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 2qve_1_A DATA FIRST_RESID 12 DATA SEQUENCE PVSVDGETLT VEAVRRVAEE RATVDVPAES IAKAQKSREI FEGIAEQNIP DATA SEQUENCE IYGVTTGYGE MIYMQVDKSK EVELQTNLVR SHSAGVGPLF AEDEARAIVA DATA SEQUENCE ARLNTLAKGH SAVRPIILER LAQYLNEGIT PAIPEIGSLG XXXDLAPLSH DATA SEQUENCE VASTLIGEGY VLRDGRPVET AQVLAERGIE PLELRFKEGL ALINGTSGMT DATA SEQUENCE GLGSLVVGRA LEQAQQAEIV TALLIEAVRG STSPFLAEGH DIARPHEGQI DATA SEQUENCE DTAANMRALM RGSGLTVEHA DLRRELQKDK EAGKDVQRSE IYLQKAYSLR DATA SEQUENCE AIPQVVGAVR DTLYHARHKL RIELNSANDN PLFFEGKEIF HGANFHGQPI DATA SEQUENCE AFAMDFVTIA LTQLGVLAER QINRVLNRHL SYGLPEFLVS GDPGLHSGFA DATA SEQUENCE GAQYPATALV AENRTIGPAS TQSVPSNGDN QDVVSMGLIS ARNARRVLSN DATA SEQUENCE NNKILAVEYL AAAQAVDISG RFDGLSPAAK ATYEAVRRLV PTLGVDRYMA DATA SEQUENCE DDIELVADAL SRGEFLRAIA RETDIQLR 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 12 P HA 0.000 nan 4.420 nan 0.000 0.216 12 P C 0.000 177.302 177.300 0.004 0.000 1.155 12 P CA 0.000 63.102 63.100 0.004 0.000 0.800 12 P CB 0.000 31.702 31.700 0.003 0.000 0.726 13 V N 0.532 120.448 119.914 0.004 0.000 2.370 13 V HA 0.536 4.658 4.120 0.004 0.000 0.283 13 V C 0.307 176.403 176.094 0.003 0.000 1.023 13 V CA -0.407 61.895 62.300 0.004 0.000 0.857 13 V CB 1.687 33.512 31.823 0.004 0.000 0.985 13 V HN 0.702 nan 8.190 nan 0.000 0.443 14 S N 4.637 120.339 115.700 0.002 0.000 2.400 14 S HA 0.307 4.779 4.470 0.004 0.000 0.295 14 S C -0.206 174.394 174.600 0.000 0.000 1.113 14 S CA -0.471 57.729 58.200 0.001 0.000 1.064 14 S CB 0.427 63.628 63.200 0.001 0.000 0.990 14 S HN 0.508 nan 8.310 nan 0.000 0.502 15 V N 6.639 126.552 119.914 -0.003 0.000 2.267 15 V HA 0.206 4.329 4.120 0.004 0.000 0.254 15 V C 0.383 176.473 176.094 -0.007 0.000 1.144 15 V CA -0.368 61.930 62.300 -0.004 0.000 0.992 15 V CB 0.389 32.208 31.823 -0.007 0.000 1.199 15 V HN 0.938 nan 8.190 nan 0.000 0.493 16 D N 2.144 122.542 120.400 -0.004 0.000 2.440 16 D HA 0.170 4.812 4.640 0.004 0.000 0.216 16 D C 1.507 177.805 176.300 -0.002 0.000 1.150 16 D CA 0.304 54.301 54.000 -0.005 0.000 0.832 16 D CB 0.480 41.279 40.800 -0.002 0.000 0.992 16 D HN 0.547 nan 8.370 nan 0.000 0.502 17 G N 0.374 109.175 108.800 0.001 0.000 2.180 17 G HA2 -0.344 3.618 3.960 0.004 0.000 0.263 17 G HA3 -0.344 3.618 3.960 0.004 0.000 0.263 17 G C 0.849 175.762 174.900 0.022 0.000 0.989 17 G CA 0.940 46.046 45.100 0.011 0.000 0.692 17 G HN 0.415 nan 8.290 nan 0.000 0.526 18 E N -1.848 118.363 120.200 0.018 0.000 2.571 18 E HA 0.064 4.416 4.350 0.004 0.000 0.204 18 E C 2.138 178.750 176.600 0.020 0.000 0.851 18 E CA 1.413 57.827 56.400 0.024 0.000 1.358 18 E CB -0.167 29.547 29.700 0.024 0.000 1.327 18 E HN 0.702 nan 8.360 nan 0.000 0.665 19 T N -0.640 113.924 114.554 0.015 0.000 3.129 19 T HA 0.283 4.636 4.350 0.004 0.000 0.267 19 T C 0.578 175.286 174.700 0.013 0.000 1.018 19 T CA -0.388 61.721 62.100 0.015 0.000 0.903 19 T CB -0.078 68.797 68.868 0.013 0.000 1.067 19 T HN -0.140 nan 8.240 nan 0.000 0.549 20 L N 4.425 125.655 121.223 0.012 0.000 2.490 20 L HA 0.447 4.789 4.340 0.004 0.000 0.274 20 L C 0.465 177.343 176.870 0.013 0.000 1.201 20 L CA 0.632 55.477 54.840 0.010 0.000 0.869 20 L CB 0.596 42.658 42.059 0.006 0.000 1.123 20 L HN 0.520 nan 8.230 nan 0.000 0.484 21 T N 1.042 115.604 114.554 0.014 0.000 2.950 21 T HA 0.425 4.777 4.350 0.004 0.000 0.288 21 T C 1.162 175.873 174.700 0.018 0.000 1.035 21 T CA -0.551 61.560 62.100 0.019 0.000 1.028 21 T CB 1.261 70.141 68.868 0.019 0.000 1.109 21 T HN 0.274 nan 8.240 nan 0.000 0.514 22 V N 1.191 121.119 119.914 0.024 0.000 2.332 22 V HA -0.121 4.002 4.120 0.004 0.000 0.248 22 V C 2.821 178.928 176.094 0.022 0.000 1.055 22 V CA 1.823 64.138 62.300 0.024 0.000 1.038 22 V CB -0.788 31.058 31.823 0.037 0.000 0.651 22 V HN 0.860 nan 8.190 nan 0.000 0.450 23 E N 0.126 120.341 120.200 0.025 0.000 2.150 23 E HA -0.144 4.208 4.350 0.004 0.000 0.193 23 E C 2.349 178.958 176.600 0.015 0.000 0.985 23 E CA 1.397 57.811 56.400 0.022 0.000 0.814 23 E CB -0.497 29.217 29.700 0.023 0.000 0.752 23 E HN 0.582 nan 8.360 nan 0.000 0.466 24 A N 0.869 123.697 122.820 0.013 0.000 1.902 24 A HA -0.141 4.181 4.320 0.004 0.000 0.217 24 A C 2.610 180.198 177.584 0.007 0.000 1.181 24 A CA 1.434 53.476 52.037 0.009 0.000 0.623 24 A CB -0.682 18.323 19.000 0.009 0.000 0.818 24 A HN 0.142 nan 8.150 nan 0.000 0.443 25 V N 0.075 119.992 119.914 0.006 0.000 2.332 25 V HA -0.289 3.834 4.120 0.004 0.000 0.248 25 V C 2.656 178.751 176.094 0.001 0.000 1.055 25 V CA 2.325 64.625 62.300 0.000 0.000 1.038 25 V CB -0.809 31.012 31.823 -0.003 0.000 0.651 25 V HN 0.538 nan 8.190 nan 0.000 0.450 26 R N -0.456 120.047 120.500 0.005 0.000 2.092 26 R HA -0.107 4.235 4.340 0.004 0.000 0.231 26 R C 2.532 178.836 176.300 0.007 0.000 1.119 26 R CA 1.293 57.397 56.100 0.007 0.000 0.970 26 R CB -0.326 29.982 30.300 0.013 0.000 0.864 26 R HN 0.487 nan 8.270 nan 0.000 0.440 27 R N 0.101 120.605 120.500 0.007 0.000 2.073 27 R HA -0.096 4.247 4.340 0.004 0.000 0.234 27 R C 2.313 178.617 176.300 0.006 0.000 1.134 27 R CA 1.437 57.541 56.100 0.007 0.000 0.952 27 R CB -0.442 29.862 30.300 0.007 0.000 0.850 27 R HN 0.049 nan 8.270 nan 0.000 0.433 28 V N 0.859 120.776 119.914 0.005 0.000 2.295 28 V HA -0.238 3.885 4.120 0.004 0.000 0.246 28 V C 2.373 178.470 176.094 0.005 0.000 1.049 28 V CA 2.047 64.351 62.300 0.005 0.000 1.024 28 V CB -0.623 31.202 31.823 0.004 0.000 0.648 28 V HN 0.432 nan 8.190 nan 0.000 0.447 29 A N -0.447 122.373 122.820 0.002 0.000 1.854 29 A HA -0.168 4.154 4.320 0.004 0.000 0.214 29 A C 2.172 179.758 177.584 0.004 0.000 1.192 29 A CA 1.702 53.739 52.037 -0.000 0.000 0.611 29 A CB -0.350 18.645 19.000 -0.009 0.000 0.832 29 A HN 0.600 nan 8.150 nan 0.000 0.442 30 E N -0.424 119.779 120.200 0.004 0.000 2.102 30 E HA -0.040 4.313 4.350 0.004 0.000 0.190 30 E C 0.977 177.580 176.600 0.005 0.000 0.971 30 E CA 0.891 57.294 56.400 0.006 0.000 0.821 30 E CB 0.036 29.740 29.700 0.007 0.000 0.777 30 E HN 0.675 nan 8.360 nan 0.000 0.460 31 E N 0.714 120.917 120.200 0.004 0.000 2.437 31 E HA 0.141 4.494 4.350 0.004 0.000 0.195 31 E C -0.469 176.134 176.600 0.004 0.000 1.029 31 E CA -0.231 56.171 56.400 0.003 0.000 0.948 31 E CB 0.474 30.176 29.700 0.003 0.000 1.082 31 E HN 0.019 nan 8.360 nan 0.000 0.456 32 R N 0.274 120.777 120.500 0.005 0.000 3.301 32 R HA -0.194 4.149 4.340 0.004 0.000 0.249 32 R C -0.344 175.960 176.300 0.007 0.000 0.964 32 R CA 0.746 56.850 56.100 0.006 0.000 0.653 32 R CB -2.353 27.950 30.300 0.005 0.000 1.043 32 R HN 0.267 nan 8.270 nan 0.000 0.454 33 A N 0.697 123.521 122.820 0.006 0.000 2.440 33 A HA 0.310 4.632 4.320 0.004 0.000 0.251 33 A C 0.692 178.280 177.584 0.008 0.000 1.089 33 A CA 0.083 52.124 52.037 0.006 0.000 0.779 33 A CB 0.433 19.437 19.000 0.006 0.000 1.022 33 A HN 0.258 nan 8.150 nan 0.000 0.492 34 T N 1.794 116.353 114.554 0.007 0.000 2.940 34 T HA 0.326 4.678 4.350 0.004 0.000 0.309 34 T C 0.262 174.966 174.700 0.008 0.000 1.056 34 T CA 0.215 62.320 62.100 0.009 0.000 1.137 34 T CB 0.341 69.214 68.868 0.007 0.000 0.976 34 T HN 0.431 nan 8.240 nan 0.000 0.547 35 V N 2.740 122.660 119.914 0.009 0.000 2.667 35 V HA 0.551 4.673 4.120 0.004 0.000 0.308 35 V C -0.308 175.789 176.094 0.005 0.000 1.048 35 V CA -0.648 61.656 62.300 0.007 0.000 0.928 35 V CB 2.136 33.964 31.823 0.008 0.000 1.004 35 V HN 0.968 nan 8.190 nan 0.000 0.444 36 D N 2.164 122.565 120.400 0.001 0.000 2.855 36 D HA 0.419 5.061 4.640 0.004 0.000 0.241 36 D C -1.164 175.133 176.300 -0.005 0.000 1.277 36 D CA -0.290 53.709 54.000 -0.001 0.000 0.918 36 D CB 2.087 42.887 40.800 -0.000 0.000 1.462 36 D HN 0.258 nan 8.370 nan 0.000 0.559 37 V N 6.218 126.127 119.914 -0.009 0.000 2.389 37 V HA 0.374 4.496 4.120 0.004 0.000 0.264 37 V C -1.614 174.473 176.094 -0.012 0.000 1.049 37 V CA -1.171 61.121 62.300 -0.013 0.000 0.932 37 V CB 0.835 32.645 31.823 -0.020 0.000 1.011 37 V HN 0.559 nan 8.190 nan 0.000 0.475 38 P HA 0.057 nan 4.420 nan 0.000 0.267 38 P C 0.735 178.028 177.300 -0.012 0.000 1.200 38 P CA 0.048 63.143 63.100 -0.009 0.000 0.772 38 P CB 1.094 32.790 31.700 -0.007 0.000 0.855 39 A N 3.412 126.226 122.820 -0.010 0.000 1.948 39 A HA -0.259 4.063 4.320 0.004 0.000 0.220 39 A C 1.984 179.559 177.584 -0.014 0.000 1.177 39 A CA 2.083 54.113 52.037 -0.011 0.000 0.636 39 A CB -1.145 17.851 19.000 -0.008 0.000 0.815 39 A HN 0.594 nan 8.150 nan 0.000 0.449 40 E N 0.100 120.293 120.200 -0.012 0.000 2.077 40 E HA -0.104 4.249 4.350 0.004 0.000 0.193 40 E C 2.271 178.858 176.600 -0.022 0.000 0.989 40 E CA 1.497 57.889 56.400 -0.013 0.000 0.800 40 E CB -0.311 29.384 29.700 -0.008 0.000 0.746 40 E HN 0.567 nan 8.360 nan 0.000 0.452 41 S N 0.308 115.993 115.700 -0.024 0.000 2.368 41 S HA -0.076 4.397 4.470 0.004 0.000 0.224 41 S C 1.838 176.412 174.600 -0.043 0.000 1.029 41 S CA 0.642 58.820 58.200 -0.036 0.000 0.988 41 S CB -0.106 63.075 63.200 -0.031 0.000 0.838 41 S HN 0.153 nan 8.310 nan 0.000 0.462 42 I N 2.184 122.733 120.570 -0.035 0.000 2.179 42 I HA -0.175 3.998 4.170 0.004 0.000 0.242 42 I C 2.726 178.820 176.117 -0.038 0.000 1.088 42 I CA 1.318 62.596 61.300 -0.036 0.000 1.357 42 I CB -1.763 36.220 38.000 -0.028 0.000 1.051 42 I HN 0.228 nan 8.210 nan 0.000 0.409 43 A N 0.806 123.608 122.820 -0.030 0.000 1.865 43 A HA -0.268 4.054 4.320 0.004 0.000 0.217 43 A C 2.456 180.020 177.584 -0.034 0.000 1.191 43 A CA 2.090 54.111 52.037 -0.026 0.000 0.623 43 A CB -0.685 18.305 19.000 -0.016 0.000 0.826 43 A HN 0.397 nan 8.150 nan 0.000 0.444 44 K N -0.444 119.931 120.400 -0.041 0.000 2.209 44 K HA -0.068 4.255 4.320 0.004 0.000 0.204 44 K C 2.009 178.559 176.600 -0.083 0.000 1.048 44 K CA 1.137 57.391 56.287 -0.055 0.000 0.940 44 K CB -0.266 32.191 32.500 -0.071 0.000 0.729 44 K HN 0.404 nan 8.250 nan 0.000 0.451 45 A N 1.578 124.347 122.820 -0.084 0.000 1.874 45 A HA -0.197 4.125 4.320 0.004 0.000 0.214 45 A C 2.048 179.574 177.584 -0.098 0.000 1.189 45 A CA 1.330 53.306 52.037 -0.102 0.000 0.615 45 A CB -0.561 18.387 19.000 -0.086 0.000 0.830 45 A HN 0.606 nan 8.150 nan 0.000 0.443 46 Q N -0.132 119.626 119.800 -0.069 0.000 2.170 46 Q HA -0.159 4.183 4.340 0.004 0.000 0.203 46 Q C 1.753 177.714 176.000 -0.065 0.000 0.976 46 Q CA 1.728 57.496 55.803 -0.058 0.000 0.858 46 Q CB -0.357 28.358 28.738 -0.038 0.000 0.907 46 Q HN 0.595 nan 8.270 nan 0.000 0.433 47 K N 1.047 121.411 120.400 -0.060 0.000 2.103 47 K HA -0.054 4.268 4.320 0.004 0.000 0.204 47 K C 2.464 179.000 176.600 -0.107 0.000 1.052 47 K CA 1.399 57.658 56.287 -0.047 0.000 0.945 47 K CB 0.038 32.534 32.500 -0.006 0.000 0.722 47 K HN 0.372 nan 8.250 nan 0.000 0.443 48 S N 0.964 116.560 115.700 -0.173 0.000 2.406 48 S HA -0.118 4.354 4.470 0.004 0.000 0.228 48 S C 2.024 176.272 174.600 -0.587 0.000 1.020 48 S CA 0.812 58.739 58.200 -0.454 0.000 0.965 48 S CB -0.075 62.944 63.200 -0.301 0.000 0.798 48 S HN 0.118 nan 8.310 nan 0.000 0.488 49 R N 1.638 121.971 120.500 -0.279 0.000 2.062 49 R HA 0.106 4.448 4.340 0.004 0.000 0.229 49 R C 2.186 178.435 176.300 -0.086 0.000 1.128 49 R CA 1.792 57.803 56.100 -0.149 0.000 0.960 49 R CB -0.857 29.395 30.300 -0.079 0.000 0.855 49 R HN 0.605 nan 8.270 nan 0.000 0.432 50 E N 0.051 120.197 120.200 -0.091 0.000 2.033 50 E HA -0.237 4.115 4.350 0.004 0.000 0.199 50 E C 2.000 178.564 176.600 -0.060 0.000 1.011 50 E CA 2.078 58.447 56.400 -0.052 0.000 0.815 50 E CB -0.284 29.395 29.700 -0.034 0.000 0.755 50 E HN 0.354 nan 8.360 nan 0.000 0.451 51 I N 0.360 120.877 120.570 -0.088 0.000 2.127 51 I HA -0.284 3.889 4.170 0.004 0.000 0.241 51 I C 2.417 178.513 176.117 -0.036 0.000 1.075 51 I CA 1.070 62.362 61.300 -0.014 0.000 1.334 51 I CB -0.385 37.708 38.000 0.154 0.000 1.040 51 I HN 0.110 nan 8.210 nan 0.000 0.405 52 F N 2.014 121.746 119.950 -0.362 0.000 2.091 52 F HA -0.262 4.268 4.527 0.004 0.000 0.299 52 F C 2.467 178.178 175.800 -0.148 0.000 1.103 52 F CA 1.890 59.750 58.000 -0.234 0.000 1.228 52 F CB -0.387 38.404 39.000 -0.349 0.000 0.984 52 F HN 0.065 nan 8.300 nan 0.000 0.477 53 E N -0.279 119.806 120.200 -0.193 0.000 2.118 53 E HA -0.198 4.155 4.350 0.004 0.000 0.195 53 E C 2.456 178.883 176.600 -0.288 0.000 0.992 53 E CA 0.993 57.246 56.400 -0.244 0.000 0.804 53 E CB -0.751 28.933 29.700 -0.026 0.000 0.741 53 E HN 0.588 nan 8.360 nan 0.000 0.458 54 G N 0.829 109.520 108.800 -0.182 0.000 2.443 54 G HA2 -0.197 3.766 3.960 0.004 0.000 0.219 54 G HA3 -0.197 3.766 3.960 0.004 0.000 0.219 54 G C 1.526 176.313 174.900 -0.188 0.000 1.131 54 G CA 0.370 45.388 45.100 -0.136 0.000 0.775 54 G HN 0.131 nan 8.290 nan 0.000 0.547 55 I N 0.962 121.367 120.570 -0.274 0.000 2.277 55 I HA -0.025 4.148 4.170 0.004 0.000 0.243 55 I C 3.185 179.049 176.117 -0.422 0.000 1.094 55 I CA 0.865 61.997 61.300 -0.280 0.000 1.393 55 I CB -0.216 37.645 38.000 -0.232 0.000 1.078 55 I HN 0.196 nan 8.210 nan 0.000 0.417 56 A N 0.257 122.628 122.820 -0.748 0.000 2.067 56 A HA -0.155 4.167 4.320 0.004 0.000 0.219 56 A C 2.125 179.329 177.584 -0.633 0.000 1.158 56 A CA 1.251 52.759 52.037 -0.882 0.000 0.661 56 A CB -0.370 17.692 19.000 -1.563 0.000 0.801 56 A HN 0.317 nan 8.150 nan 0.000 0.452 57 E N 0.169 120.110 120.200 -0.431 0.000 2.268 57 E HA -0.140 4.213 4.350 0.004 0.000 0.195 57 E C 1.465 177.982 176.600 -0.139 0.000 0.995 57 E CA 0.808 57.082 56.400 -0.210 0.000 0.836 57 E CB -0.214 29.410 29.700 -0.127 0.000 0.763 57 E HN 0.785 nan 8.360 nan 0.000 0.491 58 Q N 0.417 120.122 119.800 -0.157 0.000 2.365 58 Q HA 0.055 4.397 4.340 0.004 0.000 0.203 58 Q C -0.039 175.907 176.000 -0.090 0.000 0.929 58 Q CA -0.281 55.463 55.803 -0.099 0.000 0.948 58 Q CB 0.115 28.802 28.738 -0.086 0.000 1.043 58 Q HN 0.100 nan 8.270 nan 0.000 0.505 59 N N 1.383 120.012 118.700 -0.118 0.000 2.696 59 N HA -0.187 4.555 4.740 0.004 0.000 0.249 59 N C -0.382 175.086 175.510 -0.070 0.000 1.090 59 N CA 0.870 53.870 53.050 -0.083 0.000 0.716 59 N CB -1.288 37.179 38.487 -0.033 0.000 1.020 59 N HN 0.538 nan 8.380 nan 0.000 0.548 60 I N -2.264 118.252 120.570 -0.091 0.000 2.581 60 I HA 0.439 4.612 4.170 0.004 0.000 0.288 60 I C -1.990 174.104 176.117 -0.037 0.000 1.047 60 I CA -1.878 59.389 61.300 -0.054 0.000 1.374 60 I CB 0.663 38.634 38.000 -0.049 0.000 1.423 60 I HN -0.216 nan 8.210 nan 0.000 0.549 61 P HA 0.240 nan 4.420 nan 0.000 0.261 61 P C -0.939 176.397 177.300 0.061 0.000 1.203 61 P CA 0.643 63.750 63.100 0.012 0.000 0.767 61 P CB 0.166 31.866 31.700 -0.000 0.000 0.785 62 I N 3.669 124.304 120.570 0.109 0.000 2.571 62 I HA 0.198 4.371 4.170 0.004 0.000 0.289 62 I C -0.285 175.979 176.117 0.246 0.000 1.115 62 I CA -1.275 60.177 61.300 0.254 0.000 1.045 62 I CB 1.561 39.699 38.000 0.231 0.000 1.238 62 I HN 0.238 nan 8.210 nan 0.000 0.424 63 Y N 5.624 126.093 120.300 0.282 0.000 2.810 63 Y HA 0.203 4.755 4.550 0.004 0.000 0.332 63 Y C 1.429 177.318 175.900 -0.018 0.000 1.243 63 Y CA 1.493 59.650 58.100 0.095 0.000 1.537 63 Y CB 0.538 39.079 38.460 0.136 0.000 1.265 63 Y HN 0.860 nan 8.280 nan 0.000 0.572 64 G N 3.055 111.234 108.800 -1.035 0.000 2.228 64 G HA2 -0.322 3.640 3.960 0.004 0.000 0.270 64 G HA3 -0.322 3.640 3.960 0.004 0.000 0.270 64 G C 0.628 175.323 174.900 -0.342 0.000 0.976 64 G CA 0.816 45.306 45.100 -1.016 0.000 0.636 64 G HN 0.743 nan 8.290 nan 0.000 0.542 65 V N -0.007 119.834 119.914 -0.122 0.000 2.806 65 V HA 0.234 4.357 4.120 0.004 0.000 0.239 65 V C 2.027 178.181 176.094 0.100 0.000 1.113 65 V CA 2.366 64.742 62.300 0.126 0.000 1.137 65 V CB 0.577 32.569 31.823 0.281 0.000 0.865 65 V HN 0.911 nan 8.190 nan 0.000 0.482 66 T N -1.281 113.279 114.554 0.010 0.000 3.380 66 T HA 0.391 4.743 4.350 0.004 0.000 0.289 66 T C 0.105 174.772 174.700 -0.054 0.000 1.012 66 T CA 0.359 62.462 62.100 0.005 0.000 0.944 66 T CB 0.009 68.880 68.868 0.004 0.000 1.172 66 T HN 0.549 nan 8.240 nan 0.000 0.502 67 T N -2.447 112.012 114.554 -0.157 0.000 2.792 67 T HA 0.743 5.095 4.350 0.004 0.000 0.303 67 T C 0.358 174.827 174.700 -0.385 0.000 1.310 67 T CA -0.391 61.597 62.100 -0.186 0.000 1.007 67 T CB 1.264 70.078 68.868 -0.090 0.000 1.335 67 T HN 0.318 nan 8.240 nan 0.000 0.504 68 G N -0.361 108.258 108.800 -0.301 0.000 2.651 68 G HA2 0.514 4.477 3.960 0.004 0.000 0.260 68 G HA3 0.514 4.477 3.960 0.004 0.000 0.260 68 G C -1.184 173.477 174.900 -0.397 0.000 1.216 68 G CA -0.636 44.273 45.100 -0.317 0.000 0.913 68 G HN 0.648 nan 8.290 nan 0.000 0.535 69 Y N -0.257 120.014 120.300 -0.049 0.000 2.376 69 Y HA 0.491 5.043 4.550 0.004 0.000 0.325 69 Y C 1.318 177.303 175.900 0.142 0.000 1.199 69 Y CA 0.507 58.629 58.100 0.038 0.000 1.206 69 Y CB 1.394 39.813 38.460 -0.068 0.000 1.229 69 Y HN 1.126 nan 8.280 nan 0.000 0.480 70 G N 1.524 110.564 108.800 0.399 0.000 2.622 70 G HA2 -0.474 3.488 3.960 0.004 0.000 0.307 70 G HA3 -0.474 3.488 3.960 0.004 0.000 0.307 70 G C 1.137 176.126 174.900 0.149 0.000 1.226 70 G CA 0.932 46.156 45.100 0.206 0.000 0.997 70 G HN 0.705 nan 8.290 nan 0.000 0.551 71 E N 0.578 120.861 120.200 0.138 0.000 2.153 71 E HA 0.074 4.426 4.350 0.004 0.000 0.194 71 E C 2.514 179.212 176.600 0.163 0.000 0.988 71 E CA 1.774 58.278 56.400 0.173 0.000 0.811 71 E CB -0.272 29.539 29.700 0.185 0.000 0.746 71 E HN 0.517 nan 8.360 nan 0.000 0.466 72 M N 0.529 120.120 119.600 -0.015 0.000 2.726 72 M HA 0.105 4.588 4.480 0.004 0.000 0.211 72 M C 1.455 177.475 176.300 -0.468 0.000 1.190 72 M CA 0.187 55.208 55.300 -0.465 0.000 1.000 72 M CB -0.060 32.391 32.600 -0.248 0.000 1.790 72 M HN 0.205 nan 8.290 nan 0.000 0.467 73 I N 0.116 120.587 120.570 -0.164 0.000 2.830 73 I HA -0.242 3.930 4.170 0.004 0.000 0.263 73 I C 1.830 177.915 176.117 -0.053 0.000 1.230 73 I CA 1.021 62.306 61.300 -0.025 0.000 1.480 73 I CB 0.072 38.149 38.000 0.128 0.000 1.095 73 I HN 0.415 nan 8.210 nan 0.000 0.455 74 Y N -0.720 119.609 120.300 0.048 0.000 2.571 74 Y HA 0.155 4.708 4.550 0.004 0.000 0.294 74 Y C 0.924 176.838 175.900 0.024 0.000 1.141 74 Y CA -0.255 57.863 58.100 0.031 0.000 1.308 74 Y CB -0.788 37.688 38.460 0.027 0.000 1.002 74 Y HN -0.032 nan 8.280 nan 0.000 0.551 75 M N 2.978 122.392 119.600 -0.311 0.000 2.105 75 M HA 0.183 4.665 4.480 0.004 0.000 0.350 75 M C -0.662 175.586 176.300 -0.085 0.000 1.308 75 M CA -0.376 54.827 55.300 -0.162 0.000 1.108 75 M CB 0.868 33.307 32.600 -0.267 0.000 1.622 75 M HN 0.244 nan 8.290 nan 0.000 0.468 76 Q N 3.110 122.899 119.800 -0.019 0.000 2.274 76 Q HA 0.509 4.851 4.340 0.004 0.000 0.256 76 Q C -0.562 175.429 176.000 -0.016 0.000 0.927 76 Q CA -0.317 55.477 55.803 -0.014 0.000 0.939 76 Q CB 1.448 30.191 28.738 0.009 0.000 1.201 76 Q HN 0.447 nan 8.270 nan 0.000 0.426 77 V N 2.315 122.215 119.914 -0.023 0.000 2.459 77 V HA 0.203 4.325 4.120 0.004 0.000 0.295 77 V C 0.226 176.332 176.094 0.020 0.000 1.029 77 V CA -0.914 61.382 62.300 -0.007 0.000 0.874 77 V CB 2.054 33.865 31.823 -0.020 0.000 0.985 77 V HN 0.702 nan 8.190 nan 0.000 0.438 78 D N 3.479 123.896 120.400 0.029 0.000 2.345 78 D HA 0.072 4.715 4.640 0.004 0.000 0.247 78 D C 1.210 177.562 176.300 0.087 0.000 1.108 78 D CA -0.358 53.669 54.000 0.044 0.000 0.894 78 D CB 1.392 42.211 40.800 0.032 0.000 1.203 78 D HN 0.756 nan 8.370 nan 0.000 0.430 79 K N 0.879 121.359 120.400 0.132 0.000 2.286 79 K HA -0.190 4.132 4.320 0.004 0.000 0.203 79 K C 1.455 178.157 176.600 0.169 0.000 1.045 79 K CA 1.657 58.118 56.287 0.289 0.000 0.935 79 K CB -0.197 32.492 32.500 0.315 0.000 0.737 79 K HN 0.273 nan 8.250 nan 0.000 0.460 80 S N 0.385 116.134 115.700 0.082 0.000 2.500 80 S HA -0.016 4.456 4.470 0.004 0.000 0.239 80 S C 1.368 175.961 174.600 -0.011 0.000 0.989 80 S CA 0.489 58.705 58.200 0.027 0.000 0.951 80 S CB 0.006 63.218 63.200 0.021 0.000 0.759 80 S HN 0.264 nan 8.310 nan 0.000 0.523 81 K N 1.200 121.598 120.400 -0.003 0.000 2.361 81 K HA 0.202 4.524 4.320 0.004 0.000 0.194 81 K C 1.694 178.247 176.600 -0.078 0.000 1.032 81 K CA 0.576 56.847 56.287 -0.026 0.000 1.048 81 K CB -0.357 32.144 32.500 0.002 0.000 0.842 81 K HN 0.701 nan 8.250 nan 0.000 0.526 82 E N 1.160 121.271 120.200 -0.149 0.000 2.598 82 E HA -0.331 4.021 4.350 0.004 0.000 0.250 82 E C 1.495 177.941 176.600 -0.257 0.000 1.037 82 E CA 3.021 59.191 56.400 -0.383 0.000 1.274 82 E CB -0.337 28.760 29.700 -1.005 0.000 1.177 82 E HN 0.002 nan 8.360 nan 0.000 0.490 83 V N 0.759 120.539 119.914 -0.224 0.000 2.427 83 V HA -0.203 3.919 4.120 0.004 0.000 0.248 83 V C 2.500 178.545 176.094 -0.083 0.000 1.051 83 V CA 2.252 64.465 62.300 -0.144 0.000 1.048 83 V CB -0.693 31.055 31.823 -0.125 0.000 0.666 83 V HN 0.383 nan 8.190 nan 0.000 0.456 84 E N 0.007 120.169 120.200 -0.064 0.000 2.028 84 E HA -0.238 4.114 4.350 0.004 0.000 0.191 84 E C 2.226 178.822 176.600 -0.007 0.000 0.988 84 E CA 1.355 57.736 56.400 -0.033 0.000 0.799 84 E CB -0.129 29.557 29.700 -0.023 0.000 0.755 84 E HN 0.413 nan 8.360 nan 0.000 0.447 85 L N 1.465 122.696 121.223 0.014 0.000 1.997 85 L HA -0.290 4.052 4.340 0.004 0.000 0.216 85 L C 2.320 179.248 176.870 0.097 0.000 1.074 85 L CA 1.911 56.802 54.840 0.086 0.000 0.763 85 L CB -0.488 41.629 42.059 0.096 0.000 0.890 85 L HN 0.175 nan 8.230 nan 0.000 0.434 86 Q N -1.103 118.723 119.800 0.043 0.000 2.124 86 Q HA -0.143 4.199 4.340 0.004 0.000 0.202 86 Q C 2.140 178.102 176.000 -0.063 0.000 0.977 86 Q CA 2.143 57.944 55.803 -0.003 0.000 0.850 86 Q CB -0.769 27.959 28.738 -0.017 0.000 0.901 86 Q HN 0.591 nan 8.270 nan 0.000 0.429 87 T N 1.710 116.234 114.554 -0.051 0.000 2.812 87 T HA -0.047 4.305 4.350 0.004 0.000 0.264 87 T C 1.575 176.241 174.700 -0.056 0.000 1.042 87 T CA 1.020 63.085 62.100 -0.058 0.000 1.140 87 T CB -0.146 68.692 68.868 -0.050 0.000 0.870 87 T HN 0.217 nan 8.240 nan 0.000 0.445 88 N N 1.517 120.196 118.700 -0.035 0.000 2.149 88 N HA -0.059 4.684 4.740 0.004 0.000 0.188 88 N C 1.728 177.216 175.510 -0.036 0.000 1.019 88 N CA 0.636 53.673 53.050 -0.021 0.000 0.857 88 N CB -0.669 37.825 38.487 0.011 0.000 0.997 88 N HN 0.240 nan 8.380 nan 0.000 0.426 89 L N 0.785 121.939 121.223 -0.115 0.000 1.976 89 L HA -0.093 4.249 4.340 0.004 0.000 0.209 89 L C 1.970 178.745 176.870 -0.158 0.000 1.071 89 L CA 1.474 56.147 54.840 -0.277 0.000 0.746 89 L CB -0.804 40.834 42.059 -0.702 0.000 0.890 89 L HN -0.071 nan 8.230 nan 0.000 0.432 90 V N 0.299 120.117 119.914 -0.160 0.000 2.332 90 V HA -0.282 3.840 4.120 0.004 0.000 0.248 90 V C 2.795 178.845 176.094 -0.074 0.000 1.055 90 V CA 2.206 64.436 62.300 -0.116 0.000 1.038 90 V CB -0.785 30.974 31.823 -0.107 0.000 0.651 90 V HN 0.473 nan 8.190 nan 0.000 0.450 91 R N 0.689 121.151 120.500 -0.063 0.000 2.057 91 R HA -0.107 4.236 4.340 0.004 0.000 0.229 91 R C 2.627 178.900 176.300 -0.046 0.000 1.136 91 R CA 1.689 57.751 56.100 -0.063 0.000 0.952 91 R CB -0.731 29.538 30.300 -0.052 0.000 0.848 91 R HN 0.679 nan 8.270 nan 0.000 0.430 92 S N 0.247 115.939 115.700 -0.012 0.000 2.442 92 S HA -0.146 4.327 4.470 0.004 0.000 0.236 92 S C 1.284 175.794 174.600 -0.149 0.000 1.007 92 S CA 1.233 59.401 58.200 -0.054 0.000 0.965 92 S CB -0.293 62.885 63.200 -0.036 0.000 0.773 92 S HN 0.417 nan 8.310 nan 0.000 0.504 93 H N 0.622 119.629 119.070 -0.104 0.000 2.551 93 H HA 0.434 4.992 4.556 0.004 0.000 0.271 93 H C 0.233 175.521 175.328 -0.066 0.000 0.984 93 H CA 0.087 56.084 56.048 -0.084 0.000 1.164 93 H CB 0.267 29.961 29.762 -0.114 0.000 1.437 93 H HN 0.282 nan 8.280 nan 0.000 0.550 94 S N 1.142 116.809 115.700 -0.055 0.000 3.919 94 S HA 0.355 4.827 4.470 0.004 0.000 0.245 94 S C 0.815 175.406 174.600 -0.015 0.000 1.344 94 S CA 0.065 58.116 58.200 -0.247 0.000 0.896 94 S CB -0.149 62.721 63.200 -0.549 0.000 1.557 94 S HN 0.489 nan 8.310 nan 0.000 0.468 95 A N 1.860 124.772 122.820 0.153 0.000 2.631 95 A HA 0.570 4.892 4.320 0.004 0.000 0.294 95 A C 0.986 178.668 177.584 0.163 0.000 1.156 95 A CA -0.436 51.676 52.037 0.126 0.000 0.963 95 A CB 0.001 19.011 19.000 0.016 0.000 1.202 95 A HN 0.633 nan 8.150 nan 0.000 0.523 96 G N 0.054 109.044 108.800 0.316 0.000 2.491 96 G HA2 0.480 4.442 3.960 0.004 0.000 0.242 96 G HA3 0.480 4.442 3.960 0.004 0.000 0.242 96 G C 0.171 175.040 174.900 -0.053 0.000 1.266 96 G CA 0.627 45.741 45.100 0.023 0.000 0.844 96 G HN 1.197 nan 8.290 nan 0.000 0.571 97 V N -0.437 119.427 119.914 -0.084 0.000 3.156 97 V HA 1.033 5.155 4.120 0.004 0.000 0.310 97 V C 0.827 176.845 176.094 -0.126 0.000 1.234 97 V CA 0.116 62.364 62.300 -0.086 0.000 1.065 97 V CB 1.024 32.817 31.823 -0.051 0.000 1.088 97 V HN 2.522 nan 8.190 nan 0.000 0.451 98 G N 0.745 109.477 108.800 -0.114 0.000 2.681 98 G HA2 -0.022 3.940 3.960 0.004 0.000 0.220 98 G HA3 -0.022 3.940 3.960 0.004 0.000 0.220 98 G C -2.848 171.955 174.900 -0.162 0.000 1.353 98 G CA -0.215 44.807 45.100 -0.131 0.000 0.872 98 G HN 1.034 nan 8.290 nan 0.000 0.557 99 P HA 0.520 nan 4.420 nan 0.000 0.272 99 P C 0.199 177.347 177.300 -0.255 0.000 1.240 99 P CA -0.485 62.505 63.100 -0.183 0.000 0.791 99 P CB 0.374 31.976 31.700 -0.164 0.000 0.978 100 L N 1.092 122.200 121.223 -0.192 0.000 2.375 100 L HA 0.351 4.693 4.340 0.004 0.000 0.271 100 L C 0.528 177.309 176.870 -0.148 0.000 1.107 100 L CA -0.618 54.120 54.840 -0.170 0.000 0.806 100 L CB 0.116 42.128 42.059 -0.078 0.000 1.146 100 L HN 0.286 nan 8.230 nan 0.000 0.447 101 F N 1.042 120.970 119.950 -0.036 0.000 2.496 101 F HA 0.244 4.773 4.527 0.003 0.000 0.344 101 F C 1.077 176.870 175.800 -0.012 0.000 1.155 101 F CA -0.183 57.806 58.000 -0.020 0.000 1.302 101 F CB 0.784 39.776 39.000 -0.013 0.000 1.159 101 F HN 0.549 nan 8.300 nan 0.000 0.595 102 A N 2.294 125.250 122.820 0.225 0.000 2.366 102 A HA 0.074 4.397 4.320 0.004 0.000 0.250 102 A C 1.535 179.180 177.584 0.101 0.000 1.099 102 A CA -0.139 51.969 52.037 0.117 0.000 0.794 102 A CB 0.123 19.177 19.000 0.090 0.000 1.056 102 A HN 0.946 nan 8.150 nan 0.000 0.499 103 E N -0.129 120.108 120.200 0.062 0.000 2.049 103 E HA -0.299 4.054 4.350 0.004 0.000 0.198 103 E C 1.303 177.923 176.600 0.033 0.000 1.007 103 E CA 2.008 58.435 56.400 0.045 0.000 0.809 103 E CB -0.197 29.520 29.700 0.029 0.000 0.749 103 E HN 0.825 nan 8.360 nan 0.000 0.450 104 D N 0.225 120.642 120.400 0.027 0.000 2.144 104 D HA -0.215 4.428 4.640 0.004 0.000 0.199 104 D C 1.584 177.878 176.300 -0.009 0.000 0.984 104 D CA 1.450 55.457 54.000 0.012 0.000 0.834 104 D CB -0.653 40.154 40.800 0.013 0.000 0.955 104 D HN 0.402 nan 8.370 nan 0.000 0.465 105 E N 0.621 120.818 120.200 -0.005 0.000 2.077 105 E HA -0.067 4.285 4.350 0.004 0.000 0.193 105 E C 2.279 178.780 176.600 -0.166 0.000 0.989 105 E CA 1.227 57.571 56.400 -0.094 0.000 0.800 105 E CB -0.219 29.455 29.700 -0.044 0.000 0.746 105 E HN 0.410 nan 8.360 nan 0.000 0.452 106 A N 1.421 124.207 122.820 -0.056 0.000 1.933 106 A HA -0.180 4.142 4.320 0.004 0.000 0.218 106 A C 2.058 179.625 177.584 -0.028 0.000 1.175 106 A CA 1.247 53.264 52.037 -0.032 0.000 0.628 106 A CB -0.330 18.708 19.000 0.064 0.000 0.814 106 A HN 0.064 nan 8.150 nan 0.000 0.444 107 R N -0.644 119.848 120.500 -0.013 0.000 2.092 107 R HA -0.011 4.331 4.340 0.004 0.000 0.231 107 R C 2.481 178.767 176.300 -0.023 0.000 1.119 107 R CA 1.062 57.160 56.100 -0.002 0.000 0.970 107 R CB -0.406 29.898 30.300 0.007 0.000 0.864 107 R HN 0.506 nan 8.270 nan 0.000 0.440 108 A N 1.309 124.100 122.820 -0.049 0.000 1.902 108 A HA -0.141 4.182 4.320 0.004 0.000 0.217 108 A C 2.124 179.665 177.584 -0.072 0.000 1.181 108 A CA 1.200 53.203 52.037 -0.057 0.000 0.623 108 A CB -0.461 18.496 19.000 -0.073 0.000 0.818 108 A HN 0.168 nan 8.150 nan 0.000 0.443 109 I N -0.505 119.999 120.570 -0.110 0.000 2.179 109 I HA -0.208 3.965 4.170 0.004 0.000 0.242 109 I C 2.332 178.417 176.117 -0.052 0.000 1.088 109 I CA 1.178 62.413 61.300 -0.108 0.000 1.357 109 I CB -0.442 37.458 38.000 -0.167 0.000 1.051 109 I HN 0.142 nan 8.210 nan 0.000 0.409 110 V N 1.187 121.083 119.914 -0.029 0.000 2.407 110 V HA -0.293 3.830 4.120 0.004 0.000 0.248 110 V C 2.720 178.807 176.094 -0.011 0.000 1.055 110 V CA 1.990 64.287 62.300 -0.005 0.000 1.049 110 V CB -0.978 30.863 31.823 0.029 0.000 0.662 110 V HN 0.501 nan 8.190 nan 0.000 0.455 111 A N -0.134 122.678 122.820 -0.013 0.000 1.930 111 A HA -0.064 4.258 4.320 0.004 0.000 0.217 111 A C 2.398 179.972 177.584 -0.016 0.000 1.175 111 A CA 1.902 53.932 52.037 -0.012 0.000 0.627 111 A CB -0.629 18.365 19.000 -0.010 0.000 0.815 111 A HN 0.562 nan 8.150 nan 0.000 0.443 112 A N -0.534 122.272 122.820 -0.023 0.000 1.930 112 A HA -0.078 4.244 4.320 0.004 0.000 0.217 112 A C 2.176 179.750 177.584 -0.016 0.000 1.175 112 A CA 1.863 53.888 52.037 -0.020 0.000 0.627 112 A CB -0.359 18.623 19.000 -0.029 0.000 0.815 112 A HN 0.410 nan 8.150 nan 0.000 0.443 113 R N -0.629 119.859 120.500 -0.019 0.000 2.090 113 R HA -0.018 4.324 4.340 0.004 0.000 0.228 113 R C 1.883 178.169 176.300 -0.023 0.000 1.110 113 R CA 1.291 57.380 56.100 -0.018 0.000 0.973 113 R CB -0.737 29.550 30.300 -0.021 0.000 0.869 113 R HN 0.448 nan 8.270 nan 0.000 0.440 114 L N 0.627 121.835 121.223 -0.026 0.000 2.056 114 L HA -0.068 4.275 4.340 0.004 0.000 0.207 114 L C 1.661 178.517 176.870 -0.023 0.000 1.078 114 L CA 2.002 56.824 54.840 -0.030 0.000 0.749 114 L CB -0.963 41.080 42.059 -0.028 0.000 0.901 114 L HN 0.211 nan 8.230 nan 0.000 0.433 115 N N -1.305 117.386 118.700 -0.015 0.000 2.120 115 N HA -0.177 4.566 4.740 0.004 0.000 0.188 115 N C 1.676 177.183 175.510 -0.005 0.000 1.024 115 N CA 1.855 54.899 53.050 -0.009 0.000 0.852 115 N CB -0.202 38.282 38.487 -0.005 0.000 1.003 115 N HN 0.431 nan 8.380 nan 0.000 0.424 116 T N 0.676 115.228 114.554 -0.004 0.000 2.652 116 T HA -0.085 4.267 4.350 0.004 0.000 0.267 116 T C 1.841 176.541 174.700 -0.001 0.000 1.039 116 T CA 1.152 63.255 62.100 0.006 0.000 1.153 116 T CB -0.332 68.541 68.868 0.008 0.000 0.863 116 T HN 0.184 nan 8.240 nan 0.000 0.428 117 L N 0.771 121.983 121.223 -0.019 0.000 2.141 117 L HA 0.015 4.358 4.340 0.004 0.000 0.209 117 L C 2.912 179.753 176.870 -0.048 0.000 1.094 117 L CA 0.891 55.708 54.840 -0.038 0.000 0.763 117 L CB -0.643 41.386 42.059 -0.050 0.000 0.908 117 L HN 0.227 nan 8.230 nan 0.000 0.437 118 A N -0.245 122.552 122.820 -0.038 0.000 2.172 118 A HA -0.190 4.133 4.320 0.004 0.000 0.216 118 A C 2.322 179.879 177.584 -0.046 0.000 1.154 118 A CA 1.174 53.186 52.037 -0.042 0.000 0.701 118 A CB -0.390 18.593 19.000 -0.029 0.000 0.789 118 A HN 0.304 nan 8.150 nan 0.000 0.465 119 K N -1.268 119.111 120.400 -0.034 0.000 2.288 119 K HA 0.057 4.379 4.320 0.004 0.000 0.201 119 K C 1.221 177.722 176.600 -0.165 0.000 1.048 119 K CA 0.861 57.131 56.287 -0.029 0.000 0.956 119 K CB -0.203 32.339 32.500 0.070 0.000 0.746 119 K HN 0.669 nan 8.250 nan 0.000 0.461 120 G N 0.238 108.926 108.800 -0.186 0.000 2.175 120 G HA2 -0.237 3.725 3.960 0.004 0.000 0.244 120 G HA3 -0.237 3.725 3.960 0.004 0.000 0.244 120 G C 0.158 174.823 174.900 -0.391 0.000 0.982 120 G CA 0.531 45.456 45.100 -0.292 0.000 0.641 120 G HN 0.552 nan 8.290 nan 0.000 0.527 121 H N -0.040 118.965 119.070 -0.110 0.000 2.594 121 H HA 0.445 5.004 4.556 0.004 0.000 0.279 121 H C 2.133 177.356 175.328 -0.173 0.000 1.042 121 H CA 0.745 56.673 56.048 -0.200 0.000 1.177 121 H CB 0.832 30.341 29.762 -0.422 0.000 1.524 121 H HN 0.316 nan 8.280 nan 0.000 0.537 122 S N 0.423 116.077 115.700 -0.076 0.000 2.528 122 S HA 0.220 4.692 4.470 0.004 0.000 0.219 122 S C 1.469 175.920 174.600 -0.250 0.000 0.985 122 S CA 0.511 58.639 58.200 -0.120 0.000 0.914 122 S CB 0.241 63.388 63.200 -0.089 0.000 0.776 122 S HN 0.624 nan 8.310 nan 0.000 0.526 123 A N 0.730 123.377 122.820 -0.288 0.000 2.869 123 A HA -0.131 4.191 4.320 0.004 0.000 0.280 123 A C 0.263 177.656 177.584 -0.318 0.000 1.458 123 A CA 0.386 52.162 52.037 -0.436 0.000 0.776 123 A CB -2.334 16.141 19.000 -0.876 0.000 1.028 123 A HN 0.297 nan 8.150 nan 0.000 0.547 124 V N -0.195 119.602 119.914 -0.195 0.000 2.713 124 V HA 0.505 4.627 4.120 0.004 0.000 0.307 124 V C 1.146 177.190 176.094 -0.083 0.000 1.052 124 V CA -0.833 61.396 62.300 -0.118 0.000 0.967 124 V CB 1.611 33.373 31.823 -0.102 0.000 1.019 124 V HN 0.615 nan 8.190 nan 0.000 0.459 125 R N 3.291 123.762 120.500 -0.048 0.000 2.643 125 R HA 0.178 4.520 4.340 0.004 0.000 0.270 125 R C -1.712 174.557 176.300 -0.051 0.000 1.061 125 R CA -1.048 55.029 56.100 -0.039 0.000 1.107 125 R CB 0.154 30.442 30.300 -0.021 0.000 0.999 125 R HN 0.459 nan 8.270 nan 0.000 0.460 126 P HA -0.190 nan 4.420 nan 0.000 0.216 126 P C 0.934 178.205 177.300 -0.049 0.000 1.150 126 P CA 1.166 64.237 63.100 -0.048 0.000 0.843 126 P CB -0.075 31.601 31.700 -0.040 0.000 0.787 127 I N -4.126 116.416 120.570 -0.045 0.000 2.423 127 I HA -0.190 3.982 4.170 0.004 0.000 0.254 127 I C 1.848 177.922 176.117 -0.071 0.000 1.151 127 I CA 1.692 62.962 61.300 -0.050 0.000 1.421 127 I CB -1.323 36.652 38.000 -0.042 0.000 1.079 127 I HN -0.144 nan 8.210 nan 0.000 0.431 128 I N 0.641 121.165 120.570 -0.076 0.000 2.179 128 I HA -0.207 3.965 4.170 0.004 0.000 0.242 128 I C 2.443 178.497 176.117 -0.104 0.000 1.088 128 I CA 1.528 62.769 61.300 -0.098 0.000 1.357 128 I CB -1.088 36.860 38.000 -0.087 0.000 1.051 128 I HN 0.312 nan 8.210 nan 0.000 0.409 129 L N 0.700 121.875 121.223 -0.081 0.000 2.017 129 L HA -0.183 4.159 4.340 0.004 0.000 0.208 129 L C 2.520 179.350 176.870 -0.067 0.000 1.073 129 L CA 1.650 56.448 54.840 -0.070 0.000 0.745 129 L CB -1.031 40.993 42.059 -0.057 0.000 0.894 129 L HN 0.291 nan 8.230 nan 0.000 0.432 130 E N -0.746 119.419 120.200 -0.060 0.000 2.085 130 E HA -0.272 4.081 4.350 0.004 0.000 0.194 130 E C 2.318 178.882 176.600 -0.059 0.000 0.994 130 E CA 1.047 57.419 56.400 -0.046 0.000 0.801 130 E CB -0.216 29.463 29.700 -0.036 0.000 0.743 130 E HN 0.193 nan 8.360 nan 0.000 0.453 131 R N 1.297 121.735 120.500 -0.103 0.000 2.092 131 R HA -0.049 4.293 4.340 0.004 0.000 0.231 131 R C 2.127 178.259 176.300 -0.281 0.000 1.119 131 R CA 1.001 56.996 56.100 -0.175 0.000 0.970 131 R CB -0.508 29.650 30.300 -0.237 0.000 0.864 131 R HN 0.177 nan 8.270 nan 0.000 0.440 132 L N -0.526 120.558 121.223 -0.232 0.000 2.056 132 L HA -0.045 4.297 4.340 0.004 0.000 0.207 132 L C 2.352 179.191 176.870 -0.052 0.000 1.078 132 L CA 1.365 56.092 54.840 -0.189 0.000 0.749 132 L CB -0.560 41.424 42.059 -0.126 0.000 0.901 132 L HN 0.282 nan 8.230 nan 0.000 0.433 133 A N -0.793 122.006 122.820 -0.034 0.000 1.972 133 A HA -0.261 4.061 4.320 0.004 0.000 0.219 133 A C 2.232 179.841 177.584 0.042 0.000 1.169 133 A CA 1.657 53.697 52.037 0.004 0.000 0.635 133 A CB -0.466 18.530 19.000 -0.006 0.000 0.810 133 A HN 0.503 nan 8.150 nan 0.000 0.446 134 Q N -1.744 118.088 119.800 0.054 0.000 2.046 134 Q HA -0.195 4.148 4.340 0.004 0.000 0.200 134 Q C 1.786 177.915 176.000 0.214 0.000 0.975 134 Q CA 1.565 57.436 55.803 0.113 0.000 0.836 134 Q CB -0.270 28.540 28.738 0.120 0.000 0.896 134 Q HN 0.669 nan 8.270 nan 0.000 0.428 135 Y N 0.773 121.071 120.300 -0.004 0.000 2.165 135 Y HA -0.235 4.317 4.550 0.004 0.000 0.286 135 Y C 2.097 177.998 175.900 0.000 0.000 1.155 135 Y CA 1.000 59.099 58.100 -0.001 0.000 1.164 135 Y CB -0.541 37.919 38.460 0.000 0.000 0.978 135 Y HN 0.158 nan 8.280 nan 0.000 0.513 136 L N -0.424 120.899 121.223 0.167 0.000 2.027 136 L HA -0.258 4.084 4.340 0.004 0.000 0.206 136 L C 1.910 178.813 176.870 0.056 0.000 1.074 136 L CA 1.755 56.647 54.840 0.085 0.000 0.745 136 L CB -0.577 41.516 42.059 0.057 0.000 0.898 136 L HN 0.266 nan 8.230 nan 0.000 0.433 137 N N -0.685 118.049 118.700 0.055 0.000 2.270 137 N HA -0.147 4.596 4.740 0.004 0.000 0.181 137 N C 1.203 176.730 175.510 0.029 0.000 1.016 137 N CA 0.624 53.696 53.050 0.036 0.000 0.870 137 N CB 0.140 38.646 38.487 0.032 0.000 0.979 137 N HN 0.359 nan 8.380 nan 0.000 0.431 138 E N -0.135 120.087 120.200 0.036 0.000 2.479 138 E HA 0.095 4.447 4.350 0.004 0.000 0.193 138 E C 0.477 177.070 176.600 -0.011 0.000 1.049 138 E CA -0.213 56.194 56.400 0.011 0.000 0.870 138 E CB 0.486 30.193 29.700 0.011 0.000 0.944 138 E HN 0.373 nan 8.360 nan 0.000 0.492 139 G N 2.089 110.887 108.800 -0.002 0.000 2.198 139 G HA2 -0.278 3.684 3.960 0.004 0.000 0.257 139 G HA3 -0.278 3.684 3.960 0.004 0.000 0.257 139 G C 0.113 174.985 174.900 -0.047 0.000 1.042 139 G CA -0.062 45.029 45.100 -0.014 0.000 0.791 139 G HN 0.253 nan 8.290 nan 0.000 0.502 140 I N 1.885 122.405 120.570 -0.084 0.000 2.287 140 I HA 0.275 4.447 4.170 0.004 0.000 0.290 140 I C 0.261 176.317 176.117 -0.102 0.000 1.069 140 I CA -0.253 60.929 61.300 -0.197 0.000 1.237 140 I CB 1.117 38.795 38.000 -0.536 0.000 1.418 140 I HN 0.013 nan 8.210 nan 0.000 0.481 141 T N 7.346 121.873 114.554 -0.045 0.000 2.743 141 T HA 0.326 4.679 4.350 0.004 0.000 0.292 141 T C -2.391 172.337 174.700 0.047 0.000 0.972 141 T CA -1.471 60.642 62.100 0.022 0.000 0.967 141 T CB 1.217 70.102 68.868 0.027 0.000 0.926 141 T HN 0.217 nan 8.240 nan 0.000 0.459 142 P HA 0.275 nan 4.420 nan 0.000 0.269 142 P C -0.929 176.448 177.300 0.129 0.000 1.209 142 P CA -0.421 62.757 63.100 0.130 0.000 0.776 142 P CB 0.423 32.222 31.700 0.165 0.000 0.876 143 A N 4.048 126.959 122.820 0.152 0.000 2.310 143 A HA 0.437 4.759 4.320 0.004 0.000 0.300 143 A C -0.109 177.548 177.584 0.121 0.000 1.269 143 A CA -0.347 51.764 52.037 0.123 0.000 0.909 143 A CB -0.726 18.351 19.000 0.128 0.000 1.144 143 A HN 0.453 nan 8.150 nan 0.000 0.540 144 I N 5.395 126.030 120.570 0.109 0.000 2.382 144 I HA 0.295 4.468 4.170 0.004 0.000 0.285 144 I C -2.233 173.862 176.117 -0.035 0.000 1.007 144 I CA -2.292 59.066 61.300 0.096 0.000 1.142 144 I CB 2.131 40.307 38.000 0.294 0.000 1.289 144 I HN 0.435 nan 8.210 nan 0.000 0.453 145 P HA 0.105 nan 4.420 nan 0.000 0.271 145 P C 0.043 177.135 177.300 -0.346 0.000 1.216 145 P CA -0.020 62.887 63.100 -0.321 0.000 0.776 145 P CB 1.102 32.584 31.700 -0.364 0.000 0.881 146 E N 1.372 121.231 120.200 -0.568 0.000 2.208 146 E HA -0.026 4.326 4.350 0.004 0.000 0.193 146 E C 0.587 177.036 176.600 -0.251 0.000 0.988 146 E CA 0.706 56.663 56.400 -0.739 0.000 0.828 146 E CB -0.002 29.172 29.700 -0.876 0.000 0.763 146 E HN 0.493 nan 8.360 nan 0.000 0.478 147 I N -0.602 119.862 120.570 -0.177 0.000 2.460 147 I HA 0.311 4.484 4.170 0.004 0.000 0.298 147 I C 0.964 177.057 176.117 -0.040 0.000 0.989 147 I CA -0.042 61.209 61.300 -0.082 0.000 1.173 147 I CB 1.937 39.889 38.000 -0.080 0.000 1.338 147 I HN 0.116 nan 8.210 nan 0.000 0.456 148 G N 3.111 111.907 108.800 -0.005 0.000 3.211 148 G HA2 -0.195 3.767 3.960 0.004 0.000 0.202 148 G HA3 -0.195 3.767 3.960 0.004 0.000 0.202 148 G C 0.323 175.241 174.900 0.029 0.000 1.035 148 G CA -0.012 45.097 45.100 0.016 0.000 0.846 148 G HN 0.594 nan 8.290 nan 0.000 0.464 149 S N 0.643 116.367 115.700 0.039 0.000 2.549 149 S HA 0.508 4.981 4.470 0.004 0.000 0.283 149 S C 1.301 175.909 174.600 0.015 0.000 1.320 149 S CA -0.181 58.040 58.200 0.035 0.000 1.058 149 S CB 0.590 63.822 63.200 0.053 0.000 0.882 149 S HN 0.370 nan 8.310 nan 0.000 0.498 150 L N 4.528 125.749 121.223 -0.002 0.000 2.693 150 L HA 0.338 4.680 4.340 0.004 0.000 0.235 150 L C 1.386 178.226 176.870 -0.050 0.000 1.127 150 L CA 0.189 55.019 54.840 -0.018 0.000 0.914 150 L CB -0.884 41.164 42.059 -0.019 0.000 1.193 150 L HN 1.059 nan 8.230 nan 0.000 0.502 156 L N 0.599 121.828 121.223 0.009 0.000 1.956 156 L HA -0.226 4.117 4.340 0.004 0.000 0.216 156 L C 2.693 179.605 176.870 0.071 0.000 1.073 156 L CA 2.286 57.134 54.840 0.013 0.000 0.762 156 L CB -0.465 41.609 42.059 0.025 0.000 0.889 156 L HN 0.233 nan 8.230 nan 0.000 0.433 157 A N 0.214 123.098 122.820 0.108 0.000 1.873 157 A HA -0.159 4.163 4.320 0.004 0.000 0.218 157 A C 0.063 177.797 177.584 0.251 0.000 1.193 157 A CA 2.162 54.302 52.037 0.171 0.000 0.629 157 A CB -1.974 17.110 19.000 0.140 0.000 0.826 157 A HN 0.315 nan 8.150 nan 0.000 0.447 158 P HA -0.125 nan 4.420 nan 0.000 0.215 158 P C 1.382 178.790 177.300 0.180 0.000 1.153 158 P CA 0.942 64.155 63.100 0.189 0.000 0.853 158 P CB -0.154 31.656 31.700 0.183 0.000 0.788 159 L N -1.443 119.848 121.223 0.113 0.000 2.291 159 L HA -0.074 4.268 4.340 0.004 0.000 0.214 159 L C 2.279 179.185 176.870 0.061 0.000 1.120 159 L CA 1.080 55.960 54.840 0.068 0.000 0.799 159 L CB -0.790 41.284 42.059 0.024 0.000 0.925 159 L HN -0.010 nan 8.230 nan 0.000 0.446 160 S N -1.145 114.600 115.700 0.075 0.000 2.383 160 S HA -0.165 4.307 4.470 0.004 0.000 0.227 160 S C 1.812 176.409 174.600 -0.004 0.000 1.026 160 S CA 0.969 59.175 58.200 0.011 0.000 0.981 160 S CB -0.222 62.983 63.200 0.009 0.000 0.818 160 S HN 0.487 nan 8.310 nan 0.000 0.472 161 H N 0.277 119.379 119.070 0.054 0.000 2.423 161 H HA 0.049 4.608 4.556 0.004 0.000 0.297 161 H C 2.004 177.379 175.328 0.077 0.000 1.075 161 H CA 1.233 57.327 56.048 0.076 0.000 1.342 161 H CB -0.200 29.621 29.762 0.098 0.000 1.395 161 H HN 0.132 nan 8.280 nan 0.000 0.530 162 V N 0.324 120.341 119.914 0.172 0.000 2.270 162 V HA -0.232 3.891 4.120 0.004 0.000 0.245 162 V C 2.551 178.687 176.094 0.070 0.000 1.043 162 V CA 1.629 64.002 62.300 0.122 0.000 1.014 162 V CB -0.957 30.916 31.823 0.084 0.000 0.645 162 V HN 0.575 nan 8.190 nan 0.000 0.447 163 A N -0.469 122.365 122.820 0.022 0.000 1.940 163 A HA -0.235 4.088 4.320 0.004 0.000 0.219 163 A C 2.472 180.045 177.584 -0.019 0.000 1.176 163 A CA 2.294 54.318 52.037 -0.022 0.000 0.631 163 A CB -0.726 18.245 19.000 -0.049 0.000 0.814 163 A HN 0.510 nan 8.150 nan 0.000 0.446 164 S N -0.328 115.363 115.700 -0.015 0.000 2.359 164 S HA -0.192 4.280 4.470 0.004 0.000 0.224 164 S C 2.279 176.888 174.600 0.015 0.000 1.035 164 S CA 2.104 60.287 58.200 -0.028 0.000 1.018 164 S CB -0.767 62.395 63.200 -0.063 0.000 0.876 164 S HN 0.932 nan 8.310 nan 0.000 0.448 165 T N 0.962 115.565 114.554 0.081 0.000 2.881 165 T HA 0.028 4.380 4.350 0.004 0.000 0.270 165 T C 1.663 176.505 174.700 0.237 0.000 1.068 165 T CA 0.870 63.068 62.100 0.163 0.000 1.131 165 T CB -0.585 68.439 68.868 0.260 0.000 0.871 165 T HN 0.292 nan 8.240 nan 0.000 0.479 166 L N 0.824 122.111 121.223 0.106 0.000 2.201 166 L HA 0.215 4.557 4.340 0.004 0.000 0.212 166 L C 2.254 179.130 176.870 0.010 0.000 1.105 166 L CA 1.101 55.925 54.840 -0.026 0.000 0.775 166 L CB -0.415 41.546 42.059 -0.162 0.000 0.913 166 L HN 0.503 nan 8.230 nan 0.000 0.440 167 I N -3.406 117.167 120.570 0.004 0.000 3.884 167 I HA 0.389 4.561 4.170 0.004 0.000 0.330 167 I C 1.084 177.197 176.117 -0.006 0.000 1.451 167 I CA 0.215 61.508 61.300 -0.013 0.000 1.165 167 I CB -0.319 37.659 38.000 -0.036 0.000 1.097 167 I HN 0.159 nan 8.210 nan 0.000 0.404 168 G N 1.083 109.896 108.800 0.022 0.000 2.179 168 G HA2 -0.276 3.687 3.960 0.004 0.000 0.257 168 G HA3 -0.276 3.687 3.960 0.004 0.000 0.257 168 G C -0.110 174.762 174.900 -0.047 0.000 1.010 168 G CA 0.594 45.693 45.100 -0.002 0.000 0.736 168 G HN 0.671 nan 8.290 nan 0.000 0.513 169 E N -1.539 118.629 120.200 -0.054 0.000 2.412 169 E HA 0.655 5.007 4.350 0.004 0.000 0.255 169 E C 1.030 177.550 176.600 -0.132 0.000 0.933 169 E CA -0.303 56.031 56.400 -0.109 0.000 0.823 169 E CB 1.409 31.053 29.700 -0.092 0.000 1.352 169 E HN 1.314 nan 8.360 nan 0.000 0.406 170 G N -0.500 108.178 108.800 -0.205 0.000 2.569 170 G HA2 -0.276 3.686 3.960 0.004 0.000 0.259 170 G HA3 -0.276 3.686 3.960 0.004 0.000 0.259 170 G C -1.170 173.510 174.900 -0.368 0.000 1.263 170 G CA 0.147 45.155 45.100 -0.153 0.000 0.928 170 G HN 0.365 nan 8.290 nan 0.000 0.572 171 Y N -1.419 118.925 120.300 0.074 0.000 2.609 171 Y HA 0.638 5.190 4.550 0.004 0.000 0.342 171 Y C 0.592 176.524 175.900 0.052 0.000 1.058 171 Y CA -0.408 57.725 58.100 0.054 0.000 1.055 171 Y CB 2.132 40.624 38.460 0.055 0.000 1.292 171 Y HN 1.038 nan 8.280 nan 0.000 0.476 172 V N -0.357 119.672 119.914 0.192 0.000 2.914 172 V HA 0.633 4.755 4.120 0.004 0.000 0.314 172 V C -0.868 175.277 176.094 0.086 0.000 1.084 172 V CA -1.252 61.105 62.300 0.095 0.000 0.963 172 V CB 1.887 33.713 31.823 0.003 0.000 1.025 172 V HN 0.688 nan 8.190 nan 0.000 0.432 173 L N 3.301 124.557 121.223 0.056 0.000 2.349 173 L HA 0.633 4.975 4.340 0.004 0.000 0.275 173 L C 0.323 177.204 176.870 0.019 0.000 1.115 173 L CA -0.173 54.690 54.840 0.039 0.000 0.820 173 L CB 1.136 43.218 42.059 0.039 0.000 1.135 173 L HN 0.863 nan 8.230 nan 0.000 0.445 174 R N 3.980 124.490 120.500 0.017 0.000 2.569 174 R HA 0.138 4.481 4.340 0.004 0.000 0.293 174 R C -1.156 175.147 176.300 0.005 0.000 1.186 174 R CA -0.441 55.663 56.100 0.007 0.000 0.956 174 R CB 0.705 31.009 30.300 0.007 0.000 1.196 174 R HN 0.715 nan 8.270 nan 0.000 0.444 175 D N 3.625 124.026 120.400 0.003 0.000 2.723 175 D HA -0.184 4.458 4.640 0.004 0.000 0.236 175 D C 0.725 177.026 176.300 0.000 0.000 1.138 175 D CA 1.882 55.883 54.000 0.001 0.000 0.676 175 D CB -0.954 39.845 40.800 -0.001 0.000 1.069 175 D HN 1.104 nan 8.370 nan 0.000 0.430 176 G N -0.474 108.328 108.800 0.003 0.000 2.205 176 G HA2 -0.374 3.588 3.960 0.004 0.000 0.261 176 G HA3 -0.374 3.588 3.960 0.004 0.000 0.261 176 G C 0.399 175.293 174.900 -0.009 0.000 0.980 176 G CA 0.706 45.805 45.100 -0.001 0.000 0.632 176 G HN 0.549 nan 8.290 nan 0.000 0.533 177 R N 0.883 121.379 120.500 -0.007 0.000 2.778 177 R HA 0.573 4.915 4.340 0.004 0.000 0.277 177 R C -2.653 173.645 176.300 -0.004 0.000 0.977 177 R CA -1.915 54.175 56.100 -0.016 0.000 0.950 177 R CB 2.187 32.478 30.300 -0.014 0.000 1.165 177 R HN 0.119 nan 8.270 nan 0.000 0.474 178 P HA 0.179 nan 4.420 nan 0.000 0.285 178 P C -0.872 176.490 177.300 0.104 0.000 1.259 178 P CA -0.288 62.816 63.100 0.007 0.000 0.794 178 P CB 1.366 32.957 31.700 -0.182 0.000 0.940 179 V N 2.805 122.851 119.914 0.220 0.000 2.709 179 V HA 0.197 4.319 4.120 0.004 0.000 0.308 179 V C 0.382 176.619 176.094 0.237 0.000 1.062 179 V CA -0.898 61.531 62.300 0.215 0.000 0.901 179 V CB 1.844 33.720 31.823 0.089 0.000 1.003 179 V HN 0.506 nan 8.190 nan 0.000 0.425 180 E N 1.892 122.176 120.200 0.140 0.000 2.652 180 E HA -0.035 4.317 4.350 0.004 0.000 0.255 180 E C 0.749 177.288 176.600 -0.102 0.000 0.952 180 E CA 0.295 56.605 56.400 -0.149 0.000 0.947 180 E CB 0.663 30.279 29.700 -0.140 0.000 0.912 180 E HN 0.743 nan 8.360 nan 0.000 0.489 181 T N 2.967 117.432 114.554 -0.149 0.000 2.720 181 T HA -0.233 4.119 4.350 0.004 0.000 0.268 181 T C 1.853 176.511 174.700 -0.069 0.000 1.037 181 T CA 1.380 63.432 62.100 -0.081 0.000 1.144 181 T CB -0.068 68.765 68.868 -0.059 0.000 0.864 181 T HN 0.639 nan 8.240 nan 0.000 0.444 182 A N 1.229 123.999 122.820 -0.083 0.000 1.917 182 A HA -0.265 4.057 4.320 0.004 0.000 0.219 182 A C 2.280 179.838 177.584 -0.044 0.000 1.182 182 A CA 2.164 54.166 52.037 -0.058 0.000 0.633 182 A CB -0.817 18.143 19.000 -0.066 0.000 0.819 182 A HN 0.576 nan 8.150 nan 0.000 0.448 183 Q N -0.466 119.307 119.800 -0.045 0.000 1.990 183 Q HA -0.131 4.211 4.340 0.004 0.000 0.200 183 Q C 2.088 178.069 176.000 -0.031 0.000 0.980 183 Q CA 2.112 57.897 55.803 -0.030 0.000 0.832 183 Q CB -0.248 28.477 28.738 -0.020 0.000 0.897 183 Q HN 0.424 nan 8.270 nan 0.000 0.427 184 V N 1.466 121.357 119.914 -0.038 0.000 2.380 184 V HA -0.309 3.814 4.120 0.004 0.000 0.251 184 V C 2.384 178.442 176.094 -0.059 0.000 1.063 184 V CA 1.623 63.894 62.300 -0.049 0.000 1.055 184 V CB -0.605 31.179 31.823 -0.065 0.000 0.657 184 V HN 0.391 nan 8.190 nan 0.000 0.455 185 L N -0.121 121.068 121.223 -0.056 0.000 2.027 185 L HA -0.115 4.227 4.340 0.004 0.000 0.206 185 L C 2.774 179.630 176.870 -0.024 0.000 1.074 185 L CA 1.511 56.326 54.840 -0.042 0.000 0.745 185 L CB -0.835 41.215 42.059 -0.015 0.000 0.898 185 L HN 0.365 nan 8.230 nan 0.000 0.433 186 A N 0.083 122.890 122.820 -0.022 0.000 1.940 186 A HA -0.214 4.109 4.320 0.004 0.000 0.219 186 A C 1.955 179.529 177.584 -0.017 0.000 1.176 186 A CA 1.581 53.608 52.037 -0.016 0.000 0.631 186 A CB -0.440 18.549 19.000 -0.017 0.000 0.814 186 A HN 0.507 nan 8.150 nan 0.000 0.446 187 E N -1.071 119.116 120.200 -0.021 0.000 2.502 187 E HA 0.005 4.357 4.350 0.004 0.000 0.194 187 E C 1.287 177.874 176.600 -0.022 0.000 1.062 187 E CA -0.045 56.343 56.400 -0.020 0.000 0.867 187 E CB 0.118 29.806 29.700 -0.021 0.000 0.888 187 E HN 0.337 nan 8.360 nan 0.000 0.510 188 R N -0.729 119.757 120.500 -0.024 0.000 2.373 188 R HA 0.105 4.448 4.340 0.004 0.000 0.221 188 R C 1.149 177.443 176.300 -0.010 0.000 0.893 188 R CA 0.673 56.759 56.100 -0.023 0.000 1.049 188 R CB 1.046 31.323 30.300 -0.038 0.000 1.119 188 R HN 0.265 nan 8.270 nan 0.000 0.535 189 G N 1.870 110.666 108.800 -0.007 0.000 2.148 189 G HA2 -0.255 3.708 3.960 0.004 0.000 0.254 189 G HA3 -0.255 3.708 3.960 0.004 0.000 0.254 189 G C 0.182 175.087 174.900 0.007 0.000 0.981 189 G CA 0.145 45.245 45.100 -0.001 0.000 0.670 189 G HN 0.246 nan 8.290 nan 0.000 0.528 190 I N 0.926 121.503 120.570 0.012 0.000 2.331 190 I HA 0.300 4.472 4.170 0.004 0.000 0.292 190 I C 0.587 176.722 176.117 0.030 0.000 0.998 190 I CA -0.510 60.810 61.300 0.032 0.000 1.267 190 I CB 1.497 39.533 38.000 0.060 0.000 1.386 190 I HN 0.191 nan 8.210 nan 0.000 0.476 191 E N 9.113 129.329 120.200 0.027 0.000 2.194 191 E HA 0.294 4.646 4.350 0.004 0.000 0.284 191 E C -2.125 174.491 176.600 0.026 0.000 1.035 191 E CA -1.852 54.559 56.400 0.017 0.000 0.836 191 E CB 0.982 30.686 29.700 0.007 0.000 1.070 191 E HN 0.314 nan 8.360 nan 0.000 0.401 192 P HA -0.058 nan 4.420 nan 0.000 0.270 192 P C -0.348 176.954 177.300 0.003 0.000 1.221 192 P CA 0.238 63.355 63.100 0.028 0.000 0.788 192 P CB 0.781 32.489 31.700 0.014 0.000 0.904 193 L N 0.253 121.470 121.223 -0.011 0.000 2.416 193 L HA 0.383 4.725 4.340 0.004 0.000 0.262 193 L C 0.969 177.816 176.870 -0.037 0.000 1.093 193 L CA -0.554 54.267 54.840 -0.031 0.000 0.801 193 L CB 0.572 42.600 42.059 -0.053 0.000 1.191 193 L HN 0.433 nan 8.230 nan 0.000 0.459 194 E N 1.648 121.822 120.200 -0.044 0.000 2.145 194 E HA 0.350 4.702 4.350 0.004 0.000 0.262 194 E C -1.167 175.397 176.600 -0.060 0.000 0.883 194 E CA -0.640 55.729 56.400 -0.051 0.000 0.748 194 E CB 1.206 30.876 29.700 -0.050 0.000 1.140 194 E HN 0.420 nan 8.360 nan 0.000 0.417 195 L N 4.318 125.503 121.223 -0.064 0.000 2.490 195 L HA 0.236 4.579 4.340 0.004 0.000 0.274 195 L C 0.912 177.732 176.870 -0.085 0.000 1.201 195 L CA 0.379 55.179 54.840 -0.066 0.000 0.869 195 L CB 0.247 42.268 42.059 -0.063 0.000 1.123 195 L HN 0.469 nan 8.230 nan 0.000 0.484 196 R N 1.591 122.049 120.500 -0.071 0.000 2.943 196 R HA 0.457 4.799 4.340 0.004 0.000 0.246 196 R C -0.834 175.456 176.300 -0.017 0.000 1.201 196 R CA -1.227 54.802 56.100 -0.118 0.000 1.056 196 R CB 0.845 31.100 30.300 -0.075 0.000 1.243 196 R HN 0.163 nan 8.270 nan 0.000 0.498 197 F N 2.594 122.587 119.950 0.072 0.000 2.322 197 F HA -0.269 4.260 4.527 0.004 0.000 0.429 197 F C 1.677 177.568 175.800 0.152 0.000 0.916 197 F CA 1.312 59.400 58.000 0.147 0.000 1.090 197 F CB -0.213 38.927 39.000 0.233 0.000 0.867 197 F HN 0.681 nan 8.300 nan 0.000 0.518 198 K N 0.906 121.487 120.400 0.301 0.000 3.596 198 K HA -0.334 3.988 4.320 0.004 0.000 0.295 198 K C 1.357 177.969 176.600 0.019 0.000 1.230 198 K CA 1.852 58.207 56.287 0.114 0.000 1.029 198 K CB -0.848 31.623 32.500 -0.048 0.000 1.303 198 K HN 0.807 nan 8.250 nan 0.000 0.442 199 E N -0.736 119.478 120.200 0.024 0.000 2.110 199 E HA -0.124 4.228 4.350 0.004 0.000 0.193 199 E C 1.940 178.515 176.600 -0.043 0.000 0.988 199 E CA 1.148 57.533 56.400 -0.025 0.000 0.804 199 E CB -0.159 29.526 29.700 -0.026 0.000 0.745 199 E HN 0.587 nan 8.360 nan 0.000 0.458 200 G N 1.620 110.397 108.800 -0.039 0.000 2.402 200 G HA2 -0.232 3.730 3.960 0.004 0.000 0.216 200 G HA3 -0.232 3.730 3.960 0.004 0.000 0.216 200 G C 1.573 176.411 174.900 -0.102 0.000 1.162 200 G CA 0.415 45.467 45.100 -0.079 0.000 0.777 200 G HN 0.131 nan 8.290 nan 0.000 0.539 201 L N 1.469 122.653 121.223 -0.065 0.000 2.046 201 L HA 0.162 4.504 4.340 0.004 0.000 0.208 201 L C 3.018 179.863 176.870 -0.041 0.000 1.077 201 L CA 2.173 56.979 54.840 -0.057 0.000 0.747 201 L CB -0.766 41.334 42.059 0.068 0.000 0.896 201 L HN 0.227 nan 8.230 nan 0.000 0.432 202 A N -0.793 122.006 122.820 -0.035 0.000 1.972 202 A HA -0.145 4.177 4.320 0.004 0.000 0.219 202 A C 2.262 179.824 177.584 -0.035 0.000 1.169 202 A CA 1.810 53.827 52.037 -0.034 0.000 0.635 202 A CB -0.839 18.124 19.000 -0.062 0.000 0.810 202 A HN 0.505 nan 8.150 nan 0.000 0.446 203 L N -0.535 120.657 121.223 -0.051 0.000 2.217 203 L HA -0.051 4.291 4.340 0.004 0.000 0.211 203 L C 2.229 179.074 176.870 -0.042 0.000 1.107 203 L CA 1.309 56.119 54.840 -0.050 0.000 0.783 203 L CB -0.190 41.831 42.059 -0.063 0.000 0.919 203 L HN 0.715 nan 8.230 nan 0.000 0.442 204 I N -5.442 115.094 120.570 -0.057 0.000 4.181 204 I HA 0.174 4.346 4.170 0.004 0.000 0.331 204 I C 0.766 176.853 176.117 -0.050 0.000 1.312 204 I CA -0.082 61.183 61.300 -0.057 0.000 1.146 204 I CB 0.147 38.084 38.000 -0.104 0.000 1.074 204 I HN -0.021 nan 8.210 nan 0.000 0.402 205 N N 2.369 121.049 118.700 -0.033 0.000 3.188 205 N HA 0.517 5.259 4.740 0.004 0.000 0.279 205 N C -0.272 175.295 175.510 0.095 0.000 1.213 205 N CA 0.221 53.270 53.050 -0.001 0.000 1.138 205 N CB 0.279 38.781 38.487 0.024 0.000 1.417 205 N HN 0.634 nan 8.380 nan 0.000 0.526 206 G N -1.172 107.675 108.800 0.078 0.000 2.606 206 G HA2 0.248 4.210 3.960 0.004 0.000 0.300 206 G HA3 0.248 4.210 3.960 0.004 0.000 0.300 206 G C -0.101 174.843 174.900 0.074 0.000 1.360 206 G CA -0.426 44.737 45.100 0.104 0.000 0.783 206 G HN 0.185 nan 8.290 nan 0.000 0.484 207 T N -2.182 112.406 114.554 0.058 0.000 3.214 207 T HA 0.265 4.617 4.350 0.004 0.000 0.264 207 T C 1.646 176.348 174.700 0.004 0.000 1.012 207 T CA 0.847 62.964 62.100 0.029 0.000 0.901 207 T CB 0.387 69.270 68.868 0.025 0.000 1.070 207 T HN 0.250 nan 8.240 nan 0.000 0.561 208 S N 1.231 116.932 115.700 0.001 0.000 2.419 208 S HA 0.013 4.485 4.470 0.004 0.000 0.235 208 S C 2.261 176.832 174.600 -0.049 0.000 1.019 208 S CA 1.235 59.422 58.200 -0.020 0.000 0.982 208 S CB -0.667 62.522 63.200 -0.017 0.000 0.789 208 S HN 0.790 nan 8.310 nan 0.000 0.490 209 G N 2.600 111.375 108.800 -0.042 0.000 2.434 209 G HA2 -0.199 3.764 3.960 0.004 0.000 0.214 209 G HA3 -0.199 3.764 3.960 0.004 0.000 0.214 209 G C 1.468 176.314 174.900 -0.090 0.000 1.202 209 G CA 1.006 46.056 45.100 -0.082 0.000 0.788 209 G HN 0.622 nan 8.290 nan 0.000 0.539 210 M N -0.278 119.301 119.600 -0.035 0.000 2.175 210 M HA 0.068 4.550 4.480 0.004 0.000 0.264 210 M C 2.237 178.516 176.300 -0.036 0.000 1.063 210 M CA 2.067 57.352 55.300 -0.025 0.000 1.119 210 M CB -0.927 31.667 32.600 -0.011 0.000 1.377 210 M HN -0.000 nan 8.290 nan 0.000 0.415 211 T N 0.948 115.480 114.554 -0.035 0.000 2.857 211 T HA 0.067 4.420 4.350 0.004 0.000 0.266 211 T C 1.966 176.641 174.700 -0.042 0.000 1.048 211 T CA 1.389 63.470 62.100 -0.031 0.000 1.139 211 T CB -0.569 68.285 68.868 -0.023 0.000 0.874 211 T HN 0.698 nan 8.240 nan 0.000 0.455 212 G N 1.504 110.264 108.800 -0.067 0.000 2.414 212 G HA2 -0.100 3.862 3.960 0.004 0.000 0.215 212 G HA3 -0.100 3.862 3.960 0.004 0.000 0.215 212 G C 1.497 176.338 174.900 -0.098 0.000 1.188 212 G CA 0.545 45.594 45.100 -0.084 0.000 0.783 212 G HN 0.397 nan 8.290 nan 0.000 0.537 213 L N 1.612 122.751 121.223 -0.140 0.000 2.046 213 L HA 0.172 4.514 4.340 0.004 0.000 0.208 213 L C 2.797 179.641 176.870 -0.043 0.000 1.077 213 L CA 2.238 57.004 54.840 -0.123 0.000 0.747 213 L CB -0.915 41.050 42.059 -0.157 0.000 0.896 213 L HN 0.180 nan 8.230 nan 0.000 0.432 214 G N -1.524 107.258 108.800 -0.030 0.000 2.440 214 G HA2 -0.278 3.684 3.960 0.004 0.000 0.218 214 G HA3 -0.278 3.684 3.960 0.004 0.000 0.218 214 G C 1.588 176.491 174.900 0.005 0.000 1.154 214 G CA 0.942 46.041 45.100 -0.003 0.000 0.767 214 G HN 0.478 nan 8.290 nan 0.000 0.552 215 S N 0.561 116.258 115.700 -0.005 0.000 2.359 215 S HA -0.093 4.379 4.470 0.004 0.000 0.223 215 S C 2.332 176.939 174.600 0.011 0.000 1.039 215 S CA 1.225 59.428 58.200 0.005 0.000 1.042 215 S CB -0.360 62.837 63.200 -0.005 0.000 0.915 215 S HN 0.340 nan 8.310 nan 0.000 0.439 216 L N 1.040 122.263 121.223 -0.000 0.000 2.012 216 L HA -0.125 4.218 4.340 0.004 0.000 0.210 216 L C 2.414 179.297 176.870 0.023 0.000 1.073 216 L CA 1.100 55.945 54.840 0.008 0.000 0.748 216 L CB -1.020 41.037 42.059 -0.003 0.000 0.891 216 L HN 0.211 nan 8.230 nan 0.000 0.431 217 V N -0.434 119.495 119.914 0.025 0.000 2.255 217 V HA -0.257 3.865 4.120 0.004 0.000 0.247 217 V C 2.474 178.596 176.094 0.046 0.000 1.051 217 V CA 1.716 64.038 62.300 0.038 0.000 1.018 217 V CB -0.379 31.468 31.823 0.041 0.000 0.641 217 V HN 0.200 nan 8.190 nan 0.000 0.445 218 V N 0.877 120.820 119.914 0.048 0.000 2.343 218 V HA -0.182 3.941 4.120 0.004 0.000 0.247 218 V C 2.634 178.767 176.094 0.066 0.000 1.051 218 V CA 2.162 64.499 62.300 0.062 0.000 1.036 218 V CB -1.470 30.395 31.823 0.070 0.000 0.654 218 V HN 0.620 nan 8.190 nan 0.000 0.451 219 G N -0.064 108.769 108.800 0.056 0.000 2.446 219 G HA2 -0.251 3.711 3.960 0.004 0.000 0.217 219 G HA3 -0.251 3.711 3.960 0.004 0.000 0.217 219 G C 1.748 176.681 174.900 0.056 0.000 1.168 219 G CA 0.768 45.902 45.100 0.056 0.000 0.771 219 G HN 0.448 nan 8.290 nan 0.000 0.551 220 R N 0.483 121.013 120.500 0.049 0.000 2.115 220 R HA 0.114 4.456 4.340 0.004 0.000 0.230 220 R C 2.983 179.317 176.300 0.055 0.000 1.111 220 R CA 0.899 57.029 56.100 0.049 0.000 0.976 220 R CB -0.301 30.025 30.300 0.043 0.000 0.870 220 R HN 0.352 nan 8.270 nan 0.000 0.445 221 A N 1.280 124.133 122.820 0.056 0.000 1.902 221 A HA -0.132 4.190 4.320 0.004 0.000 0.217 221 A C 2.129 179.746 177.584 0.056 0.000 1.181 221 A CA 1.159 53.228 52.037 0.055 0.000 0.623 221 A CB -0.467 18.566 19.000 0.054 0.000 0.818 221 A HN 0.181 nan 8.150 nan 0.000 0.443 222 L N -0.580 120.683 121.223 0.067 0.000 2.093 222 L HA -0.180 4.162 4.340 0.004 0.000 0.208 222 L C 2.539 179.454 176.870 0.076 0.000 1.085 222 L CA 1.448 56.335 54.840 0.078 0.000 0.755 222 L CB -0.496 41.631 42.059 0.114 0.000 0.904 222 L HN 0.475 nan 8.230 nan 0.000 0.435 223 E N -0.452 119.792 120.200 0.072 0.000 2.152 223 E HA -0.264 4.088 4.350 0.004 0.000 0.192 223 E C 2.046 178.696 176.600 0.082 0.000 0.983 223 E CA 0.765 57.210 56.400 0.075 0.000 0.818 223 E CB -0.032 29.708 29.700 0.066 0.000 0.758 223 E HN 0.526 nan 8.360 nan 0.000 0.467 224 Q N 0.747 120.592 119.800 0.074 0.000 2.119 224 Q HA -0.120 4.223 4.340 0.004 0.000 0.201 224 Q C 2.166 178.211 176.000 0.075 0.000 0.972 224 Q CA 1.206 57.057 55.803 0.079 0.000 0.847 224 Q CB -0.062 28.716 28.738 0.067 0.000 0.903 224 Q HN 0.231 nan 8.270 nan 0.000 0.433 225 A N 0.635 123.489 122.820 0.056 0.000 1.908 225 A HA -0.266 4.057 4.320 0.004 0.000 0.218 225 A C 1.933 179.547 177.584 0.050 0.000 1.181 225 A CA 1.725 53.786 52.037 0.040 0.000 0.627 225 A CB -0.570 18.440 19.000 0.018 0.000 0.818 225 A HN 0.523 nan 8.150 nan 0.000 0.445 226 Q N -0.759 119.081 119.800 0.066 0.000 2.079 226 Q HA -0.197 4.146 4.340 0.004 0.000 0.200 226 Q C 2.212 178.269 176.000 0.094 0.000 0.974 226 Q CA 1.588 57.434 55.803 0.072 0.000 0.840 226 Q CB -0.193 28.593 28.738 0.080 0.000 0.898 226 Q HN 0.762 nan 8.270 nan 0.000 0.430 227 Q N -0.335 119.544 119.800 0.131 0.000 2.297 227 Q HA -0.030 4.312 4.340 0.004 0.000 0.204 227 Q C 1.889 178.000 176.000 0.185 0.000 0.962 227 Q CA 0.864 56.795 55.803 0.213 0.000 0.879 227 Q CB 0.050 28.934 28.738 0.243 0.000 0.947 227 Q HN 0.332 nan 8.270 nan 0.000 0.462 228 A N 1.313 124.194 122.820 0.102 0.000 1.930 228 A HA -0.157 4.165 4.320 0.004 0.000 0.215 228 A C 1.760 179.334 177.584 -0.018 0.000 1.176 228 A CA 0.953 53.016 52.037 0.042 0.000 0.632 228 A CB -0.135 18.888 19.000 0.039 0.000 0.819 228 A HN 0.275 nan 8.150 nan 0.000 0.445 229 E N -0.092 120.106 120.200 -0.004 0.000 2.106 229 E HA -0.114 4.239 4.350 0.004 0.000 0.192 229 E C 1.782 178.340 176.600 -0.070 0.000 0.984 229 E CA 1.052 57.429 56.400 -0.039 0.000 0.806 229 E CB -0.272 29.414 29.700 -0.024 0.000 0.750 229 E HN 0.678 nan 8.360 nan 0.000 0.458 230 I N 0.528 121.080 120.570 -0.030 0.000 2.179 230 I HA -0.231 3.941 4.170 0.004 0.000 0.242 230 I C 2.526 178.533 176.117 -0.183 0.000 1.088 230 I CA 0.801 62.078 61.300 -0.038 0.000 1.357 230 I CB -0.168 37.894 38.000 0.102 0.000 1.051 230 I HN 0.043 nan 8.210 nan 0.000 0.409 231 V N 0.123 119.813 119.914 -0.372 0.000 2.591 231 V HA -0.208 3.914 4.120 0.004 0.000 0.249 231 V C 2.366 178.259 176.094 -0.335 0.000 1.053 231 V CA 2.336 64.254 62.300 -0.637 0.000 1.068 231 V CB -0.261 30.835 31.823 -1.211 0.000 0.689 231 V HN 0.448 nan 8.190 nan 0.000 0.462 232 T N 0.683 115.106 114.554 -0.217 0.000 2.788 232 T HA -0.116 4.236 4.350 0.004 0.000 0.268 232 T C 1.998 176.617 174.700 -0.136 0.000 1.044 232 T CA 1.615 63.633 62.100 -0.137 0.000 1.139 232 T CB -0.468 68.352 68.868 -0.080 0.000 0.867 232 T HN 0.661 nan 8.240 nan 0.000 0.454 233 A N 1.527 124.250 122.820 -0.162 0.000 1.877 233 A HA -0.027 4.295 4.320 0.004 0.000 0.216 233 A C 2.247 179.753 177.584 -0.130 0.000 1.186 233 A CA 1.467 53.401 52.037 -0.172 0.000 0.620 233 A CB -0.889 18.010 19.000 -0.168 0.000 0.822 233 A HN 0.425 nan 8.150 nan 0.000 0.443 234 L N -0.624 120.521 121.223 -0.130 0.000 2.042 234 L HA -0.152 4.190 4.340 0.004 0.000 0.210 234 L C 2.224 179.041 176.870 -0.088 0.000 1.076 234 L CA 2.275 57.056 54.840 -0.098 0.000 0.749 234 L CB -0.686 41.305 42.059 -0.113 0.000 0.893 234 L HN 0.349 nan 8.230 nan 0.000 0.432 235 L N -0.332 120.823 121.223 -0.114 0.000 2.017 235 L HA -0.168 4.174 4.340 0.004 0.000 0.208 235 L C 2.393 179.233 176.870 -0.050 0.000 1.073 235 L CA 1.889 56.677 54.840 -0.087 0.000 0.745 235 L CB -0.690 41.308 42.059 -0.101 0.000 0.894 235 L HN 0.340 nan 8.230 nan 0.000 0.432 236 I N -0.488 120.055 120.570 -0.046 0.000 2.264 236 I HA -0.298 3.874 4.170 0.004 0.000 0.248 236 I C 2.399 178.508 176.117 -0.014 0.000 1.111 236 I CA 1.460 62.754 61.300 -0.011 0.000 1.382 236 I CB -0.315 37.688 38.000 0.005 0.000 1.060 236 I HN 0.406 nan 8.210 nan 0.000 0.418 237 E N 0.796 120.975 120.200 -0.036 0.000 2.072 237 E HA -0.170 4.182 4.350 0.004 0.000 0.191 237 E C 2.348 178.940 176.600 -0.012 0.000 0.985 237 E CA 1.180 57.562 56.400 -0.031 0.000 0.801 237 E CB -0.173 29.496 29.700 -0.051 0.000 0.750 237 E HN 0.494 nan 8.360 nan 0.000 0.452 238 A N 0.883 123.693 122.820 -0.016 0.000 2.019 238 A HA -0.102 4.220 4.320 0.004 0.000 0.219 238 A C 2.164 179.772 177.584 0.040 0.000 1.164 238 A CA 0.999 53.035 52.037 -0.001 0.000 0.644 238 A CB -0.041 18.948 19.000 -0.017 0.000 0.805 238 A HN 0.118 nan 8.150 nan 0.000 0.449 239 V N -0.688 119.254 119.914 0.046 0.000 3.621 239 V HA 0.087 4.209 4.120 0.004 0.000 0.285 239 V C 0.276 176.429 176.094 0.098 0.000 1.346 239 V CA 0.015 62.382 62.300 0.112 0.000 1.104 239 V CB -0.839 31.017 31.823 0.055 0.000 0.913 239 V HN 0.599 nan 8.190 nan 0.000 0.432 240 R N 0.344 120.871 120.500 0.045 0.000 3.267 240 R HA -0.136 4.206 4.340 0.004 0.000 0.254 240 R C 0.627 176.867 176.300 -0.101 0.000 0.993 240 R CA 0.731 56.817 56.100 -0.023 0.000 0.670 240 R CB -2.078 28.213 30.300 -0.015 0.000 1.125 240 R HN 0.573 nan 8.270 nan 0.000 0.434 241 G N 0.152 108.931 108.800 -0.036 0.000 2.599 241 G HA2 0.293 4.255 3.960 0.004 0.000 0.264 241 G HA3 0.293 4.255 3.960 0.004 0.000 0.264 241 G C -0.038 174.879 174.900 0.028 0.000 1.200 241 G CA 0.032 45.125 45.100 -0.012 0.000 0.896 241 G HN 0.213 nan 8.290 nan 0.000 0.536 242 S N -1.740 113.989 115.700 0.049 0.000 2.584 242 S HA 0.327 4.799 4.470 0.004 0.000 0.273 242 S C 1.634 176.327 174.600 0.156 0.000 1.311 242 S CA 0.167 58.413 58.200 0.076 0.000 1.034 242 S CB 0.918 64.158 63.200 0.066 0.000 0.939 242 S HN 0.859 nan 8.310 nan 0.000 0.513 243 T N 1.210 115.866 114.554 0.169 0.000 3.100 243 T HA 0.052 4.404 4.350 0.004 0.000 0.253 243 T C 1.875 176.689 174.700 0.191 0.000 1.118 243 T CA 0.707 62.983 62.100 0.293 0.000 1.058 243 T CB -0.193 68.796 68.868 0.201 0.000 0.953 243 T HN 0.458 nan 8.240 nan 0.000 0.515 244 S N 2.858 118.590 115.700 0.054 0.000 2.365 244 S HA -0.047 4.426 4.470 0.004 0.000 0.225 244 S C -0.632 173.870 174.600 -0.164 0.000 1.039 244 S CA 1.366 59.538 58.200 -0.046 0.000 1.033 244 S CB -1.210 61.934 63.200 -0.093 0.000 0.887 244 S HN 0.437 nan 8.310 nan 0.000 0.447 245 P HA -0.039 nan 4.420 nan 0.000 0.223 245 P C 0.345 177.336 177.300 -0.514 0.000 1.144 245 P CA 0.974 63.731 63.100 -0.572 0.000 0.783 245 P CB -0.119 31.054 31.700 -0.877 0.000 0.771 246 F N -2.183 117.841 119.950 0.124 0.000 2.695 246 F HA 0.195 4.725 4.527 0.004 0.000 0.303 246 F C 1.044 176.947 175.800 0.173 0.000 1.091 246 F CA -0.559 57.526 58.000 0.143 0.000 1.300 246 F CB -0.829 38.190 39.000 0.032 0.000 1.071 246 F HN -0.260 nan 8.300 nan 0.000 0.578 247 L N 0.749 122.107 121.223 0.225 0.000 2.540 247 L HA 0.040 4.383 4.340 0.004 0.000 0.276 247 L C 1.786 178.770 176.870 0.190 0.000 1.212 247 L CA -0.144 54.787 54.840 0.152 0.000 0.893 247 L CB 0.418 42.508 42.059 0.051 0.000 1.138 247 L HN 0.239 nan 8.230 nan 0.000 0.491 248 A N 3.610 126.526 122.820 0.160 0.000 1.927 248 A HA -0.225 4.097 4.320 0.004 0.000 0.220 248 A C 2.127 179.766 177.584 0.093 0.000 1.185 248 A CA 1.943 54.074 52.037 0.156 0.000 0.639 248 A CB -0.488 18.567 19.000 0.091 0.000 0.820 248 A HN 0.927 nan 8.150 nan 0.000 0.451 249 E N -0.274 119.940 120.200 0.023 0.000 2.118 249 E HA -0.158 4.194 4.350 0.004 0.000 0.195 249 E C 1.878 178.415 176.600 -0.105 0.000 0.992 249 E CA 1.488 57.870 56.400 -0.031 0.000 0.804 249 E CB -1.054 28.622 29.700 -0.039 0.000 0.741 249 E HN 0.489 nan 8.360 nan 0.000 0.458 250 G N -0.271 108.402 108.800 -0.211 0.000 2.598 250 G HA2 -0.139 3.824 3.960 0.004 0.000 0.215 250 G HA3 -0.139 3.824 3.960 0.004 0.000 0.215 250 G C 0.705 175.213 174.900 -0.653 0.000 1.131 250 G CA 0.955 45.785 45.100 -0.449 0.000 0.785 250 G HN 0.410 nan 8.290 nan 0.000 0.539 251 H N -0.956 118.107 119.070 -0.011 0.000 2.143 251 H HA 0.175 4.733 4.556 0.003 0.000 0.238 251 H C 1.779 177.105 175.328 -0.003 0.000 0.914 251 H CA 0.156 56.206 56.048 0.003 0.000 1.154 251 H CB -0.008 29.772 29.762 0.029 0.000 1.359 251 H HN 0.072 nan 8.280 nan 0.000 0.493 252 D N 0.801 121.283 120.400 0.137 0.000 2.158 252 D HA -0.127 4.516 4.640 0.004 0.000 0.197 252 D C 1.615 177.926 176.300 0.019 0.000 0.995 252 D CA 1.545 55.585 54.000 0.068 0.000 0.846 252 D CB 0.168 41.004 40.800 0.061 0.000 0.941 252 D HN 0.391 nan 8.370 nan 0.000 0.456 253 I N -0.190 120.378 120.570 -0.004 0.000 2.962 253 I HA 0.050 4.222 4.170 0.004 0.000 0.246 253 I C 2.254 178.342 176.117 -0.049 0.000 1.091 253 I CA 0.508 61.791 61.300 -0.028 0.000 1.469 253 I CB -0.218 37.763 38.000 -0.032 0.000 1.324 253 I HN -0.094 nan 8.210 nan 0.000 0.461 254 A N 0.293 123.069 122.820 -0.074 0.000 2.015 254 A HA -0.033 4.290 4.320 0.004 0.000 0.219 254 A C 1.635 179.167 177.584 -0.087 0.000 1.163 254 A CA 1.086 53.070 52.037 -0.088 0.000 0.646 254 A CB -0.109 18.819 19.000 -0.120 0.000 0.806 254 A HN 0.385 nan 8.150 nan 0.000 0.448 255 R N -0.719 119.735 120.500 -0.077 0.000 3.033 255 R HA 0.201 4.543 4.340 0.004 0.000 0.236 255 R C -2.887 173.373 176.300 -0.067 0.000 1.774 255 R CA -1.132 54.918 56.100 -0.083 0.000 1.401 255 R CB 0.802 31.088 30.300 -0.022 0.000 1.539 255 R HN 0.033 nan 8.270 nan 0.000 0.618 256 P HA -0.047 nan 4.420 nan 0.000 0.311 256 P C -0.757 176.501 177.300 -0.071 0.000 1.543 256 P CA 0.449 63.509 63.100 -0.067 0.000 0.766 256 P CB -0.466 31.192 31.700 -0.069 0.000 1.711 257 H N -0.496 118.607 119.070 0.055 0.000 2.803 257 H HA 0.030 4.588 4.556 0.004 0.000 0.330 257 H C 1.588 176.963 175.328 0.079 0.000 1.057 257 H CA 0.036 56.117 56.048 0.055 0.000 1.458 257 H CB 0.952 30.739 29.762 0.042 0.000 1.470 257 H HN 0.191 nan 8.280 nan 0.000 0.560 258 E N 2.880 123.212 120.200 0.220 0.000 2.033 258 E HA -0.210 4.143 4.350 0.004 0.000 0.199 258 E C 2.276 179.026 176.600 0.250 0.000 1.011 258 E CA 1.489 58.013 56.400 0.206 0.000 0.815 258 E CB -0.281 29.554 29.700 0.225 0.000 0.755 258 E HN 0.916 nan 8.360 nan 0.000 0.451 259 G N 0.376 109.334 108.800 0.264 0.000 2.442 259 G HA2 -0.368 3.594 3.960 0.004 0.000 0.219 259 G HA3 -0.368 3.594 3.960 0.004 0.000 0.219 259 G C 1.493 176.443 174.900 0.084 0.000 1.141 259 G CA 0.977 46.164 45.100 0.146 0.000 0.763 259 G HN 0.381 nan 8.290 nan 0.000 0.554 260 Q N -0.230 119.629 119.800 0.098 0.000 2.084 260 Q HA -0.038 4.305 4.340 0.004 0.000 0.202 260 Q C 2.570 178.566 176.000 -0.006 0.000 0.978 260 Q CA 1.108 56.948 55.803 0.062 0.000 0.844 260 Q CB -0.205 28.636 28.738 0.171 0.000 0.898 260 Q HN 0.570 nan 8.270 nan 0.000 0.426 261 I N 1.025 121.637 120.570 0.071 0.000 2.226 261 I HA -0.290 3.882 4.170 0.004 0.000 0.245 261 I C 1.665 177.796 176.117 0.023 0.000 1.100 261 I CA 1.193 62.524 61.300 0.052 0.000 1.374 261 I CB -0.299 37.754 38.000 0.089 0.000 1.057 261 I HN 0.243 nan 8.210 nan 0.000 0.413 262 D N 0.339 120.780 120.400 0.067 0.000 2.117 262 D HA -0.141 4.501 4.640 0.004 0.000 0.197 262 D C 2.216 178.535 176.300 0.031 0.000 0.987 262 D CA 1.537 55.582 54.000 0.074 0.000 0.829 262 D CB -0.418 40.483 40.800 0.168 0.000 0.961 262 D HN 0.240 nan 8.370 nan 0.000 0.460 263 T N 0.654 115.213 114.554 0.008 0.000 2.746 263 T HA -0.093 4.260 4.350 0.004 0.000 0.267 263 T C 1.992 176.665 174.700 -0.044 0.000 1.039 263 T CA 1.465 63.556 62.100 -0.015 0.000 1.142 263 T CB -0.248 68.611 68.868 -0.015 0.000 0.866 263 T HN 0.188 nan 8.240 nan 0.000 0.444 264 A N 1.423 124.176 122.820 -0.113 0.000 1.902 264 A HA 0.143 4.465 4.320 0.004 0.000 0.217 264 A C 2.637 180.203 177.584 -0.030 0.000 1.181 264 A CA 1.865 53.835 52.037 -0.111 0.000 0.623 264 A CB -1.116 17.587 19.000 -0.495 0.000 0.818 264 A HN 0.501 nan 8.150 nan 0.000 0.443 265 A N 0.251 123.055 122.820 -0.026 0.000 1.902 265 A HA -0.215 4.107 4.320 0.004 0.000 0.217 265 A C 1.936 179.508 177.584 -0.020 0.000 1.181 265 A CA 1.932 53.969 52.037 -0.001 0.000 0.623 265 A CB -0.654 18.354 19.000 0.012 0.000 0.818 265 A HN 0.533 nan 8.150 nan 0.000 0.443 266 N N -0.508 118.176 118.700 -0.026 0.000 2.166 266 N HA -0.100 4.642 4.740 0.004 0.000 0.186 266 N C 1.642 177.096 175.510 -0.093 0.000 1.019 266 N CA 1.477 54.505 53.050 -0.038 0.000 0.856 266 N CB -0.372 38.104 38.487 -0.019 0.000 0.993 266 N HN 0.345 nan 8.380 nan 0.000 0.426 267 M N 0.624 120.132 119.600 -0.153 0.000 2.175 267 M HA -0.021 4.461 4.480 0.004 0.000 0.264 267 M C 1.888 178.005 176.300 -0.306 0.000 1.063 267 M CA 1.108 56.207 55.300 -0.335 0.000 1.119 267 M CB -0.834 31.377 32.600 -0.649 0.000 1.377 267 M HN 0.139 nan 8.290 nan 0.000 0.415 268 R N -0.118 120.284 120.500 -0.162 0.000 2.081 268 R HA -0.051 4.291 4.340 0.004 0.000 0.235 268 R C 2.296 178.556 176.300 -0.067 0.000 1.131 268 R CA 1.511 57.565 56.100 -0.077 0.000 0.960 268 R CB -0.522 29.784 30.300 0.009 0.000 0.856 268 R HN 0.381 nan 8.270 nan 0.000 0.436 269 A N 1.215 124.001 122.820 -0.056 0.000 1.898 269 A HA -0.095 4.227 4.320 0.004 0.000 0.216 269 A C 2.189 179.743 177.584 -0.050 0.000 1.181 269 A CA 1.009 53.023 52.037 -0.038 0.000 0.620 269 A CB -0.460 18.526 19.000 -0.022 0.000 0.819 269 A HN 0.162 nan 8.150 nan 0.000 0.442 270 L N -1.257 119.921 121.223 -0.075 0.000 2.083 270 L HA -0.126 4.216 4.340 0.004 0.000 0.209 270 L C 2.506 179.326 176.870 -0.083 0.000 1.083 270 L CA 1.343 56.139 54.840 -0.074 0.000 0.752 270 L CB -0.314 41.688 42.059 -0.094 0.000 0.899 270 L HN 0.413 nan 8.230 nan 0.000 0.433 271 M N -1.208 118.323 119.600 -0.114 0.000 2.495 271 M HA 0.031 4.514 4.480 0.004 0.000 0.237 271 M C 0.806 177.067 176.300 -0.064 0.000 1.131 271 M CA 0.010 55.250 55.300 -0.101 0.000 1.032 271 M CB 0.040 32.556 32.600 -0.139 0.000 1.513 271 M HN 0.048 nan 8.290 nan 0.000 0.488 272 R N 1.284 121.752 120.500 -0.052 0.000 2.537 272 R HA 0.068 4.410 4.340 0.004 0.000 0.281 272 R C 0.957 177.238 176.300 -0.031 0.000 0.988 272 R CA 1.416 57.497 56.100 -0.032 0.000 1.077 272 R CB 0.061 30.347 30.300 -0.023 0.000 0.932 272 R HN 0.514 nan 8.270 nan 0.000 0.409 273 G N 2.298 111.082 108.800 -0.026 0.000 2.159 273 G HA2 -0.311 3.652 3.960 0.004 0.000 0.256 273 G HA3 -0.311 3.652 3.960 0.004 0.000 0.256 273 G C 0.051 174.925 174.900 -0.042 0.000 0.977 273 G CA 0.367 45.449 45.100 -0.030 0.000 0.652 273 G HN 0.728 nan 8.290 nan 0.000 0.531 274 S N -0.250 115.424 115.700 -0.043 0.000 2.580 274 S HA 0.548 5.021 4.470 0.004 0.000 0.274 274 S C 1.540 176.115 174.600 -0.043 0.000 1.329 274 S CA 0.918 59.086 58.200 -0.053 0.000 1.036 274 S CB 1.166 64.335 63.200 -0.051 0.000 0.919 274 S HN 1.327 nan 8.310 nan 0.000 0.515 275 G N 3.103 111.872 108.800 -0.052 0.000 3.159 275 G HA2 0.224 4.186 3.960 0.004 0.000 0.232 275 G HA3 0.224 4.186 3.960 0.004 0.000 0.232 275 G C 0.833 175.717 174.900 -0.027 0.000 1.116 275 G CA -0.144 44.933 45.100 -0.038 0.000 0.767 275 G HN 0.646 nan 8.290 nan 0.000 0.547 276 L N 0.911 122.116 121.223 -0.029 0.000 2.388 276 L HA 0.167 4.510 4.340 0.004 0.000 0.209 276 L C 1.916 178.783 176.870 -0.005 0.000 1.061 276 L CA 0.528 55.361 54.840 -0.012 0.000 0.834 276 L CB -0.409 41.640 42.059 -0.018 0.000 1.029 276 L HN 0.188 nan 8.230 nan 0.000 0.473 277 T N -0.744 113.804 114.554 -0.010 0.000 2.855 277 T HA 0.281 4.634 4.350 0.004 0.000 0.322 277 T C -0.056 174.647 174.700 0.004 0.000 1.088 277 T CA -0.443 61.658 62.100 0.002 0.000 1.104 277 T CB 1.190 70.065 68.868 0.012 0.000 0.996 277 T HN -0.108 nan 8.240 nan 0.000 0.549 278 V N 1.730 121.649 119.914 0.008 0.000 2.628 278 V HA 0.438 4.560 4.120 0.004 0.000 0.306 278 V C 0.060 176.173 176.094 0.031 0.000 1.045 278 V CA -1.048 61.254 62.300 0.004 0.000 0.905 278 V CB 1.831 33.638 31.823 -0.027 0.000 0.997 278 V HN 0.895 nan 8.190 nan 0.000 0.436 279 E N 1.240 121.457 120.200 0.028 0.000 2.277 279 E HA 0.202 4.554 4.350 0.004 0.000 0.274 279 E C 0.597 177.232 176.600 0.058 0.000 1.022 279 E CA -0.367 56.065 56.400 0.054 0.000 0.853 279 E CB 1.410 31.134 29.700 0.040 0.000 1.086 279 E HN 0.751 nan 8.360 nan 0.000 0.397 280 H N 2.941 122.011 119.070 0.001 0.000 2.319 280 H HA -0.179 4.380 4.556 0.004 0.000 0.297 280 H C 1.713 177.037 175.328 -0.007 0.000 1.097 280 H CA 2.587 58.631 56.048 -0.007 0.000 1.285 280 H CB 0.152 29.907 29.762 -0.011 0.000 1.368 280 H HN 0.616 nan 8.280 nan 0.000 0.495 281 A N 0.480 123.289 122.820 -0.018 0.000 1.892 281 A HA -0.242 4.081 4.320 0.004 0.000 0.218 281 A C 2.141 179.665 177.584 -0.101 0.000 1.188 281 A CA 2.152 54.150 52.037 -0.065 0.000 0.631 281 A CB -0.599 18.402 19.000 0.001 0.000 0.822 281 A HN 0.570 nan 8.150 nan 0.000 0.447 282 D N -0.335 120.024 120.400 -0.068 0.000 2.144 282 D HA -0.070 4.572 4.640 0.004 0.000 0.200 282 D C 1.968 178.215 176.300 -0.089 0.000 0.978 282 D CA 0.712 54.676 54.000 -0.060 0.000 0.833 282 D CB -0.342 40.439 40.800 -0.032 0.000 0.961 282 D HN 0.433 nan 8.370 nan 0.000 0.470 283 L N 0.842 121.991 121.223 -0.125 0.000 1.989 283 L HA -0.199 4.143 4.340 0.004 0.000 0.211 283 L C 2.652 179.421 176.870 -0.169 0.000 1.071 283 L CA 1.540 56.298 54.840 -0.137 0.000 0.749 283 L CB -0.248 41.726 42.059 -0.142 0.000 0.890 283 L HN 0.087 nan 8.230 nan 0.000 0.431 284 R N -0.455 119.875 120.500 -0.283 0.000 2.148 284 R HA -0.144 4.198 4.340 0.004 0.000 0.227 284 R C 2.208 178.433 176.300 -0.124 0.000 1.103 284 R CA 1.004 56.971 56.100 -0.221 0.000 0.983 284 R CB -0.411 29.713 30.300 -0.293 0.000 0.874 284 R HN 0.287 nan 8.270 nan 0.000 0.451 285 R N 0.857 121.292 120.500 -0.108 0.000 2.062 285 R HA -0.107 4.235 4.340 0.004 0.000 0.229 285 R C 2.316 178.585 176.300 -0.052 0.000 1.128 285 R CA 1.705 57.766 56.100 -0.065 0.000 0.960 285 R CB -0.254 30.015 30.300 -0.052 0.000 0.855 285 R HN 0.476 nan 8.270 nan 0.000 0.432 286 E N 0.855 121.023 120.200 -0.053 0.000 2.085 286 E HA -0.229 4.123 4.350 0.004 0.000 0.194 286 E C 1.914 178.493 176.600 -0.036 0.000 0.994 286 E CA 1.123 57.502 56.400 -0.036 0.000 0.801 286 E CB -0.014 29.667 29.700 -0.032 0.000 0.743 286 E HN 0.112 nan 8.360 nan 0.000 0.453 287 L N 1.146 122.339 121.223 -0.051 0.000 2.141 287 L HA -0.149 4.194 4.340 0.004 0.000 0.209 287 L C 2.394 179.238 176.870 -0.043 0.000 1.094 287 L CA 1.713 56.524 54.840 -0.048 0.000 0.763 287 L CB -0.571 41.451 42.059 -0.062 0.000 0.908 287 L HN 0.162 nan 8.230 nan 0.000 0.437 288 Q N 0.236 120.009 119.800 -0.045 0.000 2.079 288 Q HA -0.208 4.135 4.340 0.004 0.000 0.200 288 Q C 2.171 178.154 176.000 -0.027 0.000 0.974 288 Q CA 1.888 57.670 55.803 -0.035 0.000 0.840 288 Q CB -0.172 28.545 28.738 -0.036 0.000 0.898 288 Q HN 0.495 nan 8.270 nan 0.000 0.430 289 K N -0.000 120.385 120.400 -0.025 0.000 2.152 289 K HA -0.164 4.158 4.320 0.004 0.000 0.206 289 K C 1.560 178.150 176.600 -0.016 0.000 1.048 289 K CA 1.333 57.609 56.287 -0.018 0.000 0.933 289 K CB -0.132 32.359 32.500 -0.015 0.000 0.721 289 K HN 0.258 nan 8.250 nan 0.000 0.447 290 D N 0.857 121.246 120.400 -0.019 0.000 2.347 290 D HA -0.042 4.601 4.640 0.004 0.000 0.215 290 D C -0.325 175.963 176.300 -0.020 0.000 0.976 290 D CA 0.638 54.627 54.000 -0.017 0.000 0.884 290 D CB 0.317 41.105 40.800 -0.019 0.000 0.915 290 D HN 0.028 nan 8.370 nan 0.000 0.526 291 K N 0.931 121.318 120.400 -0.022 0.000 2.172 291 K HA 0.293 4.616 4.320 0.004 0.000 0.276 291 K C -0.028 176.562 176.600 -0.017 0.000 1.013 291 K CA -0.479 55.795 56.287 -0.022 0.000 0.913 291 K CB 1.918 34.403 32.500 -0.025 0.000 1.055 291 K HN 0.116 nan 8.250 nan 0.000 0.461 292 E N 0.476 120.666 120.200 -0.016 0.000 2.314 292 E HA 0.151 4.503 4.350 0.004 0.000 0.262 292 E C 0.532 177.125 176.600 -0.013 0.000 1.093 292 E CA -0.336 56.057 56.400 -0.013 0.000 0.908 292 E CB 1.252 30.945 29.700 -0.012 0.000 1.091 292 E HN 0.721 nan 8.360 nan 0.000 0.425 293 A N 1.448 124.262 122.820 -0.011 0.000 2.081 293 A HA 0.058 4.380 4.320 0.004 0.000 0.214 293 A C 1.807 179.386 177.584 -0.009 0.000 1.158 293 A CA 1.025 53.056 52.037 -0.010 0.000 0.724 293 A CB -0.164 18.830 19.000 -0.009 0.000 0.826 293 A HN 0.687 nan 8.150 nan 0.000 0.463 294 G N -0.365 108.430 108.800 -0.009 0.000 2.777 294 G HA2 0.103 4.065 3.960 0.004 0.000 0.211 294 G HA3 0.103 4.065 3.960 0.004 0.000 0.211 294 G C 0.492 175.387 174.900 -0.009 0.000 1.149 294 G CA -0.082 45.013 45.100 -0.008 0.000 0.785 294 G HN 0.292 nan 8.290 nan 0.000 0.536 295 K N 1.323 121.716 120.400 -0.011 0.000 2.172 295 K HA 0.290 4.612 4.320 0.004 0.000 0.276 295 K C -0.225 176.367 176.600 -0.013 0.000 1.013 295 K CA -0.587 55.693 56.287 -0.012 0.000 0.913 295 K CB 1.885 34.377 32.500 -0.014 0.000 1.055 295 K HN -0.125 nan 8.250 nan 0.000 0.461 296 D N 0.409 120.802 120.400 -0.012 0.000 2.249 296 D HA -0.043 4.599 4.640 0.004 0.000 0.205 296 D C 0.459 176.750 176.300 -0.015 0.000 0.962 296 D CA 0.840 54.833 54.000 -0.012 0.000 0.860 296 D CB 0.461 41.255 40.800 -0.010 0.000 0.955 296 D HN 0.385 nan 8.370 nan 0.000 0.505 297 V N -0.406 119.499 119.914 -0.016 0.000 2.655 297 V HA 0.574 4.697 4.120 0.004 0.000 0.301 297 V C -1.306 174.774 176.094 -0.022 0.000 1.082 297 V CA -0.929 61.359 62.300 -0.020 0.000 0.899 297 V CB 1.857 33.669 31.823 -0.018 0.000 1.014 297 V HN 0.061 nan 8.190 nan 0.000 0.429 298 Q N 3.396 123.179 119.800 -0.027 0.000 2.379 298 Q HA 0.702 5.045 4.340 0.004 0.000 0.278 298 Q C -1.171 174.805 176.000 -0.040 0.000 1.068 298 Q CA -1.141 54.644 55.803 -0.029 0.000 0.816 298 Q CB 2.868 31.590 28.738 -0.026 0.000 1.387 298 Q HN 0.804 nan 8.270 nan 0.000 0.413 299 R N 0.781 121.258 120.500 -0.040 0.000 2.560 299 R HA 0.641 4.984 4.340 0.004 0.000 0.270 299 R C -0.488 175.776 176.300 -0.059 0.000 1.074 299 R CA -0.447 55.621 56.100 -0.053 0.000 1.140 299 R CB 1.451 31.726 30.300 -0.041 0.000 1.073 299 R HN 0.681 nan 8.270 nan 0.000 0.527 300 S N -0.500 115.147 115.700 -0.088 0.000 2.537 300 S HA 0.137 4.609 4.470 0.004 0.000 0.270 300 S C -0.210 174.323 174.600 -0.113 0.000 1.142 300 S CA -0.762 57.386 58.200 -0.086 0.000 0.870 300 S CB 1.752 64.894 63.200 -0.096 0.000 1.112 300 S HN 0.719 nan 8.310 nan 0.000 0.466 301 E N 1.903 122.077 120.200 -0.044 0.000 2.478 301 E HA 0.200 4.553 4.350 0.004 0.000 0.194 301 E C -0.195 176.434 176.600 0.047 0.000 1.045 301 E CA 0.308 56.720 56.400 0.019 0.000 0.868 301 E CB 0.162 29.911 29.700 0.082 0.000 0.885 301 E HN 0.570 nan 8.360 nan 0.000 0.505 302 I N 1.203 121.752 120.570 -0.036 0.000 2.395 302 I HA 0.098 4.270 4.170 0.004 0.000 0.289 302 I C -0.525 175.527 176.117 -0.108 0.000 1.023 302 I CA -0.403 60.898 61.300 0.002 0.000 1.350 302 I CB 0.384 38.375 38.000 -0.015 0.000 1.409 302 I HN -0.115 nan 8.210 nan 0.000 0.507 303 Y N 5.702 125.991 120.300 -0.020 0.000 2.369 303 Y HA 0.169 4.721 4.550 0.003 0.000 0.337 303 Y C 0.687 176.574 175.900 -0.022 0.000 0.961 303 Y CA -0.581 57.509 58.100 -0.016 0.000 1.186 303 Y CB 1.598 40.049 38.460 -0.015 0.000 1.139 303 Y HN 0.503 nan 8.280 nan 0.000 0.494 304 L N 2.185 123.460 121.223 0.086 0.000 2.131 304 L HA -0.080 4.262 4.340 0.004 0.000 0.210 304 L C 0.254 177.199 176.870 0.125 0.000 1.092 304 L CA 1.877 56.765 54.840 0.079 0.000 0.759 304 L CB -0.175 41.928 42.059 0.073 0.000 0.903 304 L HN 0.608 nan 8.230 nan 0.000 0.435 305 Q N -0.607 119.276 119.800 0.139 0.000 2.413 305 Q HA 0.368 4.710 4.340 0.004 0.000 0.276 305 Q C -0.722 175.346 176.000 0.112 0.000 1.099 305 Q CA -1.093 54.776 55.803 0.110 0.000 0.814 305 Q CB 2.037 30.834 28.738 0.097 0.000 1.379 305 Q HN -0.096 nan 8.270 nan 0.000 0.436 306 K N 0.330 120.763 120.400 0.054 0.000 2.177 306 K HA 0.627 4.949 4.320 0.004 0.000 0.238 306 K C -0.242 176.381 176.600 0.038 0.000 1.015 306 K CA -0.580 55.712 56.287 0.007 0.000 0.922 306 K CB 0.630 33.124 32.500 -0.009 0.000 1.127 306 K HN 0.732 nan 8.250 nan 0.000 0.469 307 A N 0.418 123.233 122.820 -0.009 0.000 2.386 307 A HA 0.092 4.414 4.320 0.004 0.000 0.246 307 A C 0.637 178.316 177.584 0.159 0.000 1.089 307 A CA 0.054 52.100 52.037 0.014 0.000 0.790 307 A CB -0.244 18.713 19.000 -0.072 0.000 1.042 307 A HN 0.598 nan 8.150 nan 0.000 0.497 308 Y N 1.162 121.450 120.300 -0.021 0.000 2.102 308 Y HA -0.264 4.288 4.550 0.002 0.000 0.280 308 Y C 3.063 178.958 175.900 -0.009 0.000 1.178 308 Y CA 1.929 60.019 58.100 -0.016 0.000 1.146 308 Y CB -1.523 36.930 38.460 -0.011 0.000 0.968 308 Y HN 0.788 nan 8.280 nan 0.000 0.504 309 S N -0.402 115.392 115.700 0.158 0.000 2.462 309 S HA -0.144 4.328 4.470 0.004 0.000 0.243 309 S C 1.392 176.038 174.600 0.076 0.000 1.003 309 S CA 1.264 59.518 58.200 0.089 0.000 0.970 309 S CB -0.750 62.477 63.200 0.045 0.000 0.762 309 S HN 0.488 nan 8.310 nan 0.000 0.510 310 L N -0.184 121.087 121.223 0.080 0.000 3.066 310 L HA 0.496 4.838 4.340 0.004 0.000 0.265 310 L C 1.877 178.806 176.870 0.099 0.000 1.232 310 L CA -0.137 54.757 54.840 0.090 0.000 1.031 310 L CB 0.221 42.312 42.059 0.054 0.000 1.379 310 L HN 0.266 nan 8.230 nan 0.000 0.563 311 R N -0.316 120.218 120.500 0.058 0.000 2.851 311 R HA 0.229 4.571 4.340 0.004 0.000 0.177 311 R C 1.305 177.542 176.300 -0.105 0.000 0.888 311 R CA 0.725 56.785 56.100 -0.066 0.000 1.326 311 R CB 0.206 30.485 30.300 -0.034 0.000 1.668 311 R HN 0.097 nan 8.270 nan 0.000 0.575 312 A N 1.209 124.004 122.820 -0.041 0.000 2.359 312 A HA 0.225 4.548 4.320 0.004 0.000 0.240 312 A C 1.323 178.909 177.584 0.003 0.000 1.306 312 A CA -0.105 51.890 52.037 -0.070 0.000 0.898 312 A CB -0.535 18.385 19.000 -0.132 0.000 0.956 312 A HN 0.296 nan 8.150 nan 0.000 0.497 313 I N 0.265 120.875 120.570 0.066 0.000 2.179 313 I HA -0.164 4.008 4.170 0.004 0.000 0.242 313 I C -0.573 175.595 176.117 0.085 0.000 1.088 313 I CA 1.348 62.717 61.300 0.114 0.000 1.357 313 I CB -0.919 37.224 38.000 0.238 0.000 1.051 313 I HN 0.206 nan 8.210 nan 0.000 0.409 314 P HA -0.172 nan 4.420 nan 0.000 0.215 314 P C 1.447 178.757 177.300 0.018 0.000 1.153 314 P CA 1.351 64.459 63.100 0.013 0.000 0.853 314 P CB 0.031 31.671 31.700 -0.100 0.000 0.788 315 Q N -0.917 118.903 119.800 0.033 0.000 2.046 315 Q HA -0.089 4.253 4.340 0.004 0.000 0.200 315 Q C 2.132 178.115 176.000 -0.028 0.000 0.975 315 Q CA 1.341 57.149 55.803 0.009 0.000 0.836 315 Q CB -1.402 27.326 28.738 -0.016 0.000 0.896 315 Q HN 0.097 nan 8.270 nan 0.000 0.428 316 V N -0.526 119.375 119.914 -0.021 0.000 2.255 316 V HA -0.167 3.955 4.120 0.004 0.000 0.243 316 V C 2.080 178.157 176.094 -0.028 0.000 1.038 316 V CA 1.357 63.642 62.300 -0.025 0.000 1.008 316 V CB -0.562 31.258 31.823 -0.004 0.000 0.645 316 V HN 0.158 nan 8.190 nan 0.000 0.449 317 V N 1.174 121.080 119.914 -0.013 0.000 2.490 317 V HA -0.144 3.978 4.120 0.004 0.000 0.250 317 V C 2.615 178.678 176.094 -0.052 0.000 1.061 317 V CA 1.978 64.264 62.300 -0.023 0.000 1.064 317 V CB -1.443 30.377 31.823 -0.005 0.000 0.670 317 V HN 0.619 nan 8.190 nan 0.000 0.461 318 G N -0.128 108.646 108.800 -0.043 0.000 2.418 318 G HA2 -0.199 3.764 3.960 0.004 0.000 0.217 318 G HA3 -0.199 3.764 3.960 0.004 0.000 0.217 318 G C 1.755 176.594 174.900 -0.102 0.000 1.158 318 G CA 0.993 46.061 45.100 -0.054 0.000 0.771 318 G HN 0.601 nan 8.290 nan 0.000 0.545 319 A N 0.086 122.842 122.820 -0.108 0.000 1.933 319 A HA 0.110 4.433 4.320 0.004 0.000 0.218 319 A C 2.595 180.100 177.584 -0.130 0.000 1.175 319 A CA 1.719 53.672 52.037 -0.141 0.000 0.628 319 A CB -0.518 18.401 19.000 -0.134 0.000 0.814 319 A HN 0.246 nan 8.150 nan 0.000 0.444 320 V N -0.084 119.766 119.914 -0.108 0.000 2.295 320 V HA -0.273 3.849 4.120 0.004 0.000 0.246 320 V C 2.622 178.612 176.094 -0.173 0.000 1.049 320 V CA 2.257 64.499 62.300 -0.097 0.000 1.024 320 V CB -0.808 30.979 31.823 -0.059 0.000 0.648 320 V HN 0.528 nan 8.190 nan 0.000 0.447 321 R N -0.142 120.200 120.500 -0.263 0.000 2.083 321 R HA -0.194 4.148 4.340 0.004 0.000 0.237 321 R C 2.151 177.934 176.300 -0.861 0.000 1.137 321 R CA 1.924 57.669 56.100 -0.591 0.000 0.951 321 R CB -0.515 29.447 30.300 -0.563 0.000 0.851 321 R HN 0.517 nan 8.270 nan 0.000 0.434 322 D N -0.411 119.721 120.400 -0.446 0.000 2.133 322 D HA -0.134 4.508 4.640 0.004 0.000 0.195 322 D C 1.810 178.075 176.300 -0.058 0.000 0.997 322 D CA 1.677 55.570 54.000 -0.179 0.000 0.840 322 D CB -0.331 40.429 40.800 -0.065 0.000 0.947 322 D HN 0.224 nan 8.370 nan 0.000 0.452 323 T N 1.033 115.544 114.554 -0.073 0.000 2.746 323 T HA -0.069 4.284 4.350 0.004 0.000 0.267 323 T C 2.216 176.989 174.700 0.122 0.000 1.039 323 T CA 0.562 62.689 62.100 0.045 0.000 1.142 323 T CB -0.226 68.660 68.868 0.029 0.000 0.866 323 T HN 0.148 nan 8.240 nan 0.000 0.444 324 L N -0.427 120.797 121.223 0.002 0.000 2.141 324 L HA -0.063 4.279 4.340 0.004 0.000 0.209 324 L C 2.486 179.468 176.870 0.187 0.000 1.094 324 L CA 1.188 56.060 54.840 0.055 0.000 0.763 324 L CB -0.627 41.414 42.059 -0.029 0.000 0.908 324 L HN 0.251 nan 8.230 nan 0.000 0.437 325 Y N -1.041 119.336 120.300 0.129 0.000 2.200 325 Y HA -0.237 4.315 4.550 0.004 0.000 0.290 325 Y C 2.786 178.792 175.900 0.177 0.000 1.137 325 Y CA 0.970 59.144 58.100 0.123 0.000 1.163 325 Y CB -1.171 37.348 38.460 0.098 0.000 0.988 325 Y HN 0.263 nan 8.280 nan 0.000 0.518 326 H N 0.016 119.254 119.070 0.280 0.000 2.353 326 H HA -0.114 4.445 4.556 0.005 0.000 0.300 326 H C 2.121 177.595 175.328 0.243 0.000 1.090 326 H CA 1.383 57.587 56.048 0.260 0.000 1.327 326 H CB 0.059 29.953 29.762 0.219 0.000 1.383 326 H HN 0.293 nan 8.280 nan 0.000 0.508 327 A N 1.450 124.411 122.820 0.236 0.000 1.877 327 A HA -0.170 4.152 4.320 0.004 0.000 0.216 327 A C 2.598 180.228 177.584 0.078 0.000 1.186 327 A CA 1.490 53.606 52.037 0.133 0.000 0.620 327 A CB -0.693 18.406 19.000 0.165 0.000 0.822 327 A HN 0.449 nan 8.150 nan 0.000 0.443 328 R N -1.268 119.313 120.500 0.134 0.000 2.096 328 R HA -0.196 4.146 4.340 0.004 0.000 0.235 328 R C 2.207 178.577 176.300 0.117 0.000 1.127 328 R CA 1.720 57.891 56.100 0.119 0.000 0.968 328 R CB -0.520 29.872 30.300 0.153 0.000 0.861 328 R HN 0.850 nan 8.270 nan 0.000 0.440 329 H N 0.256 119.332 119.070 0.011 0.000 2.321 329 H HA -0.098 4.460 4.556 0.003 0.000 0.300 329 H C 1.405 176.700 175.328 -0.055 0.000 1.087 329 H CA 1.355 57.390 56.048 -0.021 0.000 1.319 329 H CB 0.309 30.055 29.762 -0.026 0.000 1.379 329 H HN 0.041 nan 8.280 nan 0.000 0.501 330 K N 0.784 121.052 120.400 -0.220 0.000 2.057 330 K HA -0.118 4.204 4.320 0.004 0.000 0.207 330 K C 2.517 179.036 176.600 -0.136 0.000 1.049 330 K CA 0.703 56.834 56.287 -0.259 0.000 0.931 330 K CB -0.488 31.888 32.500 -0.206 0.000 0.714 330 K HN 0.383 nan 8.250 nan 0.000 0.440 331 L N 0.380 121.566 121.223 -0.062 0.000 2.083 331 L HA -0.129 4.213 4.340 0.004 0.000 0.209 331 L C 2.817 179.673 176.870 -0.023 0.000 1.083 331 L CA 1.085 55.908 54.840 -0.029 0.000 0.752 331 L CB -0.324 41.736 42.059 0.001 0.000 0.899 331 L HN 0.184 nan 8.230 nan 0.000 0.433 332 R N 0.630 121.124 120.500 -0.010 0.000 2.075 332 R HA -0.146 4.196 4.340 0.004 0.000 0.232 332 R C 2.293 178.583 176.300 -0.017 0.000 1.126 332 R CA 1.375 57.479 56.100 0.008 0.000 0.963 332 R CB -0.180 30.152 30.300 0.053 0.000 0.858 332 R HN 0.272 nan 8.270 nan 0.000 0.435 333 I N 0.580 121.109 120.570 -0.069 0.000 2.179 333 I HA -0.240 3.932 4.170 0.004 0.000 0.242 333 I C 2.382 178.469 176.117 -0.050 0.000 1.088 333 I CA 1.400 62.653 61.300 -0.078 0.000 1.357 333 I CB -0.287 37.612 38.000 -0.168 0.000 1.051 333 I HN 0.257 nan 8.210 nan 0.000 0.409 334 E N 1.414 121.580 120.200 -0.055 0.000 2.051 334 E HA -0.206 4.146 4.350 0.004 0.000 0.192 334 E C 2.180 178.772 176.600 -0.014 0.000 0.991 334 E CA 1.442 57.823 56.400 -0.032 0.000 0.799 334 E CB -0.353 29.326 29.700 -0.034 0.000 0.748 334 E HN 0.367 nan 8.360 nan 0.000 0.449 335 L N 0.497 121.712 121.223 -0.013 0.000 2.081 335 L HA -0.182 4.161 4.340 0.004 0.000 0.212 335 L C 0.913 177.785 176.870 0.003 0.000 1.080 335 L CA 1.182 56.019 54.840 -0.005 0.000 0.754 335 L CB -0.311 41.747 42.059 -0.002 0.000 0.893 335 L HN 0.174 nan 8.230 nan 0.000 0.433 336 N N 0.084 118.787 118.700 0.005 0.000 2.546 336 N HA 0.084 4.826 4.740 0.004 0.000 0.286 336 N C -0.295 175.228 175.510 0.022 0.000 1.259 336 N CA 0.100 53.159 53.050 0.015 0.000 0.939 336 N CB 0.655 39.152 38.487 0.017 0.000 1.243 336 N HN 0.226 nan 8.380 nan 0.000 0.511 337 S N -1.240 114.472 115.700 0.020 0.000 2.634 337 S HA 0.707 5.180 4.470 0.004 0.000 0.296 337 S C -0.246 174.380 174.600 0.043 0.000 1.104 337 S CA -0.891 57.325 58.200 0.026 0.000 0.920 337 S CB 2.362 65.565 63.200 0.005 0.000 1.111 337 S HN 0.099 nan 8.310 nan 0.000 0.493 338 A N 2.734 125.586 122.820 0.053 0.000 3.078 338 A HA 0.307 4.629 4.320 0.004 0.000 0.279 338 A C 0.548 178.167 177.584 0.058 0.000 1.594 338 A CA -0.893 51.183 52.037 0.066 0.000 1.301 338 A CB -1.140 17.906 19.000 0.077 0.000 1.162 338 A HN 0.746 nan 8.150 nan 0.000 0.585 339 N N 1.567 120.300 118.700 0.054 0.000 2.739 339 N HA 0.222 4.964 4.740 0.004 0.000 0.266 339 N C -0.980 174.595 175.510 0.108 0.000 1.168 339 N CA 0.024 53.116 53.050 0.071 0.000 1.055 339 N CB 0.740 39.262 38.487 0.058 0.000 1.393 339 N HN 0.526 nan 8.380 nan 0.000 0.514 340 D N 0.588 121.068 120.400 0.134 0.000 2.671 340 D HA 0.447 5.089 4.640 0.004 0.000 0.273 340 D C -1.889 174.536 176.300 0.210 0.000 1.264 340 D CA -0.544 53.554 54.000 0.164 0.000 0.788 340 D CB 1.544 42.394 40.800 0.084 0.000 1.324 340 D HN 0.400 nan 8.370 nan 0.000 0.424 341 N N 0.070 118.910 118.700 0.233 0.000 2.555 341 N HA 0.437 5.179 4.740 0.004 0.000 0.265 341 N C -2.957 172.658 175.510 0.174 0.000 1.135 341 N CA -1.039 52.142 53.050 0.219 0.000 0.925 341 N CB 2.702 41.413 38.487 0.374 0.000 1.662 341 N HN 0.116 nan 8.380 nan 0.000 0.489 342 P HA 0.311 nan 4.420 nan 0.000 0.276 342 P C -0.872 176.428 177.300 0.001 0.000 1.261 342 P CA -0.366 62.654 63.100 -0.134 0.000 0.800 342 P CB 1.289 32.666 31.700 -0.539 0.000 1.066 343 L N -0.014 121.278 121.223 0.115 0.000 2.333 343 L HA 0.535 4.877 4.340 0.004 0.000 0.269 343 L C -0.107 176.796 176.870 0.055 0.000 1.010 343 L CA -1.001 53.889 54.840 0.084 0.000 0.818 343 L CB 1.503 43.640 42.059 0.130 0.000 1.306 343 L HN 0.305 nan 8.230 nan 0.000 0.430 344 F N 1.773 121.548 119.950 -0.293 0.000 2.458 344 F HA 0.629 5.158 4.527 0.004 0.000 0.336 344 F C -1.318 174.218 175.800 -0.441 0.000 1.114 344 F CA -0.608 57.273 58.000 -0.199 0.000 0.987 344 F CB 1.048 39.992 39.000 -0.093 0.000 1.130 344 F HN 0.081 nan 8.300 nan 0.000 0.458 345 F N 4.708 124.316 119.950 -0.570 0.000 2.539 345 F HA 0.248 4.777 4.527 0.004 0.000 0.328 345 F C 0.031 175.411 175.800 -0.702 0.000 1.148 345 F CA -0.990 56.797 58.000 -0.354 0.000 0.940 345 F CB 1.257 40.150 39.000 -0.177 0.000 1.194 345 F HN 0.402 nan 8.300 nan 0.000 0.438 346 E N 1.902 121.929 120.200 -0.289 0.000 2.652 346 E HA 0.149 4.501 4.350 0.004 0.000 0.255 346 E C 1.190 177.747 176.600 -0.070 0.000 0.952 346 E CA 1.516 57.836 56.400 -0.133 0.000 0.947 346 E CB 0.613 30.398 29.700 0.142 0.000 0.912 346 E HN 0.991 nan 8.360 nan 0.000 0.489 347 G N 3.930 112.695 108.800 -0.058 0.000 2.179 347 G HA2 -0.289 3.674 3.960 0.004 0.000 0.260 347 G HA3 -0.289 3.674 3.960 0.004 0.000 0.260 347 G C 0.128 175.012 174.900 -0.027 0.000 0.977 347 G CA 0.825 45.916 45.100 -0.015 0.000 0.641 347 G HN 0.505 nan 8.290 nan 0.000 0.533 348 K N -0.204 120.159 120.400 -0.062 0.000 2.395 348 K HA 0.579 4.901 4.320 0.004 0.000 0.245 348 K C -0.158 176.450 176.600 0.013 0.000 1.017 348 K CA -1.091 55.188 56.287 -0.013 0.000 0.852 348 K CB 1.383 33.888 32.500 0.008 0.000 1.311 348 K HN 0.049 nan 8.250 nan 0.000 0.452 349 E N 1.156 121.396 120.200 0.067 0.000 2.392 349 E HA 0.098 4.451 4.350 0.004 0.000 0.259 349 E C 0.021 176.738 176.600 0.194 0.000 1.108 349 E CA -0.020 56.447 56.400 0.111 0.000 0.916 349 E CB 0.588 30.348 29.700 0.101 0.000 0.989 349 E HN 0.377 nan 8.360 nan 0.000 0.432 350 I N 2.845 123.568 120.570 0.255 0.000 2.581 350 I HA -0.110 4.062 4.170 0.004 0.000 0.285 350 I C 0.633 177.011 176.117 0.434 0.000 1.129 350 I CA -0.011 61.496 61.300 0.347 0.000 1.397 350 I CB -0.193 38.058 38.000 0.419 0.000 1.399 350 I HN 0.312 nan 8.210 nan 0.000 0.537 351 F N 7.861 127.969 119.950 0.263 0.000 2.533 351 F HA 0.079 4.608 4.527 0.003 0.000 0.378 351 F C 0.104 175.994 175.800 0.151 0.000 1.070 351 F CA -0.028 58.118 58.000 0.244 0.000 1.172 351 F CB -0.107 39.084 39.000 0.318 0.000 1.085 351 F HN 0.362 nan 8.300 nan 0.000 0.552 352 H N 5.124 123.858 119.070 -0.559 0.000 2.683 352 H HA 0.501 5.059 4.556 0.004 0.000 0.270 352 H C 0.518 175.360 175.328 -0.809 0.000 1.201 352 H CA -0.080 55.686 56.048 -0.471 0.000 1.277 352 H CB 0.693 30.333 29.762 -0.203 0.000 1.400 352 H HN 0.770 nan 8.280 nan 0.000 0.504 353 G N 0.636 108.909 108.800 -0.878 0.000 3.291 353 G HA2 0.589 4.551 3.960 0.004 0.000 0.173 353 G HA3 0.589 4.551 3.960 0.004 0.000 0.173 353 G C -0.674 174.019 174.900 -0.346 0.000 1.099 353 G CA -0.241 44.480 45.100 -0.632 0.000 0.794 353 G HN 0.504 nan 8.290 nan 0.000 0.651 354 A N -0.464 122.132 122.820 -0.373 0.000 3.106 354 A HA 0.397 4.719 4.320 0.004 0.000 0.227 354 A C 0.466 177.565 177.584 -0.809 0.000 0.920 354 A CA -0.309 51.144 52.037 -0.974 0.000 1.088 354 A CB -0.525 18.103 19.000 -0.620 0.000 1.233 354 A HN 0.479 nan 8.150 nan 0.000 0.503 355 N N 0.046 118.507 118.700 -0.399 0.000 2.571 355 N HA -0.040 4.702 4.740 0.004 0.000 0.189 355 N C 0.956 176.412 175.510 -0.090 0.000 1.154 355 N CA 1.042 54.006 53.050 -0.142 0.000 0.907 355 N CB -0.198 38.308 38.487 0.031 0.000 0.977 355 N HN 0.772 nan 8.380 nan 0.000 0.449 356 F N -1.163 118.846 119.950 0.097 0.000 2.789 356 F HA 0.204 4.733 4.527 0.003 0.000 0.300 356 F C 0.868 176.694 175.800 0.042 0.000 1.132 356 F CA -0.280 57.754 58.000 0.056 0.000 1.404 356 F CB -0.811 38.216 39.000 0.045 0.000 1.114 356 F HN 0.012 nan 8.300 nan 0.000 0.584 357 H N 1.957 121.043 119.070 0.026 0.000 2.944 357 H HA 0.267 4.825 4.556 0.003 0.000 0.278 357 H C 1.160 176.490 175.328 0.003 0.000 1.083 357 H CA 0.174 56.269 56.048 0.079 0.000 1.479 357 H CB 1.370 31.091 29.762 -0.067 0.000 1.486 357 H HN 0.376 nan 8.280 nan 0.000 0.493 358 G N 3.802 112.617 108.800 0.025 0.000 3.210 358 G HA2 -0.139 3.824 3.960 0.004 0.000 0.220 358 G HA3 -0.139 3.824 3.960 0.004 0.000 0.220 358 G C 1.332 176.219 174.900 -0.022 0.000 1.200 358 G CA -0.164 44.941 45.100 0.008 0.000 0.834 358 G HN 0.520 nan 8.290 nan 0.000 0.524 359 Q N 1.516 121.363 119.800 0.077 0.000 2.096 359 Q HA -0.125 4.217 4.340 0.004 0.000 0.208 359 Q C 0.295 176.084 176.000 -0.353 0.000 0.993 359 Q CA 2.309 57.980 55.803 -0.220 0.000 0.862 359 Q CB -0.572 28.017 28.738 -0.248 0.000 0.915 359 Q HN 0.426 nan 8.270 nan 0.000 0.416 360 P HA -0.142 nan 4.420 nan 0.000 0.218 360 P C 0.812 178.085 177.300 -0.045 0.000 1.149 360 P CA 1.092 64.163 63.100 -0.048 0.000 0.817 360 P CB 0.003 31.693 31.700 -0.017 0.000 0.785 361 I N -0.072 120.456 120.570 -0.071 0.000 2.480 361 I HA -0.016 4.156 4.170 0.004 0.000 0.251 361 I C 2.589 178.655 176.117 -0.085 0.000 1.124 361 I CA 0.581 61.845 61.300 -0.059 0.000 1.444 361 I CB -1.974 36.001 38.000 -0.042 0.000 1.098 361 I HN -0.101 nan 8.210 nan 0.000 0.428 362 A N 1.344 124.088 122.820 -0.127 0.000 1.865 362 A HA -0.222 4.101 4.320 0.004 0.000 0.217 362 A C 2.152 179.660 177.584 -0.126 0.000 1.191 362 A CA 1.611 53.570 52.037 -0.130 0.000 0.623 362 A CB -0.921 17.968 19.000 -0.185 0.000 0.826 362 A HN 0.249 nan 8.150 nan 0.000 0.444 363 F N 0.079 119.855 119.950 -0.291 0.000 2.075 363 F HA -0.098 4.432 4.527 0.005 0.000 0.297 363 F C 2.939 178.009 175.800 -1.216 0.000 1.113 363 F CA 0.434 57.995 58.000 -0.733 0.000 1.218 363 F CB -1.347 37.359 39.000 -0.490 0.000 0.984 363 F HN 0.283 nan 8.300 nan 0.000 0.472 364 A N -0.104 122.501 122.820 -0.358 0.000 1.892 364 A HA -0.246 4.077 4.320 0.004 0.000 0.218 364 A C 2.227 179.757 177.584 -0.090 0.000 1.188 364 A CA 2.131 54.087 52.037 -0.135 0.000 0.631 364 A CB -0.652 18.363 19.000 0.024 0.000 0.822 364 A HN 0.235 nan 8.150 nan 0.000 0.447 365 M N -0.534 119.013 119.600 -0.089 0.000 2.200 365 M HA -0.064 4.418 4.480 0.004 0.000 0.265 365 M C 1.439 177.738 176.300 -0.001 0.000 1.066 365 M CA 1.183 56.474 55.300 -0.015 0.000 1.127 365 M CB -1.575 31.021 32.600 -0.006 0.000 1.379 365 M HN 0.311 nan 8.290 nan 0.000 0.420 366 D N 0.220 120.576 120.400 -0.072 0.000 2.117 366 D HA -0.117 4.525 4.640 0.004 0.000 0.197 366 D C 1.868 178.278 176.300 0.183 0.000 0.987 366 D CA 1.128 55.145 54.000 0.028 0.000 0.829 366 D CB -0.147 40.667 40.800 0.023 0.000 0.961 366 D HN 0.203 nan 8.370 nan 0.000 0.460 367 F N 0.412 120.420 119.950 0.097 0.000 2.171 367 F HA -0.086 4.443 4.527 0.004 0.000 0.300 367 F C 2.521 178.352 175.800 0.053 0.000 1.090 367 F CA 0.135 58.172 58.000 0.061 0.000 1.293 367 F CB -1.270 37.773 39.000 0.071 0.000 1.013 367 F HN -0.126 nan 8.300 nan 0.000 0.486 368 V N -0.344 119.711 119.914 0.235 0.000 2.407 368 V HA -0.275 3.847 4.120 0.004 0.000 0.248 368 V C 2.299 178.458 176.094 0.110 0.000 1.055 368 V CA 2.283 64.670 62.300 0.145 0.000 1.049 368 V CB -1.106 30.782 31.823 0.109 0.000 0.662 368 V HN 0.359 nan 8.190 nan 0.000 0.455 369 T N 0.298 114.917 114.554 0.108 0.000 2.684 369 T HA -0.163 4.189 4.350 0.004 0.000 0.267 369 T C 1.801 176.552 174.700 0.084 0.000 1.036 369 T CA 1.893 64.045 62.100 0.087 0.000 1.148 369 T CB -0.269 68.650 68.868 0.083 0.000 0.863 369 T HN 0.351 nan 8.240 nan 0.000 0.436 370 I N 1.128 121.761 120.570 0.106 0.000 2.179 370 I HA -0.168 4.005 4.170 0.004 0.000 0.242 370 I C 2.912 179.062 176.117 0.055 0.000 1.088 370 I CA 1.140 62.488 61.300 0.081 0.000 1.357 370 I CB -0.479 37.576 38.000 0.092 0.000 1.051 370 I HN 0.190 nan 8.210 nan 0.000 0.409 371 A N 0.882 123.737 122.820 0.059 0.000 1.877 371 A HA -0.167 4.156 4.320 0.004 0.000 0.216 371 A C 2.299 179.900 177.584 0.027 0.000 1.186 371 A CA 1.444 53.499 52.037 0.029 0.000 0.620 371 A CB -0.922 18.094 19.000 0.027 0.000 0.822 371 A HN 0.386 nan 8.150 nan 0.000 0.443 372 L N -0.657 120.591 121.223 0.042 0.000 2.131 372 L HA -0.150 4.192 4.340 0.004 0.000 0.210 372 L C 2.704 179.596 176.870 0.038 0.000 1.092 372 L CA 1.618 56.481 54.840 0.039 0.000 0.759 372 L CB -0.816 41.272 42.059 0.047 0.000 0.903 372 L HN 0.366 nan 8.230 nan 0.000 0.435 373 T N -1.255 113.324 114.554 0.041 0.000 2.788 373 T HA -0.260 4.093 4.350 0.004 0.000 0.268 373 T C 1.829 176.548 174.700 0.032 0.000 1.044 373 T CA 1.387 63.510 62.100 0.038 0.000 1.139 373 T CB -0.099 68.793 68.868 0.040 0.000 0.867 373 T HN 0.201 nan 8.240 nan 0.000 0.454 374 Q N 0.558 120.374 119.800 0.026 0.000 2.172 374 Q HA 0.044 4.386 4.340 0.004 0.000 0.200 374 Q C 2.050 178.062 176.000 0.021 0.000 0.964 374 Q CA 0.884 56.699 55.803 0.020 0.000 0.855 374 Q CB -0.612 28.131 28.738 0.008 0.000 0.918 374 Q HN 0.411 nan 8.270 nan 0.000 0.444 375 L N -0.343 120.892 121.223 0.020 0.000 2.042 375 L HA -0.005 4.337 4.340 0.004 0.000 0.210 375 L C 1.975 178.862 176.870 0.029 0.000 1.076 375 L CA 2.406 57.259 54.840 0.022 0.000 0.749 375 L CB -1.058 41.014 42.059 0.023 0.000 0.893 375 L HN 0.310 nan 8.230 nan 0.000 0.432 376 G N -1.437 107.384 108.800 0.034 0.000 2.402 376 G HA2 -0.169 3.793 3.960 0.004 0.000 0.216 376 G HA3 -0.169 3.793 3.960 0.004 0.000 0.216 376 G C 1.555 176.477 174.900 0.037 0.000 1.162 376 G CA 0.885 46.008 45.100 0.039 0.000 0.777 376 G HN 0.312 nan 8.290 nan 0.000 0.539 377 V N 0.755 120.690 119.914 0.034 0.000 2.287 377 V HA -0.172 3.951 4.120 0.004 0.000 0.248 377 V C 2.705 178.819 176.094 0.034 0.000 1.053 377 V CA 1.766 64.087 62.300 0.035 0.000 1.027 377 V CB -0.460 31.383 31.823 0.032 0.000 0.646 377 V HN 0.363 nan 8.190 nan 0.000 0.447 378 L N 0.827 122.069 121.223 0.032 0.000 2.017 378 L HA -0.070 4.272 4.340 0.004 0.000 0.208 378 L C 2.446 179.331 176.870 0.026 0.000 1.073 378 L CA 2.432 57.291 54.840 0.032 0.000 0.745 378 L CB -1.074 41.003 42.059 0.030 0.000 0.894 378 L HN 0.226 nan 8.230 nan 0.000 0.432 379 A N -1.059 121.775 122.820 0.024 0.000 1.933 379 A HA -0.215 4.107 4.320 0.004 0.000 0.218 379 A C 2.320 179.915 177.584 0.019 0.000 1.175 379 A CA 1.688 53.735 52.037 0.017 0.000 0.628 379 A CB -0.670 18.347 19.000 0.027 0.000 0.814 379 A HN 0.573 nan 8.150 nan 0.000 0.444 380 E N -0.128 120.090 120.200 0.030 0.000 2.107 380 E HA -0.160 4.192 4.350 0.004 0.000 0.191 380 E C 2.019 178.636 176.600 0.028 0.000 0.982 380 E CA 0.631 57.052 56.400 0.035 0.000 0.809 380 E CB -0.177 29.550 29.700 0.045 0.000 0.756 380 E HN 0.355 nan 8.360 nan 0.000 0.459 381 R N 0.431 120.946 120.500 0.025 0.000 2.148 381 R HA -0.045 4.297 4.340 0.004 0.000 0.227 381 R C 2.306 178.608 176.300 0.004 0.000 1.103 381 R CA 0.805 56.916 56.100 0.018 0.000 0.983 381 R CB -0.360 29.953 30.300 0.022 0.000 0.874 381 R HN 0.393 nan 8.270 nan 0.000 0.451 382 Q N -0.042 119.758 119.800 0.001 0.000 2.119 382 Q HA -0.009 4.333 4.340 0.004 0.000 0.201 382 Q C 2.171 178.152 176.000 -0.032 0.000 0.972 382 Q CA 0.971 56.764 55.803 -0.017 0.000 0.847 382 Q CB -0.046 28.679 28.738 -0.021 0.000 0.903 382 Q HN 0.298 nan 8.270 nan 0.000 0.433 383 I N 0.971 121.528 120.570 -0.021 0.000 2.226 383 I HA -0.282 3.890 4.170 0.004 0.000 0.245 383 I C 2.143 178.246 176.117 -0.023 0.000 1.100 383 I CA 1.076 62.361 61.300 -0.024 0.000 1.374 383 I CB -0.257 37.748 38.000 0.008 0.000 1.057 383 I HN 0.251 nan 8.210 nan 0.000 0.413 384 N N 0.983 119.681 118.700 -0.005 0.000 2.149 384 N HA -0.242 4.500 4.740 0.004 0.000 0.188 384 N C 1.923 177.405 175.510 -0.046 0.000 1.019 384 N CA 1.344 54.391 53.050 -0.005 0.000 0.857 384 N CB -0.066 38.430 38.487 0.015 0.000 0.997 384 N HN 0.044 nan 8.380 nan 0.000 0.426 385 R N -0.193 120.279 120.500 -0.047 0.000 2.083 385 R HA -0.028 4.315 4.340 0.004 0.000 0.237 385 R C 2.083 178.331 176.300 -0.087 0.000 1.137 385 R CA 1.264 57.327 56.100 -0.063 0.000 0.951 385 R CB -0.907 29.363 30.300 -0.048 0.000 0.851 385 R HN 0.211 nan 8.270 nan 0.000 0.434 386 V N 0.027 119.886 119.914 -0.091 0.000 2.719 386 V HA -0.035 4.087 4.120 0.004 0.000 0.252 386 V C 1.695 177.697 176.094 -0.153 0.000 1.065 386 V CA 1.375 63.607 62.300 -0.113 0.000 1.086 386 V CB -0.084 31.667 31.823 -0.120 0.000 0.700 386 V HN 0.350 nan 8.190 nan 0.000 0.467 387 L N 0.108 121.236 121.223 -0.158 0.000 2.418 387 L HA 0.130 4.473 4.340 0.004 0.000 0.218 387 L C 1.043 177.615 176.870 -0.496 0.000 1.125 387 L CA 0.286 54.987 54.840 -0.231 0.000 0.835 387 L CB -0.356 41.664 42.059 -0.066 0.000 0.953 387 L HN 0.303 nan 8.230 nan 0.000 0.454 388 N N 1.217 119.702 118.700 -0.358 0.000 2.420 388 N HA 0.034 4.776 4.740 0.004 0.000 0.249 388 N C 1.208 176.521 175.510 -0.328 0.000 1.033 388 N CA -0.129 52.686 53.050 -0.393 0.000 0.944 388 N CB 1.124 39.496 38.487 -0.191 0.000 1.113 388 N HN 0.226 nan 8.380 nan 0.000 0.502 389 R N 3.363 123.603 120.500 -0.433 0.000 2.103 389 R HA -0.174 4.168 4.340 0.004 0.000 0.242 389 R C 0.749 176.905 176.300 -0.240 0.000 1.142 389 R CA 1.664 57.558 56.100 -0.344 0.000 0.960 389 R CB -0.674 29.387 30.300 -0.398 0.000 0.858 389 R HN 0.638 nan 8.270 nan 0.000 0.439 390 H N 0.041 119.053 119.070 -0.098 0.000 2.521 390 H HA 0.094 4.653 4.556 0.004 0.000 0.286 390 H C 1.634 176.915 175.328 -0.077 0.000 1.034 390 H CA 1.076 57.088 56.048 -0.060 0.000 1.278 390 H CB 0.173 29.911 29.762 -0.041 0.000 1.386 390 H HN 0.190 nan 8.280 nan 0.000 0.567 391 L N -0.305 120.907 121.223 -0.017 0.000 2.537 391 L HA 0.118 4.461 4.340 0.004 0.000 0.224 391 L C 0.920 177.744 176.870 -0.078 0.000 1.065 391 L CA -0.197 54.603 54.840 -0.066 0.000 0.860 391 L CB 0.253 42.269 42.059 -0.072 0.000 1.086 391 L HN 0.089 nan 8.230 nan 0.000 0.482 392 S N -0.854 114.799 115.700 -0.078 0.000 2.584 392 S HA 0.156 4.629 4.470 0.004 0.000 0.273 392 S C -0.597 174.013 174.600 0.017 0.000 1.311 392 S CA -0.406 57.766 58.200 -0.048 0.000 1.034 392 S CB 0.708 63.853 63.200 -0.092 0.000 0.939 392 S HN 0.162 nan 8.310 nan 0.000 0.513 393 Y N 2.636 122.888 120.300 -0.079 0.000 2.600 393 Y HA 0.432 4.984 4.550 0.004 0.000 0.351 393 Y C 1.148 177.023 175.900 -0.041 0.000 1.042 393 Y CA -0.096 57.973 58.100 -0.051 0.000 1.333 393 Y CB -0.571 37.866 38.460 -0.039 0.000 1.172 393 Y HN 1.269 nan 8.280 nan 0.000 0.517 394 G N 6.380 114.947 108.800 -0.389 0.000 2.359 394 G HA2 -0.227 3.736 3.960 0.004 0.000 0.298 394 G HA3 -0.227 3.736 3.960 0.004 0.000 0.298 394 G C -0.933 173.832 174.900 -0.225 0.000 1.030 394 G CA 0.436 45.301 45.100 -0.391 0.000 1.149 394 G HN 0.669 nan 8.290 nan 0.000 0.512 395 L N 0.620 121.750 121.223 -0.154 0.000 2.422 395 L HA 0.557 4.899 4.340 0.004 0.000 0.264 395 L C -1.740 175.063 176.870 -0.113 0.000 0.984 395 L CA -2.390 52.380 54.840 -0.117 0.000 0.819 395 L CB 2.618 44.614 42.059 -0.104 0.000 1.330 395 L HN 0.056 nan 8.230 nan 0.000 0.410 396 P HA 0.033 nan 4.420 nan 0.000 0.270 396 P C -0.896 176.348 177.300 -0.092 0.000 1.223 396 P CA -0.383 62.676 63.100 -0.068 0.000 0.785 396 P CB 0.434 32.119 31.700 -0.026 0.000 0.923 397 E N 1.760 121.907 120.200 -0.089 0.000 2.465 397 E HA -0.091 4.262 4.350 0.004 0.000 0.260 397 E C -0.198 176.404 176.600 0.003 0.000 0.980 397 E CA -0.265 56.034 56.400 -0.168 0.000 0.927 397 E CB -0.364 29.313 29.700 -0.038 0.000 0.934 397 E HN 0.436 nan 8.360 nan 0.000 0.459 398 F N 1.295 121.233 119.950 -0.019 0.000 3.097 398 F HA -0.271 4.258 4.527 0.003 0.000 0.278 398 F C 0.857 176.689 175.800 0.054 0.000 0.917 398 F CA 0.814 58.825 58.000 0.018 0.000 0.962 398 F CB -1.922 37.097 39.000 0.033 0.000 0.964 398 F HN 0.573 nan 8.300 nan 0.000 0.668 399 L N -2.429 118.838 121.223 0.073 0.000 3.737 399 L HA -0.278 4.064 4.340 0.004 0.000 0.418 399 L C 0.094 177.045 176.870 0.135 0.000 1.216 399 L CA 0.018 54.889 54.840 0.053 0.000 0.915 399 L CB -1.918 40.112 42.059 -0.048 0.000 1.834 399 L HN 0.104 nan 8.230 nan 0.000 0.943 400 V N 0.514 120.510 119.914 0.136 0.000 2.455 400 V HA 0.077 4.199 4.120 0.004 0.000 0.273 400 V C 1.558 177.682 176.094 0.049 0.000 1.045 400 V CA 0.820 63.189 62.300 0.116 0.000 0.976 400 V CB 1.589 33.491 31.823 0.132 0.000 0.993 400 V HN 0.563 nan 8.190 nan 0.000 0.475 401 S N 3.071 118.782 115.700 0.020 0.000 2.496 401 S HA 0.134 4.606 4.470 0.004 0.000 0.224 401 S C 1.012 175.586 174.600 -0.044 0.000 0.996 401 S CA 0.329 58.524 58.200 -0.010 0.000 0.927 401 S CB 0.255 63.452 63.200 -0.005 0.000 0.774 401 S HN 0.833 nan 8.310 nan 0.000 0.524 402 G N 0.867 109.613 108.800 -0.089 0.000 3.194 402 G HA2 0.379 4.342 3.960 0.004 0.000 0.160 402 G HA3 0.379 4.342 3.960 0.004 0.000 0.160 402 G C -1.236 173.651 174.900 -0.021 0.000 1.267 402 G CA -0.587 44.450 45.100 -0.106 0.000 0.962 402 G HN 0.235 nan 8.290 nan 0.000 0.612 403 D N 2.747 123.165 120.400 0.030 0.000 2.352 403 D HA 0.252 4.894 4.640 0.004 0.000 0.245 403 D C -1.846 174.541 176.300 0.144 0.000 1.224 403 D CA -0.715 53.343 54.000 0.097 0.000 0.879 403 D CB 1.317 42.189 40.800 0.121 0.000 1.057 403 D HN 0.035 nan 8.370 nan 0.000 0.491 404 P HA 0.006 nan 4.420 nan 0.000 0.270 404 P C 1.021 178.380 177.300 0.099 0.000 1.227 404 P CA 0.232 63.403 63.100 0.117 0.000 0.788 404 P CB 1.061 32.824 31.700 0.104 0.000 0.926 405 G N 0.780 109.628 108.800 0.080 0.000 3.909 405 G HA2 -0.369 3.593 3.960 0.004 0.000 0.218 405 G HA3 -0.369 3.593 3.960 0.004 0.000 0.218 405 G C 0.842 175.752 174.900 0.016 0.000 1.404 405 G CA 0.428 45.552 45.100 0.040 0.000 0.905 405 G HN 0.576 nan 8.290 nan 0.000 0.589 406 L N 1.923 123.166 121.223 0.034 0.000 2.083 406 L HA 0.291 4.634 4.340 0.004 0.000 0.209 406 L C 1.067 177.828 176.870 -0.181 0.000 1.083 406 L CA 2.130 56.943 54.840 -0.045 0.000 0.752 406 L CB -0.534 41.538 42.059 0.020 0.000 0.899 406 L HN 0.605 nan 8.230 nan 0.000 0.433 407 H N -2.309 116.765 119.070 0.007 0.000 2.572 407 H HA 0.423 4.982 4.556 0.004 0.000 0.359 407 H C 0.866 176.193 175.328 -0.002 0.000 1.134 407 H CA -0.020 56.031 56.048 0.003 0.000 1.187 407 H CB 1.659 31.432 29.762 0.018 0.000 1.597 407 H HN -0.164 nan 8.280 nan 0.000 0.524 408 S N 1.437 117.181 115.700 0.072 0.000 2.517 408 S HA 0.190 4.662 4.470 0.004 0.000 0.214 408 S C 1.523 176.150 174.600 0.045 0.000 0.991 408 S CA 0.307 58.500 58.200 -0.011 0.000 0.906 408 S CB 0.206 63.345 63.200 -0.102 0.000 0.789 408 S HN 1.084 nan 8.310 nan 0.000 0.513 409 G N 2.122 110.984 108.800 0.103 0.000 2.596 409 G HA2 -0.341 3.621 3.960 0.004 0.000 0.304 409 G HA3 -0.341 3.621 3.960 0.004 0.000 0.304 409 G C 0.324 175.274 174.900 0.085 0.000 1.189 409 G CA 0.670 45.864 45.100 0.157 0.000 0.986 409 G HN 0.427 nan 8.290 nan 0.000 0.548 410 F N 3.186 123.167 119.950 0.050 0.000 2.693 410 F HA 0.523 5.052 4.527 0.004 0.000 0.303 410 F C 2.600 178.367 175.800 -0.056 0.000 1.097 410 F CA 1.049 59.052 58.000 0.006 0.000 1.330 410 F CB 0.010 39.028 39.000 0.030 0.000 1.067 410 F HN 0.596 nan 8.300 nan 0.000 0.565 411 A N 0.333 123.164 122.820 0.018 0.000 1.917 411 A HA -0.183 4.139 4.320 0.004 0.000 0.219 411 A C 2.586 179.839 177.584 -0.552 0.000 1.182 411 A CA 2.105 53.963 52.037 -0.298 0.000 0.633 411 A CB -1.351 17.254 19.000 -0.658 0.000 0.819 411 A HN 0.409 nan 8.150 nan 0.000 0.448 412 G N -1.356 107.212 108.800 -0.386 0.000 2.511 412 G HA2 0.178 4.140 3.960 0.004 0.000 0.217 412 G HA3 0.178 4.140 3.960 0.004 0.000 0.217 412 G C 1.537 176.222 174.900 -0.358 0.000 1.133 412 G CA 1.061 45.930 45.100 -0.385 0.000 0.792 412 G HN 0.797 nan 8.290 nan 0.000 0.539 413 A N 0.316 122.978 122.820 -0.262 0.000 2.066 413 A HA 0.017 4.339 4.320 0.004 0.000 0.218 413 A C 2.164 179.699 177.584 -0.081 0.000 1.157 413 A CA 1.704 53.660 52.037 -0.134 0.000 0.670 413 A CB -0.302 18.647 19.000 -0.085 0.000 0.804 413 A HN 0.466 nan 8.150 nan 0.000 0.453 414 Q N -1.373 118.316 119.800 -0.185 0.000 2.167 414 Q HA -0.208 4.134 4.340 0.004 0.000 0.202 414 Q C 1.529 177.515 176.000 -0.023 0.000 0.970 414 Q CA 1.592 57.336 55.803 -0.097 0.000 0.855 414 Q CB -0.300 28.382 28.738 -0.093 0.000 0.911 414 Q HN 0.686 nan 8.270 nan 0.000 0.438 415 Y N 1.084 121.410 120.300 0.044 0.000 2.114 415 Y HA -0.163 4.389 4.550 0.004 0.000 0.282 415 Y C -0.490 175.422 175.900 0.019 0.000 1.165 415 Y CA 1.108 59.222 58.100 0.023 0.000 1.148 415 Y CB -2.034 36.426 38.460 -0.000 0.000 0.972 415 Y HN 0.346 nan 8.280 nan 0.000 0.504 416 P HA -0.132 nan 4.420 nan 0.000 0.218 416 P C 1.338 178.686 177.300 0.081 0.000 1.149 416 P CA 2.109 65.264 63.100 0.092 0.000 0.817 416 P CB -0.073 31.658 31.700 0.052 0.000 0.785 417 A N 0.121 122.990 122.820 0.081 0.000 1.873 417 A HA -0.115 4.208 4.320 0.004 0.000 0.215 417 A C 2.371 180.002 177.584 0.079 0.000 1.186 417 A CA 2.321 54.402 52.037 0.073 0.000 0.616 417 A CB -1.865 17.176 19.000 0.069 0.000 0.823 417 A HN 0.172 nan 8.150 nan 0.000 0.442 418 T N 0.424 115.040 114.554 0.103 0.000 2.746 418 T HA -0.031 4.321 4.350 0.004 0.000 0.267 418 T C 2.176 176.926 174.700 0.083 0.000 1.039 418 T CA 1.577 63.739 62.100 0.103 0.000 1.142 418 T CB -0.421 68.538 68.868 0.152 0.000 0.866 418 T HN 0.581 nan 8.240 nan 0.000 0.444 419 A N 1.021 123.892 122.820 0.086 0.000 1.930 419 A HA 0.090 4.412 4.320 0.004 0.000 0.217 419 A C 2.256 179.869 177.584 0.048 0.000 1.175 419 A CA 1.000 53.073 52.037 0.059 0.000 0.627 419 A CB -0.731 18.303 19.000 0.057 0.000 0.815 419 A HN 0.476 nan 8.150 nan 0.000 0.443 420 L N -0.596 120.658 121.223 0.052 0.000 2.217 420 L HA -0.109 4.233 4.340 0.004 0.000 0.211 420 L C 2.395 179.291 176.870 0.043 0.000 1.107 420 L CA 0.511 55.378 54.840 0.044 0.000 0.783 420 L CB -0.308 41.779 42.059 0.046 0.000 0.919 420 L HN 0.245 nan 8.230 nan 0.000 0.442 421 V N -0.010 119.932 119.914 0.046 0.000 2.307 421 V HA -0.257 3.865 4.120 0.004 0.000 0.245 421 V C 2.740 178.857 176.094 0.038 0.000 1.045 421 V CA 1.782 64.108 62.300 0.043 0.000 1.024 421 V CB -0.755 31.095 31.823 0.045 0.000 0.651 421 V HN 0.473 nan 8.190 nan 0.000 0.449 422 A N -0.305 122.537 122.820 0.037 0.000 1.908 422 A HA -0.295 4.027 4.320 0.004 0.000 0.218 422 A C 2.249 179.850 177.584 0.028 0.000 1.181 422 A CA 2.182 54.237 52.037 0.031 0.000 0.627 422 A CB -0.519 18.498 19.000 0.028 0.000 0.818 422 A HN 0.640 nan 8.150 nan 0.000 0.445 423 E N -0.058 120.159 120.200 0.029 0.000 2.047 423 E HA -0.203 4.149 4.350 0.004 0.000 0.191 423 E C 1.718 178.336 176.600 0.030 0.000 0.987 423 E CA 1.310 57.726 56.400 0.027 0.000 0.799 423 E CB -0.129 29.587 29.700 0.027 0.000 0.752 423 E HN 0.556 nan 8.360 nan 0.000 0.449 424 N N 0.566 119.286 118.700 0.033 0.000 2.223 424 N HA -0.137 4.606 4.740 0.004 0.000 0.185 424 N C 1.551 177.082 175.510 0.035 0.000 1.016 424 N CA 0.890 53.961 53.050 0.036 0.000 0.863 424 N CB -0.201 38.309 38.487 0.038 0.000 0.983 424 N HN 0.179 nan 8.380 nan 0.000 0.429 425 R N 0.025 120.544 120.500 0.033 0.000 2.280 425 R HA -0.002 4.340 4.340 0.004 0.000 0.207 425 R C 1.488 177.805 176.300 0.030 0.000 1.043 425 R CA 1.200 57.318 56.100 0.031 0.000 1.006 425 R CB -0.132 30.185 30.300 0.029 0.000 0.885 425 R HN 0.358 nan 8.270 nan 0.000 0.467 426 T N -2.128 112.443 114.554 0.028 0.000 3.107 426 T HA 0.212 4.564 4.350 0.004 0.000 0.249 426 T C 0.732 175.449 174.700 0.029 0.000 1.096 426 T CA -0.007 62.108 62.100 0.026 0.000 1.012 426 T CB 0.002 68.883 68.868 0.022 0.000 0.977 426 T HN -0.019 nan 8.240 nan 0.000 0.527 427 I N 2.524 123.114 120.570 0.033 0.000 2.301 427 I HA 0.489 4.662 4.170 0.004 0.000 0.292 427 I C 0.974 177.118 176.117 0.044 0.000 1.046 427 I CA -0.804 60.518 61.300 0.037 0.000 1.282 427 I CB 0.835 38.859 38.000 0.040 0.000 1.409 427 I HN 0.228 nan 8.210 nan 0.000 0.484 428 G N 6.635 115.461 108.800 0.044 0.000 2.462 428 G HA2 0.582 4.545 3.960 0.004 0.000 0.319 428 G HA3 0.582 4.545 3.960 0.004 0.000 0.319 428 G C -2.714 172.223 174.900 0.062 0.000 1.171 428 G CA -1.412 43.719 45.100 0.052 0.000 0.920 428 G HN 0.310 nan 8.290 nan 0.000 0.499 429 P HA 0.235 nan 4.420 nan 0.000 0.265 429 P C 0.336 177.685 177.300 0.082 0.000 1.193 429 P CA 0.187 63.344 63.100 0.094 0.000 0.765 429 P CB 1.414 33.187 31.700 0.122 0.000 0.823 430 A N 2.215 125.080 122.820 0.075 0.000 2.140 430 A HA -0.003 4.319 4.320 0.004 0.000 0.209 430 A C 1.890 179.515 177.584 0.068 0.000 1.181 430 A CA 0.837 52.911 52.037 0.061 0.000 0.824 430 A CB -0.936 18.090 19.000 0.043 0.000 0.879 430 A HN 0.518 nan 8.150 nan 0.000 0.480 431 S N 0.337 116.091 115.700 0.090 0.000 2.537 431 S HA -0.117 4.355 4.470 0.004 0.000 0.240 431 S C 1.414 176.104 174.600 0.150 0.000 0.981 431 S CA 1.738 59.995 58.200 0.096 0.000 0.948 431 S CB -0.902 62.395 63.200 0.161 0.000 0.759 431 S HN 0.700 nan 8.310 nan 0.000 0.531 432 T N -2.491 112.159 114.554 0.160 0.000 3.044 432 T HA 0.269 4.621 4.350 0.004 0.000 0.260 432 T C 0.903 175.666 174.700 0.104 0.000 1.019 432 T CA -0.422 61.774 62.100 0.160 0.000 0.921 432 T CB 0.060 69.026 68.868 0.162 0.000 1.053 432 T HN 0.239 nan 8.240 nan 0.000 0.533 433 Q N 2.836 122.684 119.800 0.081 0.000 2.242 433 Q HA 0.239 4.582 4.340 0.004 0.000 0.246 433 Q C 0.402 176.432 176.000 0.050 0.000 0.883 433 Q CA -0.119 55.720 55.803 0.060 0.000 0.984 433 Q CB 0.232 29.000 28.738 0.051 0.000 1.096 433 Q HN 0.744 nan 8.270 nan 0.000 0.452 434 S N -0.591 115.143 115.700 0.056 0.000 2.563 434 S HA 0.326 4.799 4.470 0.004 0.000 0.284 434 S C 0.337 174.964 174.600 0.046 0.000 1.331 434 S CA -0.483 57.746 58.200 0.049 0.000 1.047 434 S CB 1.301 64.540 63.200 0.064 0.000 0.859 434 S HN 0.057 nan 8.310 nan 0.000 0.514 435 V N 3.965 123.902 119.914 0.038 0.000 2.577 435 V HA 0.480 4.602 4.120 0.004 0.000 0.303 435 V C -2.175 173.941 176.094 0.036 0.000 1.042 435 V CA -1.771 60.550 62.300 0.035 0.000 0.872 435 V CB 1.824 33.663 31.823 0.028 0.000 0.998 435 V HN 0.939 nan 8.190 nan 0.000 0.423 436 P HA 0.289 nan 4.420 nan 0.000 0.271 436 P C -0.497 176.824 177.300 0.036 0.000 1.216 436 P CA 0.289 63.414 63.100 0.041 0.000 0.771 436 P CB 1.329 33.054 31.700 0.042 0.000 0.864 437 S N 1.248 116.971 115.700 0.038 0.000 2.776 437 S HA 0.429 4.901 4.470 0.004 0.000 0.292 437 S C -0.161 174.465 174.600 0.044 0.000 1.187 437 S CA -0.701 57.520 58.200 0.035 0.000 0.834 437 S CB 0.627 63.844 63.200 0.027 0.000 1.199 437 S HN 0.448 nan 8.310 nan 0.000 0.514 438 N N 0.174 118.901 118.700 0.045 0.000 2.708 438 N HA -0.089 4.653 4.740 0.004 0.000 0.255 438 N C 0.636 176.188 175.510 0.071 0.000 1.046 438 N CA 1.853 54.940 53.050 0.061 0.000 0.715 438 N CB -1.520 37.009 38.487 0.069 0.000 0.895 438 N HN 2.218 nan 8.380 nan 0.000 0.545 439 G N 1.207 110.045 108.800 0.064 0.000 2.356 439 G HA2 -0.290 3.672 3.960 0.004 0.000 0.296 439 G HA3 -0.290 3.672 3.960 0.004 0.000 0.296 439 G C 0.467 175.404 174.900 0.061 0.000 1.022 439 G CA 0.602 45.742 45.100 0.066 0.000 0.961 439 G HN 0.833 nan 8.290 nan 0.000 0.510 440 D N -2.036 118.397 120.400 0.054 0.000 3.059 440 D HA -0.220 4.422 4.640 0.004 0.000 0.213 440 D C 1.375 177.711 176.300 0.060 0.000 1.144 440 D CA 1.722 55.753 54.000 0.052 0.000 0.975 440 D CB -1.244 39.582 40.800 0.044 0.000 1.125 440 D HN 0.695 nan 8.370 nan 0.000 0.412 441 N N 0.528 119.269 118.700 0.069 0.000 2.142 441 N HA -0.138 4.605 4.740 0.004 0.000 0.186 441 N C 0.534 176.089 175.510 0.074 0.000 1.023 441 N CA 1.330 54.423 53.050 0.073 0.000 0.852 441 N CB 0.109 38.645 38.487 0.081 0.000 0.998 441 N HN 0.302 nan 8.380 nan 0.000 0.424 442 Q N 0.633 120.474 119.800 0.068 0.000 3.150 442 Q HA 0.048 4.390 4.340 0.004 0.000 0.297 442 Q C -0.416 175.629 176.000 0.075 0.000 1.382 442 Q CA -0.188 55.658 55.803 0.073 0.000 1.059 442 Q CB 0.485 29.249 28.738 0.044 0.000 1.559 442 Q HN 0.556 nan 8.270 nan 0.000 0.548 443 D N -0.928 119.522 120.400 0.083 0.000 2.347 443 D HA -0.045 4.597 4.640 0.004 0.000 0.215 443 D C 0.338 176.690 176.300 0.086 0.000 0.976 443 D CA 0.315 54.359 54.000 0.074 0.000 0.884 443 D CB 0.432 41.269 40.800 0.063 0.000 0.915 443 D HN 0.059 nan 8.370 nan 0.000 0.526 444 V N 1.543 121.531 119.914 0.123 0.000 2.509 444 V HA 0.322 4.445 4.120 0.004 0.000 0.289 444 V C -0.083 176.165 176.094 0.256 0.000 1.026 444 V CA -0.951 61.444 62.300 0.157 0.000 0.872 444 V CB 1.826 33.734 31.823 0.142 0.000 1.017 444 V HN 0.182 nan 8.190 nan 0.000 0.436 445 V N 2.257 122.252 119.914 0.134 0.000 3.234 445 V HA 0.795 4.918 4.120 0.004 0.000 0.317 445 V C 0.951 177.032 176.094 -0.021 0.000 1.147 445 V CA 0.315 62.602 62.300 -0.022 0.000 1.037 445 V CB 2.037 33.830 31.823 -0.050 0.000 1.148 445 V HN 0.770 nan 8.190 nan 0.000 0.455 446 S N -0.519 115.085 115.700 -0.160 0.000 2.506 446 S HA 0.124 4.596 4.470 0.004 0.000 0.219 446 S C 1.138 175.704 174.600 -0.057 0.000 1.031 446 S CA 0.597 58.748 58.200 -0.083 0.000 0.911 446 S CB -0.208 62.917 63.200 -0.126 0.000 0.812 446 S HN 1.058 nan 8.310 nan 0.000 0.497 447 M N 0.704 120.275 119.600 -0.049 0.000 2.762 447 M HA -0.167 4.315 4.480 0.004 0.000 0.190 447 M C 1.159 177.451 176.300 -0.013 0.000 0.586 447 M CA 0.838 56.128 55.300 -0.016 0.000 0.620 447 M CB -2.639 29.965 32.600 0.007 0.000 2.269 447 M HN 0.566 nan 8.290 nan 0.000 0.563 448 G N 0.202 108.981 108.800 -0.035 0.000 2.469 448 G HA2 -0.140 3.823 3.960 0.004 0.000 0.220 448 G HA3 -0.140 3.823 3.960 0.004 0.000 0.220 448 G C 1.307 176.208 174.900 0.001 0.000 1.136 448 G CA 1.176 46.258 45.100 -0.030 0.000 0.759 448 G HN 0.482 nan 8.290 nan 0.000 0.562 449 L N 0.572 121.807 121.223 0.020 0.000 2.217 449 L HA 0.221 4.564 4.340 0.004 0.000 0.211 449 L C 2.563 179.475 176.870 0.070 0.000 1.107 449 L CA 0.927 55.802 54.840 0.058 0.000 0.783 449 L CB -0.216 41.897 42.059 0.091 0.000 0.919 449 L HN 0.276 nan 8.230 nan 0.000 0.442 450 I N -1.602 118.995 120.570 0.046 0.000 2.233 450 I HA -0.248 3.924 4.170 0.004 0.000 0.243 450 I C 2.332 178.475 176.117 0.043 0.000 1.093 450 I CA 1.105 62.430 61.300 0.042 0.000 1.380 450 I CB -0.480 37.537 38.000 0.029 0.000 1.067 450 I HN 0.143 nan 8.210 nan 0.000 0.413 451 S N 1.066 116.786 115.700 0.033 0.000 2.374 451 S HA -0.226 4.246 4.470 0.004 0.000 0.227 451 S C 2.253 176.876 174.600 0.037 0.000 1.037 451 S CA 1.563 59.781 58.200 0.031 0.000 1.024 451 S CB -0.422 62.783 63.200 0.009 0.000 0.861 451 S HN 0.560 nan 8.310 nan 0.000 0.456 452 A N 1.672 124.515 122.820 0.039 0.000 1.898 452 A HA -0.062 4.261 4.320 0.004 0.000 0.216 452 A C 2.147 179.774 177.584 0.071 0.000 1.181 452 A CA 1.123 53.188 52.037 0.047 0.000 0.620 452 A CB -0.410 18.613 19.000 0.039 0.000 0.819 452 A HN 0.402 nan 8.150 nan 0.000 0.442 453 R N -0.524 120.029 120.500 0.089 0.000 2.148 453 R HA -0.067 4.275 4.340 0.004 0.000 0.227 453 R C 1.671 178.011 176.300 0.066 0.000 1.103 453 R CA 1.123 57.282 56.100 0.098 0.000 0.983 453 R CB -0.273 30.085 30.300 0.096 0.000 0.874 453 R HN 0.474 nan 8.270 nan 0.000 0.451 454 N N 1.025 119.759 118.700 0.056 0.000 2.106 454 N HA -0.115 4.628 4.740 0.004 0.000 0.188 454 N C 1.623 177.165 175.510 0.053 0.000 1.029 454 N CA 1.588 54.668 53.050 0.050 0.000 0.848 454 N CB -0.307 38.210 38.487 0.050 0.000 1.007 454 N HN 0.185 nan 8.380 nan 0.000 0.423 455 A N 0.908 123.762 122.820 0.056 0.000 1.930 455 A HA -0.113 4.210 4.320 0.004 0.000 0.217 455 A C 2.222 179.840 177.584 0.057 0.000 1.175 455 A CA 1.197 53.269 52.037 0.058 0.000 0.627 455 A CB -0.433 18.602 19.000 0.058 0.000 0.815 455 A HN 0.258 nan 8.150 nan 0.000 0.443 456 R N -0.368 120.168 120.500 0.060 0.000 2.081 456 R HA -0.143 4.200 4.340 0.004 0.000 0.235 456 R C 2.425 178.758 176.300 0.055 0.000 1.131 456 R CA 1.621 57.758 56.100 0.062 0.000 0.960 456 R CB -0.308 30.039 30.300 0.078 0.000 0.856 456 R HN 0.552 nan 8.270 nan 0.000 0.436 457 R N 0.135 120.666 120.500 0.052 0.000 2.073 457 R HA -0.108 4.235 4.340 0.004 0.000 0.234 457 R C 2.089 178.415 176.300 0.043 0.000 1.134 457 R CA 1.838 57.964 56.100 0.043 0.000 0.952 457 R CB -0.245 30.078 30.300 0.038 0.000 0.850 457 R HN 0.147 nan 8.270 nan 0.000 0.433 458 V N 1.528 121.470 119.914 0.046 0.000 2.343 458 V HA -0.247 3.875 4.120 0.004 0.000 0.247 458 V C 2.326 178.448 176.094 0.047 0.000 1.051 458 V CA 1.657 63.984 62.300 0.046 0.000 1.036 458 V CB -0.566 31.286 31.823 0.049 0.000 0.654 458 V HN 0.373 nan 8.190 nan 0.000 0.451 459 L N 0.108 121.360 121.223 0.049 0.000 2.012 459 L HA -0.166 4.177 4.340 0.004 0.000 0.210 459 L C 2.613 179.512 176.870 0.048 0.000 1.073 459 L CA 2.529 57.399 54.840 0.050 0.000 0.748 459 L CB -0.747 41.342 42.059 0.051 0.000 0.891 459 L HN 0.311 nan 8.230 nan 0.000 0.431 460 S N -0.566 115.162 115.700 0.046 0.000 2.368 460 S HA -0.169 4.303 4.470 0.004 0.000 0.225 460 S C 1.854 176.479 174.600 0.042 0.000 1.030 460 S CA 1.470 59.696 58.200 0.043 0.000 0.999 460 S CB -0.436 62.788 63.200 0.040 0.000 0.844 460 S HN 0.639 nan 8.310 nan 0.000 0.459 461 N N 2.250 120.975 118.700 0.041 0.000 2.188 461 N HA -0.015 4.728 4.740 0.004 0.000 0.184 461 N C 1.420 176.958 175.510 0.046 0.000 1.018 461 N CA 0.995 54.070 53.050 0.041 0.000 0.858 461 N CB -0.928 37.583 38.487 0.040 0.000 0.989 461 N HN 0.397 nan 8.380 nan 0.000 0.426 462 N N 1.362 120.091 118.700 0.049 0.000 2.205 462 N HA -0.073 4.670 4.740 0.004 0.000 0.186 462 N C 1.140 176.686 175.510 0.060 0.000 1.015 462 N CA 0.590 53.672 53.050 0.054 0.000 0.862 462 N CB -0.388 38.131 38.487 0.053 0.000 0.986 462 N HN 0.281 nan 8.380 nan 0.000 0.429 463 N N 0.807 119.540 118.700 0.056 0.000 2.244 463 N HA -0.067 4.675 4.740 0.004 0.000 0.183 463 N C 1.406 176.948 175.510 0.054 0.000 1.016 463 N CA 0.794 53.877 53.050 0.055 0.000 0.866 463 N CB 0.023 38.538 38.487 0.047 0.000 0.980 463 N HN 0.395 nan 8.380 nan 0.000 0.430 464 K N 0.496 120.927 120.400 0.051 0.000 2.062 464 K HA 0.097 4.419 4.320 0.004 0.000 0.205 464 K C 2.070 178.706 176.600 0.061 0.000 1.051 464 K CA 0.584 56.901 56.287 0.051 0.000 0.941 464 K CB 0.042 32.568 32.500 0.043 0.000 0.719 464 K HN 0.101 nan 8.250 nan 0.000 0.440 465 I N 1.226 121.833 120.570 0.062 0.000 2.179 465 I HA -0.298 3.874 4.170 0.004 0.000 0.242 465 I C 2.171 178.336 176.117 0.080 0.000 1.088 465 I CA 1.305 62.645 61.300 0.066 0.000 1.357 465 I CB -0.248 37.787 38.000 0.059 0.000 1.051 465 I HN 0.114 nan 8.210 nan 0.000 0.409 466 L N 0.427 121.705 121.223 0.093 0.000 2.083 466 L HA -0.208 4.134 4.340 0.004 0.000 0.209 466 L C 2.837 179.821 176.870 0.190 0.000 1.083 466 L CA 1.188 56.117 54.840 0.148 0.000 0.752 466 L CB -0.679 41.482 42.059 0.170 0.000 0.899 466 L HN 0.257 nan 8.230 nan 0.000 0.433 467 A N -0.233 122.651 122.820 0.107 0.000 1.883 467 A HA -0.176 4.146 4.320 0.004 0.000 0.217 467 A C 2.313 179.976 177.584 0.132 0.000 1.186 467 A CA 1.997 54.085 52.037 0.086 0.000 0.624 467 A CB -0.871 18.166 19.000 0.062 0.000 0.822 467 A HN 0.200 nan 8.150 nan 0.000 0.444 468 V N -0.003 119.984 119.914 0.121 0.000 2.343 468 V HA -0.271 3.852 4.120 0.004 0.000 0.247 468 V C 2.511 178.678 176.094 0.123 0.000 1.051 468 V CA 2.323 64.712 62.300 0.148 0.000 1.036 468 V CB -0.753 31.143 31.823 0.121 0.000 0.654 468 V HN 0.786 nan 8.190 nan 0.000 0.451 469 E N -0.791 119.458 120.200 0.082 0.000 2.072 469 E HA -0.234 4.119 4.350 0.004 0.000 0.191 469 E C 2.181 178.754 176.600 -0.045 0.000 0.985 469 E CA 1.450 57.848 56.400 -0.002 0.000 0.801 469 E CB -0.214 29.469 29.700 -0.029 0.000 0.750 469 E HN 0.680 nan 8.360 nan 0.000 0.452 470 Y N 0.647 120.876 120.300 -0.118 0.000 2.181 470 Y HA -0.187 4.365 4.550 0.004 0.000 0.288 470 Y C 2.195 178.033 175.900 -0.104 0.000 1.146 470 Y CA 1.369 59.356 58.100 -0.187 0.000 1.164 470 Y CB -0.109 38.133 38.460 -0.364 0.000 0.982 470 Y HN 0.078 nan 8.280 nan 0.000 0.515 471 L N -1.247 120.064 121.223 0.146 0.000 2.056 471 L HA -0.229 4.113 4.340 0.004 0.000 0.207 471 L C 2.654 179.496 176.870 -0.048 0.000 1.078 471 L CA 1.075 56.015 54.840 0.166 0.000 0.749 471 L CB -0.821 41.449 42.059 0.350 0.000 0.901 471 L HN 0.207 nan 8.230 nan 0.000 0.433 472 A N -0.022 122.662 122.820 -0.227 0.000 1.902 472 A HA -0.175 4.147 4.320 0.004 0.000 0.217 472 A C 2.516 179.893 177.584 -0.346 0.000 1.181 472 A CA 1.758 53.432 52.037 -0.605 0.000 0.623 472 A CB -0.677 18.085 19.000 -0.397 0.000 0.818 472 A HN 0.407 nan 8.150 nan 0.000 0.443 473 A N -0.124 122.583 122.820 -0.189 0.000 1.873 473 A HA 0.184 4.506 4.320 0.004 0.000 0.215 473 A C 2.523 180.093 177.584 -0.023 0.000 1.186 473 A CA 2.053 54.017 52.037 -0.122 0.000 0.616 473 A CB -1.082 17.827 19.000 -0.152 0.000 0.823 473 A HN 1.080 nan 8.150 nan 0.000 0.442 474 A N -0.925 121.916 122.820 0.035 0.000 1.933 474 A HA -0.207 4.115 4.320 0.004 0.000 0.218 474 A C 2.148 179.840 177.584 0.180 0.000 1.175 474 A CA 2.186 54.342 52.037 0.198 0.000 0.628 474 A CB -0.485 18.564 19.000 0.081 0.000 0.814 474 A HN 0.560 nan 8.150 nan 0.000 0.444 475 Q N -0.089 119.719 119.800 0.012 0.000 2.119 475 Q HA 0.038 4.381 4.340 0.004 0.000 0.201 475 Q C 1.968 177.948 176.000 -0.034 0.000 0.972 475 Q CA 2.001 57.794 55.803 -0.018 0.000 0.847 475 Q CB -0.622 27.980 28.738 -0.226 0.000 0.903 475 Q HN 0.533 nan 8.270 nan 0.000 0.433 476 A N -0.560 122.208 122.820 -0.086 0.000 1.972 476 A HA -0.087 4.235 4.320 0.004 0.000 0.219 476 A C 2.202 179.777 177.584 -0.015 0.000 1.169 476 A CA 1.467 53.463 52.037 -0.068 0.000 0.635 476 A CB -0.616 18.330 19.000 -0.089 0.000 0.810 476 A HN 0.269 nan 8.150 nan 0.000 0.446 477 V N 1.400 121.332 119.914 0.031 0.000 2.270 477 V HA -0.248 3.874 4.120 0.004 0.000 0.245 477 V C 2.184 178.288 176.094 0.017 0.000 1.043 477 V CA 2.345 64.660 62.300 0.025 0.000 1.014 477 V CB -0.978 30.863 31.823 0.031 0.000 0.645 477 V HN 0.769 nan 8.190 nan 0.000 0.447 478 D N 0.117 120.559 120.400 0.070 0.000 2.183 478 D HA -0.114 4.528 4.640 0.004 0.000 0.203 478 D C 1.902 178.217 176.300 0.026 0.000 0.969 478 D CA 0.981 55.011 54.000 0.051 0.000 0.842 478 D CB -0.380 40.481 40.800 0.102 0.000 0.957 478 D HN 0.420 nan 8.370 nan 0.000 0.484 479 I N 1.060 121.642 120.570 0.020 0.000 2.252 479 I HA -0.228 3.944 4.170 0.004 0.000 0.245 479 I C 2.141 178.250 176.117 -0.015 0.000 1.102 479 I CA 1.429 62.729 61.300 0.001 0.000 1.385 479 I CB -0.296 37.699 38.000 -0.009 0.000 1.064 479 I HN 0.105 nan 8.210 nan 0.000 0.414 480 S N 0.330 116.018 115.700 -0.020 0.000 2.461 480 S HA 0.082 4.554 4.470 0.004 0.000 0.228 480 S C 1.698 176.288 174.600 -0.018 0.000 1.005 480 S CA 0.482 58.664 58.200 -0.030 0.000 0.942 480 S CB 0.048 63.228 63.200 -0.032 0.000 0.776 480 S HN 0.590 nan 8.310 nan 0.000 0.514 481 G N 1.706 110.503 108.800 -0.005 0.000 2.198 481 G HA2 -0.269 3.694 3.960 0.004 0.000 0.257 481 G HA3 -0.269 3.694 3.960 0.004 0.000 0.257 481 G C 0.491 175.397 174.900 0.011 0.000 1.042 481 G CA 0.250 45.354 45.100 0.006 0.000 0.791 481 G HN 0.563 nan 8.290 nan 0.000 0.502 482 R N -1.184 119.318 120.500 0.003 0.000 2.359 482 R HA 0.313 4.655 4.340 0.004 0.000 0.231 482 R C 1.924 178.200 176.300 -0.040 0.000 0.913 482 R CA -0.025 56.066 56.100 -0.014 0.000 1.075 482 R CB -0.097 30.192 30.300 -0.018 0.000 1.087 482 R HN 0.396 nan 8.270 nan 0.000 0.515 483 F N 2.592 122.437 119.950 -0.175 0.000 2.043 483 F HA -0.320 4.209 4.527 0.004 0.000 0.297 483 F C 1.588 177.297 175.800 -0.151 0.000 1.118 483 F CA 1.916 59.765 58.000 -0.252 0.000 1.202 483 F CB -0.060 38.744 39.000 -0.327 0.000 0.965 483 F HN 0.013 nan 8.300 nan 0.000 0.482 484 D N -0.103 120.182 120.400 -0.192 0.000 2.271 484 D HA -0.158 4.484 4.640 0.004 0.000 0.207 484 D C 2.298 178.447 176.300 -0.251 0.000 0.983 484 D CA 1.420 55.274 54.000 -0.243 0.000 0.878 484 D CB -0.779 39.997 40.800 -0.040 0.000 0.920 484 D HN 0.517 nan 8.370 nan 0.000 0.479 485 G N 0.036 108.717 108.800 -0.198 0.000 2.683 485 G HA2 0.064 4.026 3.960 0.004 0.000 0.213 485 G HA3 0.064 4.026 3.960 0.004 0.000 0.213 485 G C 0.873 175.668 174.900 -0.174 0.000 1.142 485 G CA -0.279 44.734 45.100 -0.145 0.000 0.793 485 G HN 0.177 nan 8.290 nan 0.000 0.534 486 L N 2.360 123.423 121.223 -0.266 0.000 2.514 486 L HA 0.161 4.504 4.340 0.004 0.000 0.280 486 L C 1.312 178.063 176.870 -0.198 0.000 1.223 486 L CA -0.466 54.234 54.840 -0.233 0.000 0.864 486 L CB 0.584 42.459 42.059 -0.307 0.000 1.118 486 L HN 0.226 nan 8.230 nan 0.000 0.494 487 S N 2.152 117.777 115.700 -0.125 0.000 2.596 487 S HA 0.178 4.650 4.470 0.004 0.000 0.260 487 S C -1.813 172.737 174.600 -0.084 0.000 1.336 487 S CA -1.097 57.047 58.200 -0.092 0.000 0.993 487 S CB 0.735 63.896 63.200 -0.066 0.000 0.923 487 S HN 0.429 nan 8.310 nan 0.000 0.567 488 P HA -0.090 nan 4.420 nan 0.000 0.216 488 P C 1.548 178.848 177.300 0.001 0.000 1.153 488 P CA 2.039 65.122 63.100 -0.030 0.000 0.858 488 P CB -0.246 31.445 31.700 -0.016 0.000 0.789 489 A N -0.219 122.601 122.820 -0.000 0.000 1.898 489 A HA -0.050 4.272 4.320 0.004 0.000 0.216 489 A C 2.317 179.927 177.584 0.043 0.000 1.181 489 A CA 1.906 53.957 52.037 0.024 0.000 0.620 489 A CB -1.584 17.420 19.000 0.006 0.000 0.819 489 A HN 0.178 nan 8.150 nan 0.000 0.442 490 A N -0.133 122.693 122.820 0.009 0.000 1.933 490 A HA -0.172 4.150 4.320 0.004 0.000 0.218 490 A C 2.118 179.760 177.584 0.097 0.000 1.175 490 A CA 1.827 53.879 52.037 0.025 0.000 0.628 490 A CB -0.424 18.556 19.000 -0.033 0.000 0.814 490 A HN 0.529 nan 8.150 nan 0.000 0.444 491 K N -0.449 119.980 120.400 0.048 0.000 2.057 491 K HA -0.061 4.261 4.320 0.004 0.000 0.207 491 K C 2.351 179.122 176.600 0.286 0.000 1.049 491 K CA 1.056 57.433 56.287 0.149 0.000 0.931 491 K CB -0.322 32.167 32.500 -0.017 0.000 0.714 491 K HN 0.448 nan 8.250 nan 0.000 0.440 492 A N 1.056 123.987 122.820 0.186 0.000 1.877 492 A HA -0.166 4.156 4.320 0.004 0.000 0.216 492 A C 2.249 179.977 177.584 0.239 0.000 1.186 492 A CA 2.120 54.269 52.037 0.187 0.000 0.620 492 A CB -0.998 18.080 19.000 0.130 0.000 0.822 492 A HN 0.257 nan 8.150 nan 0.000 0.443 493 T N -1.510 113.194 114.554 0.250 0.000 2.708 493 T HA -0.189 4.164 4.350 0.004 0.000 0.266 493 T C 1.798 176.700 174.700 0.337 0.000 1.037 493 T CA 1.695 63.988 62.100 0.321 0.000 1.146 493 T CB -0.489 68.510 68.868 0.218 0.000 0.865 493 T HN 0.576 nan 8.240 nan 0.000 0.435 494 Y N 2.407 122.829 120.300 0.203 0.000 2.128 494 Y HA -0.194 4.358 4.550 0.004 0.000 0.284 494 Y C 2.433 178.454 175.900 0.200 0.000 1.154 494 Y CA 1.547 59.769 58.100 0.204 0.000 1.149 494 Y CB -0.219 38.398 38.460 0.262 0.000 0.976 494 Y HN 0.129 nan 8.280 nan 0.000 0.505 495 E N 0.433 120.772 120.200 0.232 0.000 2.077 495 E HA -0.211 4.141 4.350 0.004 0.000 0.193 495 E C 2.462 179.082 176.600 0.033 0.000 0.989 495 E CA 1.092 57.547 56.400 0.091 0.000 0.800 495 E CB -0.797 29.020 29.700 0.194 0.000 0.746 495 E HN 0.600 nan 8.360 nan 0.000 0.452 496 A N 1.357 124.256 122.820 0.132 0.000 1.908 496 A HA -0.164 4.158 4.320 0.004 0.000 0.218 496 A C 2.652 180.340 177.584 0.173 0.000 1.181 496 A CA 1.711 53.824 52.037 0.126 0.000 0.627 496 A CB -0.739 18.388 19.000 0.212 0.000 0.818 496 A HN 0.139 nan 8.150 nan 0.000 0.445 497 V N 0.125 120.193 119.914 0.257 0.000 2.307 497 V HA -0.200 3.922 4.120 0.004 0.000 0.245 497 V C 2.621 178.712 176.094 -0.004 0.000 1.045 497 V CA 1.884 64.299 62.300 0.192 0.000 1.024 497 V CB -0.788 31.108 31.823 0.122 0.000 0.651 497 V HN 0.458 nan 8.190 nan 0.000 0.449 498 R N 0.076 120.462 120.500 -0.189 0.000 2.159 498 R HA -0.138 4.204 4.340 0.004 0.000 0.237 498 R C 2.284 178.529 176.300 -0.092 0.000 1.131 498 R CA 1.143 57.117 56.100 -0.211 0.000 0.982 498 R CB -0.707 29.349 30.300 -0.406 0.000 0.868 498 R HN 0.428 nan 8.270 nan 0.000 0.453 499 R N 0.481 120.946 120.500 -0.059 0.000 2.148 499 R HA 0.003 4.345 4.340 0.004 0.000 0.227 499 R C 1.920 178.206 176.300 -0.023 0.000 1.103 499 R CA 0.882 56.962 56.100 -0.034 0.000 0.983 499 R CB 0.048 30.330 30.300 -0.030 0.000 0.874 499 R HN 0.159 nan 8.270 nan 0.000 0.451 500 L N -1.299 119.919 121.223 -0.008 0.000 2.362 500 L HA 0.221 4.563 4.340 0.004 0.000 0.204 500 L C -0.089 176.790 176.870 0.016 0.000 1.060 500 L CA 0.033 54.877 54.840 0.006 0.000 0.827 500 L CB 0.639 42.715 42.059 0.028 0.000 1.027 500 L HN -0.150 nan 8.230 nan 0.000 0.474 501 V N -0.102 119.824 119.914 0.020 0.000 2.638 501 V HA 0.404 4.527 4.120 0.004 0.000 0.306 501 V C -2.454 173.646 176.094 0.011 0.000 1.052 501 V CA -1.584 60.732 62.300 0.028 0.000 0.885 501 V CB 1.877 33.735 31.823 0.059 0.000 0.999 501 V HN -0.084 nan 8.190 nan 0.000 0.424 502 P HA 0.304 nan 4.420 nan 0.000 0.276 502 P C -0.014 177.312 177.300 0.044 0.000 1.261 502 P CA -0.273 62.835 63.100 0.013 0.000 0.800 502 P CB 0.323 32.032 31.700 0.015 0.000 1.066 503 T N 0.984 115.568 114.554 0.050 0.000 2.906 503 T HA 0.062 4.415 4.350 0.004 0.000 0.320 503 T C 0.193 174.949 174.700 0.094 0.000 1.088 503 T CA 0.220 62.373 62.100 0.089 0.000 1.120 503 T CB -0.130 68.786 68.868 0.081 0.000 1.000 503 T HN 0.198 nan 8.240 nan 0.000 0.550 504 L N 3.545 124.854 121.223 0.143 0.000 2.268 504 L HA 0.518 4.860 4.340 0.004 0.000 0.289 504 L C 0.814 177.728 176.870 0.073 0.000 1.064 504 L CA 0.239 55.150 54.840 0.118 0.000 0.824 504 L CB -0.019 42.159 42.059 0.198 0.000 1.202 504 L HN 0.747 nan 8.230 nan 0.000 0.433 505 G N 4.209 113.027 108.800 0.031 0.000 2.672 505 G HA2 0.236 4.198 3.960 0.004 0.000 0.200 505 G HA3 0.236 4.198 3.960 0.004 0.000 0.200 505 G C 0.307 175.172 174.900 -0.058 0.000 1.819 505 G CA 0.398 45.491 45.100 -0.012 0.000 0.902 505 G HN 0.666 nan 8.290 nan 0.000 0.512 506 V N -0.760 119.128 119.914 -0.043 0.000 3.264 506 V HA 0.363 4.485 4.120 0.004 0.000 0.304 506 V C -0.258 175.911 176.094 0.126 0.000 1.086 506 V CA -1.101 61.195 62.300 -0.007 0.000 1.090 506 V CB 0.824 32.730 31.823 0.138 0.000 1.112 506 V HN 0.298 nan 8.190 nan 0.000 0.472 507 D N 2.077 122.675 120.400 0.330 0.000 2.423 507 D HA 0.425 5.067 4.640 0.004 0.000 0.238 507 D C 0.370 176.713 176.300 0.072 0.000 1.142 507 D CA 0.524 54.614 54.000 0.151 0.000 0.884 507 D CB 0.399 41.271 40.800 0.120 0.000 1.199 507 D HN 0.879 nan 8.370 nan 0.000 0.438 508 R N 0.494 121.006 120.500 0.019 0.000 2.716 508 R HA 0.238 4.580 4.340 0.004 0.000 0.271 508 R C -1.084 175.243 176.300 0.044 0.000 1.028 508 R CA -1.019 55.106 56.100 0.042 0.000 0.883 508 R CB 0.260 30.586 30.300 0.042 0.000 1.250 508 R HN 0.309 nan 8.270 nan 0.000 0.465 509 Y N 2.577 122.850 120.300 -0.043 0.000 2.802 509 Y HA -0.072 4.480 4.550 0.004 0.000 0.333 509 Y C 0.885 176.747 175.900 -0.063 0.000 1.244 509 Y CA 0.670 58.742 58.100 -0.045 0.000 1.558 509 Y CB 0.651 39.093 38.460 -0.030 0.000 1.233 509 Y HN 0.584 nan 8.280 nan 0.000 0.547 510 M N 4.795 124.217 119.600 -0.296 0.000 2.466 510 M HA 0.044 4.526 4.480 0.004 0.000 0.265 510 M C 2.267 178.436 176.300 -0.218 0.000 1.122 510 M CA 1.103 56.260 55.300 -0.239 0.000 1.157 510 M CB -1.388 31.043 32.600 -0.282 0.000 1.352 510 M HN 0.836 nan 8.290 nan 0.000 0.464 511 A N 1.456 124.027 122.820 -0.414 0.000 1.915 511 A HA -0.248 4.074 4.320 0.004 0.000 0.220 511 A C 1.865 179.445 177.584 -0.007 0.000 1.198 511 A CA 2.419 54.322 52.037 -0.224 0.000 0.647 511 A CB -0.927 17.884 19.000 -0.317 0.000 0.825 511 A HN 0.430 nan 8.150 nan 0.000 0.456 512 D N -0.036 120.450 120.400 0.144 0.000 2.117 512 D HA -0.126 4.516 4.640 0.004 0.000 0.197 512 D C 1.446 177.792 176.300 0.076 0.000 0.987 512 D CA 1.511 55.599 54.000 0.147 0.000 0.829 512 D CB -0.483 40.430 40.800 0.188 0.000 0.961 512 D HN 0.453 nan 8.370 nan 0.000 0.460 513 D N 0.415 120.851 120.400 0.058 0.000 2.117 513 D HA -0.086 4.556 4.640 0.004 0.000 0.197 513 D C 2.340 178.666 176.300 0.044 0.000 0.987 513 D CA 0.417 54.443 54.000 0.044 0.000 0.829 513 D CB -0.263 40.552 40.800 0.026 0.000 0.961 513 D HN 0.301 nan 8.370 nan 0.000 0.460 514 I N 0.595 121.180 120.570 0.024 0.000 2.202 514 I HA -0.224 3.948 4.170 0.004 0.000 0.242 514 I C 2.337 178.478 176.117 0.040 0.000 1.091 514 I CA 0.984 62.305 61.300 0.035 0.000 1.368 514 I CB -0.119 37.887 38.000 0.010 0.000 1.058 514 I HN -0.125 nan 8.210 nan 0.000 0.410 515 E N 0.952 121.172 120.200 0.034 0.000 2.204 515 E HA -0.204 4.148 4.350 0.004 0.000 0.194 515 E C 1.908 178.530 176.600 0.037 0.000 0.989 515 E CA 0.887 57.309 56.400 0.035 0.000 0.824 515 E CB -0.146 29.576 29.700 0.036 0.000 0.756 515 E HN 0.263 nan 8.360 nan 0.000 0.477 516 L N -0.574 120.673 121.223 0.041 0.000 2.027 516 L HA -0.095 4.247 4.340 0.004 0.000 0.206 516 L C 2.108 179.005 176.870 0.045 0.000 1.074 516 L CA 1.399 56.260 54.840 0.036 0.000 0.745 516 L CB -0.585 41.497 42.059 0.037 0.000 0.898 516 L HN 0.058 nan 8.230 nan 0.000 0.433 517 V N -0.088 119.867 119.914 0.068 0.000 2.427 517 V HA -0.211 3.911 4.120 0.004 0.000 0.248 517 V C 2.743 178.888 176.094 0.084 0.000 1.051 517 V CA 1.402 63.765 62.300 0.106 0.000 1.048 517 V CB -1.266 30.619 31.823 0.103 0.000 0.666 517 V HN 0.569 nan 8.190 nan 0.000 0.456 518 A N -0.162 122.690 122.820 0.053 0.000 1.969 518 A HA -0.213 4.110 4.320 0.004 0.000 0.218 518 A C 1.984 179.590 177.584 0.036 0.000 1.169 518 A CA 1.809 53.872 52.037 0.042 0.000 0.635 518 A CB -0.478 18.546 19.000 0.039 0.000 0.810 518 A HN 0.535 nan 8.150 nan 0.000 0.445 519 D N 0.258 120.675 120.400 0.028 0.000 2.117 519 D HA -0.038 4.604 4.640 0.004 0.000 0.198 519 D C 2.270 178.568 176.300 -0.004 0.000 0.982 519 D CA 1.445 55.453 54.000 0.012 0.000 0.828 519 D CB -0.473 40.330 40.800 0.006 0.000 0.967 519 D HN 0.409 nan 8.370 nan 0.000 0.464 520 A N 0.975 123.788 122.820 -0.013 0.000 1.908 520 A HA -0.152 4.171 4.320 0.004 0.000 0.218 520 A C 2.414 179.964 177.584 -0.057 0.000 1.181 520 A CA 1.012 52.995 52.037 -0.089 0.000 0.627 520 A CB -0.884 18.022 19.000 -0.158 0.000 0.818 520 A HN 0.193 nan 8.150 nan 0.000 0.445 521 L N 0.368 121.630 121.223 0.066 0.000 2.046 521 L HA -0.194 4.148 4.340 0.004 0.000 0.208 521 L C 2.981 179.879 176.870 0.048 0.000 1.077 521 L CA 1.664 56.561 54.840 0.095 0.000 0.747 521 L CB -0.383 41.707 42.059 0.053 0.000 0.896 521 L HN 0.628 nan 8.230 nan 0.000 0.432 522 S N -0.528 115.189 115.700 0.030 0.000 2.474 522 S HA -0.135 4.338 4.470 0.004 0.000 0.235 522 S C 1.871 176.478 174.600 0.012 0.000 0.997 522 S CA 0.603 58.818 58.200 0.025 0.000 0.949 522 S CB -0.269 62.945 63.200 0.023 0.000 0.766 522 S HN 0.416 nan 8.310 nan 0.000 0.517 523 R N 0.351 120.846 120.500 -0.010 0.000 2.334 523 R HA 0.265 4.607 4.340 0.004 0.000 0.216 523 R C 1.357 177.639 176.300 -0.030 0.000 0.905 523 R CA 0.379 56.464 56.100 -0.025 0.000 1.064 523 R CB -0.058 30.211 30.300 -0.051 0.000 1.046 523 R HN 0.554 nan 8.270 nan 0.000 0.508 524 G N 1.824 110.617 108.800 -0.013 0.000 2.176 524 G HA2 -0.270 3.693 3.960 0.004 0.000 0.252 524 G HA3 -0.270 3.693 3.960 0.004 0.000 0.252 524 G C 0.647 175.515 174.900 -0.054 0.000 1.024 524 G CA 0.308 45.410 45.100 0.004 0.000 0.755 524 G HN 0.269 nan 8.290 nan 0.000 0.507 525 E N -0.724 119.373 120.200 -0.171 0.000 2.209 525 E HA -0.062 4.290 4.350 0.004 0.000 0.196 525 E C 1.949 178.276 176.600 -0.455 0.000 0.993 525 E CA 1.087 57.273 56.400 -0.355 0.000 0.819 525 E CB -0.201 29.168 29.700 -0.552 0.000 0.745 525 E HN 0.673 nan 8.360 nan 0.000 0.477 526 F N -0.130 119.795 119.950 -0.042 0.000 2.473 526 F HA -0.004 4.525 4.527 0.004 0.000 0.294 526 F C 2.130 177.965 175.800 0.057 0.000 1.103 526 F CA 0.109 58.119 58.000 0.017 0.000 1.442 526 F CB -0.333 38.675 39.000 0.013 0.000 1.097 526 F HN 0.013 nan 8.300 nan 0.000 0.547 527 L N 0.532 121.854 121.223 0.165 0.000 2.093 527 L HA -0.076 4.266 4.340 0.004 0.000 0.208 527 L C 2.279 179.188 176.870 0.065 0.000 1.085 527 L CA 1.651 56.561 54.840 0.118 0.000 0.755 527 L CB -0.495 41.618 42.059 0.090 0.000 0.904 527 L HN -0.046 nan 8.230 nan 0.000 0.435 528 R N -0.471 120.040 120.500 0.018 0.000 2.075 528 R HA -0.042 4.300 4.340 0.004 0.000 0.232 528 R C 2.322 178.625 176.300 0.005 0.000 1.126 528 R CA 1.225 57.321 56.100 -0.006 0.000 0.963 528 R CB -0.746 29.525 30.300 -0.048 0.000 0.858 528 R HN 0.483 nan 8.270 nan 0.000 0.435 529 A N 1.587 124.409 122.820 0.003 0.000 1.908 529 A HA -0.173 4.149 4.320 0.004 0.000 0.218 529 A C 2.088 179.712 177.584 0.067 0.000 1.181 529 A CA 1.315 53.373 52.037 0.035 0.000 0.627 529 A CB -0.436 18.605 19.000 0.069 0.000 0.818 529 A HN 0.102 nan 8.150 nan 0.000 0.445 530 I N -0.120 120.503 120.570 0.088 0.000 2.179 530 I HA -0.240 3.932 4.170 0.004 0.000 0.242 530 I C 2.982 179.129 176.117 0.051 0.000 1.088 530 I CA 1.498 62.844 61.300 0.077 0.000 1.357 530 I CB -1.684 36.367 38.000 0.084 0.000 1.051 530 I HN 0.372 nan 8.210 nan 0.000 0.409 531 A N 0.564 123.410 122.820 0.043 0.000 1.877 531 A HA -0.238 4.084 4.320 0.004 0.000 0.216 531 A C 2.554 180.152 177.584 0.025 0.000 1.186 531 A CA 1.845 53.900 52.037 0.030 0.000 0.620 531 A CB -0.677 18.338 19.000 0.025 0.000 0.822 531 A HN 0.371 nan 8.150 nan 0.000 0.443 532 R N -0.858 119.655 120.500 0.023 0.000 2.148 532 R HA -0.054 4.288 4.340 0.004 0.000 0.223 532 R C 0.907 177.223 176.300 0.025 0.000 1.088 532 R CA 1.281 57.392 56.100 0.018 0.000 0.985 532 R CB 0.048 30.354 30.300 0.010 0.000 0.880 532 R HN 0.413 nan 8.270 nan 0.000 0.451 533 E N -0.014 120.207 120.200 0.035 0.000 2.489 533 E HA 0.045 4.397 4.350 0.004 0.000 0.204 533 E C 0.298 176.921 176.600 0.037 0.000 1.006 533 E CA 0.444 56.869 56.400 0.041 0.000 0.936 533 E CB 1.295 31.030 29.700 0.059 0.000 1.002 533 E HN 0.376 nan 8.360 nan 0.000 0.488 534 T N -2.735 111.838 114.554 0.032 0.000 2.812 534 T HA 0.319 4.671 4.350 0.004 0.000 0.294 534 T C 0.121 174.833 174.700 0.020 0.000 1.159 534 T CA -0.720 61.395 62.100 0.025 0.000 1.008 534 T CB 1.865 70.748 68.868 0.026 0.000 1.289 534 T HN -0.347 nan 8.240 nan 0.000 0.514 535 D N 0.034 120.443 120.400 0.015 0.000 2.333 535 D HA 0.185 4.827 4.640 0.004 0.000 0.208 535 D C 0.817 177.125 176.300 0.012 0.000 0.984 535 D CA 0.159 54.166 54.000 0.012 0.000 0.873 535 D CB 0.056 40.861 40.800 0.009 0.000 0.935 535 D HN 0.556 nan 8.370 nan 0.000 0.521 536 I N 1.743 122.321 120.570 0.013 0.000 2.906 536 I HA -0.186 3.986 4.170 0.004 0.000 0.302 536 I C 0.640 176.766 176.117 0.016 0.000 1.220 536 I CA 0.622 61.929 61.300 0.012 0.000 1.441 536 I CB 0.158 38.164 38.000 0.011 0.000 1.336 536 I HN -0.206 nan 8.210 nan 0.000 0.565 537 Q N 7.346 127.154 119.800 0.013 0.000 2.381 537 Q HA 0.469 4.811 4.340 0.004 0.000 0.263 537 Q C -1.243 174.768 176.000 0.018 0.000 1.030 537 Q CA -0.314 55.498 55.803 0.016 0.000 0.772 537 Q CB 1.070 29.816 28.738 0.013 0.000 1.232 537 Q HN 0.528 nan 8.270 nan 0.000 0.476 538 L N 4.172 125.410 121.223 0.025 0.000 2.305 538 L HA 0.493 4.835 4.340 0.004 0.000 0.281 538 L C 0.740 177.633 176.870 0.038 0.000 1.085 538 L CA -0.520 54.339 54.840 0.030 0.000 0.813 538 L CB 0.843 42.925 42.059 0.038 0.000 1.157 538 L HN 0.549 nan 8.230 nan 0.000 0.436 539 R N 0.000 120.526 120.500 0.043 0.000 2.786 539 R HA 0.000 4.342 4.340 0.004 0.000 0.208 539 R CA 0.000 56.134 56.100 0.057 0.000 0.921 539 R CB 0.000 30.336 30.300 0.060 0.000 0.687 539 R HN 0.000 nan 8.270 nan 0.000 0.535