 0.165 4.129 3.960 0.005 0.000 0.202 89 G C -0.337 174.548 174.900 -0.025 0.000 1.673 89 G CA -0.761 44.326 45.100 -0.022 0.000 0.776 89 G HN 0.586 nan 8.290 nan 0.000 0.740 90 R N 1.992 122.474 120.500 -0.029 0.000 2.480 90 R HA 0.191 4.534 4.340 0.005 0.000 0.303 90 R C -2.142 174.149 176.300 -0.015 0.000 0.985 90 R CA -0.707 55.379 56.100 -0.025 0.000 1.051 90 R CB -0.538 29.746 30.300 -0.028 0.000 0.935 90 R HN 0.198 nan 8.270 nan 0.000 0.410 91 P HA -0.109 nan 4.420 nan 0.000 0.264 91 P C -0.105 177.198 177.300 0.005 0.000 1.173 91 P CA 0.114 63.212 63.100 -0.004 0.000 0.761 91 P CB 0.613 32.310 31.700 -0.004 0.000 0.794 92 S N 0.841 116.552 115.700 0.019 0.000 2.617 92 S HA 0.017 4.490 4.470 0.005 0.000 0.259 92 S C 1.281 175.897 174.600 0.025 0.000 1.301 92 S CA -0.320 57.896 58.200 0.026 0.000 0.984 92 S CB 0.858 64.084 63.200 0.044 0.000 0.954 92 S HN 0.638 nan 8.310 nan 0.000 0.572 93 E N 0.301 120.513 120.200 0.020 0.000 2.077 93 E HA -0.213 4.141 4.350 0.005 0.000 0.193 93 E C 1.009 177.619 176.600 0.017 0.000 0.989 93 E CA 1.474 57.881 56.400 0.012 0.000 0.800 93 E CB -0.250 29.455 29.700 0.009 0.000 0.746 93 E HN 0.706 nan 8.360 nan 0.000 0.452 94 D N 0.158 120.575 120.400 0.028 0.000 2.123 94 D HA -0.154 4.490 4.640 0.005 0.000 0.196 94 D C 1.772 178.117 176.300 0.074 0.000 0.992 94 D CA 1.346 55.359 54.000 0.021 0.000 0.833 94 D CB -0.303 40.507 40.800 0.017 0.000 0.954 94 D HN 0.293 nan 8.370 nan 0.000 0.455 95 A N 0.560 123.451 122.820 0.119 0.000 1.877 95 A HA -0.137 4.186 4.320 0.005 0.000 0.216 95 A C 2.394 180.019 177.584 0.067 0.000 1.186 95 A CA 0.981 53.096 52.037 0.130 0.000 0.620 95 A CB -0.742 18.307 19.000 0.082 0.000 0.822 95 A HN 0.197 nan 8.150 nan 0.000 0.443 96 I N -0.192 120.397 120.570 0.032 0.000 2.226 96 I HA -0.261 3.913 4.170 0.005 0.000 0.245 96 I C 2.351 178.468 176.117 -0.000 0.000 1.100 96 I CA 1.106 62.409 61.300 0.006 0.000 1.374 96 I CB -0.313 37.682 38.000 -0.009 0.000 1.057 96 I HN 0.290 nan 8.210 nan 0.000 0.413 97 L N -0.145 121.078 121.223 -0.001 0.000 2.083 97 L HA -0.198 4.145 4.340 0.005 0.000 0.209 97 L C 2.558 179.427 176.870 -0.002 0.000 1.083 97 L CA 1.471 56.304 54.840 -0.013 0.000 0.752 97 L CB -0.965 41.081 42.059 -0.021 0.000 0.899 97 L HN 0.264 nan 8.230 nan 0.000 0.433 98 T N -1.274 113.294 114.554 0.023 0.000 2.867 98 T HA -0.163 4.190 4.350 0.005 0.000 0.268 98 T C 2.061 176.792 174.700 0.051 0.000 1.057 98 T CA 1.181 63.312 62.100 0.050 0.000 1.136 98 T CB -0.321 68.633 68.868 0.144 0.000 0.874 98 T HN 0.382 nan 8.240 nan 0.000 0.466 99 C N 1.278 120.602 119.300 0.040 0.000 2.432 99 C HA -0.033 4.430 4.460 0.005 0.000 0.277 99 C C 2.882 177.881 174.990 0.015 0.000 1.249 99 C CA 0.611 59.644 59.018 0.025 0.000 1.725 99 C CB -0.882 26.862 27.740 0.008 0.000 2.028 99 C HN 0.543 nan 8.230 nan 0.000 0.477 100 R N 0.274 120.774 120.500 -0.000 0.000 2.092 100 R HA -0.037 4.306 4.340 0.005 0.000 0.231 100 R C 2.070 178.373 176.300 0.005 0.000 1.119 100 R CA 1.095 57.190 56.100 -0.009 0.000 0.970 100 R CB -0.355 29.925 30.300 -0.033 0.000 0.864 100 R HN 0.533 nan 8.270 nan 0.000 0.440 101 L N 0.311 121.539 121.223 0.009 0.000 2.131 101 L HA -0.178 4.165 4.340 0.005 0.000 0.210 101 L C 2.189 179.077 176.870 0.031 0.000 1.092 101 L CA 1.199 56.047 54.840 0.013 0.000 0.759 101 L CB -0.273 41.790 42.059 0.006 0.000 0.903 101 L HN 0.226 nan 8.230 nan 0.000 0.435 102 I N -0.860 119.734 120.570 0.041 0.000 2.339 102 I HA -0.229 3.945 4.170 0.005 0.000 0.245 102 I C 2.360 178.514 176.117 0.062 0.000 1.096 102 I CA 1.028 62.361 61.300 0.056 0.000 1.408 102 I CB -0.362 37.674 38.000 0.059 0.000 1.092 102 I HN 0.282 nan 8.210 nan 0.000 0.423 103 D N 1.463 121.895 120.400 0.053 0.000 2.117 103 D HA -0.195 4.449 4.640 0.005 0.000 0.197 103 D C 2.249 178.594 176.300 0.074 0.000 0.987 103 D CA 1.365 55.405 54.000 0.067 0.000 0.829 103 D CB 0.125 40.947 40.800 0.035 0.000 0.961 103 D HN 0.228 nan 8.370 nan 0.000 0.460 104 R N 0.267 120.796 120.500 0.049 0.000 2.094 104 R HA -0.123 4.221 4.340 0.005 0.000 0.239 104 R C -0.375 175.962 176.300 0.061 0.000 1.137 104 R CA 2.197 58.325 56.100 0.047 0.000 0.943 104 R CB -1.103 29.215 30.300 0.029 0.000 0.850 104 R HN 0.392 nan 8.270 nan 0.000 0.433 105 P HA -0.072 nan 4.420 nan 0.000 0.226 105 P C 1.170 178.516 177.300 0.077 0.000 1.161 105 P CA 0.837 63.971 63.100 0.058 0.000 0.804 105 P CB 0.175 31.903 31.700 0.046 0.000 0.829 106 L N 0.481 121.763 121.223 0.099 0.000 2.044 106 L HA 0.039 4.382 4.340 0.005 0.000 0.205 106 L C 3.004 179.991 176.870 0.196 0.000 1.075 106 L CA 1.577 56.479 54.840 0.104 0.000 0.747 106 L CB -1.049 41.078 42.059 0.115 0.000 0.903 106 L HN -0.233 nan 8.230 nan 0.000 0.435 107 R N -0.319 120.361 120.500 0.298 0.000 2.115 107 R HA -0.195 4.148 4.340 0.005 0.000 0.239 107 R C -0.475 176.032 176.300 0.345 0.000 1.133 107 R CA 2.397 58.765 56.100 0.446 0.000 0.935 107 R CB -1.449 29.027 30.300 0.294 0.000 0.853 107 R HN 0.279 nan 8.270 nan 0.000 0.433 108 P HA -0.023 nan 4.420 nan 0.000 0.220 108 P C 0.873 178.210 177.300 0.061 0.000 1.148 108 P CA 1.298 64.465 63.100 0.111 0.000 0.803 108 P CB 0.086 31.831 31.700 0.075 0.000 0.782 109 S N -1.538 114.179 115.700 0.029 0.000 2.442 109 S HA -0.068 4.405 4.470 0.005 0.000 0.236 109 S C 0.573 175.108 174.600 -0.109 0.000 1.007 109 S CA 0.737 58.905 58.200 -0.053 0.000 0.965 109 S CB -0.830 62.381 63.200 0.017 0.000 0.773 109 S HN 0.062 nan 8.310 nan 0.000 0.504 110 F N 2.383 122.316 119.950 -0.028 0.000 2.443 110 F HA 0.242 4.773 4.527 0.007 0.000 0.353 110 F C 0.733 176.397 175.800 -0.227 0.000 1.101 110 F CA -0.676 57.195 58.000 -0.215 0.000 1.226 110 F CB 0.352 38.911 39.000 -0.735 0.000 1.140 110 F HN -0.155 nan 8.300 nan 0.000 0.557 111 K N 4.690 125.099 120.400 0.014 0.000 2.491 111 K HA -0.036 4.287 4.320 0.005 0.000 0.279 111 K C 0.018 176.578 176.600 -0.067 0.000 1.026 111 K CA -0.548 55.724 56.287 -0.024 0.000 1.070 111 K CB 0.418 32.917 32.500 -0.002 0.000 0.887 111 K HN 0.417 nan 8.250 nan 0.000 0.481 112 K N 3.072 123.449 120.400 -0.039 0.000 2.484 112 K HA 0.023 4.347 4.320 0.005 0.000 0.280 112 K C 0.809 177.389 176.600 -0.033 0.000 1.013 112 K CA 0.674 56.943 56.287 -0.030 0.000 1.029 112 K CB 0.453 32.949 32.500 -0.007 0.000 0.902 112 K HN 0.885 nan 8.250 nan 0.000 0.481 113 G N 0.823 109.602 108.800 -0.035 0.000 2.278 113 G HA2 -0.254 3.709 3.960 0.005 0.000 0.210 113 G HA3 -0.254 3.709 3.960 0.005 0.000 0.210 113 G C -0.211 174.599 174.900 -0.150 0.000 1.000 113 G CA -0.123 44.961 45.100 -0.028 0.000 0.635 113 G HN 0.570 nan 8.290 nan 0.000 0.495 114 L N 1.456 122.574 121.223 -0.175 0.000 2.525 114 L HA 0.560 4.903 4.340 0.005 0.000 0.278 114 L C 1.335 178.102 176.870 -0.171 0.000 1.218 114 L CA 0.691 55.393 54.840 -0.230 0.000 0.878 114 L CB 0.476 42.334 42.059 -0.334 0.000 1.127 114 L HN 0.214 nan 8.230 nan 0.000 0.492 115 R N 2.057 122.383 120.500 -0.289 0.000 2.531 115 R HA 0.235 4.578 4.340 0.005 0.000 0.316 115 R C -0.232 175.973 176.300 -0.160 0.000 0.955 115 R CA -0.286 55.664 56.100 -0.251 0.000 1.120 115 R CB -0.123 29.877 30.300 -0.501 0.000 1.361 115 R HN 0.666 nan 8.270 nan 0.000 0.534 116 N N 1.899 120.534 118.700 -0.109 0.000 2.479 116 N HA -0.037 4.707 4.740 0.005 0.000 0.257 116 N C -0.123 175.301 175.510 -0.144 0.000 1.232 116 N CA 0.199 53.203 53.050 -0.078 0.000 0.920 116 N CB 0.680 39.150 38.487 -0.028 0.000 1.105 116 N HN 0.030 nan 8.380 nan 0.000 0.444 117 E N 2.119 122.222 120.200 -0.161 0.000 2.290 117 E HA 0.127 4.480 4.350 0.005 0.000 0.277 117 E C -0.779 175.675 176.600 -0.242 0.000 1.035 117 E CA -0.383 55.872 56.400 -0.243 0.000 0.873 117 E CB 0.366 29.964 29.700 -0.170 0.000 1.029 117 E HN 0.327 nan 8.360 nan 0.000 0.419 118 I N 4.194 124.546 120.570 -0.364 0.000 2.474 118 I HA 0.260 4.433 4.170 0.005 0.000 0.294 118 I C -0.206 175.779 176.117 -0.219 0.000 1.005 118 I CA -0.502 60.629 61.300 -0.283 0.000 1.113 118 I CB 1.348 39.141 38.000 -0.345 0.000 1.289 118 I HN 0.681 nan 8.210 nan 0.000 0.436 119 Q N 4.717 124.441 119.800 -0.126 0.000 2.347 119 Q HA 0.682 5.026 4.340 0.005 0.000 0.271 119 Q C -2.091 173.882 176.000 -0.046 0.000 1.064 119 Q CA -0.546 55.206 55.803 -0.085 0.000 0.800 119 Q CB 2.890 31.587 28.738 -0.069 0.000 1.304 119 Q HN 0.490 nan 8.270 nan 0.000 0.438 120 V N 3.753 123.650 119.914 -0.029 0.000 2.487 120 V HA 0.492 4.615 4.120 0.005 0.000 0.298 120 V C -0.836 175.253 176.094 -0.008 0.000 1.028 120 V CA -0.673 61.622 62.300 -0.008 0.000 0.860 120 V CB 1.876 33.705 31.823 0.010 0.000 0.991 120 V HN 0.634 nan 8.190 nan 0.000 0.427 121 V N 4.099 124.009 119.914 -0.007 0.000 2.407 121 V HA 0.779 4.902 4.120 0.005 0.000 0.291 121 V C 0.237 176.324 176.094 -0.011 0.000 1.018 121 V CA -0.520 61.773 62.300 -0.011 0.000 0.842 121 V CB 1.690 33.505 31.823 -0.014 0.000 0.996 121 V HN 0.963 nan 8.190 nan 0.000 0.426 122 A N 3.527 126.338 122.820 -0.015 0.000 2.288 122 A HA 0.812 5.136 4.320 0.005 0.000 0.320 122 A C 0.071 177.617 177.584 -0.064 0.000 1.217 122 A CA -0.415 51.607 52.037 -0.026 0.000 0.840 122 A CB 0.891 19.888 19.000 -0.005 0.000 1.179 122 A HN 0.689 nan 8.150 nan 0.000 0.504 123 T N 4.060 118.567 114.554 -0.078 0.000 2.779 123 T HA 0.485 4.838 4.350 0.005 0.000 0.280 123 T C 0.296 174.899 174.700 -0.162 0.000 0.987 123 T CA -0.322 61.710 62.100 -0.113 0.000 0.966 123 T CB 0.521 69.351 68.868 -0.063 0.000 0.933 123 T HN 0.439 nan 8.240 nan 0.000 0.442 127 L N 2.473 123.742 121.223 0.077 0.000 2.482 127 L HA 0.529 4.872 4.340 0.005 0.000 0.269 127 L C -0.547 176.356 176.870 0.056 0.000 0.967 127 L CA -0.326 54.572 54.840 0.096 0.000 0.851 127 L CB 1.702 43.828 42.059 0.111 0.000 1.242 127 L HN 0.786 nan 8.230 nan 0.000 0.404 128 N N 6.815 125.515 118.700 -0.000 0.000 2.452 128 N HA 0.179 4.923 4.740 0.005 0.000 0.266 128 N C -1.768 173.692 175.510 -0.083 0.000 1.175 128 N CA -1.222 51.727 53.050 -0.168 0.000 0.945 128 N CB 1.538 39.646 38.487 -0.631 0.000 1.063 128 N HN 0.496 nan 8.380 nan 0.000 0.472 129 P HA -0.133 nan 4.420 nan 0.000 0.224 129 P C 0.282 177.648 177.300 0.111 0.000 1.142 129 P CA 1.080 64.204 63.100 0.041 0.000 0.778 129 P CB 0.413 32.122 31.700 0.015 0.000 0.764 130 D N -1.724 118.703 120.400 0.045 0.000 2.349 130 D HA 0.005 4.648 4.640 0.005 0.000 0.214 130 D C 0.304 176.747 176.300 0.238 0.000 1.063 130 D CA 0.003 54.096 54.000 0.156 0.000 0.847 130 D CB -0.214 40.621 40.800 0.060 0.000 0.933 130 D HN 0.291 nan 8.370 nan 0.000 0.513 131 H N -0.296 118.837 119.070 0.105 0.000 2.502 131 H HA 0.360 4.919 4.556 0.005 0.000 0.338 131 H C -0.323 175.001 175.328 -0.007 0.000 1.155 131 H CA -1.097 54.962 56.048 0.018 0.000 1.237 131 H CB 1.608 31.403 29.762 0.054 0.000 1.534 131 H HN -0.121 nan 8.280 nan 0.000 0.523 132 L N 3.702 124.936 121.223 0.019 0.000 2.280 132 L HA 0.032 4.375 4.340 0.005 0.000 0.287 132 L C 0.406 177.293 176.870 0.028 0.000 1.023 132 L CA -0.403 54.400 54.840 -0.063 0.000 0.819 132 L CB 0.742 42.685 42.059 -0.193 0.000 1.212 132 L HN 0.830 nan 8.230 nan 0.000 0.420 133 Y N 1.799 122.139 120.300 0.068 0.000 2.475 133 Y HA -0.077 4.476 4.550 0.005 0.000 0.289 133 Y C 1.704 177.630 175.900 0.044 0.000 1.121 133 Y CA 0.341 58.474 58.100 0.055 0.000 1.257 133 Y CB -0.510 37.978 38.460 0.046 0.000 1.026 133 Y HN 0.650 nan 8.280 nan 0.000 0.555 134 D N 1.855 122.098 120.400 -0.263 0.000 2.127 134 D HA -0.269 4.375 4.640 0.005 0.000 0.190 134 D C 1.953 178.292 176.300 0.065 0.000 1.000 134 D CA 2.698 56.650 54.000 -0.080 0.000 0.839 134 D CB -1.337 39.343 40.800 -0.201 0.000 0.955 134 D HN 0.403 nan 8.370 nan 0.000 0.446 135 V N -1.368 118.569 119.914 0.038 0.000 2.913 135 V HA -0.088 4.035 4.120 0.005 0.000 0.260 135 V C 2.359 178.592 176.094 0.233 0.000 1.098 135 V CA 1.123 63.474 62.300 0.085 0.000 1.121 135 V CB -0.756 31.035 31.823 -0.053 0.000 0.714 135 V HN 0.185 nan 8.190 nan 0.000 0.487 136 V N 0.868 120.918 119.914 0.227 0.000 2.407 136 V HA -0.001 4.122 4.120 0.005 0.000 0.245 136 V C 3.029 179.206 176.094 0.138 0.000 1.041 136 V CA 1.777 64.177 62.300 0.168 0.000 1.040 136 V CB -0.851 31.027 31.823 0.090 0.000 0.671 136 V HN 0.601 nan 8.190 nan 0.000 0.455 137 A N 0.103 123.024 122.820 0.168 0.000 1.933 137 A HA -0.153 4.171 4.320 0.005 0.000 0.218 137 A C 2.172 179.835 177.584 0.131 0.000 1.175 137 A CA 1.658 53.778 52.037 0.139 0.000 0.628 137 A CB -0.522 18.589 19.000 0.185 0.000 0.814 137 A HN 0.498 nan 8.150 nan 0.000 0.444 138 I N 0.183 120.836 120.570 0.139 0.000 2.163 138 I HA -0.303 3.870 4.170 0.005 0.000 0.243 138 I C 2.188 178.402 176.117 0.161 0.000 1.085 138 I CA 1.413 62.789 61.300 0.127 0.000 1.347 138 I CB -0.499 37.565 38.000 0.106 0.000 1.044 138 I HN 0.382 nan 8.210 nan 0.000 0.408 139 N N 1.007 119.839 118.700 0.220 0.000 2.188 139 N HA -0.116 4.628 4.740 0.005 0.000 0.184 139 N C 1.932 177.654 175.510 0.354 0.000 1.018 139 N CA 1.537 54.782 53.050 0.325 0.000 0.858 139 N CB -0.203 38.568 38.487 0.474 0.000 0.989 139 N HN 0.351 nan 8.380 nan 0.000 0.426 140 A N 1.329 124.304 122.820 0.258 0.000 1.902 140 A HA 0.027 4.350 4.320 0.005 0.000 0.217 140 A C 2.417 180.087 177.584 0.144 0.000 1.181 140 A CA 1.762 53.922 52.037 0.204 0.000 0.623 140 A CB -0.668 18.385 19.000 0.089 0.000 0.818 140 A HN 0.318 nan 8.150 nan 0.000 0.443 141 A N -0.733 122.155 122.820 0.114 0.000 1.902 141 A HA -0.105 4.218 4.320 0.005 0.000 0.217 141 A C 2.493 180.116 177.584 0.065 0.000 1.181 141 A CA 2.205 54.287 52.037 0.074 0.000 0.623 141 A CB -0.985 18.056 19.000 0.067 0.000 0.818 141 A HN 0.593 nan 8.150 nan 0.000 0.443 142 S N -0.333 115.432 115.700 0.108 0.000 2.348 142 S HA -0.069 4.404 4.470 0.005 0.000 0.221 142 S C 2.241 176.920 174.600 0.132 0.000 1.033 142 S CA 1.773 60.056 58.200 0.139 0.000 1.010 142 S CB -0.611 62.689 63.200 0.166 0.000 0.891 142 S HN 0.880 nan 8.310 nan 0.000 0.442 143 A N 1.558 124.442 122.820 0.108 0.000 1.873 143 A HA -0.136 4.188 4.320 0.005 0.000 0.218 143 A C 2.530 180.159 177.584 0.074 0.000 1.193 143 A CA 2.856 54.930 52.037 0.062 0.000 0.629 143 A CB -1.594 17.462 19.000 0.093 0.000 0.826 143 A HN 0.925 nan 8.150 nan 0.000 0.447 144 S N -1.026 114.719 115.700 0.076 0.000 2.383 144 S HA -0.170 4.303 4.470 0.005 0.000 0.229 144 S C 1.815 176.431 174.600 0.028 0.000 1.030 144 S CA 2.078 60.310 58.200 0.052 0.000 1.002 144 S CB -1.266 61.960 63.200 0.042 0.000 0.829 144 S HN 0.529 nan 8.310 nan 0.000 0.467 145 T N 1.629 116.172 114.554 -0.019 0.000 2.821 145 T HA -0.059 4.294 4.350 0.005 0.000 0.267 145 T C 1.924 176.608 174.700 -0.027 0.000 1.046 145 T CA 1.528 63.546 62.100 -0.137 0.000 1.139 145 T CB -0.462 68.134 68.868 -0.454 0.000 0.871 145 T HN 0.508 nan 8.240 nan 0.000 0.454 146 Q N 1.122 121.025 119.800 0.171 0.000 2.084 146 Q HA 0.025 4.368 4.340 0.005 0.000 0.202 146 Q C 1.970 178.068 176.000 0.162 0.000 0.978 146 Q CA 1.476 57.473 55.803 0.323 0.000 0.844 146 Q CB -0.684 28.179 28.738 0.209 0.000 0.898 146 Q HN 0.510 nan 8.270 nan 0.000 0.426 147 L N -0.219 121.065 121.223 0.102 0.000 2.376 147 L HA 0.031 4.375 4.340 0.005 0.000 0.219 147 L C 1.999 178.925 176.870 0.093 0.000 1.133 147 L CA 0.583 55.472 54.840 0.082 0.000 0.816 147 L CB -0.495 41.604 42.059 0.067 0.000 0.933 147 L HN 0.241 nan 8.230 nan 0.000 0.449 148 A N -0.001 122.877 122.820 0.096 0.000 2.235 148 A HA 0.214 4.537 4.320 0.005 0.000 0.208 148 A C 1.755 179.449 177.584 0.183 0.000 1.172 148 A CA 0.700 52.805 52.037 0.113 0.000 0.786 148 A CB -0.598 18.446 19.000 0.072 0.000 0.804 148 A HN 0.488 nan 8.150 nan 0.000 0.479 149 G N -0.920 107.989 108.800 0.181 0.000 2.221 149 G HA2 -0.218 3.745 3.960 0.005 0.000 0.265 149 G HA3 -0.218 3.745 3.960 0.005 0.000 0.265 149 G C -0.053 175.039 174.900 0.320 0.000 1.041 149 G CA 0.437 45.675 45.100 0.229 0.000 0.807 149 G HN 0.459 nan 8.290 nan 0.000 0.502 150 L N 0.851 122.204 121.223 0.216 0.000 2.325 150 L HA 0.425 4.769 4.340 0.005 0.000 0.279 150 L C -1.308 175.701 176.870 0.232 0.000 1.054 150 L CA -2.243 52.661 54.840 0.107 0.000 0.804 150 L CB 1.421 43.495 42.059 0.025 0.000 1.200 150 L HN -0.030 nan 8.230 nan 0.000 0.436 151 P HA 0.064 nan 4.420 nan 0.000 0.259 151 P C -1.114 176.310 177.300 0.208 0.000 1.635 151 P CA 0.182 63.386 63.100 0.174 0.000 1.199 151 P CB -0.527 31.249 31.700 0.127 0.000 1.850 152 F N 0.453 120.332 119.950 -0.117 0.000 2.619 152 F HA 0.454 4.985 4.527 0.005 0.000 0.308 152 F C 0.094 175.760 175.800 -0.223 0.000 1.097 152 F CA -1.511 56.310 58.000 -0.298 0.000 0.953 152 F CB 0.993 39.520 39.000 -0.789 0.000 1.287 152 F HN -0.001 nan 8.300 nan 0.000 0.446 153 S N 1.528 116.881 115.700 -0.579 0.000 3.613 153 S HA 0.429 4.902 4.470 0.005 0.000 0.220 153 S C 0.466 174.527 174.600 -0.899 0.000 1.261 153 S CA -0.071 57.781 58.200 -0.581 0.000 1.143 153 S CB -1.588 61.428 63.200 -0.306 0.000 1.315 153 S HN 1.173 nan 8.310 nan 0.000 0.450 154 G N 1.802 109.690 108.800 -1.519 0.000 2.580 154 G HA2 0.574 4.537 3.960 0.005 0.000 0.278 154 G HA3 0.574 4.537 3.960 0.005 0.000 0.278 154 G C -2.884 171.722 174.900 -0.491 0.000 1.212 154 G CA -1.723 42.673 45.100 -1.172 0.000 0.939 154 G HN 0.442 nan 8.290 nan 0.000 0.513 155 P HA 0.431 nan 4.420 nan 0.000 0.282 155 P C -0.615 176.611 177.300 -0.124 0.000 1.259 155 P CA -0.524 62.474 63.100 -0.171 0.000 0.826 155 P CB 1.438 33.069 31.700 -0.115 0.000 1.064 156 I N 0.926 121.488 120.570 -0.013 0.000 2.362 156 I HA 0.431 4.604 4.170 0.005 0.000 0.289 156 I C 0.679 176.830 176.117 0.057 0.000 0.994 156 I CA -0.333 60.978 61.300 0.019 0.000 1.158 156 I CB 1.525 39.571 38.000 0.077 0.000 1.315 156 I HN 0.343 nan 8.210 nan 0.000 0.451 157 G N 4.081 112.912 108.800 0.050 0.000 2.322 157 G HA2 0.598 4.561 3.960 0.005 0.000 0.309 157 G HA3 0.598 4.561 3.960 0.005 0.000 0.309 157 G C -0.284 174.671 174.900 0.093 0.000 1.121 157 G CA -0.450 44.709 45.100 0.099 0.000 0.886 157 G HN 0.737 nan 8.290 nan 0.000 0.447 158 G N -0.400 108.478 108.800 0.129 0.000 2.470 158 G HA2 0.628 4.591 3.960 0.005 0.000 0.320 158 G HA3 0.628 4.591 3.960 0.005 0.000 0.320 158 G C -1.287 173.611 174.900 -0.005 0.000 1.245 158 G CA -0.515 44.624 45.100 0.064 0.000 0.935 158 G HN 1.011 nan 8.290 nan 0.000 0.476 159 V N 2.097 121.910 119.914 -0.168 0.000 3.188 159 V HA 0.848 4.971 4.120 0.005 0.000 0.305 159 V C -1.030 174.791 176.094 -0.455 0.000 1.232 159 V CA -1.277 60.714 62.300 -0.516 0.000 1.043 159 V CB 2.420 34.014 31.823 -0.382 0.000 1.068 159 V HN 0.921 nan 8.190 nan 0.000 0.439 160 R N 2.973 123.087 120.500 -0.643 0.000 2.534 160 R HA 0.813 5.157 4.340 0.005 0.000 0.301 160 R C -1.688 174.424 176.300 -0.314 0.000 0.961 160 R CA -0.392 55.487 56.100 -0.367 0.000 0.871 160 R CB 1.934 32.046 30.300 -0.313 0.000 1.170 160 R HN 0.818 nan 8.270 nan 0.000 0.446 161 V N 1.006 120.850 119.914 -0.116 0.000 2.487 161 V HA 0.918 5.041 4.120 0.005 0.000 0.298 161 V C -0.600 175.651 176.094 0.262 0.000 1.028 161 V CA -0.826 61.506 62.300 0.054 0.000 0.860 161 V CB 1.403 33.315 31.823 0.149 0.000 0.991 161 V HN 0.891 nan 8.190 nan 0.000 0.427 162 A N 4.684 127.611 122.820 0.179 0.000 2.355 162 A HA 0.826 5.149 4.320 0.005 0.000 0.317 162 A C -0.829 176.661 177.584 -0.157 0.000 1.094 162 A CA -0.767 51.319 52.037 0.081 0.000 0.764 162 A CB 1.646 20.601 19.000 -0.075 0.000 1.230 162 A HN 1.303 nan 8.150 nan 0.000 0.448 163 L N 3.602 124.524 121.223 -0.502 0.000 2.385 163 L HA 0.437 4.781 4.340 0.005 0.000 0.285 163 L C -0.824 175.756 176.870 -0.485 0.000 1.125 163 L CA 0.267 54.530 54.840 -0.961 0.000 0.890 163 L CB -0.820 40.453 42.059 -1.311 0.000 1.251 163 L HN 0.488 nan 8.230 nan 0.000 0.445 164 I N 5.383 125.711 120.570 -0.404 0.000 2.355 164 I HA 0.375 4.548 4.170 0.005 0.000 0.288 164 I C 0.493 176.518 176.117 -0.153 0.000 0.999 164 I CA -0.884 60.246 61.300 -0.283 0.000 1.163 164 I CB 0.695 38.452 38.000 -0.405 0.000 1.316 164 I HN 0.508 nan 8.210 nan 0.000 0.454 165 R N 4.568 125.019 120.500 -0.081 0.000 3.333 165 R HA -0.227 4.117 4.340 0.005 0.000 0.256 165 R C 1.026 177.312 176.300 -0.023 0.000 1.010 165 R CA 0.563 56.662 56.100 -0.002 0.000 0.680 165 R CB -1.740 28.641 30.300 0.134 0.000 1.102 165 R HN 1.201 nan 8.270 nan 0.000 0.440 166 G N -0.639 108.087 108.800 -0.124 0.000 2.184 166 G HA2 -0.398 3.565 3.960 0.005 0.000 0.264 166 G HA3 -0.398 3.565 3.960 0.005 0.000 0.264 166 G C -0.008 174.805 174.900 -0.145 0.000 0.975 166 G CA 0.747 45.770 45.100 -0.129 0.000 0.642 166 G HN 0.528 nan 8.290 nan 0.000 0.536 167 Q N -0.951 118.763 119.800 -0.143 0.000 2.342 167 Q HA 0.544 4.888 4.340 0.005 0.000 0.267 167 Q C -1.020 174.844 176.000 -0.225 0.000 1.038 167 Q CA -1.250 54.511 55.803 -0.071 0.000 0.832 167 Q CB 0.995 29.821 28.738 0.146 0.000 1.323 167 Q HN 0.295 nan 8.270 nan 0.000 0.448 168 W N 3.345 124.674 121.300 0.049 0.000 2.367 168 W HA 0.371 5.034 4.660 0.006 0.000 0.329 168 W C -0.658 175.864 176.519 0.005 0.000 1.066 168 W CA -0.501 56.860 57.345 0.027 0.000 1.435 168 W CB 0.900 30.406 29.460 0.077 0.000 1.296 168 W HN 0.262 nan 8.180 nan 0.000 0.401 169 V N 4.387 124.312 119.914 0.019 0.000 2.461 169 V HA 0.490 4.613 4.120 0.005 0.000 0.275 169 V C 0.637 176.620 176.094 -0.185 0.000 1.047 169 V CA -0.920 61.311 62.300 -0.115 0.000 0.955 169 V CB 0.525 32.139 31.823 -0.349 0.000 0.988 169 V HN 0.544 nan 8.190 nan 0.000 0.471 170 A N 4.201 126.793 122.820 -0.380 0.000 2.331 170 A HA 0.707 5.031 4.320 0.005 0.000 0.283 170 A C 0.007 177.441 177.584 -0.250 0.000 1.142 170 A CA -0.368 51.293 52.037 -0.627 0.000 0.812 170 A CB -0.433 17.627 19.000 -1.566 0.000 1.074 170 A HN 0.945 nan 8.150 nan 0.000 0.497 171 F N 0.141 119.916 119.950 -0.292 0.000 2.969 171 F HA -0.144 4.386 4.527 0.005 0.000 0.273 171 F C -1.638 174.036 175.800 -0.211 0.000 0.986 171 F CA 0.823 58.688 58.000 -0.226 0.000 0.926 171 F CB -1.760 37.108 39.000 -0.221 0.000 0.887 171 F HN 0.500 nan 8.300 nan 0.000 0.816 172 P HA 0.157 nan 4.420 nan 0.000 0.270 172 P C 0.368 177.603 177.300 -0.108 0.000 1.223 172 P CA 0.105 63.132 63.100 -0.123 0.000 0.785 172 P CB 1.048 32.647 31.700 -0.168 0.000 0.923 173 T N -2.309 112.199 114.554 -0.075 0.000 2.936 173 T HA 0.238 4.591 4.350 0.005 0.000 0.282 173 T C 1.426 176.074 174.700 -0.086 0.000 1.003 173 T CA -0.421 61.652 62.100 -0.045 0.000 1.005 173 T CB 0.341 69.257 68.868 0.079 0.000 1.097 173 T HN 0.329 nan 8.240 nan 0.000 0.532 174 H N 0.642 119.738 119.070 0.043 0.000 2.387 174 H HA -0.047 4.513 4.556 0.005 0.000 0.299 174 H C 2.311 177.645 175.328 0.010 0.000 1.090 174 H CA 2.056 58.114 56.048 0.016 0.000 1.332 174 H CB -0.656 29.118 29.762 0.021 0.000 1.386 174 H HN 0.720 nan 8.280 nan 0.000 0.516 175 T N 0.840 115.474 114.554 0.133 0.000 2.720 175 T HA -0.132 4.221 4.350 0.005 0.000 0.268 175 T C 1.894 176.626 174.700 0.052 0.000 1.037 175 T CA 1.480 63.631 62.100 0.086 0.000 1.144 175 T CB -0.060 68.857 68.868 0.083 0.000 0.864 175 T HN 0.512 nan 8.240 nan 0.000 0.444 176 E N 0.665 120.877 120.200 0.021 0.000 2.107 176 E HA 0.072 4.425 4.350 0.005 0.000 0.191 176 E C 2.031 178.587 176.600 -0.073 0.000 0.982 176 E CA 0.502 56.877 56.400 -0.042 0.000 0.809 176 E CB -0.220 29.404 29.700 -0.127 0.000 0.756 176 E HN 0.390 nan 8.360 nan 0.000 0.459 177 L N 1.399 122.591 121.223 -0.052 0.000 2.549 177 L HA -0.127 4.216 4.340 0.005 0.000 0.230 177 L C 1.931 178.787 176.870 -0.023 0.000 1.162 177 L CA 0.437 55.246 54.840 -0.051 0.000 0.834 177 L CB -0.157 41.885 42.059 -0.029 0.000 0.947 177 L HN 0.066 nan 8.230 nan 0.000 0.452 178 E N -0.038 120.162 120.200 -0.001 0.000 2.409 178 E HA -0.159 4.194 4.350 0.005 0.000 0.198 178 E C 0.521 177.113 176.600 -0.012 0.000 1.024 178 E CA 0.888 57.292 56.400 0.005 0.000 0.861 178 E CB 0.049 29.762 29.700 0.021 0.000 0.788 178 E HN 0.466 nan 8.360 nan 0.000 0.521 179 D N -0.713 119.668 120.400 -0.031 0.000 2.479 179 D HA 0.172 4.815 4.640 0.005 0.000 0.218 179 D C -0.415 175.835 176.300 -0.084 0.000 1.177 179 D CA -0.042 53.933 54.000 -0.042 0.000 0.830 179 D CB 0.593 41.384 40.800 -0.016 0.000 1.014 179 D HN -0.002 nan 8.370 nan 0.000 0.503 180 A N 0.450 123.214 122.820 -0.093 0.000 2.331 180 A HA 0.422 4.745 4.320 0.005 0.000 0.283 180 A C 1.335 178.861 177.584 -0.097 0.000 1.142 180 A CA -0.466 51.499 52.037 -0.120 0.000 0.812 180 A CB 0.753 19.685 19.000 -0.113 0.000 1.074 180 A HN 0.124 nan 8.150 nan 0.000 0.497 181 V N -0.299 119.547 119.914 -0.113 0.000 3.565 181 V HA 0.501 4.624 4.120 0.005 0.000 0.260 181 V C 0.099 176.231 176.094 0.063 0.000 1.231 181 V CA 0.372 62.619 62.300 -0.088 0.000 1.100 181 V CB -0.704 31.025 31.823 -0.157 0.000 0.807 181 V HN 0.668 nan 8.190 nan 0.000 0.454 182 F N 0.770 120.636 119.950 -0.141 0.000 2.615 182 F HA 0.712 5.242 4.527 0.005 0.000 0.312 182 F C -1.034 174.785 175.800 0.032 0.000 1.119 182 F CA -1.093 56.897 58.000 -0.018 0.000 0.979 182 F CB 1.922 40.971 39.000 0.082 0.000 1.266 182 F HN 0.091 nan 8.300 nan 0.000 0.444 186 V N 2.696 122.560 119.914 -0.084 0.000 2.789 186 V HA 0.998 5.121 4.120 0.005 0.000 0.311 186 V C -0.019 176.048 176.094 -0.044 0.000 1.073 186 V CA -0.291 61.972 62.300 -0.060 0.000 0.921 186 V CB 2.030 33.811 31.823 -0.070 0.000 1.009 186 V HN 1.217 nan 8.190 nan 0.000 0.426 187 A N 2.272 125.078 122.820 -0.023 0.000 2.414 187 A HA 1.044 5.367 4.320 0.005 0.000 0.306 187 A C -0.106 177.475 177.584 -0.006 0.000 1.054 187 A CA 0.034 52.070 52.037 -0.002 0.000 0.724 187 A CB 2.029 21.037 19.000 0.013 0.000 1.267 187 A HN 1.493 nan 8.150 nan 0.000 0.418 188 G N 0.497 109.296 108.800 -0.002 0.000 2.663 188 G HA2 0.715 4.678 3.960 0.005 0.000 0.299 188 G HA3 0.715 4.678 3.960 0.005 0.000 0.299 188 G C -1.008 173.878 174.900 -0.023 0.000 1.372 188 G CA -0.594 44.496 45.100 -0.017 0.000 0.781 188 G HN 1.173 nan 8.290 nan 0.000 0.491 189 R N -1.671 118.803 120.500 -0.043 0.000 2.912 189 R HA 0.813 5.156 4.340 0.005 0.000 0.262 189 R C -1.486 174.778 176.300 -0.060 0.000 1.057 189 R CA -0.847 55.215 56.100 -0.065 0.000 0.981 189 R CB 1.797 32.036 30.300 -0.101 0.000 1.201 189 R HN 0.338 nan 8.270 nan 0.000 0.484 190 V N 2.663 122.536 119.914 -0.069 0.000 2.394 190 V HA 0.296 4.419 4.120 0.005 0.000 0.282 190 V C 0.429 176.483 176.094 -0.066 0.000 1.031 190 V CA -0.805 61.459 62.300 -0.059 0.000 0.881 190 V CB 1.120 32.911 31.823 -0.053 0.000 0.982 190 V HN 0.527 nan 8.190 nan 0.000 0.451 191 L N 2.703 123.892 121.223 -0.056 0.000 2.466 191 L HA 0.276 4.619 4.340 0.005 0.000 0.257 191 L C 1.842 178.682 176.870 -0.049 0.000 1.189 191 L CA -0.016 54.792 54.840 -0.053 0.000 0.813 191 L CB 0.440 42.473 42.059 -0.043 0.000 1.118 191 L HN 0.742 nan 8.230 nan 0.000 0.471 192 E N 0.771 120.943 120.200 -0.047 0.000 2.118 192 E HA -0.256 4.098 4.350 0.005 0.000 0.195 192 E C 1.091 177.670 176.600 -0.035 0.000 0.992 192 E CA 1.728 58.102 56.400 -0.042 0.000 0.804 192 E CB 0.129 29.806 29.700 -0.038 0.000 0.741 192 E HN 0.846 nan 8.360 nan 0.000 0.458 193 D N -1.535 118.846 120.400 -0.032 0.000 2.378 193 D HA 0.002 4.646 4.640 0.005 0.000 0.227 193 D C 1.279 177.561 176.300 -0.030 0.000 1.012 193 D CA 0.966 54.949 54.000 -0.029 0.000 0.905 193 D CB 0.176 40.960 40.800 -0.026 0.000 0.895 193 D HN 0.336 nan 8.370 nan 0.000 0.532 194 G N -0.532 108.247 108.800 -0.034 0.000 2.234 194 G HA2 -0.247 3.716 3.960 0.005 0.000 0.235 194 G HA3 -0.247 3.716 3.960 0.005 0.000 0.235 194 G C -0.087 174.791 174.900 -0.037 0.000 0.997 194 G CA 0.083 45.163 45.100 -0.035 0.000 0.623 194 G HN 0.414 nan 8.290 nan 0.000 0.514 195 D N 0.376 120.754 120.400 -0.038 0.000 2.362 195 D HA 0.452 5.095 4.640 0.005 0.000 0.242 195 D C 0.587 176.861 176.300 -0.044 0.000 1.132 195 D CA 0.017 53.992 54.000 -0.041 0.000 0.907 195 D CB 1.817 42.593 40.800 -0.039 0.000 1.195 195 D HN 0.137 nan 8.370 nan 0.000 0.429 196 V N 1.098 120.984 119.914 -0.047 0.000 2.439 196 V HA 0.459 4.583 4.120 0.005 0.000 0.282 196 V C 0.266 176.331 176.094 -0.048 0.000 1.039 196 V CA -0.646 61.627 62.300 -0.046 0.000 0.913 196 V CB 1.261 33.057 31.823 -0.044 0.000 0.983 196 V HN 0.638 nan 8.190 nan 0.000 0.460 197 A N 6.626 129.418 122.820 -0.046 0.000 2.258 197 A HA 0.702 5.025 4.320 0.005 0.000 0.316 197 A C -0.117 177.441 177.584 -0.043 0.000 1.279 197 A CA -0.467 51.542 52.037 -0.045 0.000 0.876 197 A CB 0.169 19.144 19.000 -0.041 0.000 1.170 197 A HN 0.769 nan 8.150 nan 0.000 0.520 202 E N 2.516 122.711 120.200 -0.008 0.000 2.409 202 E HA 0.814 5.167 4.350 0.005 0.000 0.259 202 E C -0.691 175.879 176.600 -0.051 0.000 0.932 202 E CA 0.272 56.661 56.400 -0.018 0.000 0.809 202 E CB 1.584 31.267 29.700 -0.029 0.000 1.341 202 E HN 1.211 nan 8.360 nan 0.000 0.405 203 A N 3.785 126.574 122.820 -0.052 0.000 2.485 203 A HA 0.972 5.296 4.320 0.005 0.000 0.292 203 A C -1.111 176.306 177.584 -0.277 0.000 1.147 203 A CA -0.534 51.393 52.037 -0.184 0.000 0.750 203 A CB 1.294 20.257 19.000 -0.062 0.000 1.331 203 A HN 0.627 nan 8.150 nan 0.000 0.419 204 E N -0.590 119.224 120.200 -0.642 0.000 2.396 204 E HA 0.618 4.971 4.350 0.005 0.000 0.280 204 E C -0.534 175.662 176.600 -0.673 0.000 1.065 204 E CA -0.703 55.427 56.400 -0.451 0.000 0.831 204 E CB 1.209 30.781 29.700 -0.213 0.000 1.272 204 E HN 1.194 nan 8.360 nan 0.000 0.443 205 A N 0.791 123.519 122.820 -0.153 0.000 2.240 205 A HA 0.756 5.079 4.320 0.005 0.000 0.292 205 A C 0.300 177.871 177.584 -0.021 0.000 1.121 205 A CA 0.309 52.384 52.037 0.063 0.000 0.851 205 A CB 0.902 20.111 19.000 0.350 0.000 1.167 205 A HN 0.771 nan 8.150 nan 0.000 0.503 206 T N -2.987 111.568 114.554 0.001 0.000 2.883 206 T HA 0.460 4.813 4.350 0.005 0.000 0.284 206 T C 0.585 175.291 174.700 0.009 0.000 1.041 206 T CA 0.200 62.292 62.100 -0.015 0.000 1.007 206 T CB 1.080 69.927 68.868 -0.035 0.000 1.220 206 T HN 0.733 nan 8.240 nan 0.000 0.552 207 E N 0.025 120.228 120.200 0.005 0.000 2.478 207 E HA 0.004 4.358 4.350 0.005 0.000 0.198 207 E C 1.245 177.848 176.600 0.006 0.000 1.046 207 E CA 0.284 56.691 56.400 0.012 0.000 0.870 207 E CB -0.010 29.699 29.700 0.014 0.000 0.818 207 E HN 0.357 nan 8.360 nan 0.000 0.527 208 K N 0.509 120.904 120.400 -0.008 0.000 2.352 208 K HA 0.118 4.441 4.320 0.005 0.000 0.194 208 K C 1.848 178.424 176.600 -0.041 0.000 1.038 208 K CA 0.659 56.935 56.287 -0.019 0.000 1.023 208 K CB 0.011 32.496 32.500 -0.025 0.000 0.840 208 K HN 0.091 nan 8.250 nan 0.000 0.519 209 T N 2.790 117.309 114.554 -0.058 0.000 2.592 209 T HA -0.185 4.169 4.350 0.005 0.000 0.267 209 T C 1.999 176.611 174.700 -0.148 0.000 1.060 209 T CA 1.697 63.712 62.100 -0.142 0.000 1.167 209 T CB -0.313 68.425 68.868 -0.216 0.000 0.863 209 T HN 0.139 nan 8.240 nan 0.000 0.431 210 I N 0.714 121.254 120.570 -0.049 0.000 2.208 210 I HA -0.215 3.959 4.170 0.005 0.000 0.245 210 I C 2.861 178.971 176.117 -0.012 0.000 1.097 210 I CA 1.367 62.670 61.300 0.005 0.000 1.363 210 I CB -0.406 37.649 38.000 0.091 0.000 1.051 210 I HN 0.223 nan 8.210 nan 0.000 0.413 211 Q N 1.305 121.097 119.800 -0.012 0.000 2.079 211 Q HA -0.144 4.199 4.340 0.005 0.000 0.200 211 Q C 2.121 178.105 176.000 -0.027 0.000 0.974 211 Q CA 1.740 57.536 55.803 -0.012 0.000 0.840 211 Q CB -0.381 28.353 28.738 -0.006 0.000 0.898 211 Q HN 0.474 nan 8.270 nan 0.000 0.430 212 L N -0.841 120.354 121.223 -0.045 0.000 2.012 212 L HA -0.183 4.160 4.340 0.005 0.000 0.210 212 L C 2.312 179.144 176.870 -0.064 0.000 1.073 212 L CA 1.102 55.909 54.840 -0.056 0.000 0.748 212 L CB -0.662 41.352 42.059 -0.075 0.000 0.891 212 L HN 0.109 nan 8.230 nan 0.000 0.431 213 V N 0.139 120.001 119.914 -0.087 0.000 2.343 213 V HA -0.321 3.802 4.120 0.005 0.000 0.247 213 V C 2.598 178.668 176.094 -0.042 0.000 1.051 213 V CA 1.969 64.219 62.300 -0.083 0.000 1.036 213 V CB -0.592 31.160 31.823 -0.118 0.000 0.654 213 V HN 0.469 nan 8.190 nan 0.000 0.451 214 K N -0.001 120.383 120.400 -0.026 0.000 2.103 214 K HA -0.223 4.100 4.320 0.005 0.000 0.207 214 K C 1.308 177.900 176.600 -0.013 0.000 1.048 214 K CA 1.897 58.178 56.287 -0.010 0.000 0.930 214 K CB -0.193 32.306 32.500 -0.001 0.000 0.716 214 K HN 0.408 nan 8.250 nan 0.000 0.444 215 D N -1.040 119.349 120.400 -0.018 0.000 2.324 215 D HA 0.083 4.726 4.640 0.005 0.000 0.235 215 D C 0.877 177.165 176.300 -0.020 0.000 1.095 215 D CA 0.895 54.886 54.000 -0.016 0.000 0.871 215 D CB 0.922 41.713 40.800 -0.015 0.000 0.906 215 D HN 0.585 nan 8.370 nan 0.000 0.522 216 G N 0.033 108.818 108.800 -0.025 0.000 2.545 216 G HA2 -0.131 3.832 3.960 0.005 0.000 0.195 216 G HA3 -0.131 3.832 3.960 0.005 0.000 0.195 216 G C 0.640 175.517 174.900 -0.039 0.000 1.009 216 G CA -0.059 45.025 45.100 -0.027 0.000 0.703 216 G HN 0.537 nan 8.290 nan 0.000 0.479 217 A N 0.613 123.401 122.820 -0.054 0.000 2.448 217 A HA 0.533 4.856 4.320 0.005 0.000 0.239 217 A C 0.469 178.001 177.584 -0.085 0.000 1.080 217 A CA 0.955 52.946 52.037 -0.076 0.000 0.779 217 A CB 0.251 19.192 19.000 -0.097 0.000 1.026 217 A HN 0.716 nan 8.150 nan 0.000 0.499 218 E N 0.989 121.131 120.200 -0.097 0.000 2.229 218 E HA 0.465 4.818 4.350 0.005 0.000 0.283 218 E C 0.194 176.715 176.600 -0.131 0.000 1.030 218 E CA -0.424 55.922 56.400 -0.090 0.000 0.836 218 E CB 0.778 30.434 29.700 -0.073 0.000 1.068 218 E HN 0.804 nan 8.360 nan 0.000 0.401 219 A N 6.037 128.782 122.820 -0.124 0.000 2.498 219 A HA 0.207 4.530 4.320 0.005 0.000 0.239 219 A C -2.044 175.447 177.584 -0.155 0.000 1.068 219 A CA -1.112 50.804 52.037 -0.200 0.000 0.766 219 A CB -0.004 18.945 19.000 -0.084 0.000 1.003 219 A HN 0.586 nan 8.150 nan 0.000 0.497 220 P HA 0.132 nan 4.420 nan 0.000 0.268 220 P C 0.050 177.302 177.300 -0.079 0.000 1.541 220 P CA 0.137 63.112 63.100 -0.209 0.000 1.093 220 P CB -0.101 31.400 31.700 -0.330 0.000 1.551 221 T N -0.225 114.300 114.554 -0.049 0.000 2.884 221 T HA 0.254 4.607 4.350 0.005 0.000 0.277 221 T C 1.326 175.993 174.700 -0.054 0.000 0.976 221 T CA -0.441 61.659 62.100 0.001 0.000 0.956 221 T CB 0.914 69.794 68.868 0.022 0.000 1.113 221 T HN -0.009 nan 8.240 nan 0.000 0.554 222 E N 0.419 120.605 120.200 -0.024 0.000 2.097 222 E HA -0.130 4.223 4.350 0.005 0.000 0.196 222 E C 2.029 178.595 176.600 -0.056 0.000 1.000 222 E CA 1.574 57.952 56.400 -0.038 0.000 0.804 222 E CB -0.435 29.258 29.700 -0.012 0.000 0.740 222 E HN 0.726 nan 8.360 nan 0.000 0.454 223 E N -0.240 119.939 120.200 -0.036 0.000 2.031 223 E HA -0.119 4.234 4.350 0.005 0.000 0.193 223 E C 2.162 178.748 176.600 -0.024 0.000 0.994 223 E CA 0.953 57.335 56.400 -0.030 0.000 0.800 223 E CB -0.444 29.249 29.700 -0.012 0.000 0.752 223 E HN 0.082 nan 8.360 nan 0.000 0.447 224 V N 0.292 120.198 119.914 -0.013 0.000 2.295 224 V HA -0.238 3.885 4.120 0.005 0.000 0.246 224 V C 2.273 178.391 176.094 0.041 0.000 1.049 224 V CA 1.437 63.771 62.300 0.057 0.000 1.024 224 V CB -0.502 31.333 31.823 0.020 0.000 0.648 224 V HN 0.125 nan 8.190 nan 0.000 0.447 225 V N 0.340 120.174 119.914 -0.133 0.000 2.287 225 V HA -0.293 3.830 4.120 0.005 0.000 0.248 225 V C 2.708 178.679 176.094 -0.205 0.000 1.053 225 V CA 2.157 64.321 62.300 -0.226 0.000 1.027 225 V CB -1.144 30.530 31.823 -0.249 0.000 0.646 225 V HN 0.576 nan 8.190 nan 0.000 0.447 226 A N -0.222 122.506 122.820 -0.154 0.000 1.933 226 A HA -0.096 4.228 4.320 0.005 0.000 0.218 226 A C 2.404 179.872 177.584 -0.193 0.000 1.175 226 A CA 1.999 53.938 52.037 -0.162 0.000 0.628 226 A CB -0.684 18.243 19.000 -0.122 0.000 0.814 226 A HN 0.582 nan 8.150 nan 0.000 0.444 227 A N -0.430 122.298 122.820 -0.153 0.000 1.898 227 A HA 0.143 4.466 4.320 0.005 0.000 0.216 227 A C 2.400 179.707 177.584 -0.462 0.000 1.181 227 A CA 1.823 53.770 52.037 -0.148 0.000 0.620 227 A CB -1.344 17.691 19.000 0.058 0.000 0.819 227 A HN 0.714 nan 8.150 nan 0.000 0.442 228 G N -0.100 108.185 108.800 -0.858 0.000 2.422 228 G HA2 -0.183 3.780 3.960 0.005 0.000 0.218 228 G HA3 -0.183 3.780 3.960 0.005 0.000 0.218 228 G C 1.539 175.902 174.900 -0.895 0.000 1.146 228 G CA 1.036 44.998 45.100 -1.897 0.000 0.769 228 G HN 0.436 nan 8.290 nan 0.000 0.547 229 L N 0.364 121.280 121.223 -0.511 0.000 2.083 229 L HA -0.073 4.270 4.340 0.005 0.000 0.209 229 L C 2.486 179.209 176.870 -0.246 0.000 1.083 229 L CA 1.200 55.859 54.840 -0.301 0.000 0.752 229 L CB -0.339 41.590 42.059 -0.216 0.000 0.899 229 L HN 0.125 nan 8.230 nan 0.000 0.433 230 D N 0.156 120.408 120.400 -0.248 0.000 2.144 230 D HA -0.117 4.527 4.640 0.005 0.000 0.200 230 D C 2.186 178.386 176.300 -0.166 0.000 0.978 230 D CA 1.422 55.317 54.000 -0.175 0.000 0.833 230 D CB 0.098 40.814 40.800 -0.141 0.000 0.961 230 D HN 0.297 nan 8.370 nan 0.000 0.470 231 A N 0.768 123.452 122.820 -0.227 0.000 2.121 231 A HA 0.059 4.382 4.320 0.005 0.000 0.218 231 A C 2.199 179.787 177.584 0.006 0.000 1.154 231 A CA 1.571 53.541 52.037 -0.112 0.000 0.679 231 A CB -0.245 18.688 19.000 -0.112 0.000 0.795 231 A HN 0.219 nan 8.150 nan 0.000 0.458 232 A N 0.011 122.802 122.820 -0.050 0.000 1.970 232 A HA -0.005 4.318 4.320 0.005 0.000 0.216 232 A C 2.011 179.634 177.584 0.065 0.000 1.170 232 A CA 1.272 53.357 52.037 0.081 0.000 0.645 232 A CB -0.267 18.706 19.000 -0.046 0.000 0.816 232 A HN 0.507 nan 8.150 nan 0.000 0.447 233 K N -0.178 120.197 120.400 -0.042 0.000 2.044 233 K HA -0.145 4.178 4.320 0.005 0.000 0.210 233 K C -0.733 175.823 176.600 -0.074 0.000 1.049 233 K CA 1.873 58.128 56.287 -0.054 0.000 0.927 233 K CB -1.217 31.236 32.500 -0.079 0.000 0.713 233 K HN 0.335 nan 8.250 nan 0.000 0.443 234 P HA -0.152 nan 4.420 nan 0.000 0.215 234 P C 1.045 178.220 177.300 -0.209 0.000 1.153 234 P CA 1.315 64.259 63.100 -0.260 0.000 0.853 234 P CB -0.030 31.398 31.700 -0.452 0.000 0.788 235 F N -1.139 118.831 119.950 0.033 0.000 2.146 235 F HA -0.093 4.437 4.527 0.005 0.000 0.298 235 F C 2.354 178.201 175.800 0.080 0.000 1.096 235 F CA 0.938 58.983 58.000 0.076 0.000 1.275 235 F CB -1.461 37.584 39.000 0.074 0.000 1.008 235 F HN -0.169 nan 8.300 nan 0.000 0.480 236 I N 0.078 120.773 120.570 0.208 0.000 2.208 236 I HA -0.345 3.828 4.170 0.005 0.000 0.245 236 I C 2.545 178.716 176.117 0.091 0.000 1.097 236 I CA 1.530 62.907 61.300 0.128 0.000 1.363 236 I CB -0.474 37.562 38.000 0.059 0.000 1.051 236 I HN 0.113 nan 8.210 nan 0.000 0.413 237 K N 0.860 121.288 120.400 0.047 0.000 2.032 237 K HA -0.180 4.143 4.320 0.005 0.000 0.209 237 K C 2.078 178.706 176.600 0.046 0.000 1.048 237 K CA 1.519 57.818 56.287 0.020 0.000 0.927 237 K CB -0.035 32.457 32.500 -0.015 0.000 0.712 237 K HN 0.085 nan 8.250 nan 0.000 0.441 238 V N 1.557 121.521 119.914 0.083 0.000 2.343 238 V HA -0.257 3.866 4.120 0.005 0.000 0.247 238 V C 2.251 178.433 176.094 0.147 0.000 1.051 238 V CA 1.663 64.031 62.300 0.113 0.000 1.036 238 V CB -0.337 31.580 31.823 0.157 0.000 0.654 238 V HN 0.320 nan 8.190 nan 0.000 0.451 239 L N -1.097 120.244 121.223 0.195 0.000 2.056 239 L HA -0.195 4.148 4.340 0.005 0.000 0.207 239 L C 2.599 179.519 176.870 0.083 0.000 1.078 239 L CA 1.516 56.495 54.840 0.232 0.000 0.749 239 L CB -0.713 41.529 42.059 0.305 0.000 0.901 239 L HN 0.366 nan 8.230 nan 0.000 0.433 240 C N -0.394 118.932 119.300 0.042 0.000 2.446 240 C HA -0.138 4.326 4.460 0.005 0.000 0.277 240 C C 2.874 177.830 174.990 -0.056 0.000 1.275 240 C CA 0.715 59.715 59.018 -0.031 0.000 1.727 240 C CB -0.518 27.204 27.740 -0.029 0.000 2.010 240 C HN 0.424 nan 8.230 nan 0.000 0.486 241 K N 2.125 122.514 120.400 -0.018 0.000 2.057 241 K HA -0.054 4.269 4.320 0.005 0.000 0.207 241 K C 2.003 178.585 176.600 -0.029 0.000 1.049 241 K CA 2.028 58.304 56.287 -0.019 0.000 0.931 241 K CB -0.645 31.860 32.500 0.007 0.000 0.714 241 K HN 0.354 nan 8.250 nan 0.000 0.440 242 A N 0.560 123.376 122.820 -0.008 0.000 1.902 242 A HA -0.213 4.110 4.320 0.005 0.000 0.217 242 A C 2.134 179.602 177.584 -0.194 0.000 1.181 242 A CA 1.808 53.842 52.037 -0.005 0.000 0.623 242 A CB -0.563 18.538 19.000 0.167 0.000 0.818 242 A HN 0.548 nan 8.150 nan 0.000 0.443 243 Q N -0.794 118.782 119.800 -0.374 0.000 2.079 243 Q HA -0.051 4.292 4.340 0.005 0.000 0.200 243 Q C 2.444 178.317 176.000 -0.211 0.000 0.974 243 Q CA 1.236 56.765 55.803 -0.458 0.000 0.840 243 Q CB -0.371 28.102 28.738 -0.442 0.000 0.898 243 Q HN 0.678 nan 8.270 nan 0.000 0.430 244 A N 1.304 124.038 122.820 -0.143 0.000 1.933 244 A HA -0.253 4.070 4.320 0.005 0.000 0.218 244 A C 1.736 179.277 177.584 -0.072 0.000 1.175 244 A CA 1.895 53.876 52.037 -0.094 0.000 0.628 244 A CB -0.569 18.385 19.000 -0.077 0.000 0.814 244 A HN 0.374 nan 8.150 nan 0.000 0.444 245 D N -0.638 119.725 120.400 -0.061 0.000 2.144 245 D HA -0.126 4.517 4.640 0.005 0.000 0.200 245 D C 1.749 178.028 176.300 -0.035 0.000 0.978 245 D CA 1.197 55.178 54.000 -0.033 0.000 0.833 245 D CB -0.219 40.581 40.800 -0.000 0.000 0.961 245 D HN 0.261 nan 8.370 nan 0.000 0.470 246 L N 0.447 121.644 121.223 -0.043 0.000 2.017 246 L HA 0.018 4.361 4.340 0.005 0.000 0.208 246 L C 2.251 179.095 176.870 -0.043 0.000 1.073 246 L CA 2.149 56.978 54.840 -0.018 0.000 0.745 246 L CB -0.942 41.103 42.059 -0.023 0.000 0.894 246 L HN 0.068 nan 8.230 nan 0.000 0.432 247 A N -0.618 122.170 122.820 -0.054 0.000 1.933 247 A HA -0.112 4.211 4.320 0.005 0.000 0.218 247 A C 2.424 179.975 177.584 -0.055 0.000 1.175 247 A CA 1.745 53.759 52.037 -0.039 0.000 0.628 247 A CB -1.121 17.860 19.000 -0.031 0.000 0.814 247 A HN 0.579 nan 8.150 nan 0.000 0.444 248 A N -0.115 122.666 122.820 -0.065 0.000 1.898 248 A HA -0.143 4.180 4.320 0.005 0.000 0.216 248 A C 2.114 179.629 177.584 -0.116 0.000 1.181 248 A CA 1.732 53.727 52.037 -0.070 0.000 0.620 248 A CB -0.389 18.578 19.000 -0.056 0.000 0.819 248 A HN 0.545 nan 8.150 nan 0.000 0.442 249 K N -0.309 119.992 120.400 -0.164 0.000 2.057 249 K HA -0.014 4.309 4.320 0.005 0.000 0.206 249 K C 2.293 178.546 176.600 -0.579 0.000 1.050 249 K CA 1.070 57.156 56.287 -0.335 0.000 0.935 249 K CB -0.297 32.004 32.500 -0.332 0.000 0.715 249 K HN 0.425 nan 8.250 nan 0.000 0.439 250 A N 1.241 123.836 122.820 -0.375 0.000 1.930 250 A HA 0.087 4.410 4.320 0.005 0.000 0.217 250 A C 1.474 179.014 177.584 -0.073 0.000 1.175 250 A CA 1.243 53.178 52.037 -0.170 0.000 0.627 250 A CB -0.487 18.534 19.000 0.035 0.000 0.815 250 A HN 0.347 nan 8.150 nan 0.000 0.443 251 A N -1.068 121.710 122.820 -0.071 0.000 2.745 251 A HA -0.217 4.106 4.320 0.005 0.000 0.296 251 A C 0.418 178.005 177.584 0.007 0.000 1.500 251 A CA 1.394 53.413 52.037 -0.031 0.000 0.766 251 A CB -2.233 16.744 19.000 -0.038 0.000 1.030 251 A HN 0.621 nan 8.150 nan 0.000 0.489 252 K N 0.283 120.697 120.400 0.024 0.000 2.336 252 K HA 0.359 4.682 4.320 0.005 0.000 0.262 252 K C -1.620 175.004 176.600 0.040 0.000 0.992 252 K CA -0.479 55.833 56.287 0.042 0.000 0.927 252 K CB 0.257 32.792 32.500 0.057 0.000 0.956 252 K HN 0.538 nan 8.250 nan 0.000 0.495 253 P HA 0.078 nan 4.420 nan 0.000 0.277 253 P C -0.913 176.420 177.300 0.055 0.000 1.240 253 P CA -0.377 62.744 63.100 0.035 0.000 0.798 253 P CB 0.787 32.500 31.700 0.022 0.000 0.979 254 T N 1.786 116.371 114.554 0.051 0.000 2.891 254 T HA 0.379 4.732 4.350 0.005 0.000 0.315 254 T C 0.913 175.637 174.700 0.040 0.000 1.054 254 T CA -0.225 61.925 62.100 0.082 0.000 0.958 254 T CB 0.093 69.007 68.868 0.077 0.000 1.008 254 T HN 0.575 nan 8.240 nan 0.000 0.521 255 G N 2.240 111.052 108.800 0.020 0.000 2.794 255 G HA2 0.110 4.073 3.960 0.005 0.000 0.249 255 G HA3 0.110 4.073 3.960 0.005 0.000 0.249 255 G C -0.062 174.651 174.900 -0.312 0.000 1.236 255 G CA -0.482 44.483 45.100 -0.226 0.000 0.880 255 G HN 0.520 nan 8.290 nan 0.000 0.586 256 E N 0.163 120.096 120.200 -0.445 0.000 1.963 256 E HA 0.245 4.598 4.350 0.005 0.000 0.274 256 E C -1.038 175.311 176.600 -0.418 0.000 1.061 256 E CA -0.038 56.190 56.400 -0.287 0.000 0.847 256 E CB 0.693 30.291 29.700 -0.171 0.000 1.083 256 E HN 0.210 nan 8.360 nan 0.000 0.402 257 F N 4.444 124.412 119.950 0.030 0.000 2.375 257 F HA 0.285 4.815 4.527 0.004 0.000 0.361 257 F C -1.524 174.286 175.800 0.017 0.000 1.117 257 F CA -2.505 55.504 58.000 0.016 0.000 1.037 257 F CB 1.037 40.045 39.000 0.013 0.000 1.192 257 F HN 0.137 nan 8.300 nan 0.000 0.452 258 P HA 0.204 nan 4.420 nan 0.000 0.269 258 P C -0.880 176.469 177.300 0.082 0.000 1.209 258 P CA -0.067 63.151 63.100 0.196 0.000 0.776 258 P CB 1.760 33.666 31.700 0.343 0.000 0.876 259 V N 3.642 123.662 119.914 0.176 0.000 2.540 259 V HA 0.358 4.481 4.120 0.005 0.000 0.302 259 V C -0.168 176.172 176.094 0.410 0.000 1.035 259 V CA -0.497 61.867 62.300 0.106 0.000 0.873 259 V CB 1.224 33.094 31.823 0.079 0.000 0.992 259 V HN 0.362 nan 8.190 nan 0.000 0.428 260 F N 3.884 123.838 119.950 0.007 0.000 2.458 260 F HA 0.640 5.171 4.527 0.006 0.000 0.330 260 F C 0.169 175.950 175.800 -0.031 0.000 1.082 260 F CA -1.883 56.114 58.000 -0.005 0.000 0.995 260 F CB 1.342 40.343 39.000 0.002 0.000 1.170 260 F HN 0.181 nan 8.300 nan 0.000 0.478 261 L N 1.920 123.224 121.223 0.134 0.000 2.334 261 L HA 0.309 4.652 4.340 0.005 0.000 0.277 261 L C 0.567 177.423 176.870 -0.024 0.000 1.075 261 L CA -0.347 54.486 54.840 -0.010 0.000 0.804 261 L CB 1.059 43.083 42.059 -0.059 0.000 1.174 261 L HN 0.527 nan 8.230 nan 0.000 0.438 262 D N 0.401 120.723 120.400 -0.130 0.000 2.183 262 D HA -0.052 4.592 4.640 0.005 0.000 0.203 262 D C -0.944 175.386 176.300 0.050 0.000 0.969 262 D CA 1.565 55.541 54.000 -0.039 0.000 0.842 262 D CB 0.160 40.935 40.800 -0.041 0.000 0.957 262 D HN 0.441 nan 8.370 nan 0.000 0.484 263 Y N -2.222 118.092 120.300 0.023 0.000 2.565 263 Y HA 0.433 4.985 4.550 0.004 0.000 0.330 263 Y C -1.068 174.826 175.900 -0.010 0.000 1.150 263 Y CA -1.487 56.608 58.100 -0.008 0.000 1.055 263 Y CB 0.403 38.849 38.460 -0.023 0.000 1.337 263 Y HN -0.364 nan 8.280 nan 0.000 0.457 264 Q N 1.963 121.874 119.800 0.185 0.000 2.317 264 Q HA 0.158 4.501 4.340 0.005 0.000 0.229 264 Q C 0.109 176.234 176.000 0.208 0.000 0.984 264 Q CA -0.063 55.815 55.803 0.125 0.000 0.911 264 Q CB 1.162 29.944 28.738 0.073 0.000 1.217 264 Q HN 0.892 nan 8.270 nan 0.000 0.501 265 D N 1.051 121.541 120.400 0.150 0.000 2.144 265 D HA -0.172 4.471 4.640 0.005 0.000 0.199 265 D C 1.296 177.646 176.300 0.083 0.000 0.984 265 D CA 1.235 55.321 54.000 0.143 0.000 0.834 265 D CB 0.075 40.936 40.800 0.101 0.000 0.955 265 D HN 0.608 nan 8.370 nan 0.000 0.465 266 D N 1.182 121.628 120.400 0.077 0.000 2.116 266 D HA -0.164 4.479 4.640 0.005 0.000 0.193 266 D C 2.210 178.514 176.300 0.005 0.000 0.998 266 D CA 0.953 55.007 54.000 0.090 0.000 0.836 266 D CB -0.900 40.000 40.800 0.167 0.000 0.951 266 D HN 0.213 nan 8.370 nan 0.000 0.449 267 V N 0.384 120.197 119.914 -0.168 0.000 2.407 267 V HA -0.198 3.926 4.120 0.005 0.000 0.248 267 V C 2.492 178.417 176.094 -0.281 0.000 1.055 267 V CA 1.477 63.507 62.300 -0.451 0.000 1.049 267 V CB -0.563 30.944 31.823 -0.526 0.000 0.662 267 V HN 0.190 nan 8.190 nan 0.000 0.455 268 L N 0.562 121.654 121.223 -0.217 0.000 2.109 268 L HA -0.056 4.288 4.340 0.005 0.000 0.207 268 L C 2.366 179.173 176.870 -0.105 0.000 1.086 268 L CA 2.186 56.877 54.840 -0.248 0.000 0.760 268 L CB -0.728 41.165 42.059 -0.276 0.000 0.910 268 L HN 0.463 nan 8.230 nan 0.000 0.437 269 E N -0.507 119.671 120.200 -0.036 0.000 2.107 269 E HA -0.124 4.229 4.350 0.005 0.000 0.191 269 E C 2.184 178.799 176.600 0.025 0.000 0.982 269 E CA 0.949 57.353 56.400 0.007 0.000 0.809 269 E CB -0.271 29.450 29.700 0.036 0.000 0.756 269 E HN 0.628 nan 8.360 nan 0.000 0.459 270 A N 1.552 124.401 122.820 0.049 0.000 1.835 270 A HA -0.186 4.137 4.320 0.005 0.000 0.215 270 A C 2.211 179.834 177.584 0.065 0.000 1.199 270 A CA 1.266 53.373 52.037 0.117 0.000 0.615 270 A CB -0.811 18.366 19.000 0.297 0.000 0.838 270 A HN 0.249 nan 8.150 nan 0.000 0.444 271 L N 0.102 121.327 121.223 0.004 0.000 2.043 271 L HA -0.168 4.176 4.340 0.005 0.000 0.212 271 L C 2.572 179.447 176.870 0.008 0.000 1.075 271 L CA 2.795 57.633 54.840 -0.003 0.000 0.752 271 L CB -0.924 41.103 42.059 -0.054 0.000 0.891 271 L HN 0.391 nan 8.230 nan 0.000 0.432 272 S N -0.790 114.904 115.700 -0.010 0.000 2.351 272 S HA -0.208 4.265 4.470 0.005 0.000 0.220 272 S C 2.162 176.768 174.600 0.011 0.000 1.035 272 S CA 1.457 59.654 58.200 -0.005 0.000 1.031 272 S CB -0.651 62.539 63.200 -0.016 0.000 0.928 272 S HN 0.695 nan 8.310 nan 0.000 0.433 273 A N 0.984 123.814 122.820 0.018 0.000 1.978 273 A HA 0.134 4.457 4.320 0.005 0.000 0.220 273 A C 2.347 179.946 177.584 0.026 0.000 1.170 273 A CA 1.961 54.011 52.037 0.023 0.000 0.636 273 A CB -1.117 17.901 19.000 0.030 0.000 0.810 273 A HN 0.767 nan 8.150 nan 0.000 0.448 274 A N -0.790 122.050 122.820 0.033 0.000 1.930 274 A HA 0.221 4.544 4.320 0.005 0.000 0.215 274 A C 1.702 179.303 177.584 0.027 0.000 1.176 274 A CA 1.850 53.907 52.037 0.033 0.000 0.632 274 A CB -0.338 18.689 19.000 0.046 0.000 0.819 274 A HN 1.295 nan 8.150 nan 0.000 0.445 275 V N -5.424 114.508 119.914 0.029 0.000 3.415 275 V HA 0.343 4.467 4.120 0.005 0.000 0.315 275 V C 1.385 177.498 176.094 0.032 0.000 1.516 275 V CA 0.116 62.435 62.300 0.032 0.000 1.122 275 V CB -0.264 31.586 31.823 0.044 0.000 0.988 275 V HN 0.333 nan 8.190 nan 0.000 0.474 276 R N 2.053 122.565 120.500 0.020 0.000 2.096 276 R HA -0.064 4.279 4.340 0.005 0.000 0.240 276 R C -0.514 175.789 176.300 0.006 0.000 1.139 276 R CA 2.790 58.895 56.100 0.009 0.000 0.952 276 R CB -1.340 28.961 30.300 0.001 0.000 0.854 276 R HN 0.499 nan 8.270 nan 0.000 0.436 277 P HA -0.014 nan 4.420 nan 0.000 0.218 277 P C 0.649 177.954 177.300 0.008 0.000 1.152 277 P CA 1.042 64.145 63.100 0.004 0.000 0.826 277 P CB 0.084 31.787 31.700 0.005 0.000 0.790 278 E N -0.456 119.754 120.200 0.016 0.000 2.028 278 E HA -0.139 4.215 4.350 0.005 0.000 0.191 278 E C 1.848 178.465 176.600 0.028 0.000 0.988 278 E CA 0.784 57.196 56.400 0.020 0.000 0.799 278 E CB -1.290 28.424 29.700 0.024 0.000 0.755 278 E HN 0.051 nan 8.360 nan 0.000 0.447 279 L N 0.559 121.806 121.223 0.040 0.000 2.042 279 L HA -0.182 4.162 4.340 0.005 0.000 0.210 279 L C 2.262 179.142 176.870 0.016 0.000 1.076 279 L CA 1.930 56.801 54.840 0.053 0.000 0.749 279 L CB -0.893 41.211 42.059 0.074 0.000 0.893 279 L HN 0.121 nan 8.230 nan 0.000 0.432 280 S N -1.111 114.589 115.700 0.000 0.000 2.382 280 S HA -0.161 4.313 4.470 0.005 0.000 0.228 280 S C 2.077 176.671 174.600 -0.011 0.000 1.027 280 S CA 1.214 59.403 58.200 -0.017 0.000 0.991 280 S CB -0.366 62.823 63.200 -0.018 0.000 0.823 280 S HN 0.658 nan 8.310 nan 0.000 0.469 281 A N 1.154 123.974 122.820 0.000 0.000 1.897 281 A HA 0.358 4.681 4.320 0.005 0.000 0.215 281 A C 2.467 180.056 177.584 0.007 0.000 1.181 281 A CA 1.528 53.567 52.037 0.002 0.000 0.620 281 A CB -1.369 17.634 19.000 0.006 0.000 0.821 281 A HN 0.714 nan 8.150 nan 0.000 0.443 282 A N 0.096 122.927 122.820 0.017 0.000 1.908 282 A HA -0.094 4.229 4.320 0.005 0.000 0.218 282 A C 1.947 179.543 177.584 0.021 0.000 1.181 282 A CA 1.532 53.584 52.037 0.026 0.000 0.627 282 A CB -0.725 18.302 19.000 0.044 0.000 0.818 282 A HN 0.484 nan 8.150 nan 0.000 0.445 283 L N 0.013 121.241 121.223 0.009 0.000 2.633 283 L HA -0.061 4.282 4.340 0.005 0.000 0.235 283 L C 1.609 178.476 176.870 -0.006 0.000 1.163 283 L CA 0.977 55.814 54.840 -0.004 0.000 0.859 283 L CB -0.515 41.521 42.059 -0.038 0.000 0.973 283 L HN 0.319 nan 8.230 nan 0.000 0.451 284 T N -0.691 113.862 114.554 -0.001 0.000 3.081 284 T HA 0.228 4.581 4.350 0.005 0.000 0.250 284 T C 0.901 175.604 174.700 0.005 0.000 1.100 284 T CA 0.049 62.148 62.100 -0.002 0.000 1.038 284 T CB 0.010 68.876 68.868 -0.004 0.000 0.962 284 T HN 0.107 nan 8.240 nan 0.000 0.516 285 I N 2.169 122.746 120.570 0.012 0.000 2.347 285 I HA 0.247 4.421 4.170 0.005 0.000 0.294 285 I C 1.620 177.748 176.117 0.019 0.000 1.090 285 I CA -0.645 60.665 61.300 0.015 0.000 1.314 285 I CB 0.838 38.850 38.000 0.019 0.000 1.423 285 I HN 0.088 nan 8.210 nan 0.000 0.503 286 A N 5.621 128.451 122.820 0.016 0.000 1.902 286 A HA -0.019 4.304 4.320 0.005 0.000 0.217 286 A C 1.640 179.237 177.584 0.022 0.000 1.181 286 A CA 1.149 53.197 52.037 0.018 0.000 0.623 286 A CB -0.820 18.189 19.000 0.014 0.000 0.818 286 A HN 0.775 nan 8.150 nan 0.000 0.443 287 G N -0.421 108.390 108.800 0.019 0.000 2.272 287 G HA2 0.215 4.178 3.960 0.005 0.000 0.247 287 G HA3 0.215 4.178 3.960 0.005 0.000 0.247 287 G C 0.662 175.578 174.900 0.025 0.000 1.272 287 G CA 0.403 45.514 45.100 0.019 0.000 0.921 287 G HN 0.597 nan 8.290 nan 0.000 0.495 288 K N 1.578 121.994 120.400 0.027 0.000 1.978 288 K HA -0.198 4.125 4.320 0.005 0.000 0.214 288 K C 2.618 179.238 176.600 0.033 0.000 1.049 288 K CA 1.889 58.196 56.287 0.033 0.000 0.939 288 K CB -0.152 32.367 32.500 0.032 0.000 0.721 288 K HN 0.728 nan 8.250 nan 0.000 0.441 289 Q N -0.171 119.646 119.800 0.027 0.000 2.224 289 Q HA -0.190 4.154 4.340 0.005 0.000 0.203 289 Q C 1.428 177.443 176.000 0.025 0.000 0.970 289 Q CA 1.468 57.286 55.803 0.026 0.000 0.865 289 Q CB -0.153 28.597 28.738 0.020 0.000 0.922 289 Q HN 0.411 nan 8.270 nan 0.000 0.445 290 D N 1.426 121.840 120.400 0.023 0.000 2.194 290 D HA -0.108 4.535 4.640 0.005 0.000 0.204 290 D C 1.999 178.314 176.300 0.025 0.000 0.964 290 D CA 0.650 54.663 54.000 0.021 0.000 0.846 290 D CB 0.151 40.961 40.800 0.017 0.000 0.962 290 D HN 0.335 nan 8.370 nan 0.000 0.490 291 R N 0.567 121.085 120.500 0.030 0.000 2.127 291 R HA -0.063 4.281 4.340 0.005 0.000 0.217 291 R C 1.784 178.112 176.300 0.047 0.000 1.074 291 R CA 0.768 56.890 56.100 0.036 0.000 0.991 291 R CB 0.021 30.345 30.300 0.039 0.000 0.895 291 R HN -0.155 nan 8.270 nan 0.000 0.450 292 E N 0.597 120.825 120.200 0.048 0.000 2.409 292 E HA -0.024 4.330 4.350 0.005 0.000 0.198 292 E C 1.359 177.986 176.600 0.046 0.000 1.024 292 E CA 1.036 57.469 56.400 0.056 0.000 0.861 292 E CB 0.092 29.824 29.700 0.052 0.000 0.788 292 E HN 0.479 nan 8.360 nan 0.000 0.521 293 A N 0.675 123.516 122.820 0.036 0.000 1.840 293 A HA -0.131 4.192 4.320 0.005 0.000 0.214 293 A C 2.082 179.683 177.584 0.028 0.000 1.198 293 A CA 1.296 53.349 52.037 0.027 0.000 0.608 293 A CB -0.504 18.509 19.000 0.021 0.000 0.839 293 A HN 0.168 nan 8.150 nan 0.000 0.443 294 E N 0.167 120.385 120.200 0.031 0.000 2.049 294 E HA -0.204 4.149 4.350 0.005 0.000 0.198 294 E C 2.108 178.733 176.600 0.043 0.000 1.007 294 E CA 1.359 57.778 56.400 0.032 0.000 0.809 294 E CB -0.544 29.177 29.700 0.034 0.000 0.749 294 E HN 0.637 nan 8.360 nan 0.000 0.450 295 L N 1.140 122.402 121.223 0.065 0.000 2.013 295 L HA -0.237 4.107 4.340 0.005 0.000 0.212 295 L C 2.158 179.060 176.870 0.053 0.000 1.073 295 L CA 1.407 56.309 54.840 0.103 0.000 0.753 295 L CB -0.505 41.642 42.059 0.147 0.000 0.890 295 L HN 0.042 nan 8.230 nan 0.000 0.432 296 D N -0.676 119.745 120.400 0.034 0.000 2.263 296 D HA -0.168 4.475 4.640 0.005 0.000 0.208 296 D C 2.213 178.502 176.300 -0.018 0.000 0.971 296 D CA 0.895 54.895 54.000 0.000 0.000 0.867 296 D CB 0.084 40.891 40.800 0.011 0.000 0.929 296 D HN 0.347 nan 8.370 nan 0.000 0.492 297 R N 0.862 121.360 120.500 -0.004 0.000 2.052 297 R HA -0.083 4.260 4.340 0.005 0.000 0.224 297 R C 2.400 178.689 176.300 -0.018 0.000 1.149 297 R CA 1.174 57.269 56.100 -0.008 0.000 0.962 297 R CB -0.293 30.010 30.300 0.004 0.000 0.856 297 R HN 0.059 nan 8.270 nan 0.000 0.433 298 V N -0.123 119.788 119.914 -0.004 0.000 2.688 298 V HA -0.171 3.952 4.120 0.005 0.000 0.256 298 V C 1.768 177.826 176.094 -0.060 0.000 1.084 298 V CA 1.823 64.121 62.300 -0.004 0.000 1.103 298 V CB -0.668 31.180 31.823 0.041 0.000 0.688 298 V HN 0.281 nan 8.190 nan 0.000 0.480 299 K N 0.688 121.015 120.400 -0.122 0.000 2.283 299 K HA 0.074 4.397 4.320 0.005 0.000 0.202 299 K C 2.253 178.768 176.600 -0.142 0.000 1.048 299 K CA 1.305 57.446 56.287 -0.243 0.000 0.948 299 K CB -0.244 32.092 32.500 -0.274 0.000 0.742 299 K HN 0.658 nan 8.250 nan 0.000 0.458 300 A N 1.068 123.841 122.820 -0.079 0.000 1.862 300 A HA -0.053 4.270 4.320 0.005 0.000 0.211 300 A C 1.953 179.518 177.584 -0.031 0.000 1.220 300 A CA 0.362 52.370 52.037 -0.047 0.000 0.616 300 A CB -0.529 18.453 19.000 -0.030 0.000 0.878 300 A HN 0.212 nan 8.150 nan 0.000 0.453 301 L N 0.187 121.397 121.223 -0.023 0.000 2.137 301 L HA -0.203 4.141 4.340 0.005 0.000 0.213 301 L C 2.359 179.226 176.870 -0.005 0.000 1.085 301 L CA 2.416 57.251 54.840 -0.009 0.000 0.760 301 L CB -0.690 41.368 42.059 -0.002 0.000 0.893 301 L HN 0.380 nan 8.230 nan 0.000 0.434 302 A N -0.670 122.139 122.820 -0.019 0.000 1.850 302 A HA 0.196 4.519 4.320 0.005 0.000 0.212 302 A C 2.364 179.946 177.584 -0.003 0.000 1.208 302 A CA 1.083 53.114 52.037 -0.010 0.000 0.609 302 A CB -1.291 17.689 19.000 -0.033 0.000 0.860 302 A HN 0.519 nan 8.150 nan 0.000 0.448 303 A N -0.500 122.300 122.820 -0.033 0.000 2.245 303 A HA -0.166 4.157 4.320 0.005 0.000 0.217 303 A C 1.921 179.511 177.584 0.011 0.000 1.171 303 A CA 1.840 53.869 52.037 -0.014 0.000 0.688 303 A CB -0.389 18.586 19.000 -0.042 0.000 0.781 303 A HN 0.613 nan 8.150 nan 0.000 0.479 304 E N 0.348 120.553 120.200 0.008 0.000 2.057 304 E HA -0.070 4.284 4.350 0.005 0.000 0.191 304 E C 1.767 178.380 176.600 0.022 0.000 0.959 304 E CA 0.951 57.357 56.400 0.011 0.000 0.828 304 E CB -0.269 29.433 29.700 0.003 0.000 0.800 304 E HN 0.590 nan 8.360 nan 0.000 0.460 305 K N 0.341 120.757 120.400 0.026 0.000 2.074 305 K HA -0.145 4.178 4.320 0.005 0.000 0.209 305 K C 1.995 178.628 176.600 0.056 0.000 1.048 305 K CA 1.270 57.576 56.287 0.032 0.000 0.926 305 K CB -0.179 32.342 32.500 0.036 0.000 0.713 305 K HN 0.080 nan 8.250 nan 0.000 0.444 306 L N 0.781 122.071 121.223 0.112 0.000 2.650 306 L HA 0.092 4.435 4.340 0.005 0.000 0.235 306 L C 0.305 177.294 176.870 0.198 0.000 1.149 306 L CA 0.829 55.818 54.840 0.249 0.000 0.887 306 L CB -0.400 41.872 42.059 0.355 0.000 1.021 306 L HN 0.076 nan 8.230 nan 0.000 0.441 307 L N 0.423 121.692 121.223 0.077 0.000 2.401 307 L HA 0.418 4.761 4.340 0.005 0.000 0.266 307 L C -1.632 175.236 176.870 -0.004 0.000 0.991 307 L CA -1.215 53.650 54.840 0.042 0.000 0.818 307 L CB 2.645 44.732 42.059 0.047 0.000 1.321 307 L HN -0.153 nan 8.230 nan 0.000 0.413 308 P HA 0.023 nan 4.420 nan 0.000 0.253 308 P C 0.636 177.896 177.300 -0.066 0.000 1.459 308 P CA 0.096 63.186 63.100 -0.016 0.000 0.908 308 P CB 0.363 32.054 31.700 -0.015 0.000 1.470 309 E N 0.231 120.340 120.200 -0.151 0.000 2.171 309 E HA -0.155 4.198 4.350 0.005 0.000 0.197 309 E C -0.347 175.955 176.600 -0.496 0.000 0.997 309 E CA 0.945 57.121 56.400 -0.374 0.000 0.810 309 E CB -0.168 29.193 29.700 -0.566 0.000 0.738 309 E HN 0.228 nan 8.360 nan 0.000 0.467 310 F N 1.488 121.440 119.950 0.003 0.000 2.366 310 F HA 0.287 4.815 4.527 0.002 0.000 0.357 310 F C -0.422 175.381 175.800 0.005 0.000 1.107 310 F CA -0.726 57.278 58.000 0.006 0.000 1.208 310 F CB 1.075 40.080 39.000 0.008 0.000 1.464 310 F HN -0.254 nan 8.300 nan 0.000 0.501 311 E N 1.292 121.571 120.200 0.133 0.000 2.194 311 E HA 0.414 4.767 4.350 0.005 0.000 0.284 311 E C 1.068 177.720 176.600 0.085 0.000 1.035 311 E CA 0.020 56.471 56.400 0.085 0.000 0.836 311 E CB 1.418 31.143 29.700 0.041 0.000 1.070 311 E HN 0.807 nan 8.360 nan 0.000 0.401 312 G N 4.049 112.893 108.800 0.073 0.000 2.136 312 G HA2 -0.267 3.696 3.960 0.005 0.000 0.242 312 G HA3 -0.267 3.696 3.960 0.005 0.000 0.242 312 G C 0.560 175.498 174.900 0.062 0.000 0.989 312 G CA -0.194 44.940 45.100 0.056 0.000 0.682 312 G HN 0.380 nan 8.290 nan 0.000 0.522 313 R N -0.298 120.252 120.500 0.082 0.000 2.633 313 R HA 0.308 4.652 4.340 0.005 0.000 0.348 313 R C 1.332 177.645 176.300 0.022 0.000 1.100 313 R CA 0.141 56.273 56.100 0.055 0.000 1.068 313 R CB 0.331 30.674 30.300 0.072 0.000 1.351 313 R HN 0.419 nan 8.270 nan 0.000 0.575 314 E N 1.395 121.616 120.200 0.035 0.000 2.031 314 E HA -0.122 4.231 4.350 0.005 0.000 0.193 314 E C 1.405 178.023 176.600 0.030 0.000 0.994 314 E CA 1.360 57.776 56.400 0.026 0.000 0.800 314 E CB 0.000 29.718 29.700 0.030 0.000 0.752 314 E HN 0.188 nan 8.360 nan 0.000 0.447 315 K N 0.617 121.043 120.400 0.042 0.000 2.218 315 K HA -0.192 4.132 4.320 0.005 0.000 0.205 315 K C 1.938 178.585 176.600 0.077 0.000 1.046 315 K CA 1.378 57.701 56.287 0.060 0.000 0.933 315 K CB -0.096 32.439 32.500 0.058 0.000 0.728 315 K HN 0.250 nan 8.250 nan 0.000 0.454 316 E N 0.445 120.677 120.200 0.054 0.000 2.086 316 E HA -0.111 4.243 4.350 0.005 0.000 0.190 316 E C 2.055 178.660 176.600 0.009 0.000 0.975 316 E CA 0.836 57.279 56.400 0.073 0.000 0.813 316 E CB -0.108 29.610 29.700 0.029 0.000 0.768 316 E HN 0.335 nan 8.360 nan 0.000 0.457 317 I N -0.351 120.189 120.570 -0.051 0.000 2.286 317 I HA -0.160 4.014 4.170 0.005 0.000 0.248 317 I C 2.159 178.282 176.117 0.010 0.000 1.115 317 I CA 1.201 62.452 61.300 -0.080 0.000 1.392 317 I CB -0.461 37.490 38.000 -0.082 0.000 1.065 317 I HN -0.187 nan 8.210 nan 0.000 0.418 318 S N 1.212 116.947 115.700 0.057 0.000 2.345 318 S HA -0.012 4.462 4.470 0.005 0.000 0.220 318 S C 2.322 177.025 174.600 0.172 0.000 1.031 318 S CA 1.304 59.584 58.200 0.133 0.000 0.996 318 S CB -0.744 62.522 63.200 0.111 0.000 0.882 318 S HN 0.678 nan 8.310 nan 0.000 0.445 319 A N 1.672 124.587 122.820 0.159 0.000 1.892 319 A HA -0.027 4.297 4.320 0.005 0.000 0.218 319 A C 2.338 180.024 177.584 0.169 0.000 1.188 319 A CA 1.960 54.132 52.037 0.226 0.000 0.631 319 A CB -1.154 18.045 19.000 0.331 0.000 0.822 319 A HN 0.532 nan 8.150 nan 0.000 0.447 320 A N -1.752 121.021 122.820 -0.078 0.000 1.930 320 A HA -0.085 4.238 4.320 0.005 0.000 0.217 320 A C 2.124 179.600 177.584 -0.180 0.000 1.175 320 A CA 1.633 53.352 52.037 -0.530 0.000 0.627 320 A CB -0.780 17.786 19.000 -0.724 0.000 0.815 320 A HN 0.775 nan 8.150 nan 0.000 0.443 321 Y N 0.895 121.116 120.300 -0.132 0.000 2.274 321 Y HA -0.192 4.362 4.550 0.006 0.000 0.290 321 Y C 2.358 178.250 175.900 -0.012 0.000 1.145 321 Y CA 1.919 59.980 58.100 -0.065 0.000 1.203 321 Y CB -0.235 38.206 38.460 -0.031 0.000 0.984 321 Y HN 0.295 nan 8.280 nan 0.000 0.533 322 R N -0.274 120.154 120.500 -0.121 0.000 2.062 322 R HA 0.023 4.366 4.340 0.005 0.000 0.226 322 R C 2.591 178.854 176.300 -0.062 0.000 1.125 322 R CA 0.949 56.975 56.100 -0.123 0.000 0.966 322 R CB -0.753 29.581 30.300 0.058 0.000 0.861 322 R HN 0.353 nan 8.270 nan 0.000 0.433 323 A N 1.764 124.593 122.820 0.015 0.000 1.917 323 A HA -0.194 4.129 4.320 0.005 0.000 0.219 323 A C 2.116 179.676 177.584 -0.040 0.000 1.182 323 A CA 1.321 53.392 52.037 0.058 0.000 0.633 323 A CB -0.481 18.630 19.000 0.186 0.000 0.819 323 A HN 0.231 nan 8.150 nan 0.000 0.448 324 L N -0.443 120.710 121.223 -0.118 0.000 2.027 324 L HA -0.071 4.272 4.340 0.005 0.000 0.206 324 L C 2.453 179.213 176.870 -0.183 0.000 1.074 324 L CA 2.822 57.581 54.840 -0.135 0.000 0.745 324 L CB -1.206 40.776 42.059 -0.127 0.000 0.898 324 L HN 0.362 nan 8.230 nan 0.000 0.433 325 T N -0.155 114.231 114.554 -0.280 0.000 2.684 325 T HA -0.261 4.092 4.350 0.005 0.000 0.267 325 T C 1.869 176.355 174.700 -0.357 0.000 1.036 325 T CA 1.863 63.772 62.100 -0.319 0.000 1.148 325 T CB -0.260 68.376 68.868 -0.387 0.000 0.863 325 T HN 0.348 nan 8.240 nan 0.000 0.436 326 K N 0.697 120.927 120.400 -0.284 0.000 2.044 326 K HA -0.166 4.158 4.320 0.005 0.000 0.210 326 K C 2.683 179.105 176.600 -0.297 0.000 1.049 326 K CA 1.769 57.845 56.287 -0.352 0.000 0.927 326 K CB -0.382 32.131 32.500 0.021 0.000 0.713 326 K HN 0.242 nan 8.250 nan 0.000 0.443 327 S N 0.558 116.160 115.700 -0.164 0.000 2.356 327 S HA -0.105 4.368 4.470 0.005 0.000 0.223 327 S C 2.006 176.519 174.600 -0.146 0.000 1.032 327 S CA 1.220 59.350 58.200 -0.116 0.000 1.005 327 S CB -0.288 62.871 63.200 -0.067 0.000 0.867 327 S HN 0.360 nan 8.310 nan 0.000 0.449 328 L N 1.000 122.124 121.223 -0.165 0.000 2.012 328 L HA -0.096 4.247 4.340 0.005 0.000 0.210 328 L C 2.525 179.286 176.870 -0.183 0.000 1.073 328 L CA 1.211 55.962 54.840 -0.148 0.000 0.748 328 L CB -0.690 41.288 42.059 -0.136 0.000 0.891 328 L HN 0.245 nan 8.230 nan 0.000 0.431 329 V N -0.238 119.496 119.914 -0.299 0.000 2.295 329 V HA -0.275 3.848 4.120 0.005 0.000 0.246 329 V C 2.603 178.554 176.094 -0.239 0.000 1.049 329 V CA 1.768 63.866 62.300 -0.337 0.000 1.024 329 V CB -0.635 30.771 31.823 -0.694 0.000 0.648 329 V HN 0.399 nan 8.190 nan 0.000 0.447 330 R N -0.073 120.280 120.500 -0.244 0.000 2.080 330 R HA -0.234 4.109 4.340 0.005 0.000 0.236 330 R C 2.406 178.658 176.300 -0.080 0.000 1.137 330 R CA 1.997 58.029 56.100 -0.113 0.000 0.943 330 R CB -0.451 29.805 30.300 -0.074 0.000 0.846 330 R HN 0.620 nan 8.270 nan 0.000 0.431 331 E N 0.759 120.904 120.200 -0.090 0.000 2.070 331 E HA -0.271 4.082 4.350 0.005 0.000 0.197 331 E C 2.154 178.714 176.600 -0.067 0.000 1.004 331 E CA 1.410 57.768 56.400 -0.069 0.000 0.805 331 E CB 0.002 29.659 29.700 -0.070 0.000 0.744 331 E HN 0.179 nan 8.360 nan 0.000 0.451 332 R N -0.082 120.373 120.500 -0.075 0.000 2.115 332 R HA -0.101 4.242 4.340 0.005 0.000 0.230 332 R C 2.200 178.472 176.300 -0.048 0.000 1.111 332 R CA 1.077 57.141 56.100 -0.060 0.000 0.976 332 R CB 0.024 30.287 30.300 -0.063 0.000 0.870 332 R HN 0.131 nan 8.270 nan 0.000 0.445 333 V N 1.095 120.982 119.914 -0.045 0.000 2.358 333 V HA -0.234 3.889 4.120 0.005 0.000 0.246 333 V C 2.215 178.292 176.094 -0.029 0.000 1.047 333 V CA 1.689 63.975 62.300 -0.023 0.000 1.035 333 V CB -0.241 31.579 31.823 -0.003 0.000 0.658 333 V HN 0.298 nan 8.190 nan 0.000 0.452 334 I N 0.166 120.710 120.570 -0.043 0.000 2.193 334 I HA -0.122 4.051 4.170 0.005 0.000 0.240 334 I C 2.641 178.700 176.117 -0.097 0.000 1.084 334 I CA 1.361 62.619 61.300 -0.070 0.000 1.365 334 I CB -0.737 37.215 38.000 -0.080 0.000 1.064 334 I HN 0.247 nan 8.210 nan 0.000 0.410 335 A N 0.936 123.706 122.820 -0.083 0.000 1.821 335 A HA -0.151 4.172 4.320 0.005 0.000 0.215 335 A C 2.198 179.746 177.584 -0.060 0.000 1.214 335 A CA 1.485 53.475 52.037 -0.079 0.000 0.608 335 A CB -0.546 18.417 19.000 -0.062 0.000 0.862 335 A HN 0.335 nan 8.150 nan 0.000 0.448 336 E N -0.552 119.621 120.200 -0.046 0.000 2.285 336 E HA -0.043 4.310 4.350 0.005 0.000 0.194 336 E C -0.119 176.464 176.600 -0.028 0.000 0.997 336 E CA 0.542 56.922 56.400 -0.034 0.000 0.845 336 E CB -0.046 29.637 29.700 -0.028 0.000 0.782 336 E HN 0.432 nan 8.360 nan 0.000 0.491 337 K N 0.161 120.543 120.400 -0.029 0.000 3.192 337 K HA -0.160 4.163 4.320 0.005 0.000 0.278 337 K C -0.348 176.247 176.600 -0.008 0.000 1.164 337 K CA 0.648 56.924 56.287 -0.018 0.000 0.816 337 K CB -1.793 30.697 32.500 -0.017 0.000 1.256 337 K HN 0.215 nan 8.250 nan 0.000 0.497 338 K N 0.625 121.019 120.400 -0.010 0.000 2.316 338 K HA 0.430 4.754 4.320 0.005 0.000 0.251 338 K C 0.174 176.775 176.600 0.001 0.000 0.934 338 K CA -0.808 55.477 56.287 -0.003 0.000 0.802 338 K CB 1.822 34.318 32.500 -0.007 0.000 1.171 338 K HN 0.026 nan 8.250 nan 0.000 0.426 339 R N 1.304 121.812 120.500 0.013 0.000 2.553 339 R HA 0.305 4.648 4.340 0.005 0.000 0.263 339 R C 1.373 177.691 176.300 0.029 0.000 1.066 339 R CA -0.496 55.621 56.100 0.027 0.000 1.135 339 R CB 0.606 30.931 30.300 0.041 0.000 1.148 339 R HN 0.621 nan 8.270 nan 0.000 0.558 340 I N 1.383 121.984 120.570 0.051 0.000 2.657 340 I HA -0.242 3.932 4.170 0.005 0.000 0.261 340 I C 0.773 176.920 176.117 0.051 0.000 1.212 340 I CA 1.643 62.976 61.300 0.055 0.000 1.453 340 I CB -0.003 38.066 38.000 0.115 0.000 1.092 340 I HN 0.677 nan 8.210 nan 0.000 0.452 341 D N -0.671 119.758 120.400 0.047 0.000 2.402 341 D HA 0.135 4.779 4.640 0.005 0.000 0.216 341 D C 1.365 177.680 176.300 0.025 0.000 1.128 341 D CA 0.639 54.661 54.000 0.037 0.000 0.833 341 D CB 0.376 41.198 40.800 0.037 0.000 0.971 341 D HN 0.365 nan 8.370 nan 0.000 0.503 342 G N 0.764 109.577 108.800 0.021 0.000 2.217 342 G HA2 -0.308 3.656 3.960 0.005 0.000 0.246 342 G HA3 -0.308 3.656 3.960 0.005 0.000 0.246 342 G C 0.486 175.393 174.900 0.012 0.000 0.990 342 G CA -0.041 45.068 45.100 0.014 0.000 0.627 342 G HN 0.444 nan 8.290 nan 0.000 0.522 343 R N 0.604 121.114 120.500 0.016 0.000 2.707 343 R HA 0.487 4.830 4.340 0.005 0.000 0.270 343 R C 1.068 177.375 176.300 0.012 0.000 1.083 343 R CA 0.402 56.510 56.100 0.013 0.000 1.182 343 R CB 0.386 30.696 30.300 0.017 0.000 1.084 343 R HN 0.300 nan 8.270 nan 0.000 0.528 344 G N -0.664 108.141 108.800 0.009 0.000 2.437 344 G HA2 0.284 4.248 3.960 0.005 0.000 0.319 344 G HA3 0.284 4.248 3.960 0.005 0.000 0.319 344 G C 1.104 176.011 174.900 0.012 0.000 1.158 344 G CA -0.545 44.560 45.100 0.008 0.000 0.899 344 G HN 0.520 nan 8.290 nan 0.000 0.502 345 V N -0.895 119.029 119.914 0.016 0.000 2.511 345 V HA -0.192 3.931 4.120 0.005 0.000 0.257 345 V C 2.059 178.166 176.094 0.021 0.000 1.088 345 V CA 2.689 65.003 62.300 0.024 0.000 1.098 345 V CB -1.301 30.540 31.823 0.030 0.000 0.674 345 V HN 0.900 nan 8.190 nan 0.000 0.470 346 T N -3.935 110.628 114.554 0.014 0.000 3.092 346 T HA 0.225 4.578 4.350 0.005 0.000 0.258 346 T C 0.217 174.919 174.700 0.004 0.000 1.031 346 T CA -0.206 61.901 62.100 0.011 0.000 0.925 346 T CB -0.383 68.489 68.868 0.008 0.000 1.036 346 T HN 0.518 nan 8.240 nan 0.000 0.544 347 D N 1.923 122.326 120.400 0.006 0.000 2.351 347 D HA 0.347 4.990 4.640 0.005 0.000 0.251 347 D C 0.026 176.337 176.300 0.018 0.000 1.137 347 D CA -0.169 53.834 54.000 0.005 0.000 0.879 347 D CB 1.357 42.160 40.800 0.005 0.000 1.181 347 D HN 0.424 nan 8.370 nan 0.000 0.448 348 I N 2.274 122.862 120.570 0.031 0.000 2.385 348 I HA 0.215 4.388 4.170 0.005 0.000 0.294 348 I C 1.323 177.466 176.117 0.043 0.000 0.988 348 I CA -0.732 60.600 61.300 0.054 0.000 1.265 348 I CB 1.198 39.266 38.000 0.114 0.000 1.388 348 I HN 0.038 nan 8.210 nan 0.000 0.480 349 R N 2.529 123.047 120.500 0.029 0.000 2.893 349 R HA 0.130 4.474 4.340 0.005 0.000 0.279 349 R C -0.080 176.222 176.300 0.003 0.000 1.076 349 R CA -0.148 55.959 56.100 0.012 0.000 1.203 349 R CB 0.142 30.443 30.300 0.001 0.000 1.137 349 R HN 0.528 nan 8.270 nan 0.000 0.541 350 T N 2.506 117.051 114.554 -0.014 0.000 2.871 350 T HA 0.089 4.442 4.350 0.005 0.000 0.296 350 T C 0.351 175.003 174.700 -0.080 0.000 0.998 350 T CA 0.203 62.286 62.100 -0.028 0.000 1.162 350 T CB 0.009 68.858 68.868 -0.032 0.000 0.947 350 T HN 0.196 nan 8.240 nan 0.000 0.536 351 L N 2.162 123.338 121.223 -0.078 0.000 2.387 351 L HA 0.803 5.146 4.340 0.005 0.000 0.266 351 L C 0.293 177.063 176.870 -0.167 0.000 1.059 351 L CA -1.016 53.724 54.840 -0.167 0.000 0.801 351 L CB 1.196 43.190 42.059 -0.109 0.000 1.223 351 L HN 0.733 nan 8.230 nan 0.000 0.456 352 A N 1.344 124.014 122.820 -0.249 0.000 2.530 352 A HA 0.781 5.104 4.320 0.005 0.000 0.297 352 A C -1.402 176.093 177.584 -0.148 0.000 1.059 352 A CA -0.205 51.736 52.037 -0.160 0.000 0.782 352 A CB 1.420 20.335 19.000 -0.141 0.000 1.301 352 A HN 0.787 nan 8.150 nan 0.000 0.394 353 A N 2.237 125.035 122.820 -0.037 0.000 2.449 353 A HA 0.972 5.296 4.320 0.005 0.000 0.302 353 A C -0.772 176.832 177.584 0.034 0.000 1.048 353 A CA 0.113 52.178 52.037 0.047 0.000 0.708 353 A CB 1.308 20.378 19.000 0.116 0.000 1.274 353 A HN 1.705 nan 8.150 nan 0.000 0.410 354 E N -0.022 120.207 120.200 0.050 0.000 2.388 354 E HA 0.596 4.949 4.350 0.005 0.000 0.280 354 E C -1.020 175.604 176.600 0.040 0.000 1.019 354 E CA -0.937 55.483 56.400 0.033 0.000 0.806 354 E CB 1.354 31.065 29.700 0.018 0.000 1.246 354 E HN 1.128 nan 8.360 nan 0.000 0.443 355 V N -1.388 118.544 119.914 0.029 0.000 3.284 355 V HA 0.561 4.685 4.120 0.005 0.000 0.309 355 V C 0.205 176.314 176.094 0.025 0.000 1.190 355 V CA -0.817 61.501 62.300 0.029 0.000 1.038 355 V CB 1.230 33.066 31.823 0.022 0.000 1.198 355 V HN 0.924 nan 8.190 nan 0.000 0.465 356 E N -0.634 119.582 120.200 0.026 0.000 2.252 356 E HA -0.265 4.088 4.350 0.005 0.000 0.218 356 E C 0.936 177.549 176.600 0.022 0.000 1.253 356 E CA 0.897 57.312 56.400 0.024 0.000 0.705 356 E CB -1.367 28.345 29.700 0.019 0.000 1.172 356 E HN 1.145 nan 8.360 nan 0.000 0.369 357 A N -0.318 122.517 122.820 0.025 0.000 2.081 357 A HA 0.111 4.434 4.320 0.005 0.000 0.214 357 A C 0.882 178.477 177.584 0.017 0.000 1.158 357 A CA 0.495 52.545 52.037 0.022 0.000 0.724 357 A CB 0.553 19.571 19.000 0.029 0.000 0.826 357 A HN 0.195 nan 8.150 nan 0.000 0.463 358 I N 0.792 121.373 120.570 0.019 0.000 2.545 358 I HA 0.380 4.554 4.170 0.005 0.000 0.292 358 I C -2.521 173.604 176.117 0.014 0.000 1.040 358 I CA -3.144 58.164 61.300 0.014 0.000 1.068 358 I CB 1.339 39.346 38.000 0.013 0.000 1.251 358 I HN 0.010 nan 8.210 nan 0.000 0.424 359 P HA 0.385 nan 4.420 nan 0.000 0.274 359 P C 0.220 177.529 177.300 0.014 0.000 1.246 359 P CA -0.154 62.954 63.100 0.013 0.000 0.795 359 P CB 1.075 32.780 31.700 0.009 0.000 1.006 360 R N -2.348 118.166 120.500 0.024 0.000 3.154 360 R HA -0.210 4.134 4.340 0.005 0.000 0.235 360 R C 0.842 177.167 176.300 0.041 0.000 0.808 360 R CA 1.889 58.008 56.100 0.031 0.000 1.801 360 R CB -2.914 27.395 30.300 0.015 0.000 1.411 360 R HN 0.578 nan 8.270 nan 0.000 0.589 361 V N -0.162 119.760 119.914 0.013 0.000 2.901 361 V HA -0.092 4.031 4.120 0.005 0.000 0.307 361 V C 1.619 177.767 176.094 0.090 0.000 1.084 361 V CA 0.751 63.042 62.300 -0.014 0.000 1.184 361 V CB 0.617 32.425 31.823 -0.024 0.000 0.941 361 V HN 0.322 nan 8.190 nan 0.000 0.493 362 H N 3.099 122.182 119.070 0.022 0.000 2.390 362 H HA 0.167 4.726 4.556 0.006 0.000 0.298 362 H C 1.150 176.490 175.328 0.020 0.000 1.106 362 H CA 0.763 56.824 56.048 0.020 0.000 1.297 362 H CB 0.224 30.000 29.762 0.023 0.000 1.375 362 H HN 0.964 nan 8.280 nan 0.000 0.509 363 G N -0.729 108.157 108.800 0.145 0.000 2.702 363 G HA2 0.438 4.401 3.960 0.005 0.000 0.296 363 G HA3 0.438 4.401 3.960 0.005 0.000 0.296 363 G C -1.420 173.520 174.900 0.067 0.000 1.463 363 G CA -0.172 44.982 45.100 0.089 0.000 0.890 363 G HN 0.288 nan 8.290 nan 0.000 0.534 364 S N -0.862 114.870 115.700 0.053 0.000 2.565 364 S HA 0.980 5.453 4.470 0.005 0.000 0.269 364 S C -0.646 173.983 174.600 0.048 0.000 1.153 364 S CA -0.151 58.078 58.200 0.050 0.000 0.835 364 S CB 1.789 65.014 63.200 0.041 0.000 1.122 364 S HN 2.532 nan 8.310 nan 0.000 0.462 365 A N 0.490 123.345 122.820 0.057 0.000 2.589 365 A HA 0.782 5.106 4.320 0.005 0.000 0.296 365 A C -2.064 175.572 177.584 0.086 0.000 1.062 365 A CA -0.630 51.447 52.037 0.066 0.000 0.686 365 A CB 1.554 20.593 19.000 0.065 0.000 1.282 365 A HN 1.397 nan 8.150 nan 0.000 0.404 366 L N 1.530 122.808 121.223 0.092 0.000 2.356 366 L HA 0.838 5.182 4.340 0.005 0.000 0.277 366 L C -1.479 175.481 176.870 0.150 0.000 0.996 366 L CA -0.531 54.369 54.840 0.100 0.000 0.822 366 L CB 1.176 43.266 42.059 0.051 0.000 1.256 366 L HN 0.676 nan 8.230 nan 0.000 0.413 367 F N 3.938 123.897 119.950 0.015 0.000 2.507 367 F HA 0.655 5.185 4.527 0.005 0.000 0.325 367 F C -0.537 175.271 175.800 0.012 0.000 1.116 367 F CA -0.213 57.792 58.000 0.009 0.000 0.930 367 F CB 1.533 40.540 39.000 0.011 0.000 1.146 367 F HN 0.572 nan 8.300 nan 0.000 0.447 368 E N 4.715 124.426 120.200 -0.815 0.000 2.272 368 E HA 0.458 4.811 4.350 0.005 0.000 0.269 368 E C -1.240 174.896 176.600 -0.774 0.000 0.877 368 E CA -1.039 55.015 56.400 -0.577 0.000 0.755 368 E CB 2.193 31.725 29.700 -0.280 0.000 1.192 368 E HN 0.580 nan 8.360 nan 0.000 0.422 369 R N 2.738 122.976 120.500 -0.437 0.000 2.797 369 R HA 0.405 4.749 4.340 0.005 0.000 0.274 369 R C 0.077 176.318 176.300 -0.098 0.000 1.652 369 R CA 0.477 56.424 56.100 -0.254 0.000 1.175 369 R CB 0.445 30.677 30.300 -0.114 0.000 1.283 369 R HN 0.798 nan 8.270 nan 0.000 0.513 370 G N 2.656 111.406 108.800 -0.082 0.000 2.527 370 G HA2 -0.351 3.612 3.960 0.005 0.000 0.268 370 G HA3 -0.351 3.612 3.960 0.005 0.000 0.268 370 G C 0.441 175.321 174.900 -0.033 0.000 1.175 370 G CA 0.310 45.387 45.100 -0.037 0.000 0.962 370 G HN 0.642 nan 8.290 nan 0.000 0.560 371 E N 0.466 120.662 120.200 -0.007 0.000 2.427 371 E HA 0.102 4.455 4.350 0.005 0.000 0.196 371 E C 0.763 177.371 176.600 0.013 0.000 1.028 371 E CA 0.735 57.137 56.400 0.003 0.000 0.864 371 E CB -0.015 29.695 29.700 0.017 0.000 0.813 371 E HN 0.350 nan 8.360 nan 0.000 0.514 372 T N 1.698 116.263 114.554 0.019 0.000 2.779 372 T HA 0.101 4.454 4.350 0.005 0.000 0.296 372 T C -0.265 174.454 174.700 0.032 0.000 0.938 372 T CA 0.175 62.307 62.100 0.054 0.000 1.119 372 T CB 0.760 69.682 68.868 0.090 0.000 0.891 372 T HN 0.050 nan 8.240 nan 0.000 0.526 373 Q N 4.001 123.834 119.800 0.054 0.000 2.292 373 Q HA 0.488 4.831 4.340 0.005 0.000 0.270 373 Q C -1.597 174.462 176.000 0.098 0.000 1.024 373 Q CA -0.809 55.021 55.803 0.046 0.000 0.768 373 Q CB 0.880 29.626 28.738 0.014 0.000 1.250 373 Q HN 0.440 nan 8.270 nan 0.000 0.447 374 I N 4.533 125.199 120.570 0.159 0.000 2.436 374 I HA 0.326 4.499 4.170 0.005 0.000 0.289 374 I C -0.809 175.395 176.117 0.145 0.000 1.010 374 I CA -0.864 60.537 61.300 0.169 0.000 1.098 374 I CB 1.424 39.568 38.000 0.240 0.000 1.266 374 I HN 0.627 nan 8.210 nan 0.000 0.434 375 L N 6.005 127.286 121.223 0.097 0.000 2.282 375 L HA 0.816 5.159 4.340 0.005 0.000 0.288 375 L C 0.121 177.043 176.870 0.087 0.000 1.033 375 L CA 0.189 55.078 54.840 0.081 0.000 0.807 375 L CB 1.397 43.487 42.059 0.052 0.000 1.209 375 L HN 0.675 nan 8.230 nan 0.000 0.423 376 G N 4.562 113.418 108.800 0.092 0.000 2.415 376 G HA2 0.631 4.594 3.960 0.005 0.000 0.327 376 G HA3 0.631 4.594 3.960 0.005 0.000 0.327 376 G C -1.636 173.310 174.900 0.076 0.000 1.182 376 G CA -0.449 44.710 45.100 0.098 0.000 0.924 376 G HN 0.528 nan 8.290 nan 0.000 0.470 377 V N 1.395 121.353 119.914 0.074 0.000 2.638 377 V HA 0.572 4.696 4.120 0.005 0.000 0.306 377 V C -0.068 176.066 176.094 0.066 0.000 1.052 377 V CA -0.682 61.650 62.300 0.054 0.000 0.885 377 V CB 2.124 33.962 31.823 0.025 0.000 0.999 377 V HN 0.810 nan 8.190 nan 0.000 0.424 378 T N 2.779 117.378 114.554 0.074 0.000 2.859 378 T HA 0.636 4.990 4.350 0.005 0.000 0.281 378 T C -0.238 174.518 174.700 0.094 0.000 1.005 378 T CA -0.428 61.734 62.100 0.104 0.000 1.025 378 T CB 1.605 70.551 68.868 0.131 0.000 0.977 378 T HN 0.695 nan 8.240 nan 0.000 0.458 379 T N 3.223 117.843 114.554 0.109 0.000 2.881 379 T HA 0.577 4.930 4.350 0.005 0.000 0.290 379 T C -0.790 174.085 174.700 0.292 0.000 1.000 379 T CA -0.630 61.534 62.100 0.106 0.000 0.978 379 T CB 0.737 69.587 68.868 -0.031 0.000 0.997 379 T HN 0.346 nan 8.240 nan 0.000 0.443 380 L N 3.757 125.334 121.223 0.590 0.000 2.325 380 L HA 0.588 4.932 4.340 0.005 0.000 0.281 380 L C 0.147 177.193 176.870 0.293 0.000 1.004 380 L CA -0.678 54.333 54.840 0.286 0.000 0.823 380 L CB 1.438 43.492 42.059 -0.009 0.000 1.236 380 L HN 0.600 nan 8.230 nan 0.000 0.415 387 Q N 1.489 121.301 119.800 0.020 0.000 2.364 387 Q HA 0.083 4.426 4.340 0.005 0.000 0.267 387 Q C -0.746 175.263 176.000 0.015 0.000 0.999 387 Q CA -0.038 55.772 55.803 0.013 0.000 0.886 387 Q CB 0.877 29.620 28.738 0.008 0.000 1.243 387 Q HN 0.376 nan 8.270 nan 0.000 0.415 388 Q N 3.582 123.389 119.800 0.012 0.000 2.293 388 Q HA 0.464 4.807 4.340 0.005 0.000 0.261 388 Q C -1.012 174.996 176.000 0.014 0.000 0.960 388 Q CA -0.342 55.469 55.803 0.013 0.000 0.882 388 Q CB 1.512 30.258 28.738 0.013 0.000 1.275 388 Q HN 0.632 nan 8.270 nan 0.000 0.445 389 L N 1.607 122.838 121.223 0.014 0.000 2.365 389 L HA 0.457 4.800 4.340 0.005 0.000 0.273 389 L C -0.292 176.588 176.870 0.016 0.000 1.000 389 L CA -0.702 54.147 54.840 0.015 0.000 0.819 389 L CB 1.970 44.037 42.059 0.014 0.000 1.284 389 L HN 0.425 nan 8.230 nan 0.000 0.418 390 D N 1.744 122.155 120.400 0.019 0.000 2.443 390 D HA 0.282 4.925 4.640 0.005 0.000 0.281 390 D C -0.334 175.980 176.300 0.023 0.000 1.210 390 D CA -0.061 53.952 54.000 0.021 0.000 0.875 390 D CB 0.880 41.694 40.800 0.025 0.000 1.125 390 D HN 0.653 nan 8.370 nan 0.000 0.503 391 T N -1.901 112.668 114.554 0.026 0.000 2.676 391 T HA 0.432 4.785 4.350 0.005 0.000 0.269 391 T C 0.876 175.605 174.700 0.048 0.000 0.952 391 T CA -0.741 61.381 62.100 0.037 0.000 1.040 391 T CB 0.443 69.341 68.868 0.049 0.000 1.352 391 T HN 0.069 nan 8.240 nan 0.000 0.554 392 L N 1.618 122.890 121.223 0.083 0.000 2.939 392 L HA 0.373 4.717 4.340 0.005 0.000 0.239 392 L C 0.660 177.617 176.870 0.144 0.000 1.325 392 L CA -0.206 54.703 54.840 0.115 0.000 1.170 392 L CB -0.477 41.674 42.059 0.152 0.000 1.538 392 L HN 0.702 nan 8.230 nan 0.000 0.452 393 S N -0.502 115.245 115.700 0.077 0.000 2.548 393 S HA 0.517 4.991 4.470 0.005 0.000 0.286 393 S C -1.741 172.841 174.600 -0.030 0.000 1.098 393 S CA -1.209 57.013 58.200 0.036 0.000 0.930 393 S CB 1.846 65.060 63.200 0.024 0.000 1.070 393 S HN 0.023 nan 8.310 nan 0.000 0.480 394 P HA 0.039 nan 4.420 nan 0.000 0.226 394 P C 0.181 177.418 177.300 -0.106 0.000 1.153 394 P CA 0.402 63.410 63.100 -0.154 0.000 0.777 394 P CB -0.146 31.352 31.700 -0.336 0.000 0.794 395 V N 2.155 122.014 119.914 -0.090 0.000 2.485 395 V HA 0.030 4.153 4.120 0.005 0.000 0.287 395 V C 1.871 177.954 176.094 -0.020 0.000 1.022 395 V CA 1.295 63.567 62.300 -0.046 0.000 1.067 395 V CB 0.339 32.146 31.823 -0.026 0.000 0.967 395 V HN 0.277 nan 8.190 nan 0.000 0.479 396 T N 1.991 116.537 114.554 -0.012 0.000 2.975 396 T HA 0.221 4.574 4.350 0.005 0.000 0.257 396 T C 0.515 175.219 174.700 0.007 0.000 1.003 396 T CA -0.355 61.744 62.100 -0.001 0.000 0.932 396 T CB 0.302 69.169 68.868 -0.003 0.000 1.087 396 T HN 0.672 nan 8.240 nan 0.000 0.512 397 R N 0.125 120.631 120.500 0.010 0.000 2.774 397 R HA 0.683 5.027 4.340 0.005 0.000 0.272 397 R C -1.885 174.432 176.300 0.029 0.000 1.000 397 R CA -0.932 55.179 56.100 0.018 0.000 0.906 397 R CB 1.710 32.021 30.300 0.019 0.000 1.227 397 R HN 0.057 nan 8.270 nan 0.000 0.468 398 K N 1.511 121.933 120.400 0.037 0.000 2.640 398 K HA 0.232 4.555 4.320 0.005 0.000 0.245 398 K C 0.388 177.032 176.600 0.072 0.000 0.962 398 K CA -0.446 55.874 56.287 0.055 0.000 0.896 398 K CB 1.824 34.349 32.500 0.041 0.000 1.147 398 K HN 0.766 nan 8.250 nan 0.000 0.445 399 R N 2.741 123.304 120.500 0.105 0.000 2.115 399 R HA -0.037 4.306 4.340 0.005 0.000 0.226 399 R C 0.036 176.459 176.300 0.205 0.000 1.100 399 R CA 1.123 57.305 56.100 0.136 0.000 0.980 399 R CB 0.128 30.512 30.300 0.141 0.000 0.875 399 R HN 0.524 nan 8.270 nan 0.000 0.445 403 N N 3.636 122.049 118.700 -0.479 0.000 2.314 403 N HA 0.173 4.917 4.740 0.005 0.000 0.294 403 N C -1.687 173.569 175.510 -0.423 0.000 1.029 403 N CA -0.608 52.236 53.050 -0.343 0.000 0.845 403 N CB 2.357 40.746 38.487 -0.163 0.000 1.321 403 N HN 0.309 nan 8.380 nan 0.000 0.481 404 Y N 2.547 122.627 120.300 -0.367 0.000 2.328 404 Y HA 0.404 4.957 4.550 0.005 0.000 0.333 404 Y C -1.257 174.613 175.900 -0.050 0.000 0.958 404 Y CA -0.794 57.194 58.100 -0.187 0.000 1.167 404 Y CB 0.669 39.083 38.460 -0.077 0.000 1.151 404 Y HN 0.458 nan 8.280 nan 0.000 0.470 405 N N 6.632 125.041 118.700 -0.484 0.000 2.400 405 N HA 0.249 4.992 4.740 0.005 0.000 0.288 405 N C -1.882 173.326 175.510 -0.504 0.000 1.024 405 N CA -0.369 52.457 53.050 -0.372 0.000 0.894 405 N CB 1.643 39.996 38.487 -0.223 0.000 1.173 405 N HN 0.702 nan 8.380 nan 0.000 0.487 406 F N 4.485 124.160 119.950 -0.458 0.000 2.564 406 F HA 0.393 4.923 4.527 0.005 0.000 0.368 406 F C -2.237 173.397 175.800 -0.277 0.000 1.127 406 F CA -1.796 55.990 58.000 -0.357 0.000 1.170 406 F CB 1.071 39.975 39.000 -0.160 0.000 1.397 406 F HN 0.290 nan 8.300 nan 0.000 0.493 407 P HA 0.281 nan 4.420 nan 0.000 0.277 407 P C -2.542 174.304 177.300 -0.757 0.000 1.240 407 P CA -1.355 61.340 63.100 -0.675 0.000 0.798 407 P CB 1.270 32.368 31.700 -1.004 0.000 0.979 408 P HA -0.171 nan 4.420 nan 0.000 0.216 408 P C 1.427 178.588 177.300 -0.231 0.000 1.150 408 P CA 1.531 64.497 63.100 -0.223 0.000 0.837 408 P CB -0.678 30.988 31.700 -0.056 0.000 0.786 409 Y N -1.508 118.700 120.300 -0.152 0.000 2.651 409 Y HA 0.012 4.565 4.550 0.005 0.000 0.296 409 Y C 2.167 177.966 175.900 -0.169 0.000 1.150 409 Y CA 0.691 58.715 58.100 -0.127 0.000 1.348 409 Y CB -1.783 36.617 38.460 -0.100 0.000 0.983 409 Y HN -0.118 nan 8.280 nan 0.000 0.555 410 S N 0.770 116.164 115.700 -0.511 0.000 2.419 410 S HA -0.128 4.345 4.470 0.005 0.000 0.235 410 S C 1.352 175.824 174.600 -0.213 0.000 1.019 410 S CA 1.413 59.331 58.200 -0.470 0.000 0.982 410 S CB -0.683 61.913 63.200 -1.007 0.000 0.789 410 S HN 0.624 nan 8.310 nan 0.000 0.490 411 V N -2.739 117.084 119.914 -0.151 0.000 2.991 411 V HA 0.695 4.819 4.120 0.005 0.000 0.355 411 V C 0.894 176.998 176.094 0.015 0.000 1.384 411 V CA 0.022 62.314 62.300 -0.013 0.000 1.171 411 V CB -0.503 31.360 31.823 0.068 0.000 1.190 411 V HN 0.454 nan 8.190 nan 0.000 0.540 412 G N 1.041 109.855 108.800 0.022 0.000 2.179 412 G HA2 -0.260 3.703 3.960 0.005 0.000 0.257 412 G HA3 -0.260 3.703 3.960 0.005 0.000 0.257 412 G C -0.018 174.907 174.900 0.041 0.000 1.010 412 G CA 0.877 46.002 45.100 0.042 0.000 0.736 412 G HN 1.085 nan 8.290 nan 0.000 0.513 413 E N -0.909 119.312 120.200 0.036 0.000 2.393 413 E HA 0.746 5.099 4.350 0.005 0.000 0.265 413 E C 0.129 176.752 176.600 0.039 0.000 0.941 413 E CA -0.499 55.923 56.400 0.037 0.000 0.801 413 E CB 1.137 30.860 29.700 0.038 0.000 1.313 413 E HN 0.430 nan 8.360 nan 0.000 0.435 414 T N -2.001 112.574 114.554 0.036 0.000 2.918 414 T HA 0.760 5.113 4.350 0.005 0.000 0.283 414 T C 0.422 175.140 174.700 0.029 0.000 1.001 414 T CA 0.006 62.127 62.100 0.035 0.000 1.041 414 T CB 1.333 70.219 68.868 0.030 0.000 1.028 414 T HN 0.902 nan 8.240 nan 0.000 0.511 415 G N 0.402 109.218 108.800 0.026 0.000 2.316 415 G HA2 0.383 4.346 3.960 0.005 0.000 0.296 415 G HA3 0.383 4.346 3.960 0.005 0.000 0.296 415 G C -1.246 173.664 174.900 0.017 0.000 1.399 415 G CA -1.256 43.858 45.100 0.023 0.000 0.833 415 G HN 0.862 nan 8.290 nan 0.000 0.565 416 R N -0.143 120.366 120.500 0.016 0.000 2.538 416 R HA 0.342 4.686 4.340 0.005 0.000 0.282 416 R C -0.916 175.387 176.300 0.005 0.000 1.009 416 R CA 0.069 56.175 56.100 0.010 0.000 1.063 416 R CB 0.414 30.719 30.300 0.009 0.000 0.945 416 R HN 0.271 nan 8.270 nan 0.000 0.414 417 V N 5.672 125.587 119.914 0.002 0.000 2.305 417 V HA 0.531 4.655 4.120 0.005 0.000 0.275 417 V C 0.607 176.697 176.094 -0.006 0.000 1.020 417 V CA 0.256 62.553 62.300 -0.005 0.000 0.811 417 V CB 0.879 32.705 31.823 0.004 0.000 1.031 417 V HN 1.086 nan 8.190 nan 0.000 0.439 418 G N 2.868 111.662 108.800 -0.009 0.000 2.795 418 G HA2 0.317 4.280 3.960 0.005 0.000 0.127 418 G HA3 0.317 4.280 3.960 0.005 0.000 0.127 418 G C -0.294 174.598 174.900 -0.013 0.000 1.203 418 G CA -0.279 44.815 45.100 -0.011 0.000 1.145 418 G HN 0.414 nan 8.290 nan 0.000 0.580 419 S N 2.753 118.444 115.700 -0.014 0.000 2.558 419 S HA 0.325 4.799 4.470 0.005 0.000 0.287 419 S C -2.018 172.575 174.600 -0.011 0.000 1.321 419 S CA -0.165 58.026 58.200 -0.015 0.000 1.048 419 S CB 0.672 63.862 63.200 -0.017 0.000 0.844 419 S HN 0.514 nan 8.310 nan 0.000 0.512 420 P HA 0.196 nan 4.420 nan 0.000 0.276 420 P C -0.394 176.903 177.300 -0.006 0.000 1.230 420 P CA -0.282 62.817 63.100 -0.002 0.000 0.776 420 P CB 0.598 32.297 31.700 -0.001 0.000 0.888 421 K N 2.063 122.461 120.400 -0.002 0.000 2.132 421 K HA 0.158 4.481 4.320 0.005 0.000 0.240 421 K C 1.836 178.408 176.600 -0.047 0.000 1.036 421 K CA -0.441 55.832 56.287 -0.025 0.000 0.888 421 K CB 0.628 33.111 32.500 -0.029 0.000 1.071 421 K HN 0.323 nan 8.250 nan 0.000 0.502 422 R N 0.747 121.206 120.500 -0.069 0.000 2.120 422 R HA -0.100 4.243 4.340 0.005 0.000 0.234 422 R C 2.062 178.273 176.300 -0.149 0.000 1.123 422 R CA 1.139 57.185 56.100 -0.089 0.000 0.975 422 R CB -0.009 30.241 30.300 -0.084 0.000 0.866 422 R HN 0.378 nan 8.270 nan 0.000 0.446 423 R N 1.030 121.411 120.500 -0.199 0.000 2.066 423 R HA -0.112 4.231 4.340 0.005 0.000 0.232 423 R C 1.974 178.043 176.300 -0.385 0.000 1.131 423 R CA 1.357 57.224 56.100 -0.390 0.000 0.955 423 R CB -0.447 29.621 30.300 -0.386 0.000 0.851 423 R HN 0.449 nan 8.270 nan 0.000 0.432 424 E N 0.601 120.745 120.200 -0.094 0.000 2.085 424 E HA -0.142 4.211 4.350 0.005 0.000 0.194 424 E C 2.033 178.657 176.600 0.041 0.000 0.994 424 E CA 0.922 57.420 56.400 0.164 0.000 0.801 424 E CB -0.106 29.717 29.700 0.206 0.000 0.743 424 E HN 0.177 nan 8.360 nan 0.000 0.453 425 I N 0.987 121.536 120.570 -0.035 0.000 2.179 425 I HA -0.162 4.012 4.170 0.005 0.000 0.242 425 I C 2.547 178.621 176.117 -0.071 0.000 1.088 425 I CA 1.540 62.817 61.300 -0.038 0.000 1.357 425 I CB -1.742 36.234 38.000 -0.041 0.000 1.051 425 I HN 0.139 nan 8.210 nan 0.000 0.409 426 G N 0.467 109.178 108.800 -0.149 0.000 2.453 426 G HA2 -0.246 3.717 3.960 0.005 0.000 0.215 426 G HA3 -0.246 3.717 3.960 0.005 0.000 0.215 426 G C 1.525 176.361 174.900 -0.106 0.000 1.201 426 G CA 0.701 45.710 45.100 -0.151 0.000 0.784 426 G HN 0.366 nan 8.290 nan 0.000 0.545 427 H N 0.800 119.718 119.070 -0.252 0.000 2.387 427 H HA -0.045 4.514 4.556 0.005 0.000 0.299 427 H C 2.846 177.983 175.328 -0.318 0.000 1.090 427 H CA 0.997 56.794 56.048 -0.418 0.000 1.332 427 H CB -1.002 28.219 29.762 -0.901 0.000 1.386 427 H HN 0.349 nan 8.280 nan 0.000 0.516 428 G N 0.477 109.213 108.800 -0.107 0.000 2.446 428 G HA2 -0.242 3.721 3.960 0.005 0.000 0.217 428 G HA3 -0.242 3.721 3.960 0.005 0.000 0.217 428 G C 2.013 177.043 174.900 0.216 0.000 1.168 428 G CA 1.503 46.666 45.100 0.104 0.000 0.771 428 G HN 0.556 nan 8.290 nan 0.000 0.551 429 A N 0.335 123.207 122.820 0.086 0.000 1.902 429 A HA 0.068 4.391 4.320 0.005 0.000 0.217 429 A C 2.374 179.999 177.584 0.067 0.000 1.181 429 A CA 1.709 53.792 52.037 0.076 0.000 0.623 429 A CB -0.483 18.532 19.000 0.024 0.000 0.818 429 A HN 0.448 nan 8.150 nan 0.000 0.443 430 L N -0.245 121.001 121.223 0.039 0.000 2.046 430 L HA -0.062 4.281 4.340 0.005 0.000 0.208 430 L C 2.615 179.489 176.870 0.007 0.000 1.077 430 L CA 2.258 57.108 54.840 0.016 0.000 0.747 430 L CB -0.635 41.427 42.059 0.006 0.000 0.896 430 L HN 0.326 nan 8.230 nan 0.000 0.432 431 A N -1.289 121.539 122.820 0.013 0.000 2.014 431 A HA -0.188 4.135 4.320 0.005 0.000 0.218 431 A C 2.287 179.811 177.584 -0.100 0.000 1.163 431 A CA 1.428 53.427 52.037 -0.063 0.000 0.652 431 A CB -0.572 18.387 19.000 -0.068 0.000 0.808 431 A HN 0.625 nan 8.150 nan 0.000 0.449 432 E N -0.414 119.808 120.200 0.036 0.000 2.046 432 E HA -0.161 4.192 4.350 0.005 0.000 0.190 432 E C 2.081 178.758 176.600 0.127 0.000 0.982 432 E CA 0.531 57.020 56.400 0.148 0.000 0.800 432 E CB -0.075 29.761 29.700 0.226 0.000 0.756 432 E HN 0.312 nan 8.360 nan 0.000 0.449 433 R N 0.108 120.649 120.500 0.069 0.000 2.152 433 R HA -0.055 4.288 4.340 0.005 0.000 0.232 433 R C 2.075 178.379 176.300 0.006 0.000 1.117 433 R CA 1.003 57.122 56.100 0.032 0.000 0.981 433 R CB -0.568 29.736 30.300 0.006 0.000 0.870 433 R HN 0.234 nan 8.270 nan 0.000 0.451 434 A N 0.669 123.484 122.820 -0.009 0.000 2.015 434 A HA -0.057 4.267 4.320 0.005 0.000 0.219 434 A C 1.962 179.514 177.584 -0.054 0.000 1.163 434 A CA 0.886 52.908 52.037 -0.024 0.000 0.646 434 A CB -0.110 18.863 19.000 -0.045 0.000 0.806 434 A HN 0.063 nan 8.150 nan 0.000 0.448 435 I N -0.929 119.593 120.570 -0.080 0.000 2.731 435 I HA -0.051 4.122 4.170 0.005 0.000 0.260 435 I C 2.374 178.365 176.117 -0.210 0.000 1.138 435 I CA 0.629 61.830 61.300 -0.165 0.000 1.461 435 I CB -1.080 36.782 38.000 -0.230 0.000 1.128 435 I HN 0.085 nan 8.210 nan 0.000 0.438 436 V N 2.764 122.585 119.914 -0.156 0.000 2.313 436 V HA -0.228 3.895 4.120 0.005 0.000 0.253 436 V C -0.234 175.817 176.094 -0.071 0.000 1.070 436 V CA 2.393 64.619 62.300 -0.123 0.000 1.057 436 V CB -1.916 29.905 31.823 -0.002 0.000 0.653 436 V HN 0.268 nan 8.190 nan 0.000 0.450 437 P HA -0.091 nan 4.420 nan 0.000 0.222 437 P C 1.380 178.705 177.300 0.042 0.000 1.147 437 P CA 1.563 64.695 63.100 0.054 0.000 0.790 437 P CB -0.092 31.705 31.700 0.162 0.000 0.780 438 V N -5.467 114.428 119.914 -0.032 0.000 3.578 438 V HA 0.212 4.335 4.120 0.005 0.000 0.290 438 V C 0.577 176.613 176.094 -0.096 0.000 1.376 438 V CA -0.129 62.140 62.300 -0.052 0.000 1.083 438 V CB -1.104 30.665 31.823 -0.090 0.000 0.911 438 V HN -0.131 nan 8.190 nan 0.000 0.433 439 L N 2.965 124.113 121.223 -0.124 0.000 2.439 439 L HA 0.370 4.713 4.340 0.005 0.000 0.269 439 L C -1.627 175.203 176.870 -0.068 0.000 1.179 439 L CA -1.491 53.265 54.840 -0.139 0.000 0.828 439 L CB 0.557 42.512 42.059 -0.173 0.000 1.106 439 L HN 0.159 nan 8.230 nan 0.000 0.467 440 P HA 0.094 nan 4.420 nan 0.000 0.274 440 P C -0.491 176.848 177.300 0.065 0.000 1.246 440 P CA -0.468 62.626 63.100 -0.009 0.000 0.795 440 P CB 0.619 32.291 31.700 -0.048 0.000 1.006 441 T N -1.840 112.759 114.554 0.075 0.000 2.766 441 T HA 0.126 4.480 4.350 0.005 0.000 0.295 441 T C 1.417 176.194 174.700 0.128 0.000 1.024 441 T CA -0.435 61.715 62.100 0.084 0.000 1.018 441 T CB 0.649 69.554 68.868 0.061 0.000 1.002 441 T HN 0.424 nan 8.240 nan 0.000 0.532 442 R N 0.181 120.741 120.500 0.100 0.000 2.096 442 R HA -0.128 4.215 4.340 0.005 0.000 0.235 442 R C 1.905 178.252 176.300 0.078 0.000 1.127 442 R CA 1.789 57.945 56.100 0.094 0.000 0.968 442 R CB -0.240 30.096 30.300 0.059 0.000 0.861 442 R HN 0.779 nan 8.270 nan 0.000 0.440 443 E N 0.141 120.381 120.200 0.067 0.000 2.112 443 E HA -0.103 4.251 4.350 0.005 0.000 0.190 443 E C 1.698 178.347 176.600 0.082 0.000 0.979 443 E CA 1.155 57.586 56.400 0.052 0.000 0.814 443 E CB 0.058 29.781 29.700 0.038 0.000 0.762 443 E HN 0.458 nan 8.360 nan 0.000 0.460 444 E N -0.631 119.639 120.200 0.116 0.000 2.107 444 E HA -0.053 4.301 4.350 0.005 0.000 0.191 444 E C -0.185 176.582 176.600 0.279 0.000 0.982 444 E CA 0.576 57.066 56.400 0.150 0.000 0.809 444 E CB 0.153 29.927 29.700 0.123 0.000 0.756 444 E HN 0.088 nan 8.360 nan 0.000 0.459 445 F N 1.473 121.480 119.950 0.095 0.000 2.824 445 F HA 0.248 4.778 4.527 0.005 0.000 0.375 445 F C -2.454 173.473 175.800 0.212 0.000 1.190 445 F CA -2.978 55.137 58.000 0.191 0.000 1.180 445 F CB 1.568 40.662 39.000 0.158 0.000 1.477 445 F HN -0.218 nan 8.300 nan 0.000 0.542 446 P HA 0.044 nan 4.420 nan 0.000 0.231 446 P C -1.458 175.519 177.300 -0.539 0.000 1.756 446 P CA 0.600 63.545 63.100 -0.258 0.000 0.990 446 P CB -0.629 30.902 31.700 -0.282 0.000 1.973 447 Y N 0.099 120.218 120.300 -0.302 0.000 2.524 447 Y HA 0.545 5.098 4.550 0.005 0.000 0.347 447 Y C 0.351 176.218 175.900 -0.055 0.000 1.005 447 Y CA -1.361 56.584 58.100 -0.258 0.000 1.025 447 Y CB 1.743 39.895 38.460 -0.513 0.000 1.275 447 Y HN 0.095 nan 8.280 nan 0.000 0.460 448 A N 3.614 126.522 122.820 0.148 0.000 2.328 448 A HA 0.714 5.037 4.320 0.005 0.000 0.284 448 A C -0.710 176.989 177.584 0.191 0.000 1.160 448 A CA -0.325 51.795 52.037 0.139 0.000 0.818 448 A CB -0.174 18.879 19.000 0.087 0.000 1.087 448 A HN 0.687 nan 8.150 nan 0.000 0.504 449 I N 2.503 123.202 120.570 0.215 0.000 2.389 449 I HA 0.414 4.587 4.170 0.005 0.000 0.288 449 I C 0.320 176.505 176.117 0.114 0.000 0.999 449 I CA -0.342 61.104 61.300 0.243 0.000 1.129 449 I CB 1.611 39.862 38.000 0.418 0.000 1.288 449 I HN 0.695 nan 8.210 nan 0.000 0.444 450 R N 4.979 125.527 120.500 0.079 0.000 2.360 450 R HA 0.404 4.747 4.340 0.005 0.000 0.318 450 R C -1.030 175.279 176.300 0.015 0.000 0.950 450 R CA -0.671 55.422 56.100 -0.012 0.000 0.837 450 R CB 1.512 31.810 30.300 -0.002 0.000 1.165 450 R HN 0.515 nan 8.270 nan 0.000 0.458 451 Q N 3.296 123.078 119.800 -0.031 0.000 2.307 451 Q HA 0.363 4.707 4.340 0.005 0.000 0.262 451 Q C -1.563 174.522 176.000 0.141 0.000 0.961 451 Q CA -0.533 55.334 55.803 0.107 0.000 0.882 451 Q CB 2.005 30.858 28.738 0.193 0.000 1.264 451 Q HN 0.399 nan 8.270 nan 0.000 0.446 452 V N 3.050 123.028 119.914 0.108 0.000 2.495 452 V HA 0.604 4.727 4.120 0.005 0.000 0.298 452 V C -0.654 175.498 176.094 0.097 0.000 1.031 452 V CA -0.717 61.607 62.300 0.041 0.000 0.871 452 V CB 2.094 33.913 31.823 -0.008 0.000 0.988 452 V HN 0.811 nan 8.190 nan 0.000 0.432 453 S N 3.858 119.612 115.700 0.089 0.000 2.456 453 S HA 0.481 4.954 4.470 0.005 0.000 0.316 453 S C -0.599 173.992 174.600 -0.015 0.000 1.089 453 S CA -0.749 57.538 58.200 0.145 0.000 1.101 453 S CB 1.032 64.459 63.200 0.379 0.000 0.995 453 S HN 0.710 nan 8.310 nan 0.000 0.468 454 E N 2.099 122.289 120.200 -0.016 0.000 2.092 454 E HA 0.344 4.697 4.350 0.005 0.000 0.271 454 E C -0.651 175.898 176.600 -0.084 0.000 0.919 454 E CA -0.578 55.768 56.400 -0.090 0.000 0.760 454 E CB 1.584 31.261 29.700 -0.038 0.000 1.106 454 E HN 0.619 nan 8.360 nan 0.000 0.408 455 A N 5.094 127.800 122.820 -0.190 0.000 2.805 455 A HA 0.178 4.502 4.320 0.005 0.000 0.301 455 A C 1.108 178.581 177.584 -0.186 0.000 1.557 455 A CA -0.201 51.772 52.037 -0.107 0.000 1.254 455 A CB -0.530 18.449 19.000 -0.036 0.000 1.114 455 A HN 0.682 nan 8.150 nan 0.000 0.553 456 L N 1.824 123.008 121.223 -0.065 0.000 2.313 456 L HA 0.114 4.458 4.340 0.005 0.000 0.214 456 L C 1.354 178.219 176.870 -0.008 0.000 1.119 456 L CA 0.810 55.647 54.840 -0.004 0.000 0.809 456 L CB -0.135 41.968 42.059 0.073 0.000 0.933 456 L HN 0.689 nan 8.230 nan 0.000 0.449 457 G N -1.056 107.733 108.800 -0.019 0.000 2.701 457 G HA2 0.480 4.443 3.960 0.005 0.000 0.300 457 G HA3 0.480 4.443 3.960 0.005 0.000 0.300 457 G C -1.594 173.320 174.900 0.023 0.000 1.410 457 G CA -0.184 44.914 45.100 -0.003 0.000 1.014 457 G HN -0.150 nan 8.290 nan 0.000 0.509 458 S N 0.327 116.051 115.700 0.040 0.000 2.547 458 S HA 0.712 5.185 4.470 0.005 0.000 0.281 458 S C -0.751 173.922 174.600 0.122 0.000 1.118 458 S CA -0.716 57.569 58.200 0.140 0.000 0.947 458 S CB 1.653 65.050 63.200 0.329 0.000 1.053 458 S HN 1.045 nan 8.310 nan 0.000 0.482 459 N N 2.049 120.815 118.700 0.109 0.000 3.660 459 N HA 0.265 5.009 4.740 0.005 0.000 0.128 459 N C -0.812 174.725 175.510 0.044 0.000 1.022 459 N CA 0.707 53.798 53.050 0.068 0.000 2.474 459 N CB 0.056 38.572 38.487 0.048 0.000 1.518 459 N HN 1.201 nan 8.380 nan 0.000 0.750 460 G N 0.868 109.691 108.800 0.040 0.000 2.648 460 G HA2 0.312 4.276 3.960 0.005 0.000 0.317 460 G HA3 0.312 4.276 3.960 0.005 0.000 0.317 460 G C -0.295 174.613 174.900 0.012 0.000 1.216 460 G CA -0.195 44.912 45.100 0.012 0.000 1.210 460 G HN 1.172 nan 8.290 nan 0.000 0.583 461 S N 0.531 116.209 115.700 -0.036 0.000 3.509 461 S HA -0.167 4.306 4.470 0.005 0.000 0.314 461 S C 1.964 176.553 174.600 -0.019 0.000 0.844 461 S CA 2.025 60.175 58.200 -0.082 0.000 1.361 461 S CB -0.808 62.339 63.200 -0.089 0.000 1.359 461 S HN 2.375 nan 8.310 nan 0.000 0.501 462 T N 1.112 115.666 114.554 -0.000 0.000 2.985 462 T HA 0.127 4.480 4.350 0.005 0.000 0.266 462 T C 1.242 175.995 174.700 0.090 0.000 1.076 462 T CA 0.718 62.909 62.100 0.151 0.000 1.135 462 T CB -0.424 68.657 68.868 0.355 0.000 0.890 462 T HN 1.031 nan 8.240 nan 0.000 0.480 466 S N 0.391 116.106 115.700 0.025 0.000 2.402 466 S HA -0.026 4.447 4.470 0.005 0.000 0.229 466 S C 2.432 177.003 174.600 -0.049 0.000 1.021 466 S CA 1.888 60.142 58.200 0.089 0.000 0.974 466 S CB -0.145 63.199 63.200 0.241 0.000 0.800 466 S HN 0.211 nan 8.310 nan 0.000 0.484 467 V N 1.305 121.140 119.914 -0.132 0.000 2.261 467 V HA -0.212 3.912 4.120 0.005 0.000 0.246 467 V C 2.635 178.595 176.094 -0.224 0.000 1.047 467 V CA 1.946 64.142 62.300 -0.173 0.000 1.015 467 V CB -1.143 30.581 31.823 -0.164 0.000 0.642 467 V HN 0.670 nan 8.190 nan 0.000 0.446 468 C N 0.624 119.696 119.300 -0.379 0.000 2.413 468 C HA -0.120 4.344 4.460 0.005 0.000 0.276 468 C C 3.094 177.897 174.990 -0.312 0.000 1.248 468 C CA 0.720 59.438 59.018 -0.501 0.000 1.742 468 C CB -1.547 25.481 27.740 -1.186 0.000 2.017 468 C HN 0.625 nan 8.230 nan 0.000 0.481 469 A N 0.560 123.243 122.820 -0.228 0.000 1.969 469 A HA -0.115 4.208 4.320 0.005 0.000 0.218 469 A C 2.258 179.838 177.584 -0.007 0.000 1.169 469 A CA 2.100 54.124 52.037 -0.022 0.000 0.635 469 A CB -0.660 18.389 19.000 0.081 0.000 0.810 469 A HN 0.561 nan 8.150 nan 0.000 0.445 470 S N -0.412 115.268 115.700 -0.034 0.000 2.355 470 S HA -0.057 4.416 4.470 0.005 0.000 0.222 470 S C 1.329 175.912 174.600 -0.027 0.000 1.031 470 S CA 1.109 59.305 58.200 -0.008 0.000 0.993 470 S CB -0.480 62.688 63.200 -0.053 0.000 0.859 470 S HN 0.652 nan 8.310 nan 0.000 0.453 474 L N 2.398 123.637 121.223 0.027 0.000 2.017 474 L HA -0.012 4.331 4.340 0.005 0.000 0.208 474 L C 2.269 179.118 176.870 -0.035 0.000 1.073 474 L CA 1.660 56.508 54.840 0.012 0.000 0.745 474 L CB -0.505 41.548 42.059 -0.009 0.000 0.894 474 L HN 0.390 nan 8.230 nan 0.000 0.432 475 L N -0.391 120.802 121.223 -0.049 0.000 2.046 475 L HA -0.248 4.095 4.340 0.005 0.000 0.208 475 L C 2.424 179.271 176.870 -0.037 0.000 1.077 475 L CA 1.508 56.310 54.840 -0.062 0.000 0.747 475 L CB -0.735 41.290 42.059 -0.057 0.000 0.896 475 L HN 0.451 nan 8.230 nan 0.000 0.432 476 N N 0.382 119.075 118.700 -0.011 0.000 2.223 476 N HA -0.186 4.558 4.740 0.005 0.000 0.185 476 N C 1.703 177.219 175.510 0.011 0.000 1.016 476 N CA 1.116 54.168 53.050 0.004 0.000 0.863 476 N CB 0.150 38.648 38.487 0.020 0.000 0.983 476 N HN 0.337 nan 8.380 nan 0.000 0.429 477 A N -0.111 122.718 122.820 0.016 0.000 2.123 477 A HA 0.264 4.587 4.320 0.005 0.000 0.214 477 A C 1.481 179.061 177.584 -0.007 0.000 1.152 477 A CA 1.080 53.134 52.037 0.029 0.000 0.728 477 A CB -0.254 18.788 19.000 0.070 0.000 0.814 477 A HN 0.482 nan 8.150 nan 0.000 0.464 478 G N -1.803 106.972 108.800 -0.041 0.000 2.148 478 G HA2 -0.150 3.813 3.960 0.005 0.000 0.203 478 G HA3 -0.150 3.813 3.960 0.005 0.000 0.203 478 G C 0.046 174.829 174.900 -0.194 0.000 0.993 478 G CA -0.057 45.002 45.100 -0.069 0.000 0.661 478 G HN 0.722 nan 8.290 nan 0.000 0.518 479 V N 2.885 122.633 119.914 -0.276 0.000 2.439 479 V HA 0.350 4.473 4.120 0.005 0.000 0.271 479 V C -1.145 174.655 176.094 -0.490 0.000 1.040 479 V CA -0.804 61.112 62.300 -0.639 0.000 1.002 479 V CB 1.177 32.770 31.823 -0.383 0.000 1.000 479 V HN 0.270 nan 8.190 nan 0.000 0.477 480 P HA 0.191 nan 4.420 nan 0.000 0.252 480 P C -0.299 176.853 177.300 -0.248 0.000 1.727 480 P CA -0.089 62.824 63.100 -0.313 0.000 1.134 480 P CB 0.198 31.748 31.700 -0.249 0.000 1.876 481 L N 3.683 124.785 121.223 -0.203 0.000 2.426 481 L HA 0.127 4.471 4.340 0.005 0.000 0.271 481 L C 1.822 178.624 176.870 -0.113 0.000 1.169 481 L CA -0.443 54.301 54.840 -0.160 0.000 0.836 481 L CB 0.507 42.477 42.059 -0.149 0.000 1.112 481 L HN 0.125 nan 8.230 nan 0.000 0.465 482 K N 1.921 122.269 120.400 -0.087 0.000 2.283 482 K HA 0.148 4.471 4.320 0.005 0.000 0.202 482 K C 0.277 176.844 176.600 -0.054 0.000 1.048 482 K CA 0.540 56.796 56.287 -0.052 0.000 0.948 482 K CB -0.016 32.474 32.500 -0.018 0.000 0.742 482 K HN 0.697 nan 8.250 nan 0.000 0.458 483 A N 1.176 123.948 122.820 -0.080 0.000 2.590 483 A HA 0.409 4.732 4.320 0.005 0.000 0.294 483 A C -2.929 174.583 177.584 -0.119 0.000 1.046 483 A CA -1.201 50.779 52.037 -0.095 0.000 0.684 483 A CB 1.343 20.277 19.000 -0.109 0.000 1.279 483 A HN -0.161 nan 8.150 nan 0.000 0.415 484 P HA 0.526 nan 4.420 nan 0.000 0.278 484 P C -0.716 176.498 177.300 -0.143 0.000 1.238 484 P CA -0.136 62.893 63.100 -0.119 0.000 0.794 484 P CB 1.357 32.999 31.700 -0.096 0.000 0.955 485 V N 1.395 121.223 119.914 -0.144 0.000 2.604 485 V HA 0.759 4.882 4.120 0.005 0.000 0.305 485 V C 0.166 176.168 176.094 -0.154 0.000 1.043 485 V CA -0.713 61.494 62.300 -0.154 0.000 0.888 485 V CB 1.512 33.245 31.823 -0.150 0.000 0.995 485 V HN 0.870 nan 8.190 nan 0.000 0.429 486 A N 2.594 125.328 122.820 -0.144 0.000 2.515 486 A HA 1.036 5.359 4.320 0.005 0.000 0.296 486 A C -0.175 177.333 177.584 -0.126 0.000 1.094 486 A CA -0.185 51.758 52.037 -0.158 0.000 0.718 486 A CB 2.168 21.091 19.000 -0.129 0.000 1.307 486 A HN 1.304 nan 8.150 nan 0.000 0.408 487 G N -0.738 107.978 108.800 -0.141 0.000 2.619 487 G HA2 0.673 4.637 3.960 0.005 0.000 0.296 487 G HA3 0.673 4.637 3.960 0.005 0.000 0.296 487 G C -1.829 173.032 174.900 -0.064 0.000 1.334 487 G CA -0.420 44.624 45.100 -0.093 0.000 0.934 487 G HN 1.064 nan 8.290 nan 0.000 0.476 488 I N -0.055 120.486 120.570 -0.048 0.000 2.752 488 I HA 0.782 4.956 4.170 0.005 0.000 0.295 488 I C -0.047 176.011 176.117 -0.098 0.000 1.219 488 I CA -0.600 60.673 61.300 -0.044 0.000 1.030 488 I CB 2.031 40.016 38.000 -0.026 0.000 1.259 488 I HN 0.929 nan 8.210 nan 0.000 0.423 492 L N 0.040 121.368 121.223 0.175 0.000 2.482 492 L HA 0.801 5.144 4.340 0.005 0.000 0.263 492 L C -1.206 175.769 176.870 0.175 0.000 0.957 492 L CA -0.669 54.292 54.840 0.202 0.000 0.836 492 L CB 1.952 44.157 42.059 0.242 0.000 1.324 492 L HN 0.553 nan 8.230 nan 0.000 0.406 493 I N 3.046 123.720 120.570 0.173 0.000 2.406 493 I HA 0.448 4.621 4.170 0.005 0.000 0.290 493 I C -0.465 175.749 176.117 0.161 0.000 0.999 493 I CA -0.468 60.919 61.300 0.144 0.000 1.124 493 I CB 2.019 40.081 38.000 0.102 0.000 1.289 493 I HN 0.580 nan 8.210 nan 0.000 0.441 494 S N 6.373 122.149 115.700 0.126 0.000 2.640 494 S HA 0.427 4.901 4.470 0.005 0.000 0.320 494 S C -0.816 173.761 174.600 -0.039 0.000 1.097 494 S CA -0.567 57.654 58.200 0.036 0.000 1.092 494 S CB 0.588 63.887 63.200 0.165 0.000 0.988 494 S HN 0.492 nan 8.310 nan 0.000 0.470 495 Q N 2.741 122.486 119.800 -0.092 0.000 2.356 495 Q HA 0.312 4.655 4.340 0.005 0.000 0.270 495 Q C -1.099 174.853 176.000 -0.081 0.000 1.058 495 Q CA -0.463 55.310 55.803 -0.051 0.000 0.802 495 Q CB 2.104 30.839 28.738 -0.005 0.000 1.303 495 Q HN 0.835 nan 8.270 nan 0.000 0.444 496 E N 3.712 123.872 120.200 -0.067 0.000 2.014 496 E HA 0.274 4.627 4.350 0.005 0.000 0.275 496 E C -0.656 175.931 176.600 -0.021 0.000 0.997 496 E CA -0.183 56.168 56.400 -0.081 0.000 0.804 496 E CB 0.308 29.964 29.700 -0.073 0.000 1.090 496 E HN 0.480 nan 8.360 nan 0.000 0.401 497 I N 5.039 125.627 120.570 0.031 0.000 2.282 497 I HA 0.110 4.284 4.170 0.005 0.000 0.290 497 I C -0.176 175.964 176.117 0.038 0.000 1.090 497 I CA -0.463 60.886 61.300 0.082 0.000 1.231 497 I CB 0.073 38.206 38.000 0.222 0.000 1.434 497 I HN 0.682 nan 8.210 nan 0.000 0.487 498 N N 5.487 124.193 118.700 0.009 0.000 2.568 498 N HA -0.180 4.564 4.740 0.005 0.000 0.277 498 N C 0.817 176.314 175.510 -0.021 0.000 1.200 498 N CA 1.101 54.150 53.050 -0.001 0.000 0.702 498 N CB -0.436 38.059 38.487 0.012 0.000 0.889 498 N HN 1.010 nan 8.380 nan 0.000 0.546 499 G N 0.719 109.500 108.800 -0.032 0.000 2.855 499 G HA2 -0.405 3.558 3.960 0.005 0.000 0.231 499 G HA3 -0.405 3.558 3.960 0.005 0.000 0.231 499 G C 0.091 174.945 174.900 -0.076 0.000 1.242 499 G CA 0.815 45.889 45.100 -0.044 0.000 0.789 499 G HN 0.807 nan 8.290 nan 0.000 0.517 500 E N 1.287 121.421 120.200 -0.110 0.000 2.313 500 E HA 0.543 4.896 4.350 0.005 0.000 0.272 500 E C -0.545 175.872 176.600 -0.305 0.000 1.038 500 E CA -0.095 56.186 56.400 -0.199 0.000 0.863 500 E CB 0.700 30.255 29.700 -0.242 0.000 1.060 500 E HN 0.175 nan 8.360 nan 0.000 0.402 501 T N 3.787 118.135 114.554 -0.343 0.000 2.767 501 T HA 0.262 4.616 4.350 0.005 0.000 0.288 501 T C -0.678 173.645 174.700 -0.630 0.000 0.963 501 T CA -0.566 61.276 62.100 -0.430 0.000 1.019 501 T CB 0.419 69.060 68.868 -0.378 0.000 0.923 501 T HN 0.321 nan 8.240 nan 0.000 0.468 502 H N 2.157 120.993 119.070 -0.391 0.000 2.472 502 H HA 0.393 4.952 4.556 0.005 0.000 0.338 502 H C -1.009 174.046 175.328 -0.454 0.000 1.133 502 H CA -0.353 55.510 56.048 -0.308 0.000 1.216 502 H CB 1.185 30.863 29.762 -0.139 0.000 1.497 502 H HN 0.549 nan 8.280 nan 0.000 0.500 503 Y N 0.464 120.849 120.300 0.143 0.000 2.409 503 Y HA 0.403 4.956 4.550 0.005 0.000 0.343 503 Y C -0.240 175.711 175.900 0.084 0.000 0.973 503 Y CA -0.759 57.395 58.100 0.090 0.000 1.064 503 Y CB 1.954 40.448 38.460 0.057 0.000 1.207 503 Y HN 0.210 nan 8.280 nan 0.000 0.452 504 V N 2.464 122.519 119.914 0.235 0.000 2.612 504 V HA 0.726 4.849 4.120 0.005 0.000 0.301 504 V C -0.505 175.680 176.094 0.152 0.000 1.059 504 V CA -1.146 61.246 62.300 0.153 0.000 0.886 504 V CB 1.553 33.432 31.823 0.094 0.000 1.007 504 V HN 0.891 nan 8.190 nan 0.000 0.426 505 A N 6.109 129.012 122.820 0.139 0.000 2.301 505 A HA 0.869 5.192 4.320 0.005 0.000 0.298 505 A C -0.628 177.013 177.584 0.095 0.000 1.185 505 A CA -0.365 51.761 52.037 0.147 0.000 0.830 505 A CB 0.455 19.556 19.000 0.169 0.000 1.112 505 A HN 0.821 nan 8.150 nan 0.000 0.508 506 L N 2.525 123.790 121.223 0.070 0.000 2.313 506 L HA 0.384 4.727 4.340 0.005 0.000 0.283 506 L C 0.082 176.941 176.870 -0.018 0.000 1.013 506 L CA -0.479 54.379 54.840 0.030 0.000 0.816 506 L CB 1.865 43.945 42.059 0.036 0.000 1.236 506 L HN 0.659 nan 8.230 nan 0.000 0.419 507 T N 0.975 115.523 114.554 -0.010 0.000 2.856 507 T HA 0.086 4.439 4.350 0.005 0.000 0.292 507 T C 0.067 174.751 174.700 -0.027 0.000 0.980 507 T CA -0.010 62.072 62.100 -0.029 0.000 1.091 507 T CB 0.691 69.558 68.868 -0.000 0.000 0.936 507 T HN 0.742 nan 8.240 nan 0.000 0.503 508 D N 2.044 122.416 120.400 -0.047 0.000 2.803 508 D HA -0.177 4.466 4.640 0.005 0.000 0.233 508 D C 0.189 176.475 176.300 -0.022 0.000 1.182 508 D CA 0.285 54.269 54.000 -0.026 0.000 0.726 508 D CB -1.332 39.476 40.800 0.013 0.000 0.987 508 D HN 0.651 nan 8.370 nan 0.000 0.412 509 I N -2.098 118.445 120.570 -0.044 0.000 2.836 509 I HA 0.248 4.422 4.170 0.005 0.000 0.285 509 I C 0.903 177.009 176.117 -0.018 0.000 1.174 509 I CA -0.813 60.472 61.300 -0.025 0.000 1.405 509 I CB 0.467 38.446 38.000 -0.036 0.000 1.385 509 I HN 0.068 nan 8.210 nan 0.000 0.594 510 L N 3.858 125.078 121.223 -0.005 0.000 2.468 510 L HA 0.308 4.651 4.340 0.005 0.000 0.254 510 L C 1.865 178.713 176.870 -0.037 0.000 1.171 510 L CA 0.040 54.876 54.840 -0.007 0.000 0.809 510 L CB 0.679 42.744 42.059 0.009 0.000 1.155 510 L HN 0.921 nan 8.230 nan 0.000 0.473 511 G N -0.098 108.680 108.800 -0.038 0.000 2.440 511 G HA2 -0.251 3.713 3.960 0.005 0.000 0.218 511 G HA3 -0.251 3.713 3.960 0.005 0.000 0.218 511 G C 1.514 176.330 174.900 -0.141 0.000 1.154 511 G CA 0.921 45.982 45.100 -0.064 0.000 0.767 511 G HN 0.784 nan 8.290 nan 0.000 0.552 512 A N 0.768 123.480 122.820 -0.181 0.000 1.930 512 A HA 0.022 4.345 4.320 0.005 0.000 0.217 512 A C 2.090 179.310 177.584 -0.607 0.000 1.175 512 A CA 1.729 53.510 52.037 -0.427 0.000 0.627 512 A CB -0.348 18.456 19.000 -0.326 0.000 0.815 512 A HN 0.452 nan 8.150 nan 0.000 0.443 513 E N -0.373 119.698 120.200 -0.216 0.000 2.401 513 E HA -0.171 4.183 4.350 0.005 0.000 0.199 513 E C 1.308 177.873 176.600 -0.058 0.000 1.023 513 E CA 0.666 57.047 56.400 -0.032 0.000 0.859 513 E CB -0.035 29.700 29.700 0.059 0.000 0.780 513 E HN 0.633 nan 8.360 nan 0.000 0.523 514 D N 0.386 120.707 120.400 -0.132 0.000 2.120 514 D HA -0.067 4.576 4.640 0.005 0.000 0.202 514 D C 1.872 178.124 176.300 -0.080 0.000 0.972 514 D CA 1.123 55.076 54.000 -0.079 0.000 0.837 514 D CB 0.161 40.912 40.800 -0.082 0.000 0.989 514 D HN 0.135 nan 8.370 nan 0.000 0.469 515 A N -0.341 122.359 122.820 -0.199 0.000 2.014 515 A HA -0.064 4.260 4.320 0.005 0.000 0.218 515 A C 1.814 179.400 177.584 0.002 0.000 1.163 515 A CA 0.610 52.559 52.037 -0.146 0.000 0.652 515 A CB -0.686 18.169 19.000 -0.241 0.000 0.808 515 A HN 0.193 nan 8.150 nan 0.000 0.449 516 F N 0.398 120.360 119.950 0.020 0.000 2.367 516 F HA 0.190 4.720 4.527 0.005 0.000 0.298 516 F C 1.882 177.699 175.800 0.029 0.000 1.094 516 F CA -0.275 57.736 58.000 0.018 0.000 1.409 516 F CB -1.196 37.810 39.000 0.010 0.000 1.064 516 F HN 0.183 nan 8.300 nan 0.000 0.528 517 G N -0.442 108.479 108.800 0.202 0.000 2.588 517 G HA2 0.290 4.253 3.960 0.005 0.000 0.278 517 G HA3 0.290 4.253 3.960 0.005 0.000 0.278 517 G C -0.442 174.531 174.900 0.122 0.000 1.307 517 G CA -0.440 44.749 45.100 0.147 0.000 1.016 517 G HN 0.012 nan 8.290 nan 0.000 0.503 521 F N 0.764 120.717 119.950 0.005 0.000 2.588 521 F HA 0.719 5.250 4.527 0.005 0.000 0.310 521 F C -1.097 174.704 175.800 0.001 0.000 1.082 521 F CA -0.857 57.145 58.000 0.003 0.000 0.929 521 F CB 1.460 40.462 39.000 0.004 0.000 1.254 521 F HN -0.000 nan 8.300 nan 0.000 0.455 522 K N 2.665 123.127 120.400 0.103 0.000 2.324 522 K HA 0.805 5.129 4.320 0.005 0.000 0.253 522 K C -1.684 174.971 176.600 0.092 0.000 0.932 522 K CA -1.137 55.149 56.287 -0.001 0.000 0.799 522 K CB 3.025 35.509 32.500 -0.027 0.000 1.154 522 K HN 0.575 nan 8.250 nan 0.000 0.425 523 V N 1.132 121.080 119.914 0.056 0.000 2.760 523 V HA 0.747 4.870 4.120 0.005 0.000 0.309 523 V C -0.942 175.173 176.094 0.036 0.000 1.077 523 V CA -0.886 61.471 62.300 0.094 0.000 0.910 523 V CB 1.708 33.619 31.823 0.147 0.000 1.008 523 V HN 0.956 nan 8.190 nan 0.000 0.424 524 A N 2.467 125.311 122.820 0.040 0.000 2.454 524 A HA 1.091 5.414 4.320 0.005 0.000 0.302 524 A C -0.077 177.507 177.584 -0.001 0.000 1.079 524 A CA -0.100 51.933 52.037 -0.007 0.000 0.731 524 A CB 2.196 21.179 19.000 -0.029 0.000 1.299 524 A HN 1.924 nan 8.150 nan 0.000 0.413 525 G N -0.705 108.056 108.800 -0.065 0.000 2.313 525 G HA2 0.590 4.554 3.960 0.005 0.000 0.296 525 G HA3 0.590 4.554 3.960 0.005 0.000 0.296 525 G C -0.240 174.534 174.900 -0.211 0.000 1.356 525 G CA 0.393 45.414 45.100 -0.133 0.000 0.833 525 G HN 1.641 nan 8.290 nan 0.000 0.552 526 T N -1.590 112.737 114.554 -0.377 0.000 2.865 526 T HA 0.413 4.766 4.350 0.005 0.000 0.302 526 T C 1.376 175.936 174.700 -0.233 0.000 1.078 526 T CA 0.406 62.306 62.100 -0.334 0.000 0.942 526 T CB 0.875 69.452 68.868 -0.485 0.000 1.387 526 T HN 0.523 nan 8.240 nan 0.000 0.557 527 K N 0.009 120.306 120.400 -0.172 0.000 2.228 527 K HA 0.018 4.341 4.320 0.005 0.000 0.202 527 K C 2.213 178.770 176.600 -0.072 0.000 1.051 527 K CA 0.971 57.203 56.287 -0.093 0.000 0.960 527 K CB -0.048 32.417 32.500 -0.059 0.000 0.743 527 K HN 0.501 nan 8.250 nan 0.000 0.458 528 E N -0.311 119.825 120.200 -0.106 0.000 2.140 528 E HA 0.043 4.397 4.350 0.005 0.000 0.191 528 E C 0.100 176.781 176.600 0.134 0.000 0.973 528 E CA 0.758 57.172 56.400 0.024 0.000 0.829 528 E CB 0.240 30.020 29.700 0.134 0.000 0.781 528 E HN 0.232 nan 8.360 nan 0.000 0.466 529 F N -3.720 116.232 119.950 0.003 0.000 2.831 529 F HA 0.524 5.055 4.527 0.005 0.000 0.318 529 F C -1.038 174.780 175.800 0.030 0.000 1.174 529 F CA -1.726 56.276 58.000 0.005 0.000 0.918 529 F CB 0.743 39.746 39.000 0.004 0.000 1.364 529 F HN -0.413 nan 8.300 nan 0.000 0.475 530 V N 1.355 121.481 119.914 0.353 0.000 2.530 530 V HA 0.315 4.438 4.120 0.005 0.000 0.282 530 V C 0.789 177.201 176.094 0.531 0.000 1.048 530 V CA 0.489 62.968 62.300 0.300 0.000 0.997 530 V CB 0.879 32.839 31.823 0.229 0.000 0.987 530 V HN 1.076 nan 8.190 nan 0.000 0.477 531 T N 0.468 115.207 114.554 0.308 0.000 2.990 531 T HA 0.584 4.937 4.350 0.005 0.000 0.250 531 T C 0.378 175.187 174.700 0.182 0.000 1.041 531 T CA 0.490 62.761 62.100 0.285 0.000 1.010 531 T CB 0.545 69.479 68.868 0.110 0.000 1.003 531 T HN 1.057 nan 8.240 nan 0.000 0.499 532 A N 0.671 123.595 122.820 0.173 0.000 2.566 532 A HA 0.753 5.076 4.320 0.005 0.000 0.297 532 A C -2.072 175.600 177.584 0.148 0.000 1.059 532 A CA -0.850 51.248 52.037 0.101 0.000 0.691 532 A CB 1.646 20.668 19.000 0.035 0.000 1.282 532 A HN 0.482 nan 8.150 nan 0.000 0.401 533 L N 0.740 122.047 121.223 0.140 0.000 2.482 533 L HA 0.765 5.108 4.340 0.005 0.000 0.263 533 L C -0.848 176.086 176.870 0.107 0.000 0.957 533 L CA 0.070 55.007 54.840 0.161 0.000 0.836 533 L CB 2.182 44.386 42.059 0.240 0.000 1.324 533 L HN 0.853 nan 8.230 nan 0.000 0.406 534 Q N 4.160 124.027 119.800 0.112 0.000 2.285 534 Q HA 0.706 5.050 4.340 0.005 0.000 0.269 534 Q C -2.163 173.912 176.000 0.125 0.000 1.030 534 Q CA -0.597 55.257 55.803 0.085 0.000 0.788 534 Q CB 2.327 31.098 28.738 0.055 0.000 1.266 534 Q HN 0.841 nan 8.270 nan 0.000 0.438 535 L N 2.781 124.060 121.223 0.094 0.000 2.434 535 L HA 0.688 5.032 4.340 0.005 0.000 0.260 535 L C -1.920 174.991 176.870 0.068 0.000 0.983 535 L CA -0.387 54.517 54.840 0.108 0.000 0.820 535 L CB 2.277 44.372 42.059 0.059 0.000 1.361 535 L HN 0.667 nan 8.230 nan 0.000 0.410 536 D N 1.993 122.440 120.400 0.079 0.000 2.990 536 D HA 0.500 5.143 4.640 0.005 0.000 0.227 536 D C -1.387 174.949 176.300 0.059 0.000 1.249 536 D CA -0.096 53.938 54.000 0.056 0.000 0.891 536 D CB 2.666 43.499 40.800 0.054 0.000 1.647 536 D HN 0.547 nan 8.370 nan 0.000 0.530 537 T N 0.116 114.695 114.554 0.041 0.000 2.733 537 T HA 0.322 4.675 4.350 0.005 0.000 0.312 537 T C -0.777 173.940 174.700 0.028 0.000 1.590 537 T CA -0.427 61.698 62.100 0.041 0.000 1.005 537 T CB 1.521 70.409 68.868 0.033 0.000 1.528 537 T HN 0.313 nan 8.240 nan 0.000 0.496 538 K N 0.949 121.367 120.400 0.031 0.000 2.440 538 K HA 0.405 4.728 4.320 0.005 0.000 0.207 538 K C 0.308 176.918 176.600 0.016 0.000 1.112 538 K CA -0.223 56.076 56.287 0.019 0.000 1.036 538 K CB 0.440 32.955 32.500 0.025 0.000 0.935 538 K HN 0.405 nan 8.250 nan 0.000 0.564 539 L N 2.495 123.736 121.223 0.029 0.000 2.514 539 L HA -0.059 4.284 4.340 0.005 0.000 0.280 539 L C 0.767 177.645 176.870 0.013 0.000 1.223 539 L CA -0.026 54.836 54.840 0.037 0.000 0.864 539 L CB 0.300 42.397 42.059 0.063 0.000 1.118 539 L HN 0.091 nan 8.230 nan 0.000 0.494 540 D N 1.587 121.995 120.400 0.014 0.000 2.309 540 D HA 0.082 4.725 4.640 0.005 0.000 0.212 540 D C 0.832 177.125 176.300 -0.012 0.000 0.968 540 D CA 1.119 55.116 54.000 -0.004 0.000 0.882 540 D CB 0.215 41.014 40.800 -0.001 0.000 0.918 540 D HN 0.764 nan 8.370 nan 0.000 0.503 541 G N -0.374 108.423 108.800 -0.005 0.000 2.337 541 G HA2 0.284 4.247 3.960 0.005 0.000 0.310 541 G HA3 0.284 4.247 3.960 0.005 0.000 0.310 541 G C -1.315 173.555 174.900 -0.049 0.000 1.534 541 G CA -0.540 44.537 45.100 -0.038 0.000 0.982 541 G HN 0.197 nan 8.290 nan 0.000 0.672 542 I N -1.392 119.096 120.570 -0.137 0.000 2.730 542 I HA 0.815 4.988 4.170 0.005 0.000 0.298 542 I C -2.515 173.452 176.117 -0.249 0.000 1.089 542 I CA -2.771 58.355 61.300 -0.290 0.000 1.041 542 I CB 2.162 39.870 38.000 -0.487 0.000 1.235 542 I HN 0.337 nan 8.210 nan 0.000 0.423 543 P HA 0.105 nan 4.420 nan 0.000 0.265 543 P C 0.639 177.844 177.300 -0.159 0.000 1.187 543 P CA 0.094 63.102 63.100 -0.153 0.000 0.766 543 P CB 1.012 32.650 31.700 -0.104 0.000 0.820 544 A N 2.979 125.732 122.820 -0.110 0.000 1.892 544 A HA -0.247 4.076 4.320 0.005 0.000 0.218 544 A C 2.215 179.739 177.584 -0.100 0.000 1.188 544 A CA 2.463 54.438 52.037 -0.104 0.000 0.631 544 A CB -1.669 17.286 19.000 -0.076 0.000 0.822 544 A HN 0.641 nan 8.150 nan 0.000 0.447 545 S N -0.572 115.082 115.700 -0.077 0.000 2.399 545 S HA -0.114 4.359 4.470 0.005 0.000 0.231 545 S C 1.709 176.266 174.600 -0.072 0.000 1.022 545 S CA 1.447 59.612 58.200 -0.058 0.000 0.983 545 S CB -0.866 62.315 63.200 -0.031 0.000 0.803 545 S HN 0.279 nan 8.310 nan 0.000 0.480 546 V N 1.637 121.479 119.914 -0.121 0.000 2.323 546 V HA -0.049 4.074 4.120 0.005 0.000 0.244 546 V C 2.443 178.443 176.094 -0.157 0.000 1.041 546 V CA 1.585 63.793 62.300 -0.152 0.000 1.025 546 V CB -0.855 30.761 31.823 -0.344 0.000 0.656 546 V HN 0.470 nan 8.190 nan 0.000 0.451 547 L N 1.029 122.133 121.223 -0.199 0.000 2.017 547 L HA -0.112 4.232 4.340 0.005 0.000 0.208 547 L C 2.465 179.239 176.870 -0.160 0.000 1.073 547 L CA 2.441 57.150 54.840 -0.219 0.000 0.745 547 L CB -0.909 41.016 42.059 -0.224 0.000 0.894 547 L HN 0.222 nan 8.230 nan 0.000 0.432 548 A N -0.475 122.277 122.820 -0.113 0.000 1.908 548 A HA -0.147 4.176 4.320 0.005 0.000 0.218 548 A C 2.448 180.009 177.584 -0.039 0.000 1.181 548 A CA 1.995 53.989 52.037 -0.072 0.000 0.627 548 A CB -1.231 17.735 19.000 -0.056 0.000 0.818 548 A HN 0.605 nan 8.150 nan 0.000 0.445 549 A N -0.299 122.503 122.820 -0.031 0.000 1.898 549 A HA 0.201 4.524 4.320 0.005 0.000 0.216 549 A C 2.503 180.108 177.584 0.036 0.000 1.181 549 A CA 2.001 54.041 52.037 0.005 0.000 0.620 549 A CB -0.975 18.031 19.000 0.010 0.000 0.819 549 A HN 1.039 nan 8.150 nan 0.000 0.442 550 A N -0.194 122.645 122.820 0.031 0.000 1.877 550 A HA -0.031 4.293 4.320 0.005 0.000 0.216 550 A C 2.156 179.863 177.584 0.204 0.000 1.186 550 A CA 1.483 53.605 52.037 0.141 0.000 0.620 550 A CB -0.609 18.448 19.000 0.096 0.000 0.822 550 A HN 0.464 nan 8.150 nan 0.000 0.443 551 L N -0.803 120.459 121.223 0.065 0.000 2.093 551 L HA -0.161 4.182 4.340 0.005 0.000 0.208 551 L C 2.617 179.543 176.870 0.093 0.000 1.085 551 L CA 1.775 56.673 54.840 0.098 0.000 0.755 551 L CB -0.360 41.692 42.059 -0.013 0.000 0.904 551 L HN 0.450 nan 8.230 nan 0.000 0.435 552 K N 0.008 120.442 120.400 0.057 0.000 2.097 552 K HA -0.227 4.097 4.320 0.005 0.000 0.205 552 K C 2.181 178.816 176.600 0.059 0.000 1.050 552 K CA 1.219 57.533 56.287 0.046 0.000 0.938 552 K CB 0.056 32.572 32.500 0.027 0.000 0.718 552 K HN 0.259 nan 8.250 nan 0.000 0.442 553 Q N -0.027 119.819 119.800 0.076 0.000 2.046 553 Q HA -0.149 4.195 4.340 0.005 0.000 0.200 553 Q C 1.923 177.968 176.000 0.074 0.000 0.975 553 Q CA 1.561 57.406 55.803 0.071 0.000 0.836 553 Q CB -0.178 28.610 28.738 0.084 0.000 0.896 553 Q HN 0.408 nan 8.270 nan 0.000 0.428 554 A N 1.212 124.099 122.820 0.112 0.000 1.940 554 A HA -0.246 4.077 4.320 0.005 0.000 0.219 554 A C 2.079 179.706 177.584 0.070 0.000 1.176 554 A CA 1.706 53.798 52.037 0.091 0.000 0.631 554 A CB -0.690 18.420 19.000 0.183 0.000 0.814 554 A HN 0.445 nan 8.150 nan 0.000 0.446 555 R N -0.426 120.118 120.500 0.073 0.000 2.081 555 R HA -0.160 4.183 4.340 0.005 0.000 0.235 555 R C 1.383 177.709 176.300 0.044 0.000 1.131 555 R CA 1.787 57.917 56.100 0.051 0.000 0.960 555 R CB -0.352 29.974 30.300 0.044 0.000 0.856 555 R HN 0.430 nan 8.270 nan 0.000 0.436 556 D N 0.489 120.916 120.400 0.046 0.000 2.117 556 D HA -0.143 4.500 4.640 0.005 0.000 0.197 556 D C 1.766 178.105 176.300 0.066 0.000 0.987 556 D CA 1.618 55.645 54.000 0.045 0.000 0.829 556 D CB -0.317 40.502 40.800 0.032 0.000 0.961 556 D HN 0.410 nan 8.370 nan 0.000 0.460 557 A N 1.017 123.876 122.820 0.065 0.000 1.902 557 A HA -0.202 4.122 4.320 0.005 0.000 0.217 557 A C 2.188 179.829 177.584 0.095 0.000 1.181 557 A CA 1.515 53.606 52.037 0.091 0.000 0.623 557 A CB -0.501 18.535 19.000 0.059 0.000 0.818 557 A HN 0.099 nan 8.150 nan 0.000 0.443 558 R N -0.231 120.300 120.500 0.052 0.000 2.091 558 R HA -0.093 4.251 4.340 0.005 0.000 0.238 558 R C 1.976 178.289 176.300 0.021 0.000 1.136 558 R CA 1.645 57.759 56.100 0.022 0.000 0.959 558 R CB -0.435 29.867 30.300 0.004 0.000 0.856 558 R HN 0.558 nan 8.270 nan 0.000 0.437 559 L N -0.486 120.761 121.223 0.040 0.000 2.093 559 L HA -0.180 4.163 4.340 0.005 0.000 0.208 559 L C 2.623 179.537 176.870 0.074 0.000 1.085 559 L CA 1.430 56.292 54.840 0.038 0.000 0.755 559 L CB -0.635 41.448 42.059 0.040 0.000 0.904 559 L HN 0.346 nan 8.230 nan 0.000 0.435 560 H N 0.619 119.695 119.070 0.009 0.000 2.326 560 H HA -0.132 4.427 4.556 0.005 0.000 0.301 560 H C 2.131 177.476 175.328 0.029 0.000 1.081 560 H CA 1.736 57.794 56.048 0.017 0.000 1.334 560 H CB -0.115 29.659 29.762 0.020 0.000 1.385 560 H HN 0.180 nan 8.280 nan 0.000 0.504 561 I N -0.005 120.509 120.570 -0.092 0.000 2.286 561 I HA -0.254 3.919 4.170 0.005 0.000 0.248 561 I C 2.268 178.337 176.117 -0.080 0.000 1.115 561 I CA 0.966 62.201 61.300 -0.108 0.000 1.392 561 I CB -0.245 37.763 38.000 0.013 0.000 1.065 561 I HN 0.260 nan 8.210 nan 0.000 0.418 562 L N 0.183 121.370 121.223 -0.060 0.000 2.131 562 L HA -0.226 4.117 4.340 0.005 0.000 0.210 562 L C 2.080 178.919 176.870 -0.051 0.000 1.092 562 L CA 1.096 55.902 54.840 -0.057 0.000 0.759 562 L CB -0.594 41.434 42.059 -0.052 0.000 0.903 562 L HN 0.274 nan 8.230 nan 0.000 0.435 563 D N -0.429 119.937 120.400 -0.056 0.000 2.097 563 D HA -0.066 4.577 4.640 0.005 0.000 0.197 563 D C 1.300 177.565 176.300 -0.059 0.000 0.984 563 D CA 0.669 54.644 54.000 -0.041 0.000 0.826 563 D CB -0.181 40.616 40.800 -0.004 0.000 0.973 563 D HN 0.002 nan 8.370 nan 0.000 0.460 568 A N 1.136 123.958 122.820 0.003 0.000 1.898 568 A HA 0.301 4.624 4.320 0.005 0.000 0.214 568 A C 1.041 178.627 177.584 0.003 0.000 1.183 568 A CA 0.828 52.870 52.037 0.008 0.000 0.622 568 A CB 0.361 19.373 19.000 0.021 0.000 0.824 568 A HN 0.233 nan 8.150 nan 0.000 0.444 569 I N -2.076 118.492 120.570 -0.002 0.000 2.710 569 I HA 0.276 4.449 4.170 0.005 0.000 0.290 569 I C -0.626 175.480 176.117 -0.018 0.000 1.318 569 I CA -0.435 60.860 61.300 -0.009 0.000 1.045 569 I CB 1.966 39.961 38.000 -0.008 0.000 1.307 569 I HN 0.135 nan 8.210 nan 0.000 0.424 570 D N 3.174 123.562 120.400 -0.020 0.000 2.840 570 D HA 0.128 4.772 4.640 0.005 0.000 0.277 570 D C 0.461 176.741 176.300 -0.033 0.000 1.066 570 D CA 1.307 55.292 54.000 -0.025 0.000 0.979 570 D CB 0.603 41.392 40.800 -0.019 0.000 1.157 570 D HN 0.602 nan 8.370 nan 0.000 0.466 571 T N -0.750 113.785 114.554 -0.031 0.000 2.950 571 T HA 0.627 4.980 4.350 0.005 0.000 0.288 571 T C -2.581 172.094 174.700 -0.043 0.000 1.035 571 T CA -1.711 60.366 62.100 -0.038 0.000 1.028 571 T CB 1.696 70.546 68.868 -0.030 0.000 1.109 571 T HN -0.109 nan 8.240 nan 0.000 0.514 572 P HA 0.209 nan 4.420 nan 0.000 0.267 572 P C -0.640 176.635 177.300 -0.041 0.000 1.200 572 P CA -0.049 63.013 63.100 -0.064 0.000 0.772 572 P CB 0.492 32.133 31.700 -0.099 0.000 0.855 573 D N 0.549 120.930 120.400 -0.032 0.000 2.451 573 D HA 0.171 4.814 4.640 0.005 0.000 0.259 573 D C 0.524 176.816 176.300 -0.013 0.000 1.201 573 D CA -0.118 53.871 54.000 -0.017 0.000 1.028 573 D CB 0.559 41.354 40.800 -0.008 0.000 1.095 573 D HN 0.381 nan 8.370 nan 0.000 0.539 577 P HA -0.014 nan 4.420 nan 0.000 0.219 577 P C 0.839 178.144 177.300 0.008 0.000 1.150 577 P CA 0.908 64.010 63.100 0.004 0.000 0.814 577 P CB -0.120 31.590 31.700 0.016 0.000 0.787 578 N N 0.470 119.192 118.700 0.037 0.000 2.453 578 N HA -0.024 4.719 4.740 0.005 0.000 0.183 578 N C 1.047 176.586 175.510 0.049 0.000 1.041 578 N CA 0.541 53.644 53.050 0.089 0.000 0.900 578 N CB -0.389 38.205 38.487 0.178 0.000 0.961 578 N HN 0.199 nan 8.380 nan 0.000 0.443 579 A N 2.387 125.094 122.820 -0.188 0.000 2.340 579 A HA 0.381 4.705 4.320 0.005 0.000 0.268 579 A C -2.090 175.418 177.584 -0.128 0.000 1.100 579 A CA -1.151 50.604 52.037 -0.469 0.000 0.803 579 A CB 0.265 18.849 19.000 -0.692 0.000 1.043 579 A HN -0.014 nan 8.150 nan 0.000 0.488 580 P HA 0.291 nan 4.420 nan 0.000 0.277 580 P C -1.050 176.330 177.300 0.134 0.000 1.240 580 P CA -0.392 62.741 63.100 0.056 0.000 0.798 580 P CB 0.748 32.487 31.700 0.066 0.000 0.979 581 R N 2.371 122.914 120.500 0.072 0.000 2.295 581 R HA 0.539 4.882 4.340 0.005 0.000 0.324 581 R C -0.010 176.272 176.300 -0.029 0.000 0.968 581 R CA -0.825 55.325 56.100 0.083 0.000 0.837 581 R CB 0.830 31.160 30.300 0.049 0.000 1.133 581 R HN 0.492 nan 8.270 nan 0.000 0.450 582 I N 4.195 124.685 120.570 -0.134 0.000 2.562 582 I HA 0.414 4.587 4.170 0.005 0.000 0.301 582 I C 0.763 176.783 176.117 -0.161 0.000 1.003 582 I CA -0.905 60.225 61.300 -0.283 0.000 1.127 582 I CB 1.449 39.035 38.000 -0.690 0.000 1.304 582 I HN 0.294 nan 8.210 nan 0.000 0.446 606 I N 1.079 121.646 120.570 -0.005 0.000 3.059 606 I HA 0.490 4.663 4.170 0.005 0.000 0.270 606 I C 2.452 178.565 176.117 -0.006 0.000 1.238 606 I CA 2.513 63.810 61.300 -0.006 0.000 1.478 606 I CB -1.478 36.518 38.000 -0.007 0.000 1.097 606 I HN 1.101 nan 8.210 nan 0.000 0.455 607 Q N 0.331 120.127 119.800 -0.007 0.000 2.435 607 Q HA 0.117 4.460 4.340 0.005 0.000 0.207 607 Q C 1.892 177.889 176.000 -0.005 0.000 0.956 607 Q CA 1.895 57.694 55.803 -0.007 0.000 0.917 607 Q CB -1.045 27.688 28.738 -0.008 0.000 0.997 607 Q HN 1.038 nan 8.270 nan 0.000 0.497 608 E N -0.218 119.980 120.200 -0.004 0.000 2.206 608 E HA 0.125 4.478 4.350 0.005 0.000 0.195 608 E C 1.870 178.469 176.600 -0.002 0.000 0.935 608 E CA 1.311 57.709 56.400 -0.003 0.000 0.875 608 E CB -0.916 28.783 29.700 -0.002 0.000 0.841 608 E HN 0.841 nan 8.360 nan 0.000 0.477 609 D N -0.125 120.273 120.400 -0.003 0.000 2.097 609 D HA 0.036 4.679 4.640 0.005 0.000 0.197 609 D C 2.255 178.553 176.300 -0.002 0.000 0.984 609 D CA 2.743 56.742 54.000 -0.002 0.000 0.826 609 D CB -1.051 39.748 40.800 -0.002 0.000 0.973 609 D HN 0.619 nan 8.370 nan 0.000 0.460 610 T N -2.154 112.398 114.554 -0.004 0.000 3.081 610 T HA 0.439 4.792 4.350 0.005 0.000 0.255 610 T C 2.194 176.892 174.700 -0.004 0.000 1.113 610 T CA 1.305 63.403 62.100 -0.004 0.000 1.082 610 T CB -0.190 68.674 68.868 -0.006 0.000 0.939 610 T HN 1.433 nan 8.240 nan 0.000 0.506 611 G N 0.246 109.044 108.800 -0.003 0.000 2.168 611 G HA2 0.175 4.138 3.960 0.005 0.000 0.257 611 G HA3 0.175 4.138 3.960 0.005 0.000 0.257 611 G C 0.245 175.142 174.900 -0.004 0.000 0.997 611 G CA 0.401 45.500 45.100 -0.002 0.000 0.708 611 G HN 1.590 nan 8.290 nan 0.000 0.520 612 A N -1.030 121.785 122.820 -0.007 0.000 2.343 612 A HA 0.936 5.260 4.320 0.005 0.000 0.316 612 A C -0.018 177.557 177.584 -0.015 0.000 1.104 612 A CA 0.856 52.886 52.037 -0.012 0.000 0.768 612 A CB 1.227 20.218 19.000 -0.015 0.000 1.213 612 A HN 1.722 nan 8.150 nan 0.000 0.456 613 E N 0.685 120.875 120.200 -0.018 0.000 2.229 613 E HA 0.589 4.942 4.350 0.005 0.000 0.283 613 E C -0.004 176.579 176.600 -0.029 0.000 1.030 613 E CA 0.133 56.521 56.400 -0.020 0.000 0.836 613 E CB 0.633 30.323 29.700 -0.017 0.000 1.068 613 E HN 2.076 nan 8.360 nan 0.000 0.401 624 I N 0.820 121.348 120.570 -0.071 0.000 2.646 624 I HA 1.028 5.201 4.170 0.005 0.000 0.299 624 I C 0.577 176.646 176.117 -0.080 0.000 1.036 624 I CA -0.416 60.843 61.300 -0.068 0.000 1.074 624 I CB 1.761 39.733 38.000 -0.045 0.000 1.258 624 I HN 2.009 nan 8.210 nan 0.000 0.430 625 G N 1.337 110.088 108.800 -0.081 0.000 3.121 625 G HA2 0.591 4.554 3.960 0.005 0.000 0.133 625 G HA3 0.591 4.554 3.960 0.005 0.000 0.133 625 G C 1.087 175.957 174.900 -0.050 0.000 1.398 625 G CA 0.848 45.902 45.100 -0.077 0.000 1.037 625 G HN 2.579 nan 8.290 nan 0.000 0.644 626 A N -0.337 122.451 122.820 -0.053 0.000 2.681 626 A HA 0.187 4.511 4.320 0.005 0.000 0.304 626 A C 0.802 178.379 177.584 -0.011 0.000 1.516 626 A CA 1.842 53.864 52.037 -0.025 0.000 0.837 626 A CB -1.830 17.156 19.000 -0.023 0.000 0.998 626 A HN 2.141 nan 8.150 nan 0.000 0.466 627 A N -1.387 121.428 122.820 -0.008 0.000 2.318 627 A HA 0.667 4.990 4.320 0.005 0.000 0.324 627 A C 0.868 178.458 177.584 0.010 0.000 1.170 627 A CA 0.970 53.007 52.037 0.001 0.000 0.810 627 A CB 0.629 19.628 19.000 -0.002 0.000 1.198 627 A HN 1.507 nan 8.150 nan 0.000 0.484 628 D N 0.705 121.113 120.400 0.013 0.000 2.354 628 D HA 0.262 4.905 4.640 0.005 0.000 0.216 628 D C 1.388 177.697 176.300 0.015 0.000 0.970 628 D CA 2.077 56.087 54.000 0.018 0.000 0.905 628 D CB -0.050 40.762 40.800 0.019 0.000 0.903 628 D HN 1.806 nan 8.370 nan 0.000 0.508 629 G N -1.226 107.583 108.800 0.013 0.000 4.172 629 G HA2 0.005 3.968 3.960 0.005 0.000 0.204 629 G HA3 0.005 3.968 3.960 0.005 0.000 0.204 629 G C -1.119 173.788 174.900 0.012 0.000 1.256 629 G CA 0.375 45.484 45.100 0.015 0.000 0.886 629 G HN 0.488 nan 8.290 nan 0.000 0.344 630 P HA 0.212 nan 4.420 nan 0.000 0.207 630 P C 1.382 178.685 177.300 0.006 0.000 0.993 630 P CA 2.132 65.237 63.100 0.008 0.000 0.885 630 P CB -0.371 31.334 31.700 0.007 0.000 0.600 631 A N -1.062 121.761 122.820 0.004 0.000 2.352 631 A HA 0.088 4.412 4.320 0.005 0.000 0.286 631 A C 0.708 178.293 177.584 0.001 0.000 1.415 631 A CA 1.040 53.078 52.037 0.001 0.000 0.784 631 A CB -2.132 16.867 19.000 -0.002 0.000 1.065 631 A HN 1.006 nan 8.150 nan 0.000 0.378 632 A N 0.000 122.822 122.820 0.003 0.000 2.254 632 A HA 0.000 4.323 4.320 0.005 0.000 0.244 632 A CA 0.000 52.039 52.037 0.004 0.000 0.836 632 A CB 0.000 19.001 19.000 0.002 0.000 0.831 632 A HN 0.000 nan 8.150 nan 0.000 0.486