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 3n25_1_B DATA FIRST_RESID 11 DATA SEQUENCE FIQTQQLHAA MADTFLEHKC RLDIDSAPIT ARNTGIICTI GPASRSVETL DATA SEQUENCE KEMIKSGMNV ARMNFSHGTH EYHAETIKNV RTATESFASD PILYRPVAVA DATA SEQUENCE LDTKGPEIRT GLXXXXXXXX XELKKGATLK ITLDNAYMEK CDENILWLDY DATA SEQUENCE KNICKVVDVG SKVYVDDGLI SLQVKQKXXX FLVTEVENGG FLGSKKGVNL DATA SEQUENCE PGAAVDLPAV SEKDIQDLKF GVEQDVDMVF ASFIRKAADV HEVRKILGEK DATA SEQUENCE GKNIKIISKI ENHEGVRRFD EILEASDGIM VARGDLGIEI PAEKVFLAQK DATA SEQUENCE MIIGRCNRAG KPVICATQML ESMIKKPRPT RAEGSDVANA VLDGADCIML DATA SEQUENCE SGETAKGDYP LEAVRMQHLI AREAEAAMFH RKLFEELARA SSQSTDLMEA DATA SEQUENCE MAMGSVEASY KCLAAALIVL TESGRSAHQV ARYRPRAPII AVTRNHQTAR DATA SEQUENCE QAHLYRGIFP VVCKDPVQEA WAEDVDLRVN LAMNVGKARG FFKKGDVVIV DATA SEQUENCE LTGWRPGSGF TNTMRVVPVP 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 11 F HA 0.000 nan 4.527 nan 0.000 0.279 11 F C 0.000 175.772 175.800 -0.046 0.000 0.967 11 F CA 0.000 57.980 58.000 -0.034 0.000 1.383 11 F CB 0.000 38.983 39.000 -0.029 0.000 1.145 12 I N 5.498 125.928 120.570 -0.233 0.000 2.378 12 I HA 0.336 4.531 4.170 0.041 0.000 0.291 12 I C -0.468 175.567 176.117 -0.136 0.000 0.992 12 I CA -0.755 60.471 61.300 -0.123 0.000 1.154 12 I CB 1.870 39.796 38.000 -0.123 0.000 1.315 12 I HN 0.500 nan 8.210 nan 0.000 0.448 13 Q N 4.286 124.098 119.800 0.021 0.000 2.311 13 Q HA 0.165 4.530 4.340 0.041 0.000 0.272 13 Q C 0.429 176.433 176.000 0.007 0.000 1.012 13 Q CA -0.276 55.565 55.803 0.062 0.000 0.891 13 Q CB 0.508 29.312 28.738 0.110 0.000 1.201 13 Q HN 0.728 nan 8.270 nan 0.000 0.391 14 T N -0.120 114.433 114.554 -0.002 0.000 2.791 14 T HA -0.112 4.263 4.350 0.041 0.000 0.323 14 T C 0.595 175.304 174.700 0.015 0.000 1.082 14 T CA -0.186 61.910 62.100 -0.007 0.000 1.084 14 T CB 0.642 69.511 68.868 0.001 0.000 0.992 14 T HN 0.872 nan 8.240 nan 0.000 0.547 15 Q N 0.155 119.961 119.800 0.011 0.000 2.503 15 Q HA -0.256 4.109 4.340 0.041 0.000 0.267 15 Q C -0.215 175.810 176.000 0.042 0.000 1.030 15 Q CA 0.854 56.672 55.803 0.024 0.000 1.041 15 Q CB -1.296 27.454 28.738 0.020 0.000 1.406 15 Q HN 0.861 nan 8.270 nan 0.000 0.524 16 Q N -2.240 117.578 119.800 0.030 0.000 2.457 16 Q HA -0.238 4.126 4.340 0.041 0.000 0.283 16 Q C 0.461 176.492 176.000 0.053 0.000 1.234 16 Q CA 1.532 57.350 55.803 0.025 0.000 0.877 16 Q CB -1.974 26.770 28.738 0.011 0.000 1.250 16 Q HN 0.718 nan 8.270 nan 0.000 0.481 17 L N -1.226 120.038 121.223 0.067 0.000 2.395 17 L HA -0.076 4.289 4.340 0.041 0.000 0.218 17 L C 2.387 179.323 176.870 0.111 0.000 1.130 17 L CA 0.888 55.776 54.840 0.080 0.000 0.826 17 L CB -0.349 41.752 42.059 0.069 0.000 0.941 17 L HN 0.460 nan 8.230 nan 0.000 0.451 18 H N 0.256 119.331 119.070 0.008 0.000 2.363 18 H HA -0.085 4.499 4.556 0.046 0.000 0.301 18 H C 2.125 177.443 175.328 -0.017 0.000 1.074 18 H CA 1.193 57.241 56.048 0.000 0.000 1.354 18 H CB 0.517 30.273 29.762 -0.009 0.000 1.397 18 H HN 0.326 nan 8.280 nan 0.000 0.516 19 A N 0.974 123.709 122.820 -0.142 0.000 2.015 19 A HA 0.013 4.358 4.320 0.041 0.000 0.219 19 A C 2.530 180.111 177.584 -0.004 0.000 1.163 19 A CA 1.091 52.961 52.037 -0.278 0.000 0.646 19 A CB -0.713 17.966 19.000 -0.534 0.000 0.806 19 A HN 0.550 nan 8.150 nan 0.000 0.448 20 A N -1.185 121.700 122.820 0.109 0.000 2.070 20 A HA -0.039 4.306 4.320 0.041 0.000 0.220 20 A C 1.865 179.567 177.584 0.196 0.000 1.159 20 A CA 1.561 53.741 52.037 0.238 0.000 0.656 20 A CB -0.332 18.753 19.000 0.141 0.000 0.800 20 A HN 0.404 nan 8.150 nan 0.000 0.453 21 M N -0.469 119.178 119.600 0.078 0.000 2.431 21 M HA 0.279 4.784 4.480 0.041 0.000 0.237 21 M C 0.925 177.241 176.300 0.027 0.000 1.130 21 M CA -0.098 55.228 55.300 0.042 0.000 1.002 21 M CB -1.056 31.552 32.600 0.013 0.000 1.524 21 M HN 0.383 nan 8.290 nan 0.000 0.482 22 A N 0.692 123.533 122.820 0.035 0.000 2.425 22 A HA 0.102 4.447 4.320 0.041 0.000 0.242 22 A C 0.945 178.611 177.584 0.137 0.000 1.077 22 A CA 0.007 52.038 52.037 -0.008 0.000 0.781 22 A CB 0.425 19.341 19.000 -0.139 0.000 1.020 22 A HN 0.278 nan 8.150 nan 0.000 0.494 23 D N -0.471 119.976 120.400 0.078 0.000 2.183 23 D HA 0.022 4.687 4.640 0.041 0.000 0.205 23 D C 1.051 177.436 176.300 0.141 0.000 0.962 23 D CA 1.955 56.013 54.000 0.096 0.000 0.849 23 D CB 0.090 40.919 40.800 0.049 0.000 0.978 23 D HN 0.761 nan 8.370 nan 0.000 0.488 24 T N -3.055 111.564 114.554 0.108 0.000 2.950 24 T HA 0.315 4.690 4.350 0.041 0.000 0.288 24 T C 1.042 175.780 174.700 0.064 0.000 1.035 24 T CA -0.754 61.428 62.100 0.136 0.000 1.028 24 T CB 0.884 69.825 68.868 0.121 0.000 1.109 24 T HN -0.211 nan 8.240 nan 0.000 0.514 25 F N 0.074 120.111 119.950 0.146 0.000 2.134 25 F HA 0.014 4.539 4.527 -0.003 0.000 0.299 25 F C 2.242 178.016 175.800 -0.044 0.000 1.097 25 F CA 1.164 59.183 58.000 0.032 0.000 1.264 25 F CB -0.437 38.620 39.000 0.095 0.000 1.001 25 F HN 0.465 nan 8.300 nan 0.000 0.479 26 L N 0.497 121.821 121.223 0.167 0.000 2.046 26 L HA -0.201 4.163 4.340 0.041 0.000 0.208 26 L C 2.210 179.080 176.870 -0.000 0.000 1.077 26 L CA 1.955 56.838 54.840 0.072 0.000 0.747 26 L CB -0.843 41.253 42.059 0.063 0.000 0.896 26 L HN 0.095 nan 8.230 nan 0.000 0.432 27 E N -1.433 118.753 120.200 -0.024 0.000 2.204 27 E HA -0.269 4.106 4.350 0.041 0.000 0.194 27 E C 2.130 178.637 176.600 -0.155 0.000 0.989 27 E CA 1.357 57.713 56.400 -0.072 0.000 0.824 27 E CB -0.238 29.428 29.700 -0.057 0.000 0.756 27 E HN 0.740 nan 8.360 nan 0.000 0.477 28 H N 0.271 119.125 119.070 -0.360 0.000 2.293 28 H HA 0.000 4.584 4.556 0.047 0.000 0.300 28 H C 1.743 176.895 175.328 -0.294 0.000 1.082 28 H CA 2.266 58.000 56.048 -0.524 0.000 1.308 28 H CB 0.174 29.257 29.762 -1.132 0.000 1.375 28 H HN 0.026 nan 8.280 nan 0.000 0.495 29 K N -0.523 119.791 120.400 -0.143 0.000 2.009 29 K HA -0.152 4.193 4.320 0.041 0.000 0.210 29 K C 2.424 178.948 176.600 -0.127 0.000 1.049 29 K CA 1.572 57.794 56.287 -0.108 0.000 0.929 29 K CB -0.400 32.093 32.500 -0.011 0.000 0.714 29 K HN 0.341 nan 8.250 nan 0.000 0.440 30 C N 0.594 119.836 119.300 -0.098 0.000 2.409 30 C HA -0.046 4.439 4.460 0.041 0.000 0.288 30 C C 2.179 177.119 174.990 -0.083 0.000 1.395 30 C CA 0.558 59.533 59.018 -0.072 0.000 1.792 30 C CB -1.001 26.710 27.740 -0.047 0.000 1.847 30 C HN 0.358 nan 8.230 nan 0.000 0.534 31 R N -0.397 120.015 120.500 -0.147 0.000 2.334 31 R HA 0.244 4.608 4.340 0.041 0.000 0.212 31 R C 0.171 176.396 176.300 -0.126 0.000 0.897 31 R CA -0.180 55.850 56.100 -0.117 0.000 1.056 31 R CB 0.034 30.211 30.300 -0.205 0.000 1.046 31 R HN 0.460 nan 8.270 nan 0.000 0.513 32 L N 2.342 123.452 121.223 -0.188 0.000 2.559 32 L HA -0.035 4.329 4.340 0.041 0.000 0.274 32 L C -0.136 176.686 176.870 -0.081 0.000 1.205 32 L CA 0.477 55.219 54.840 -0.163 0.000 0.907 32 L CB 0.068 42.031 42.059 -0.159 0.000 1.153 32 L HN -0.058 nan 8.230 nan 0.000 0.490 33 D N 3.654 124.018 120.400 -0.060 0.000 2.481 33 D HA 0.211 4.876 4.640 0.041 0.000 0.246 33 D C 0.798 177.077 176.300 -0.034 0.000 1.109 33 D CA -0.558 53.421 54.000 -0.036 0.000 0.845 33 D CB 1.487 42.276 40.800 -0.020 0.000 1.160 33 D HN 0.457 nan 8.370 nan 0.000 0.534 34 I N -0.025 120.526 120.570 -0.032 0.000 2.916 34 I HA 0.035 4.229 4.170 0.041 0.000 0.267 34 I C 0.357 176.456 176.117 -0.031 0.000 1.263 34 I CA 0.827 62.110 61.300 -0.029 0.000 1.471 34 I CB 0.224 38.209 38.000 -0.026 0.000 1.089 34 I HN 0.008 nan 8.210 nan 0.000 0.468 35 D N 0.978 121.357 120.400 -0.036 0.000 2.363 35 D HA 0.112 4.776 4.640 0.041 0.000 0.214 35 D C 0.537 176.804 176.300 -0.056 0.000 1.093 35 D CA 0.322 54.295 54.000 -0.045 0.000 0.837 35 D CB 0.492 41.263 40.800 -0.048 0.000 0.948 35 D HN 0.253 nan 8.370 nan 0.000 0.507 36 S N 0.656 116.329 115.700 -0.044 0.000 2.411 36 S HA 0.558 5.053 4.470 0.041 0.000 0.294 36 S C 0.011 174.591 174.600 -0.033 0.000 1.115 36 S CA -0.675 57.500 58.200 -0.041 0.000 1.071 36 S CB 0.427 63.613 63.200 -0.023 0.000 0.967 36 S HN 0.156 nan 8.310 nan 0.000 0.488 37 A N 7.627 130.423 122.820 -0.040 0.000 2.450 37 A HA 0.559 4.904 4.320 0.041 0.000 0.255 37 A C -2.105 175.471 177.584 -0.014 0.000 1.096 37 A CA -1.304 50.716 52.037 -0.029 0.000 0.778 37 A CB -0.139 18.839 19.000 -0.036 0.000 1.031 37 A HN 0.710 nan 8.150 nan 0.000 0.494 38 P HA 0.257 nan 4.420 nan 0.000 0.272 38 P C -0.061 177.238 177.300 -0.002 0.000 1.240 38 P CA -0.093 63.004 63.100 -0.005 0.000 0.791 38 P CB 0.399 32.091 31.700 -0.014 0.000 0.978 39 I N -2.591 117.977 120.570 -0.004 0.000 2.834 39 I HA 0.237 4.431 4.170 0.041 0.000 0.305 39 I C 1.282 177.399 176.117 0.001 0.000 1.008 39 I CA -0.534 60.765 61.300 -0.001 0.000 1.273 39 I CB -0.137 37.851 38.000 -0.019 0.000 1.432 39 I HN 0.145 nan 8.210 nan 0.000 0.557 40 T N 2.518 117.094 114.554 0.036 0.000 2.708 40 T HA -0.026 4.348 4.350 0.041 0.000 0.266 40 T C 1.115 175.864 174.700 0.083 0.000 1.037 40 T CA 1.371 63.530 62.100 0.099 0.000 1.146 40 T CB -0.308 68.669 68.868 0.182 0.000 0.865 40 T HN 0.788 nan 8.240 nan 0.000 0.435 41 A N 1.867 124.616 122.820 -0.119 0.000 2.507 41 A HA 0.407 4.752 4.320 0.041 0.000 0.235 41 A C 0.627 178.134 177.584 -0.128 0.000 1.070 41 A CA -0.042 51.768 52.037 -0.379 0.000 0.768 41 A CB 0.162 18.545 19.000 -1.029 0.000 1.011 41 A HN 0.307 nan 8.150 nan 0.000 0.502 42 R N 1.795 122.289 120.500 -0.010 0.000 2.502 42 R HA 0.239 4.604 4.340 0.041 0.000 0.300 42 R C -0.934 175.428 176.300 0.103 0.000 0.984 42 R CA -0.584 55.532 56.100 0.027 0.000 0.882 42 R CB 0.956 31.276 30.300 0.033 0.000 1.180 42 R HN 0.857 nan 8.270 nan 0.000 0.444 43 N N 1.017 119.759 118.700 0.070 0.000 2.388 43 N HA 0.027 4.792 4.740 0.041 0.000 0.176 43 N C -0.396 175.182 175.510 0.112 0.000 1.062 43 N CA 0.554 53.667 53.050 0.105 0.000 0.895 43 N CB 0.632 39.174 38.487 0.091 0.000 1.018 43 N HN 0.434 nan 8.380 nan 0.000 0.456 44 T N 0.637 115.241 114.554 0.084 0.000 2.743 44 T HA 0.417 4.792 4.350 0.041 0.000 0.293 44 T C 0.667 175.412 174.700 0.076 0.000 0.945 44 T CA -0.635 61.506 62.100 0.069 0.000 1.030 44 T CB 1.335 70.229 68.868 0.042 0.000 0.912 44 T HN 0.090 nan 8.240 nan 0.000 0.483 45 G N 2.824 111.668 108.800 0.073 0.000 2.406 45 G HA2 0.457 4.442 3.960 0.041 0.000 0.251 45 G HA3 0.457 4.442 3.960 0.041 0.000 0.251 45 G C -0.224 174.694 174.900 0.029 0.000 1.271 45 G CA -0.541 44.596 45.100 0.062 0.000 0.859 45 G HN 0.778 nan 8.290 nan 0.000 0.540 46 I N 2.774 123.349 120.570 0.008 0.000 2.297 46 I HA 0.243 4.437 4.170 0.041 0.000 0.291 46 I C 0.016 176.127 176.117 -0.009 0.000 1.033 46 I CA -0.237 61.067 61.300 0.006 0.000 1.253 46 I CB 1.050 39.061 38.000 0.018 0.000 1.396 46 I HN 0.214 nan 8.210 nan 0.000 0.476 47 I N 5.931 126.513 120.570 0.019 0.000 2.336 47 I HA 0.315 4.510 4.170 0.041 0.000 0.292 47 I C -0.568 175.583 176.117 0.057 0.000 0.991 47 I CA -0.355 60.977 61.300 0.052 0.000 1.227 47 I CB 1.438 39.495 38.000 0.095 0.000 1.366 47 I HN 0.521 nan 8.210 nan 0.000 0.466 48 C N 4.229 123.565 119.300 0.060 0.000 2.322 48 C HA 0.333 4.818 4.460 0.041 0.000 0.324 48 C C 0.559 175.597 174.990 0.079 0.000 1.249 48 C CA -0.569 58.483 59.018 0.058 0.000 1.453 48 C CB 0.976 28.738 27.740 0.035 0.000 2.145 48 C HN 0.694 nan 8.230 nan 0.000 0.466 49 T N 5.473 120.080 114.554 0.089 0.000 2.799 49 T HA 0.250 4.625 4.350 0.041 0.000 0.296 49 T C 0.275 175.033 174.700 0.097 0.000 0.947 49 T CA 0.175 62.339 62.100 0.106 0.000 1.141 49 T CB -0.014 68.920 68.868 0.110 0.000 0.891 49 T HN 0.390 nan 8.240 nan 0.000 0.533 50 I N 3.739 124.375 120.570 0.110 0.000 2.321 50 I HA 0.551 4.745 4.170 0.041 0.000 0.291 50 I C 0.870 177.064 176.117 0.128 0.000 0.998 50 I CA -0.193 61.167 61.300 0.101 0.000 1.227 50 I CB 0.657 38.709 38.000 0.088 0.000 1.368 50 I HN 0.743 nan 8.210 nan 0.000 0.466 51 G N 7.016 115.879 108.800 0.105 0.000 3.086 51 G HA2 0.550 4.534 3.960 0.041 0.000 0.282 51 G HA3 0.550 4.534 3.960 0.041 0.000 0.282 51 G C -2.267 172.692 174.900 0.098 0.000 1.343 51 G CA -0.665 44.509 45.100 0.123 0.000 0.895 51 G HN 0.287 nan 8.290 nan 0.000 0.557 52 P HA -0.192 nan 4.420 nan 0.000 0.218 52 P C 1.737 179.057 177.300 0.034 0.000 1.150 52 P CA 2.300 65.446 63.100 0.077 0.000 0.841 52 P CB 0.078 31.809 31.700 0.051 0.000 0.784 53 A N -0.063 122.771 122.820 0.024 0.000 2.016 53 A HA -0.040 4.304 4.320 0.041 0.000 0.217 53 A C 2.107 179.700 177.584 0.014 0.000 1.162 53 A CA 1.749 53.790 52.037 0.007 0.000 0.662 53 A CB -0.816 18.183 19.000 -0.003 0.000 0.812 53 A HN 0.392 nan 8.150 nan 0.000 0.450 54 S N -0.886 114.830 115.700 0.026 0.000 2.603 54 S HA 0.068 4.563 4.470 0.041 0.000 0.232 54 S C 1.518 176.131 174.600 0.022 0.000 1.016 54 S CA 0.173 58.390 58.200 0.028 0.000 0.976 54 S CB -0.144 63.079 63.200 0.038 0.000 0.921 54 S HN 0.740 nan 8.310 nan 0.000 0.516 55 R N 2.172 122.679 120.500 0.012 0.000 2.240 55 R HA 0.127 4.492 4.340 0.041 0.000 0.203 55 R C 0.922 177.206 176.300 -0.026 0.000 1.011 55 R CA 0.751 56.843 56.100 -0.013 0.000 1.007 55 R CB -0.543 29.727 30.300 -0.050 0.000 0.911 55 R HN 0.400 nan 8.270 nan 0.000 0.468 56 S N 0.027 115.719 115.700 -0.014 0.000 2.585 56 S HA 0.087 4.581 4.470 0.041 0.000 0.273 56 S C 1.429 176.028 174.600 -0.001 0.000 1.339 56 S CA -0.647 57.545 58.200 -0.014 0.000 1.028 56 S CB 1.779 64.974 63.200 -0.008 0.000 0.906 56 S HN -0.005 nan 8.310 nan 0.000 0.528 57 V N 2.361 122.273 119.914 -0.003 0.000 2.295 57 V HA -0.131 4.014 4.120 0.041 0.000 0.246 57 V C 2.691 178.793 176.094 0.015 0.000 1.049 57 V CA 2.132 64.436 62.300 0.007 0.000 1.024 57 V CB -1.018 30.804 31.823 -0.002 0.000 0.648 57 V HN 0.880 nan 8.190 nan 0.000 0.447 58 E N 0.144 120.348 120.200 0.007 0.000 2.077 58 E HA -0.184 4.191 4.350 0.041 0.000 0.193 58 E C 2.259 178.874 176.600 0.026 0.000 0.989 58 E CA 1.905 58.312 56.400 0.012 0.000 0.800 58 E CB -0.980 28.723 29.700 0.004 0.000 0.746 58 E HN 0.606 nan 8.360 nan 0.000 0.452 59 T N 2.350 116.917 114.554 0.022 0.000 2.708 59 T HA -0.085 4.290 4.350 0.041 0.000 0.266 59 T C 2.158 176.882 174.700 0.040 0.000 1.037 59 T CA 0.848 62.965 62.100 0.028 0.000 1.146 59 T CB -0.321 68.559 68.868 0.020 0.000 0.865 59 T HN 0.072 nan 8.240 nan 0.000 0.435 60 L N 0.329 121.576 121.223 0.041 0.000 2.127 60 L HA -0.126 4.239 4.340 0.041 0.000 0.211 60 L C 2.632 179.555 176.870 0.088 0.000 1.089 60 L CA 1.336 56.208 54.840 0.053 0.000 0.757 60 L CB -0.390 41.699 42.059 0.050 0.000 0.899 60 L HN 0.255 nan 8.230 nan 0.000 0.434 61 K N -0.479 119.987 120.400 0.109 0.000 2.057 61 K HA -0.139 4.206 4.320 0.041 0.000 0.206 61 K C 2.018 178.732 176.600 0.191 0.000 1.050 61 K CA 0.997 57.407 56.287 0.205 0.000 0.935 61 K CB 0.029 32.613 32.500 0.139 0.000 0.715 61 K HN 0.204 nan 8.250 nan 0.000 0.439 62 E N 0.417 120.682 120.200 0.108 0.000 2.204 62 E HA -0.113 4.261 4.350 0.041 0.000 0.194 62 E C 1.936 178.559 176.600 0.038 0.000 0.989 62 E CA 0.826 57.269 56.400 0.072 0.000 0.824 62 E CB -0.053 29.679 29.700 0.053 0.000 0.756 62 E HN 0.300 nan 8.360 nan 0.000 0.477 63 M N 0.194 119.816 119.600 0.037 0.000 2.117 63 M HA -0.100 4.405 4.480 0.041 0.000 0.262 63 M C 2.418 178.704 176.300 -0.023 0.000 1.065 63 M CA 1.163 56.471 55.300 0.013 0.000 1.114 63 M CB -0.685 31.928 32.600 0.021 0.000 1.361 63 M HN 0.089 nan 8.290 nan 0.000 0.408 64 I N -0.383 120.172 120.570 -0.026 0.000 2.286 64 I HA -0.279 3.916 4.170 0.041 0.000 0.245 64 I C 2.397 178.408 176.117 -0.177 0.000 1.104 64 I CA 1.042 62.270 61.300 -0.120 0.000 1.397 64 I CB -0.362 37.553 38.000 -0.142 0.000 1.072 64 I HN 0.282 nan 8.210 nan 0.000 0.417 65 K N 0.446 120.780 120.400 -0.110 0.000 2.063 65 K HA -0.125 4.220 4.320 0.041 0.000 0.208 65 K C 2.176 178.712 176.600 -0.107 0.000 1.048 65 K CA 1.620 57.847 56.287 -0.099 0.000 0.928 65 K CB -0.142 32.367 32.500 0.014 0.000 0.713 65 K HN 0.163 nan 8.250 nan 0.000 0.442 66 S N -1.148 114.501 115.700 -0.084 0.000 2.522 66 S HA 0.032 4.527 4.470 0.041 0.000 0.227 66 S C 1.151 175.658 174.600 -0.155 0.000 0.986 66 S CA 0.895 59.031 58.200 -0.108 0.000 0.929 66 S CB 0.693 63.865 63.200 -0.046 0.000 0.769 66 S HN 0.631 nan 8.310 nan 0.000 0.529 67 G N 0.746 109.471 108.800 -0.125 0.000 2.559 67 G HA2 -0.144 3.840 3.960 0.041 0.000 0.202 67 G HA3 -0.144 3.840 3.960 0.041 0.000 0.202 67 G C 0.101 174.951 174.900 -0.084 0.000 0.992 67 G CA -0.300 44.742 45.100 -0.098 0.000 0.764 67 G HN 0.373 nan 8.290 nan 0.000 0.525 68 M N 1.458 121.005 119.600 -0.089 0.000 2.290 68 M HA 0.260 4.765 4.480 0.041 0.000 0.356 68 M C 0.927 177.107 176.300 -0.200 0.000 1.448 68 M CA 1.215 56.455 55.300 -0.100 0.000 0.993 68 M CB 0.086 32.649 32.600 -0.062 0.000 1.934 68 M HN 0.272 nan 8.290 nan 0.000 0.461 69 N N 2.642 121.187 118.700 -0.258 0.000 2.382 69 N HA 0.192 4.957 4.740 0.041 0.000 0.200 69 N C -1.119 174.176 175.510 -0.358 0.000 1.122 69 N CA -0.290 52.428 53.050 -0.554 0.000 0.870 69 N CB 1.042 39.048 38.487 -0.802 0.000 1.176 69 N HN 0.396 nan 8.380 nan 0.000 0.474 70 V N 1.040 120.870 119.914 -0.141 0.000 2.577 70 V HA 0.683 4.828 4.120 0.041 0.000 0.303 70 V C -0.877 175.224 176.094 0.011 0.000 1.042 70 V CA -1.187 61.100 62.300 -0.022 0.000 0.872 70 V CB 1.510 33.372 31.823 0.066 0.000 0.998 70 V HN 0.120 nan 8.190 nan 0.000 0.423 71 A N 5.037 127.866 122.820 0.015 0.000 2.260 71 A HA 0.737 5.082 4.320 0.041 0.000 0.308 71 A C 0.023 177.627 177.584 0.033 0.000 1.254 71 A CA -0.498 51.559 52.037 0.033 0.000 0.874 71 A CB 0.414 19.434 19.000 0.034 0.000 1.153 71 A HN 0.841 nan 8.150 nan 0.000 0.527 72 R N 3.247 123.788 120.500 0.068 0.000 2.295 72 R HA 0.554 4.919 4.340 0.041 0.000 0.324 72 R C -1.322 175.047 176.300 0.115 0.000 0.968 72 R CA -0.619 55.524 56.100 0.071 0.000 0.837 72 R CB 0.647 31.048 30.300 0.167 0.000 1.133 72 R HN 0.639 nan 8.270 nan 0.000 0.450 73 M N 3.270 122.944 119.600 0.122 0.000 2.209 73 M HA 0.241 4.746 4.480 0.041 0.000 0.355 73 M C -0.335 176.099 176.300 0.223 0.000 1.171 73 M CA -0.790 54.644 55.300 0.222 0.000 1.069 73 M CB 1.279 34.066 32.600 0.313 0.000 1.622 73 M HN 0.385 nan 8.290 nan 0.000 0.459 74 N N 2.153 120.989 118.700 0.226 0.000 2.527 74 N HA 0.234 4.999 4.740 0.041 0.000 0.236 74 N C -0.601 174.998 175.510 0.150 0.000 0.999 74 N CA -0.087 53.088 53.050 0.208 0.000 0.935 74 N CB 0.154 38.766 38.487 0.208 0.000 1.132 74 N HN 0.470 nan 8.380 nan 0.000 0.511 75 F N 1.299 121.178 119.950 -0.118 0.000 2.804 75 F HA 0.130 4.682 4.527 0.041 0.000 0.303 75 F C 2.052 177.813 175.800 -0.064 0.000 1.154 75 F CA 0.103 58.003 58.000 -0.167 0.000 1.401 75 F CB -0.005 38.855 39.000 -0.233 0.000 1.106 75 F HN 0.455 nan 8.300 nan 0.000 0.568 76 S N -1.392 114.318 115.700 0.016 0.000 2.419 76 S HA -0.109 4.385 4.470 0.041 0.000 0.233 76 S C 0.226 174.528 174.600 -0.495 0.000 1.016 76 S CA 1.038 59.098 58.200 -0.234 0.000 0.974 76 S CB -0.374 62.623 63.200 -0.338 0.000 0.786 76 S HN 0.425 nan 8.310 nan 0.000 0.492 77 H N -1.440 117.669 119.070 0.065 0.000 2.865 77 H HA 0.602 5.182 4.556 0.041 0.000 0.372 77 H C 0.324 175.638 175.328 -0.023 0.000 1.173 77 H CA -0.155 55.892 56.048 -0.001 0.000 1.147 77 H CB 1.426 31.159 29.762 -0.048 0.000 1.805 77 H HN 0.244 nan 8.280 nan 0.000 0.553 78 G N 0.460 109.246 108.800 -0.024 0.000 2.730 78 G HA2 -0.056 3.928 3.960 0.041 0.000 0.686 78 G HA3 -0.056 3.928 3.960 0.041 0.000 0.686 78 G C -0.087 174.747 174.900 -0.111 0.000 1.343 78 G CA -0.493 44.446 45.100 -0.269 0.000 0.826 78 G HN 0.892 nan 8.290 nan 0.000 0.582 79 T N -2.078 112.402 114.554 -0.125 0.000 2.902 79 T HA 0.590 4.965 4.350 0.041 0.000 0.280 79 T C 1.352 176.097 174.700 0.075 0.000 0.992 79 T CA 0.346 62.460 62.100 0.023 0.000 1.015 79 T CB 1.369 70.247 68.868 0.017 0.000 1.044 79 T HN 0.672 nan 8.240 nan 0.000 0.520 80 H N -0.295 118.677 119.070 -0.163 0.000 2.387 80 H HA -0.097 4.484 4.556 0.041 0.000 0.299 80 H C 2.140 177.399 175.328 -0.115 0.000 1.099 80 H CA 1.623 57.414 56.048 -0.428 0.000 1.315 80 H CB 0.289 29.616 29.762 -0.724 0.000 1.380 80 H HN 0.761 nan 8.280 nan 0.000 0.513 81 E N 0.553 120.825 120.200 0.121 0.000 2.077 81 E HA -0.192 4.183 4.350 0.041 0.000 0.193 81 E C 1.953 178.621 176.600 0.114 0.000 0.989 81 E CA 0.755 57.238 56.400 0.140 0.000 0.800 81 E CB -0.067 29.692 29.700 0.099 0.000 0.746 81 E HN 0.461 nan 8.360 nan 0.000 0.452 82 Y N 0.878 121.130 120.300 -0.080 0.000 2.114 82 Y HA -0.245 4.329 4.550 0.041 0.000 0.284 82 Y C 2.371 178.162 175.900 -0.181 0.000 1.143 82 Y CA 2.057 60.048 58.100 -0.182 0.000 1.135 82 Y CB -0.232 38.026 38.460 -0.338 0.000 0.980 82 Y HN 0.174 nan 8.280 nan 0.000 0.499 83 H N -0.628 118.503 119.070 0.101 0.000 2.423 83 H HA -0.042 4.539 4.556 0.041 0.000 0.297 83 H C 2.292 177.719 175.328 0.165 0.000 1.075 83 H CA 1.046 57.131 56.048 0.063 0.000 1.342 83 H CB -0.542 29.155 29.762 -0.108 0.000 1.395 83 H HN 0.527 nan 8.280 nan 0.000 0.530 84 A N 1.206 124.245 122.820 0.365 0.000 1.933 84 A HA -0.208 4.136 4.320 0.041 0.000 0.218 84 A C 2.406 180.065 177.584 0.124 0.000 1.175 84 A CA 1.778 54.010 52.037 0.325 0.000 0.628 84 A CB -0.332 18.926 19.000 0.430 0.000 0.814 84 A HN 0.500 nan 8.150 nan 0.000 0.444 85 E N -0.496 119.719 120.200 0.025 0.000 2.072 85 E HA -0.135 4.239 4.350 0.041 0.000 0.191 85 E C 1.911 178.460 176.600 -0.085 0.000 0.985 85 E CA 1.823 58.186 56.400 -0.061 0.000 0.801 85 E CB -0.360 29.251 29.700 -0.149 0.000 0.750 85 E HN 0.482 nan 8.360 nan 0.000 0.452 86 T N 1.117 115.592 114.554 -0.132 0.000 2.652 86 T HA -0.152 4.223 4.350 0.041 0.000 0.267 86 T C 1.889 176.599 174.700 0.017 0.000 1.039 86 T CA 1.612 63.664 62.100 -0.079 0.000 1.153 86 T CB -0.299 68.537 68.868 -0.054 0.000 0.863 86 T HN 0.185 nan 8.240 nan 0.000 0.428 87 I N 0.757 121.371 120.570 0.073 0.000 2.264 87 I HA -0.195 4.000 4.170 0.041 0.000 0.248 87 I C 2.650 178.795 176.117 0.046 0.000 1.111 87 I CA 1.303 62.649 61.300 0.077 0.000 1.382 87 I CB -0.302 37.762 38.000 0.107 0.000 1.060 87 I HN 0.205 nan 8.210 nan 0.000 0.418 88 K N 0.909 121.330 120.400 0.035 0.000 2.057 88 K HA -0.184 4.161 4.320 0.041 0.000 0.207 88 K C 1.833 178.444 176.600 0.018 0.000 1.049 88 K CA 1.597 57.898 56.287 0.022 0.000 0.931 88 K CB 0.035 32.545 32.500 0.016 0.000 0.714 88 K HN 0.249 nan 8.250 nan 0.000 0.440 89 N N 0.246 118.949 118.700 0.006 0.000 2.270 89 N HA -0.107 4.658 4.740 0.041 0.000 0.181 89 N C 1.689 177.216 175.510 0.028 0.000 1.016 89 N CA 0.803 53.857 53.050 0.007 0.000 0.870 89 N CB -0.216 38.262 38.487 -0.016 0.000 0.979 89 N HN -0.024 nan 8.380 nan 0.000 0.431 90 V N 1.268 121.203 119.914 0.035 0.000 2.261 90 V HA -0.221 3.924 4.120 0.041 0.000 0.246 90 V C 2.317 178.452 176.094 0.069 0.000 1.047 90 V CA 1.624 63.954 62.300 0.051 0.000 1.015 90 V CB -0.385 31.468 31.823 0.049 0.000 0.642 90 V HN 0.229 nan 8.190 nan 0.000 0.446 91 R N -0.441 120.097 120.500 0.064 0.000 2.081 91 R HA -0.137 4.228 4.340 0.041 0.000 0.235 91 R C 2.453 178.806 176.300 0.088 0.000 1.131 91 R CA 1.967 58.115 56.100 0.081 0.000 0.960 91 R CB -0.686 29.651 30.300 0.061 0.000 0.856 91 R HN 0.528 nan 8.270 nan 0.000 0.436 92 T N 0.685 115.275 114.554 0.060 0.000 2.652 92 T HA -0.185 4.190 4.350 0.041 0.000 0.267 92 T C 1.914 176.650 174.700 0.059 0.000 1.039 92 T CA 1.509 63.637 62.100 0.046 0.000 1.153 92 T CB -0.391 68.489 68.868 0.021 0.000 0.863 92 T HN 0.403 nan 8.240 nan 0.000 0.428 93 A N 1.454 124.317 122.820 0.072 0.000 1.873 93 A HA -0.206 4.139 4.320 0.041 0.000 0.218 93 A C 2.574 180.299 177.584 0.234 0.000 1.193 93 A CA 2.508 54.611 52.037 0.110 0.000 0.629 93 A CB -1.502 17.570 19.000 0.119 0.000 0.826 93 A HN 0.504 nan 8.150 nan 0.000 0.447 94 T N 0.064 114.760 114.554 0.237 0.000 2.684 94 T HA -0.126 4.249 4.350 0.041 0.000 0.267 94 T C 1.619 176.597 174.700 0.463 0.000 1.036 94 T CA 1.621 63.908 62.100 0.311 0.000 1.148 94 T CB -0.285 68.701 68.868 0.196 0.000 0.863 94 T HN 0.474 nan 8.240 nan 0.000 0.436 95 E N 1.405 121.789 120.200 0.308 0.000 2.482 95 E HA 0.019 4.394 4.350 0.041 0.000 0.196 95 E C 2.356 179.052 176.600 0.159 0.000 1.047 95 E CA 0.412 56.969 56.400 0.261 0.000 0.869 95 E CB -0.421 29.359 29.700 0.134 0.000 0.836 95 E HN 0.669 nan 8.360 nan 0.000 0.520 96 S N -0.577 115.164 115.700 0.069 0.000 2.515 96 S HA -0.036 4.459 4.470 0.041 0.000 0.231 96 S C 1.382 175.826 174.600 -0.261 0.000 0.987 96 S CA 0.292 58.398 58.200 -0.157 0.000 0.936 96 S CB -0.388 62.627 63.200 -0.309 0.000 0.766 96 S HN 0.134 nan 8.310 nan 0.000 0.528 97 F N 1.044 121.094 119.950 0.167 0.000 2.721 97 F HA 0.553 5.105 4.527 0.042 0.000 0.301 97 F C 2.277 178.242 175.800 0.274 0.000 1.096 97 F CA -0.125 58.001 58.000 0.210 0.000 1.308 97 F CB -0.218 38.907 39.000 0.208 0.000 1.086 97 F HN 0.260 nan 8.300 nan 0.000 0.587 98 A N 0.074 123.079 122.820 0.308 0.000 2.216 98 A HA -0.135 4.210 4.320 0.041 0.000 0.214 98 A C 2.276 179.848 177.584 -0.019 0.000 1.160 98 A CA 1.509 53.525 52.037 -0.035 0.000 0.725 98 A CB -0.925 17.952 19.000 -0.205 0.000 0.784 98 A HN 0.358 nan 8.150 nan 0.000 0.472 99 S N -0.965 114.763 115.700 0.047 0.000 2.474 99 S HA -0.073 4.421 4.470 0.041 0.000 0.235 99 S C 0.485 175.112 174.600 0.045 0.000 0.997 99 S CA 0.932 59.148 58.200 0.027 0.000 0.949 99 S CB -0.083 63.130 63.200 0.021 0.000 0.766 99 S HN 0.392 nan 8.310 nan 0.000 0.517 100 D N 1.991 122.449 120.400 0.096 0.000 2.432 100 D HA 0.356 5.021 4.640 0.041 0.000 0.265 100 D C -1.971 174.408 176.300 0.130 0.000 1.160 100 D CA -2.395 51.665 54.000 0.100 0.000 0.911 100 D CB 1.732 42.603 40.800 0.118 0.000 1.052 100 D HN 0.058 nan 8.370 nan 0.000 0.508 101 P HA -0.108 nan 4.420 nan 0.000 0.223 101 P C 1.656 179.026 177.300 0.116 0.000 1.144 101 P CA 0.397 63.545 63.100 0.080 0.000 0.783 101 P CB 0.808 32.517 31.700 0.015 0.000 0.771 102 I N -0.439 120.182 120.570 0.084 0.000 2.142 102 I HA -0.194 4.001 4.170 0.041 0.000 0.240 102 I C 2.372 178.537 176.117 0.079 0.000 1.078 102 I CA 1.660 62.996 61.300 0.060 0.000 1.343 102 I CB -0.702 37.311 38.000 0.021 0.000 1.046 102 I HN -0.172 nan 8.210 nan 0.000 0.405 103 L N -1.490 119.792 121.223 0.098 0.000 2.607 103 L HA 0.077 4.442 4.340 0.041 0.000 0.228 103 L C 0.264 177.197 176.870 0.106 0.000 1.123 103 L CA -0.387 54.502 54.840 0.081 0.000 0.890 103 L CB -0.370 41.725 42.059 0.060 0.000 1.103 103 L HN 0.148 nan 8.230 nan 0.000 0.468 104 Y N 2.647 122.980 120.300 0.055 0.000 2.721 104 Y HA 0.035 4.610 4.550 0.041 0.000 0.329 104 Y C 0.373 176.276 175.900 0.005 0.000 1.211 104 Y CA -0.139 57.992 58.100 0.053 0.000 1.512 104 Y CB 0.261 38.771 38.460 0.082 0.000 1.249 104 Y HN 0.022 nan 8.280 nan 0.000 0.549 105 R N 8.117 128.143 120.500 -0.790 0.000 2.275 105 R HA 0.320 4.685 4.340 0.041 0.000 0.326 105 R C -2.577 173.235 176.300 -0.813 0.000 0.973 105 R CA -1.939 53.781 56.100 -0.633 0.000 0.854 105 R CB 0.767 30.786 30.300 -0.467 0.000 1.156 105 R HN 0.515 nan 8.270 nan 0.000 0.487 106 P HA -0.048 nan 4.420 nan 0.000 0.265 106 P C -0.760 176.548 177.300 0.015 0.000 1.187 106 P CA 0.013 63.021 63.100 -0.153 0.000 0.766 106 P CB 0.705 32.427 31.700 0.037 0.000 0.820 107 V N 2.239 122.171 119.914 0.031 0.000 2.588 107 V HA 0.638 4.783 4.120 0.041 0.000 0.304 107 V C 0.121 176.263 176.094 0.081 0.000 1.042 107 V CA -0.853 61.455 62.300 0.012 0.000 0.877 107 V CB 1.736 33.534 31.823 -0.042 0.000 0.996 107 V HN 0.650 nan 8.190 nan 0.000 0.425 108 A N 4.212 127.087 122.820 0.092 0.000 2.303 108 A HA 0.861 5.206 4.320 0.041 0.000 0.317 108 A C -0.629 176.975 177.584 0.035 0.000 1.149 108 A CA -0.524 51.567 52.037 0.090 0.000 0.822 108 A CB 1.366 20.449 19.000 0.137 0.000 1.131 108 A HN 0.712 nan 8.150 nan 0.000 0.493 109 V N 1.410 121.331 119.914 0.011 0.000 2.384 109 V HA 0.633 4.778 4.120 0.041 0.000 0.287 109 V C 0.352 176.385 176.094 -0.103 0.000 1.020 109 V CA -0.203 62.084 62.300 -0.022 0.000 0.850 109 V CB 1.140 32.961 31.823 -0.003 0.000 0.987 109 V HN 1.156 nan 8.190 nan 0.000 0.436 110 A N 5.342 128.050 122.820 -0.186 0.000 2.331 110 A HA 0.808 5.153 4.320 0.041 0.000 0.320 110 A C -0.851 176.505 177.584 -0.381 0.000 1.138 110 A CA -0.542 51.226 52.037 -0.449 0.000 0.790 110 A CB 1.123 19.563 19.000 -0.934 0.000 1.206 110 A HN 0.905 nan 8.150 nan 0.000 0.470 111 L N 2.806 123.796 121.223 -0.388 0.000 2.260 111 L HA 0.352 4.717 4.340 0.041 0.000 0.289 111 L C -0.646 176.025 176.870 -0.333 0.000 1.057 111 L CA -0.419 54.216 54.840 -0.341 0.000 0.811 111 L CB 0.702 42.495 42.059 -0.443 0.000 1.184 111 L HN 0.707 nan 8.230 nan 0.000 0.429 112 D N 4.202 124.510 120.400 -0.153 0.000 2.373 112 D HA 0.119 4.783 4.640 0.041 0.000 0.227 112 D C -0.251 176.064 176.300 0.024 0.000 1.091 112 D CA -0.260 53.744 54.000 0.006 0.000 0.840 112 D CB 1.315 42.207 40.800 0.155 0.000 1.060 112 D HN 0.589 nan 8.370 nan 0.000 0.502 113 T N 1.131 115.678 114.554 -0.011 0.000 2.919 113 T HA 0.078 4.452 4.350 0.041 0.000 0.302 113 T C 1.350 176.094 174.700 0.072 0.000 1.031 113 T CA -0.413 61.685 62.100 -0.005 0.000 1.127 113 T CB 1.902 70.763 68.868 -0.013 0.000 0.952 113 T HN 0.461 nan 8.240 nan 0.000 0.540 114 K N 3.031 123.488 120.400 0.096 0.000 2.001 114 K HA 0.035 4.380 4.320 0.041 0.000 0.214 114 K C 1.385 178.059 176.600 0.124 0.000 1.050 114 K CA 1.627 57.970 56.287 0.093 0.000 0.934 114 K CB -1.135 31.410 32.500 0.074 0.000 0.718 114 K HN 1.196 nan 8.250 nan 0.000 0.443 115 G N -0.068 108.793 108.800 0.101 0.000 2.598 115 G HA2 -0.228 3.757 3.960 0.041 0.000 0.244 115 G HA3 -0.228 3.757 3.960 0.041 0.000 0.244 115 G C -2.472 172.468 174.900 0.067 0.000 1.302 115 G CA -0.084 45.087 45.100 0.119 0.000 0.903 115 G HN 0.341 nan 8.290 nan 0.000 0.575 116 P HA 0.329 nan 4.420 nan 0.000 0.225 116 P C -0.227 176.892 177.300 -0.301 0.000 1.830 116 P CA 0.036 63.048 63.100 -0.147 0.000 1.051 116 P CB 0.049 31.637 31.700 -0.187 0.000 1.929 117 E N 1.364 121.465 120.200 -0.166 0.000 2.349 117 E HA 0.362 4.736 4.350 0.041 0.000 0.265 117 E C -0.039 176.431 176.600 -0.217 0.000 1.064 117 E CA -0.674 55.618 56.400 -0.179 0.000 0.886 117 E CB 0.860 30.541 29.700 -0.032 0.000 1.036 117 E HN 0.251 nan 8.360 nan 0.000 0.413 118 I N 1.691 122.130 120.570 -0.220 0.000 2.562 118 I HA 0.394 4.589 4.170 0.041 0.000 0.301 118 I C 0.069 176.138 176.117 -0.080 0.000 1.003 118 I CA -0.357 60.838 61.300 -0.175 0.000 1.127 118 I CB 1.417 39.294 38.000 -0.206 0.000 1.304 118 I HN 0.271 nan 8.210 nan 0.000 0.446 119 R N 1.658 122.122 120.500 -0.060 0.000 2.707 119 R HA 0.560 4.924 4.340 0.041 0.000 0.272 119 R C -0.766 175.535 176.300 0.002 0.000 1.011 119 R CA -0.842 55.262 56.100 0.007 0.000 0.893 119 R CB 2.382 32.718 30.300 0.061 0.000 1.233 119 R HN 0.784 nan 8.270 nan 0.000 0.464 120 T N -1.352 113.244 114.554 0.071 0.000 2.754 120 T HA 0.402 4.777 4.350 0.041 0.000 0.286 120 T C 0.954 175.829 174.700 0.292 0.000 0.997 120 T CA -0.222 61.954 62.100 0.127 0.000 0.982 120 T CB 1.191 70.131 68.868 0.120 0.000 1.027 120 T HN 0.610 nan 8.240 nan 0.000 0.529 121 G N -0.133 108.926 108.800 0.432 0.000 3.086 121 G HA2 0.520 4.505 3.960 0.041 0.000 0.159 121 G HA3 0.520 4.505 3.960 0.041 0.000 0.159 121 G C -0.622 174.409 174.900 0.217 0.000 1.654 121 G CA -0.601 44.764 45.100 0.443 0.000 1.078 121 G HN 0.619 nan 8.290 nan 0.000 0.558 133 L N 4.093 125.242 121.223 -0.123 0.000 2.381 133 L HA 0.576 4.940 4.340 0.041 0.000 0.274 133 L C -0.044 176.779 176.870 -0.079 0.000 0.988 133 L CA -1.000 53.794 54.840 -0.077 0.000 0.824 133 L CB 1.948 43.980 42.059 -0.046 0.000 1.263 133 L HN 0.359 nan 8.230 nan 0.000 0.410 134 K N 2.894 123.255 120.400 -0.066 0.000 2.205 134 K HA 0.201 4.546 4.320 0.041 0.000 0.279 134 K C -0.060 176.515 176.600 -0.042 0.000 1.027 134 K CA -0.573 55.680 56.287 -0.056 0.000 0.932 134 K CB 1.323 33.793 32.500 -0.049 0.000 1.032 134 K HN 0.388 nan 8.250 nan 0.000 0.466 135 K N 1.565 121.943 120.400 -0.036 0.000 2.472 135 K HA -0.082 4.262 4.320 0.041 0.000 0.280 135 K C 0.455 177.039 176.600 -0.026 0.000 1.028 135 K CA 1.178 57.448 56.287 -0.028 0.000 1.045 135 K CB 0.013 32.501 32.500 -0.021 0.000 0.902 135 K HN 0.853 nan 8.250 nan 0.000 0.478 136 G N 1.973 110.757 108.800 -0.027 0.000 2.143 136 G HA2 -0.270 3.714 3.960 0.041 0.000 0.249 136 G HA3 -0.270 3.714 3.960 0.041 0.000 0.249 136 G C -0.029 174.856 174.900 -0.024 0.000 0.981 136 G CA 0.195 45.280 45.100 -0.025 0.000 0.665 136 G HN 0.909 nan 8.290 nan 0.000 0.528 137 A N -0.231 122.572 122.820 -0.028 0.000 2.303 137 A HA 0.828 5.173 4.320 0.041 0.000 0.317 137 A C 0.552 178.121 177.584 -0.026 0.000 1.149 137 A CA 0.743 52.765 52.037 -0.026 0.000 0.822 137 A CB 1.071 20.054 19.000 -0.029 0.000 1.131 137 A HN 1.405 nan 8.150 nan 0.000 0.493 138 T N 1.545 116.086 114.554 -0.021 0.000 2.832 138 T HA 0.456 4.831 4.350 0.041 0.000 0.296 138 T C -0.672 174.017 174.700 -0.018 0.000 0.968 138 T CA -0.096 61.993 62.100 -0.018 0.000 1.107 138 T CB -0.256 68.606 68.868 -0.010 0.000 0.916 138 T HN 0.880 nan 8.240 nan 0.000 0.517 139 L N 4.702 125.914 121.223 -0.019 0.000 2.381 139 L HA 0.595 4.960 4.340 0.041 0.000 0.274 139 L C -0.459 176.405 176.870 -0.010 0.000 0.988 139 L CA -0.582 54.246 54.840 -0.019 0.000 0.824 139 L CB 1.739 43.783 42.059 -0.024 0.000 1.263 139 L HN 0.676 nan 8.230 nan 0.000 0.410 140 K N 5.905 126.298 120.400 -0.012 0.000 2.284 140 K HA 0.472 4.816 4.320 0.041 0.000 0.287 140 K C -0.941 175.657 176.600 -0.003 0.000 1.081 140 K CA -0.323 55.967 56.287 0.006 0.000 0.910 140 K CB 0.362 32.852 32.500 -0.018 0.000 1.088 140 K HN 0.708 nan 8.250 nan 0.000 0.478 141 I N 3.388 123.969 120.570 0.018 0.000 2.342 141 I HA 0.148 4.342 4.170 0.041 0.000 0.291 141 I C 0.384 176.529 176.117 0.046 0.000 1.010 141 I CA -0.296 61.008 61.300 0.007 0.000 1.308 141 I CB 1.757 39.743 38.000 -0.023 0.000 1.400 141 I HN 0.577 nan 8.210 nan 0.000 0.488 142 T N 5.764 120.346 114.554 0.048 0.000 2.896 142 T HA 0.579 4.954 4.350 0.041 0.000 0.297 142 T C 0.427 175.193 174.700 0.109 0.000 1.108 142 T CA -0.550 61.620 62.100 0.116 0.000 1.004 142 T CB 1.390 70.341 68.868 0.139 0.000 1.159 142 T HN 0.485 nan 8.240 nan 0.000 0.499 143 L N 0.905 122.220 121.223 0.152 0.000 2.693 143 L HA 0.412 4.776 4.340 0.041 0.000 0.235 143 L C 0.498 177.641 176.870 0.455 0.000 1.127 143 L CA -0.330 54.583 54.840 0.122 0.000 0.914 143 L CB 0.051 42.137 42.059 0.046 0.000 1.193 143 L HN 0.507 nan 8.230 nan 0.000 0.502 144 D N 1.386 122.071 120.400 0.474 0.000 2.434 144 D HA -0.036 4.629 4.640 0.041 0.000 0.252 144 D C 0.495 177.006 176.300 0.353 0.000 1.185 144 D CA 0.259 54.490 54.000 0.385 0.000 0.886 144 D CB 0.593 41.600 40.800 0.344 0.000 1.148 144 D HN 0.040 nan 8.370 nan 0.000 0.483 145 N N 2.552 121.358 118.700 0.177 0.000 2.466 145 N HA 0.134 4.899 4.740 0.041 0.000 0.211 145 N C 0.455 175.830 175.510 -0.225 0.000 1.256 145 N CA 0.082 53.082 53.050 -0.083 0.000 0.840 145 N CB 0.502 38.995 38.487 0.009 0.000 1.079 145 N HN 0.384 nan 8.380 nan 0.000 0.466 146 A N -1.037 121.641 122.820 -0.237 0.000 2.390 146 A HA 0.187 4.532 4.320 0.041 0.000 0.232 146 A C 0.403 177.661 177.584 -0.543 0.000 1.233 146 A CA 0.091 51.892 52.037 -0.393 0.000 0.907 146 A CB 0.083 18.810 19.000 -0.456 0.000 0.967 146 A HN 0.296 nan 8.150 nan 0.000 0.512 147 Y N -0.574 119.592 120.300 -0.225 0.000 2.527 147 Y HA 0.155 4.729 4.550 0.041 0.000 0.247 147 Y C 1.922 177.631 175.900 -0.318 0.000 1.138 147 Y CA 0.128 58.127 58.100 -0.168 0.000 1.228 147 Y CB -0.223 38.246 38.460 0.015 0.000 1.252 147 Y HN 0.431 nan 8.280 nan 0.000 0.531 148 M N -1.262 117.953 119.600 -0.642 0.000 2.706 148 M HA -0.002 4.503 4.480 0.041 0.000 0.251 148 M C 0.303 176.393 176.300 -0.350 0.000 1.070 148 M CA 1.881 56.596 55.300 -0.975 0.000 1.073 148 M CB -0.023 31.546 32.600 -1.719 0.000 1.449 148 M HN 0.138 nan 8.290 nan 0.000 0.531 149 E N 0.554 120.646 120.200 -0.180 0.000 2.641 149 E HA 0.182 4.557 4.350 0.041 0.000 0.224 149 E C -0.200 176.398 176.600 -0.003 0.000 0.951 149 E CA 0.001 56.358 56.400 -0.073 0.000 1.102 149 E CB 0.827 30.474 29.700 -0.089 0.000 1.091 149 E HN 0.523 nan 8.360 nan 0.000 0.507 150 K N 1.033 121.455 120.400 0.037 0.000 3.237 150 K HA 0.287 4.632 4.320 0.041 0.000 0.197 150 K C -0.841 175.829 176.600 0.116 0.000 1.133 150 K CA -0.299 56.035 56.287 0.078 0.000 0.944 150 K CB 0.638 33.190 32.500 0.087 0.000 0.952 150 K HN -0.031 nan 8.250 nan 0.000 0.515 151 C N 1.473 120.839 119.300 0.111 0.000 2.648 151 C HA 0.177 4.662 4.460 0.041 0.000 0.419 151 C C 0.778 175.813 174.990 0.074 0.000 1.352 151 C CA 0.008 59.094 59.018 0.114 0.000 1.816 151 C CB -0.375 27.450 27.740 0.142 0.000 2.598 151 C HN 0.563 nan 8.230 nan 0.000 0.598 152 D N 0.369 120.798 120.400 0.048 0.000 2.687 152 D HA 0.294 4.959 4.640 0.041 0.000 0.264 152 D C 0.741 177.048 176.300 0.013 0.000 1.091 152 D CA -0.595 53.421 54.000 0.027 0.000 1.123 152 D CB 0.891 41.699 40.800 0.013 0.000 1.407 152 D HN 0.515 nan 8.370 nan 0.000 0.591 153 E N -0.491 119.711 120.200 0.003 0.000 2.051 153 E HA -0.092 4.282 4.350 0.041 0.000 0.192 153 E C 0.834 177.424 176.600 -0.017 0.000 0.991 153 E CA 1.560 57.955 56.400 -0.009 0.000 0.799 153 E CB -0.074 29.617 29.700 -0.014 0.000 0.748 153 E HN 0.372 nan 8.360 nan 0.000 0.449 154 N N -0.843 117.843 118.700 -0.023 0.000 2.254 154 N HA 0.233 4.998 4.740 0.041 0.000 0.190 154 N C -0.580 174.897 175.510 -0.055 0.000 1.107 154 N CA 0.020 53.050 53.050 -0.033 0.000 0.869 154 N CB 1.018 39.486 38.487 -0.031 0.000 0.983 154 N HN 0.022 nan 8.380 nan 0.000 0.487 155 I N 1.358 121.887 120.570 -0.068 0.000 2.497 155 I HA 0.291 4.486 4.170 0.041 0.000 0.284 155 I C -1.511 174.570 176.117 -0.060 0.000 1.060 155 I CA -0.763 60.462 61.300 -0.126 0.000 1.071 155 I CB 2.038 39.862 38.000 -0.294 0.000 1.216 155 I HN -0.114 nan 8.210 nan 0.000 0.442 156 L N 6.637 127.850 121.223 -0.017 0.000 2.341 156 L HA 0.599 4.963 4.340 0.041 0.000 0.278 156 L C -1.408 175.541 176.870 0.131 0.000 1.005 156 L CA -0.175 54.702 54.840 0.063 0.000 0.818 156 L CB 1.697 43.779 42.059 0.040 0.000 1.259 156 L HN 0.652 nan 8.230 nan 0.000 0.418 157 W N 7.054 128.368 121.300 0.022 0.000 2.551 157 W HA 0.661 5.345 4.660 0.041 0.000 0.330 157 W C -1.586 174.972 176.519 0.064 0.000 1.063 157 W CA -0.639 56.742 57.345 0.059 0.000 1.222 157 W CB 1.383 30.910 29.460 0.112 0.000 1.349 157 W HN 0.489 nan 8.180 nan 0.000 0.536 158 L N 2.027 122.666 121.223 -0.974 0.000 2.341 158 L HA 0.602 4.967 4.340 0.041 0.000 0.254 158 L C 0.084 175.952 176.870 -1.669 0.000 1.040 158 L CA -0.885 53.314 54.840 -1.069 0.000 0.837 158 L CB 1.461 43.277 42.059 -0.405 0.000 1.425 158 L HN 0.565 nan 8.230 nan 0.000 0.414 159 D N -2.136 117.712 120.400 -0.920 0.000 2.349 159 D HA 0.038 4.702 4.640 0.041 0.000 0.214 159 D C -0.084 176.146 176.300 -0.118 0.000 1.063 159 D CA 0.069 53.784 54.000 -0.475 0.000 0.847 159 D CB -0.050 40.684 40.800 -0.110 0.000 0.933 159 D HN 0.384 nan 8.370 nan 0.000 0.513 160 Y N 2.111 122.242 120.300 -0.282 0.000 2.365 160 Y HA 0.263 4.837 4.550 0.041 0.000 0.340 160 Y C 0.957 176.777 175.900 -0.132 0.000 1.016 160 Y CA -1.256 56.745 58.100 -0.166 0.000 1.196 160 Y CB 1.129 39.496 38.460 -0.155 0.000 1.167 160 Y HN -0.232 nan 8.280 nan 0.000 0.509 161 K N 3.630 124.072 120.400 0.070 0.000 2.168 161 K HA 0.023 4.368 4.320 0.041 0.000 0.201 161 K C 0.942 177.394 176.600 -0.246 0.000 1.049 161 K CA 0.968 57.213 56.287 -0.071 0.000 0.974 161 K CB 0.089 32.605 32.500 0.027 0.000 0.792 161 K HN 0.673 nan 8.250 nan 0.000 0.463 162 N N 1.839 120.304 118.700 -0.391 0.000 2.494 162 N HA 0.015 4.779 4.740 0.041 0.000 0.182 162 N C 1.756 176.861 175.510 -0.675 0.000 1.076 162 N CA 0.044 52.845 53.050 -0.414 0.000 0.908 162 N CB -0.116 38.265 38.487 -0.177 0.000 0.967 162 N HN 0.088 nan 8.380 nan 0.000 0.449 163 I N 0.849 120.684 120.570 -1.224 0.000 2.121 163 I HA -0.480 3.714 4.170 0.041 0.000 0.243 163 I C 1.229 177.111 176.117 -0.392 0.000 1.047 163 I CA 1.542 62.289 61.300 -0.921 0.000 1.308 163 I CB -0.170 37.463 38.000 -0.611 0.000 1.015 163 I HN 0.285 nan 8.210 nan 0.000 0.410 164 C N 0.729 119.850 119.300 -0.298 0.000 2.422 164 C HA -0.111 4.374 4.460 0.041 0.000 0.286 164 C C 2.393 177.287 174.990 -0.161 0.000 1.412 164 C CA 0.899 59.799 59.018 -0.197 0.000 1.786 164 C CB -1.485 26.153 27.740 -0.169 0.000 1.835 164 C HN 0.513 nan 8.230 nan 0.000 0.533 165 K N 0.879 121.178 120.400 -0.168 0.000 2.361 165 K HA 0.036 4.381 4.320 0.041 0.000 0.196 165 K C 1.672 178.219 176.600 -0.087 0.000 1.039 165 K CA 0.983 57.202 56.287 -0.113 0.000 1.001 165 K CB 0.063 32.505 32.500 -0.096 0.000 0.795 165 K HN 0.563 nan 8.250 nan 0.000 0.495 166 V N -1.744 118.110 119.914 -0.101 0.000 3.661 166 V HA 0.128 4.272 4.120 0.041 0.000 0.271 166 V C 0.610 176.685 176.094 -0.031 0.000 1.315 166 V CA -0.561 61.715 62.300 -0.040 0.000 1.072 166 V CB 0.001 31.838 31.823 0.022 0.000 0.830 166 V HN -0.031 nan 8.190 nan 0.000 0.443 167 V N -1.390 118.488 119.914 -0.060 0.000 2.630 167 V HA 0.701 4.845 4.120 0.041 0.000 0.305 167 V C -0.798 175.259 176.094 -0.061 0.000 1.046 167 V CA -0.555 61.715 62.300 -0.050 0.000 0.934 167 V CB 1.680 33.469 31.823 -0.056 0.000 1.003 167 V HN 0.254 nan 8.190 nan 0.000 0.451 168 D N 1.375 121.744 120.400 -0.051 0.000 2.392 168 D HA 0.490 5.155 4.640 0.041 0.000 0.246 168 D C -0.554 175.711 176.300 -0.058 0.000 1.013 168 D CA -0.381 53.587 54.000 -0.053 0.000 0.993 168 D CB 2.405 43.181 40.800 -0.040 0.000 1.219 168 D HN 0.514 nan 8.370 nan 0.000 0.538 169 V N 0.956 120.835 119.914 -0.058 0.000 2.485 169 V HA 0.382 4.527 4.120 0.041 0.000 0.287 169 V C 1.442 177.508 176.094 -0.047 0.000 1.022 169 V CA 1.270 63.536 62.300 -0.057 0.000 1.067 169 V CB 0.301 32.091 31.823 -0.055 0.000 0.967 169 V HN 0.996 nan 8.190 nan 0.000 0.479 170 G N 3.958 112.729 108.800 -0.048 0.000 2.259 170 G HA2 -0.236 3.749 3.960 0.041 0.000 0.217 170 G HA3 -0.236 3.749 3.960 0.041 0.000 0.217 170 G C 0.444 175.318 174.900 -0.042 0.000 1.001 170 G CA 0.090 45.165 45.100 -0.042 0.000 0.627 170 G HN 1.210 nan 8.290 nan 0.000 0.501 171 S N 0.742 116.416 115.700 -0.043 0.000 2.572 171 S HA 0.602 5.096 4.470 0.041 0.000 0.279 171 S C 0.110 174.672 174.600 -0.064 0.000 1.341 171 S CA 0.239 58.416 58.200 -0.037 0.000 1.043 171 S CB 1.436 64.619 63.200 -0.028 0.000 0.887 171 S HN 0.562 nan 8.310 nan 0.000 0.516 172 K N 1.001 121.359 120.400 -0.070 0.000 2.123 172 K HA 0.656 5.001 4.320 0.041 0.000 0.259 172 K C -1.052 175.426 176.600 -0.202 0.000 0.960 172 K CA -0.954 55.217 56.287 -0.193 0.000 0.872 172 K CB 1.899 34.222 32.500 -0.295 0.000 1.079 172 K HN 0.486 nan 8.250 nan 0.000 0.440 173 V N 3.693 123.428 119.914 -0.299 0.000 2.540 173 V HA 0.446 4.591 4.120 0.041 0.000 0.302 173 V C -1.815 174.106 176.094 -0.289 0.000 1.035 173 V CA -0.540 61.654 62.300 -0.177 0.000 0.873 173 V CB 0.719 32.497 31.823 -0.076 0.000 0.992 173 V HN 0.615 nan 8.190 nan 0.000 0.428 174 Y N 4.347 124.650 120.300 0.006 0.000 2.409 174 Y HA 0.757 5.332 4.550 0.042 0.000 0.339 174 Y C 0.138 176.049 175.900 0.018 0.000 1.033 174 Y CA -0.738 57.371 58.100 0.014 0.000 1.094 174 Y CB 2.241 40.713 38.460 0.020 0.000 1.210 174 Y HN 0.480 nan 8.280 nan 0.000 0.456 175 V N 2.110 122.121 119.914 0.162 0.000 2.735 175 V HA 0.355 4.500 4.120 0.041 0.000 0.310 175 V C -0.968 175.194 176.094 0.113 0.000 1.061 175 V CA -1.131 61.235 62.300 0.109 0.000 0.913 175 V CB 1.712 33.575 31.823 0.067 0.000 1.005 175 V HN 0.854 nan 8.190 nan 0.000 0.428 176 D N 3.668 124.129 120.400 0.102 0.000 4.353 176 D HA -0.149 4.516 4.640 0.041 0.000 0.242 176 D C 0.197 176.554 176.300 0.094 0.000 1.063 176 D CA 0.802 54.859 54.000 0.096 0.000 1.224 176 D CB -0.573 40.282 40.800 0.092 0.000 0.831 176 D HN 0.865 nan 8.370 nan 0.000 0.405 177 D N 2.474 122.928 120.400 0.090 0.000 2.739 177 D HA -0.143 4.522 4.640 0.041 0.000 0.230 177 D C 1.369 177.708 176.300 0.064 0.000 1.167 177 D CA 2.755 56.799 54.000 0.074 0.000 0.640 177 D CB -1.311 39.528 40.800 0.065 0.000 1.045 177 D HN 1.230 nan 8.370 nan 0.000 0.421 178 G N -1.608 107.243 108.800 0.085 0.000 2.168 178 G HA2 -0.377 3.608 3.960 0.041 0.000 0.257 178 G HA3 -0.377 3.608 3.960 0.041 0.000 0.257 178 G C 1.150 176.131 174.900 0.136 0.000 0.997 178 G CA 0.633 45.785 45.100 0.087 0.000 0.708 178 G HN 0.525 nan 8.290 nan 0.000 0.520 179 L N -0.858 120.440 121.223 0.125 0.000 2.095 179 L HA 0.271 4.636 4.340 0.041 0.000 0.204 179 L C 1.641 178.586 176.870 0.125 0.000 1.080 179 L CA 0.876 55.782 54.840 0.111 0.000 0.759 179 L CB -0.090 42.024 42.059 0.091 0.000 0.914 179 L HN 0.319 nan 8.230 nan 0.000 0.439 180 I N -0.415 120.231 120.570 0.126 0.000 2.385 180 I HA 0.153 4.348 4.170 0.041 0.000 0.294 180 I C 0.090 176.255 176.117 0.080 0.000 0.988 180 I CA -0.205 61.145 61.300 0.083 0.000 1.265 180 I CB 1.558 39.588 38.000 0.050 0.000 1.388 180 I HN 0.009 nan 8.210 nan 0.000 0.480 181 S N 7.000 122.695 115.700 -0.008 0.000 2.482 181 S HA 0.868 5.362 4.470 0.041 0.000 0.303 181 S C -0.800 173.677 174.600 -0.203 0.000 1.091 181 S CA -0.853 57.217 58.200 -0.218 0.000 1.057 181 S CB 1.362 64.438 63.200 -0.206 0.000 1.031 181 S HN 0.471 nan 8.310 nan 0.000 0.485 182 L N 2.013 123.068 121.223 -0.281 0.000 2.438 182 L HA 0.552 4.917 4.340 0.041 0.000 0.270 182 L C -0.409 176.345 176.870 -0.193 0.000 0.972 182 L CA -0.727 54.006 54.840 -0.178 0.000 0.831 182 L CB 1.939 43.925 42.059 -0.122 0.000 1.273 182 L HN 0.749 nan 8.230 nan 0.000 0.405 183 Q N 2.252 121.969 119.800 -0.138 0.000 2.278 183 Q HA 0.460 4.825 4.340 0.041 0.000 0.257 183 Q C -0.896 175.051 176.000 -0.089 0.000 0.928 183 Q CA -0.707 55.027 55.803 -0.115 0.000 0.932 183 Q CB 2.000 30.685 28.738 -0.088 0.000 1.221 183 Q HN 0.540 nan 8.270 nan 0.000 0.434 184 V N 5.464 125.327 119.914 -0.086 0.000 2.540 184 V HA -0.031 4.113 4.120 0.041 0.000 0.297 184 V C 0.826 176.878 176.094 -0.070 0.000 1.024 184 V CA 0.493 62.745 62.300 -0.079 0.000 1.105 184 V CB 0.874 32.648 31.823 -0.082 0.000 0.938 184 V HN 0.862 nan 8.190 nan 0.000 0.482 185 K N 2.826 123.185 120.400 -0.068 0.000 2.399 185 K HA 0.278 4.622 4.320 0.041 0.000 0.196 185 K C 0.403 176.961 176.600 -0.070 0.000 1.117 185 K CA 0.335 56.587 56.287 -0.058 0.000 0.965 185 K CB 0.937 33.412 32.500 -0.043 0.000 0.983 185 K HN 0.726 nan 8.250 nan 0.000 0.531 186 Q N 0.606 120.348 119.800 -0.097 0.000 2.391 186 Q HA 0.230 4.595 4.340 0.041 0.000 0.279 186 Q C -1.559 174.291 176.000 -0.250 0.000 1.028 186 Q CA -0.467 55.253 55.803 -0.138 0.000 0.836 186 Q CB 2.415 31.092 28.738 -0.101 0.000 1.414 186 Q HN -0.123 nan 8.270 nan 0.000 0.397 192 L N 3.174 124.399 121.223 0.004 0.000 2.441 192 L HA 0.672 5.037 4.340 0.041 0.000 0.270 192 L C -1.031 175.845 176.870 0.011 0.000 0.973 192 L CA -1.167 53.616 54.840 -0.095 0.000 0.842 192 L CB 1.877 43.881 42.059 -0.092 0.000 1.239 192 L HN 0.778 nan 8.230 nan 0.000 0.406 193 V N 3.184 123.096 119.914 -0.003 0.000 2.439 193 V HA 0.687 4.832 4.120 0.041 0.000 0.282 193 V C 0.147 176.228 176.094 -0.022 0.000 1.039 193 V CA 0.104 62.420 62.300 0.026 0.000 0.913 193 V CB 1.919 33.782 31.823 0.066 0.000 0.983 193 V HN 0.892 nan 8.190 nan 0.000 0.460 194 T N 2.494 117.034 114.554 -0.023 0.000 2.916 194 T HA 0.584 4.959 4.350 0.041 0.000 0.292 194 T C -0.725 173.952 174.700 -0.039 0.000 1.055 194 T CA -0.747 61.327 62.100 -0.042 0.000 1.009 194 T CB 1.931 70.766 68.868 -0.055 0.000 1.118 194 T HN 0.694 nan 8.240 nan 0.000 0.497 195 E N 1.429 121.600 120.200 -0.048 0.000 2.133 195 E HA 0.510 4.885 4.350 0.041 0.000 0.274 195 E C -0.624 175.943 176.600 -0.055 0.000 0.930 195 E CA -0.858 55.516 56.400 -0.044 0.000 0.770 195 E CB 1.424 31.101 29.700 -0.039 0.000 1.104 195 E HN 0.576 nan 8.360 nan 0.000 0.403 196 V N 4.583 124.468 119.914 -0.048 0.000 2.655 196 V HA -0.020 4.124 4.120 0.041 0.000 0.300 196 V C 0.919 176.985 176.094 -0.048 0.000 1.044 196 V CA 0.589 62.858 62.300 -0.052 0.000 1.095 196 V CB 1.129 32.926 31.823 -0.042 0.000 0.952 196 V HN 0.867 nan 8.190 nan 0.000 0.485 197 E N 2.471 122.638 120.200 -0.054 0.000 2.176 197 E HA 0.166 4.540 4.350 0.041 0.000 0.194 197 E C 0.261 176.850 176.600 -0.018 0.000 0.947 197 E CA -0.026 56.352 56.400 -0.037 0.000 0.960 197 E CB 0.283 29.956 29.700 -0.045 0.000 1.002 197 E HN 0.700 nan 8.360 nan 0.000 0.479 198 N N 0.644 119.339 118.700 -0.009 0.000 2.456 198 N HA 0.383 5.148 4.740 0.041 0.000 0.288 198 N C -0.602 174.911 175.510 0.005 0.000 1.059 198 N CA -0.061 52.996 53.050 0.012 0.000 0.946 198 N CB 1.878 40.394 38.487 0.048 0.000 1.150 198 N HN 0.082 nan 8.380 nan 0.000 0.479 199 G N -0.386 108.414 108.800 -0.000 0.000 2.612 199 G HA2 0.729 4.714 3.960 0.041 0.000 0.298 199 G HA3 0.729 4.714 3.960 0.041 0.000 0.298 199 G C -0.757 174.133 174.900 -0.018 0.000 1.336 199 G CA -0.583 44.508 45.100 -0.015 0.000 0.953 199 G HN 0.649 nan 8.290 nan 0.000 0.482 200 G N -0.835 107.951 108.800 -0.024 0.000 2.731 200 G HA2 0.517 4.502 3.960 0.041 0.000 0.309 200 G HA3 0.517 4.502 3.960 0.041 0.000 0.309 200 G C -1.465 173.400 174.900 -0.060 0.000 1.273 200 G CA -0.889 44.199 45.100 -0.020 0.000 0.798 200 G HN 0.454 nan 8.290 nan 0.000 0.509 201 F N 0.711 120.675 119.950 0.023 0.000 2.506 201 F HA 0.433 4.985 4.527 0.041 0.000 0.371 201 F C 0.726 176.542 175.800 0.027 0.000 1.078 201 F CA 0.088 58.102 58.000 0.022 0.000 1.195 201 F CB 1.007 40.019 39.000 0.020 0.000 1.099 201 F HN 0.155 nan 8.300 nan 0.000 0.548 202 L N 3.494 124.819 121.223 0.171 0.000 2.325 202 L HA 0.758 5.123 4.340 0.041 0.000 0.279 202 L C 0.390 177.339 176.870 0.133 0.000 1.054 202 L CA 0.038 54.952 54.840 0.123 0.000 0.804 202 L CB 1.142 43.245 42.059 0.074 0.000 1.200 202 L HN 0.722 nan 8.230 nan 0.000 0.436 203 G N 1.249 110.113 108.800 0.108 0.000 3.247 203 G HA2 0.414 4.398 3.960 0.041 0.000 0.226 203 G HA3 0.414 4.398 3.960 0.041 0.000 0.226 203 G C -1.387 173.564 174.900 0.085 0.000 1.220 203 G CA -0.463 44.692 45.100 0.090 0.000 0.875 203 G HN 0.480 nan 8.290 nan 0.000 0.606 204 S N 0.427 116.170 115.700 0.072 0.000 2.457 204 S HA 0.429 4.924 4.470 0.041 0.000 0.289 204 S C -0.267 174.389 174.600 0.092 0.000 1.163 204 S CA -0.376 57.871 58.200 0.078 0.000 1.078 204 S CB 0.918 64.151 63.200 0.055 0.000 0.987 204 S HN 0.518 nan 8.310 nan 0.000 0.482 205 K N 1.622 122.096 120.400 0.123 0.000 3.653 205 K HA -0.137 4.208 4.320 0.041 0.000 0.275 205 K C -0.886 175.797 176.600 0.138 0.000 0.962 205 K CA 0.450 56.825 56.287 0.146 0.000 0.773 205 K CB -0.721 31.871 32.500 0.153 0.000 1.463 205 K HN 0.323 nan 8.250 nan 0.000 0.450 206 K N 0.547 121.019 120.400 0.120 0.000 2.159 206 K HA 0.271 4.615 4.320 0.041 0.000 0.266 206 K C 0.701 177.359 176.600 0.096 0.000 0.975 206 K CA -0.314 56.039 56.287 0.109 0.000 0.865 206 K CB 1.551 34.109 32.500 0.096 0.000 1.087 206 K HN 0.395 nan 8.250 nan 0.000 0.446 207 G N 1.192 110.053 108.800 0.102 0.000 2.353 207 G HA2 0.217 4.202 3.960 0.041 0.000 0.239 207 G HA3 0.217 4.202 3.960 0.041 0.000 0.239 207 G C -0.344 174.598 174.900 0.071 0.000 1.295 207 G CA -0.271 44.881 45.100 0.086 0.000 0.884 207 G HN 0.260 nan 8.290 nan 0.000 0.537 208 V N 3.964 123.900 119.914 0.038 0.000 2.513 208 V HA 0.405 4.550 4.120 0.041 0.000 0.299 208 V C -0.192 175.917 176.094 0.025 0.000 1.035 208 V CA -1.042 61.280 62.300 0.036 0.000 0.889 208 V CB 1.822 33.647 31.823 0.004 0.000 0.988 208 V HN 0.757 nan 8.190 nan 0.000 0.440 209 N N 4.140 122.891 118.700 0.086 0.000 2.258 209 N HA 0.587 5.352 4.740 0.041 0.000 0.299 209 N C -1.306 174.289 175.510 0.142 0.000 1.047 209 N CA -0.474 52.626 53.050 0.084 0.000 0.814 209 N CB 2.716 41.260 38.487 0.095 0.000 1.413 209 N HN 0.476 nan 8.380 nan 0.000 0.478 210 L N 2.635 123.906 121.223 0.079 0.000 2.445 210 L HA 0.401 4.766 4.340 0.041 0.000 0.252 210 L C -2.455 174.467 176.870 0.085 0.000 1.105 210 L CA -1.660 53.240 54.840 0.100 0.000 0.943 210 L CB 1.124 43.228 42.059 0.075 0.000 1.277 210 L HN 0.146 nan 8.230 nan 0.000 0.465 211 P HA 0.189 nan 4.420 nan 0.000 0.271 211 P C 1.059 178.388 177.300 0.049 0.000 1.220 211 P CA 0.406 63.550 63.100 0.074 0.000 0.768 211 P CB 1.302 33.043 31.700 0.068 0.000 0.848 212 G N 2.050 110.858 108.800 0.013 0.000 2.189 212 G HA2 -0.225 3.759 3.960 0.041 0.000 0.267 212 G HA3 -0.225 3.759 3.960 0.041 0.000 0.267 212 G C 0.370 175.266 174.900 -0.007 0.000 0.975 212 G CA 0.138 45.222 45.100 -0.026 0.000 0.644 212 G HN 0.880 nan 8.290 nan 0.000 0.537 213 A N 0.256 123.086 122.820 0.018 0.000 2.252 213 A HA 0.851 5.196 4.320 0.041 0.000 0.309 213 A C 0.708 178.311 177.584 0.031 0.000 1.285 213 A CA 0.798 52.848 52.037 0.022 0.000 0.900 213 A CB 0.748 19.768 19.000 0.033 0.000 1.157 213 A HN 2.014 nan 8.150 nan 0.000 0.536 214 A N 3.229 126.066 122.820 0.028 0.000 2.496 214 A HA 0.451 4.796 4.320 0.041 0.000 0.278 214 A C 0.195 177.808 177.584 0.049 0.000 1.137 214 A CA 0.018 52.075 52.037 0.033 0.000 0.805 214 A CB -0.553 18.464 19.000 0.029 0.000 1.077 214 A HN 0.901 nan 8.150 nan 0.000 0.513 215 V N 3.802 123.735 119.914 0.033 0.000 2.461 215 V HA 0.175 4.319 4.120 0.041 0.000 0.275 215 V C 0.261 176.371 176.094 0.026 0.000 1.047 215 V CA 0.170 62.495 62.300 0.042 0.000 0.955 215 V CB 1.286 33.045 31.823 -0.107 0.000 0.988 215 V HN 0.999 nan 8.190 nan 0.000 0.471 216 D N 3.651 124.109 120.400 0.097 0.000 2.895 216 D HA 0.259 4.924 4.640 0.041 0.000 0.258 216 D C -0.052 176.285 176.300 0.061 0.000 1.311 216 D CA -0.324 53.715 54.000 0.065 0.000 0.843 216 D CB 0.073 40.913 40.800 0.067 0.000 1.055 216 D HN 0.353 nan 8.370 nan 0.000 0.486 217 L N 0.973 122.186 121.223 -0.016 0.000 2.439 217 L HA 0.310 4.675 4.340 0.041 0.000 0.269 217 L C -1.515 175.340 176.870 -0.025 0.000 1.179 217 L CA -1.807 53.004 54.840 -0.047 0.000 0.828 217 L CB 0.401 42.343 42.059 -0.194 0.000 1.106 217 L HN 0.087 nan 8.230 nan 0.000 0.467 218 P HA -0.052 nan 4.420 nan 0.000 0.264 218 P C -0.004 177.297 177.300 0.002 0.000 1.183 218 P CA -0.001 63.103 63.100 0.008 0.000 0.763 218 P CB 0.876 32.586 31.700 0.016 0.000 0.807 219 A N 3.940 126.769 122.820 0.014 0.000 1.902 219 A HA -0.031 4.314 4.320 0.041 0.000 0.217 219 A C 0.994 178.596 177.584 0.030 0.000 1.181 219 A CA 1.350 53.401 52.037 0.024 0.000 0.623 219 A CB -0.388 18.630 19.000 0.029 0.000 0.818 219 A HN 0.443 nan 8.150 nan 0.000 0.443 220 V N 1.495 121.425 119.914 0.027 0.000 2.305 220 V HA 0.315 4.459 4.120 0.041 0.000 0.275 220 V C 0.417 176.528 176.094 0.027 0.000 1.020 220 V CA -0.250 62.066 62.300 0.028 0.000 0.811 220 V CB 0.684 32.522 31.823 0.025 0.000 1.031 220 V HN 0.597 nan 8.190 nan 0.000 0.439 221 S N 3.548 119.264 115.700 0.028 0.000 0.000 221 S HA 0.240 4.735 4.470 0.041 0.000 0.000 221 S C 1.060 175.682 174.600 0.037 0.000 0.000 221 S CA -0.243 57.975 58.200 0.030 0.000 0.000 221 S CB 0.910 64.128 63.200 0.029 0.000 0.000 221 S HN 0.575 nan 8.310 nan 0.000 0.000 222 E N 0.691 120.914 120.200 0.039 0.000 2.072 222 E HA -0.096 4.279 4.350 0.041 0.000 0.191 222 E C 1.825 178.457 176.600 0.054 0.000 0.985 222 E CA 0.894 57.319 56.400 0.043 0.000 0.801 222 E CB -0.429 29.294 29.700 0.038 0.000 0.750 222 E HN 0.649 nan 8.360 nan 0.000 0.452 223 K N 0.995 121.430 120.400 0.059 0.000 2.209 223 K HA -0.158 4.186 4.320 0.041 0.000 0.204 223 K C 1.007 177.666 176.600 0.098 0.000 1.048 223 K CA 1.070 57.406 56.287 0.082 0.000 0.940 223 K CB 0.121 32.668 32.500 0.078 0.000 0.729 223 K HN 0.017 nan 8.250 nan 0.000 0.451 224 D N 0.503 120.943 120.400 0.066 0.000 2.110 224 D HA -0.043 4.621 4.640 0.041 0.000 0.202 224 D C 2.007 178.329 176.300 0.038 0.000 0.975 224 D CA 0.781 54.808 54.000 0.044 0.000 0.839 224 D CB -0.245 40.573 40.800 0.030 0.000 0.996 224 D HN 0.197 nan 8.370 nan 0.000 0.464 225 I N 1.013 121.610 120.570 0.045 0.000 2.423 225 I HA -0.283 3.911 4.170 0.041 0.000 0.254 225 I C 2.281 178.442 176.117 0.074 0.000 1.151 225 I CA 1.117 62.444 61.300 0.046 0.000 1.421 225 I CB -0.218 37.807 38.000 0.042 0.000 1.079 225 I HN 0.019 nan 8.210 nan 0.000 0.431 226 Q N 0.365 120.227 119.800 0.104 0.000 2.083 226 Q HA -0.179 4.186 4.340 0.041 0.000 0.198 226 Q C 1.712 177.886 176.000 0.290 0.000 0.969 226 Q CA 1.352 57.260 55.803 0.175 0.000 0.838 226 Q CB -0.014 28.807 28.738 0.137 0.000 0.900 226 Q HN 0.488 nan 8.270 nan 0.000 0.436 227 D N 0.726 121.237 120.400 0.185 0.000 2.123 227 D HA -0.102 4.562 4.640 0.041 0.000 0.200 227 D C 1.930 178.156 176.300 -0.123 0.000 0.976 227 D CA 0.827 54.804 54.000 -0.037 0.000 0.831 227 D CB -0.161 40.525 40.800 -0.190 0.000 0.974 227 D HN 0.158 nan 8.370 nan 0.000 0.469 228 L N 0.678 121.857 121.223 -0.073 0.000 2.017 228 L HA -0.164 4.201 4.340 0.041 0.000 0.208 228 L C 2.369 179.231 176.870 -0.014 0.000 1.073 228 L CA 1.072 55.867 54.840 -0.075 0.000 0.745 228 L CB -0.311 41.722 42.059 -0.044 0.000 0.894 228 L HN -0.061 nan 8.230 nan 0.000 0.432 229 K N -0.364 120.068 120.400 0.053 0.000 2.063 229 K HA -0.223 4.122 4.320 0.041 0.000 0.208 229 K C 2.083 178.749 176.600 0.110 0.000 1.048 229 K CA 1.569 57.903 56.287 0.078 0.000 0.928 229 K CB -0.740 31.823 32.500 0.106 0.000 0.713 229 K HN 0.148 nan 8.250 nan 0.000 0.442 230 F N 1.680 121.639 119.950 0.015 0.000 2.120 230 F HA -0.194 4.357 4.527 0.041 0.000 0.300 230 F C 2.249 178.013 175.800 -0.059 0.000 1.095 230 F CA 1.945 59.952 58.000 0.012 0.000 1.249 230 F CB -0.723 38.252 39.000 -0.040 0.000 0.995 230 F HN 0.111 nan 8.300 nan 0.000 0.480 231 G N -0.398 108.364 108.800 -0.063 0.000 2.418 231 G HA2 -0.210 3.775 3.960 0.041 0.000 0.217 231 G HA3 -0.210 3.775 3.960 0.041 0.000 0.217 231 G C 1.780 176.594 174.900 -0.143 0.000 1.158 231 G CA 1.169 46.175 45.100 -0.156 0.000 0.771 231 G HN 0.342 nan 8.290 nan 0.000 0.545 232 V N 0.875 120.731 119.914 -0.097 0.000 2.233 232 V HA -0.231 3.913 4.120 0.041 0.000 0.247 232 V C 2.674 178.709 176.094 -0.099 0.000 1.050 232 V CA 2.444 64.700 62.300 -0.074 0.000 1.010 232 V CB -0.756 31.045 31.823 -0.038 0.000 0.637 232 V HN 0.474 nan 8.190 nan 0.000 0.444 233 E N -0.392 119.737 120.200 -0.119 0.000 2.130 233 E HA -0.258 4.116 4.350 0.041 0.000 0.196 233 E C 2.172 178.641 176.600 -0.219 0.000 0.998 233 E CA 1.212 57.522 56.400 -0.149 0.000 0.806 233 E CB -0.156 29.450 29.700 -0.156 0.000 0.738 233 E HN 0.503 nan 8.360 nan 0.000 0.459 234 Q N 0.408 120.011 119.800 -0.330 0.000 2.444 234 Q HA -0.066 4.299 4.340 0.041 0.000 0.206 234 Q C -0.154 175.750 176.000 -0.159 0.000 0.948 234 Q CA 0.511 56.125 55.803 -0.315 0.000 0.946 234 Q CB 0.204 28.668 28.738 -0.457 0.000 1.027 234 Q HN 0.223 nan 8.270 nan 0.000 0.513 235 D N -0.450 119.876 120.400 -0.122 0.000 2.800 235 D HA -0.151 4.514 4.640 0.041 0.000 0.232 235 D C -0.233 176.034 176.300 -0.054 0.000 1.137 235 D CA 0.679 54.637 54.000 -0.070 0.000 0.718 235 D CB -1.240 39.530 40.800 -0.051 0.000 1.084 235 D HN 0.162 nan 8.370 nan 0.000 0.432 236 V N -2.746 117.123 119.914 -0.075 0.000 3.003 236 V HA 0.412 4.556 4.120 0.041 0.000 0.305 236 V C 1.256 177.320 176.094 -0.050 0.000 1.078 236 V CA 0.417 62.676 62.300 -0.069 0.000 1.083 236 V CB 1.500 33.257 31.823 -0.109 0.000 1.039 236 V HN 0.039 nan 8.190 nan 0.000 0.481 237 D N 2.249 122.625 120.400 -0.041 0.000 2.380 237 D HA 0.178 4.843 4.640 0.041 0.000 0.212 237 D C 0.659 176.949 176.300 -0.016 0.000 1.021 237 D CA 1.075 55.072 54.000 -0.006 0.000 0.884 237 D CB 0.503 41.322 40.800 0.032 0.000 1.001 237 D HN 0.801 nan 8.370 nan 0.000 0.506 238 M N -0.339 119.215 119.600 -0.075 0.000 2.421 238 M HA 0.503 5.008 4.480 0.041 0.000 0.287 238 M C -1.687 174.482 176.300 -0.218 0.000 1.183 238 M CA -0.881 54.372 55.300 -0.078 0.000 0.916 238 M CB 2.990 35.604 32.600 0.023 0.000 1.701 238 M HN -0.428 nan 8.290 nan 0.000 0.470 239 V N 3.219 123.068 119.914 -0.109 0.000 2.483 239 V HA 0.520 4.665 4.120 0.041 0.000 0.295 239 V C -1.053 175.107 176.094 0.110 0.000 1.035 239 V CA -0.308 61.915 62.300 -0.128 0.000 0.896 239 V CB 1.696 33.474 31.823 -0.076 0.000 0.986 239 V HN 0.693 nan 8.190 nan 0.000 0.447 240 F N 3.413 123.328 119.950 -0.059 0.000 2.293 240 F HA 0.594 5.146 4.527 0.042 0.000 0.370 240 F C 0.674 176.437 175.800 -0.061 0.000 1.090 240 F CA -1.649 56.317 58.000 -0.057 0.000 1.133 240 F CB 0.784 39.756 39.000 -0.047 0.000 1.360 240 F HN 0.496 nan 8.300 nan 0.000 0.489 241 A N 2.607 125.497 122.820 0.117 0.000 2.343 241 A HA 0.492 4.837 4.320 0.041 0.000 0.305 241 A C 0.523 178.119 177.584 0.020 0.000 1.308 241 A CA -0.271 51.794 52.037 0.047 0.000 0.949 241 A CB -0.158 18.856 19.000 0.023 0.000 1.148 241 A HN 0.552 nan 8.150 nan 0.000 0.545 242 S N 1.483 117.197 115.700 0.023 0.000 2.562 242 S HA 0.385 4.879 4.470 0.041 0.000 0.281 242 S C 0.008 174.644 174.600 0.061 0.000 1.333 242 S CA 0.005 58.176 58.200 -0.049 0.000 1.052 242 S CB -0.344 62.858 63.200 0.003 0.000 0.884 242 S HN 0.758 nan 8.310 nan 0.000 0.506 243 F N -0.138 119.810 119.950 -0.003 0.000 3.067 243 F HA -0.163 4.389 4.527 0.041 0.000 0.279 243 F C 0.246 176.040 175.800 -0.010 0.000 0.945 243 F CA -0.243 57.751 58.000 -0.010 0.000 0.948 243 F CB -1.591 37.398 39.000 -0.020 0.000 0.898 243 F HN 0.401 nan 8.300 nan 0.000 0.746 244 I N 1.081 121.699 120.570 0.080 0.000 2.581 244 I HA -0.028 4.166 4.170 0.041 0.000 0.285 244 I C 1.558 177.707 176.117 0.054 0.000 1.129 244 I CA 0.713 62.041 61.300 0.047 0.000 1.397 244 I CB 0.799 38.798 38.000 -0.002 0.000 1.399 244 I HN 0.366 nan 8.210 nan 0.000 0.537 245 R N 5.165 125.697 120.500 0.053 0.000 2.146 245 R HA 0.114 4.479 4.340 0.041 0.000 0.206 245 R C 0.078 176.393 176.300 0.025 0.000 1.049 245 R CA 0.646 56.777 56.100 0.051 0.000 1.029 245 R CB 0.453 30.786 30.300 0.055 0.000 0.949 245 R HN 0.633 nan 8.270 nan 0.000 0.471 246 K N -2.618 117.785 120.400 0.005 0.000 2.533 246 K HA 0.535 4.879 4.320 0.041 0.000 0.284 246 K C 0.062 176.631 176.600 -0.052 0.000 1.025 246 K CA -0.301 55.978 56.287 -0.013 0.000 0.900 246 K CB 1.094 33.599 32.500 0.009 0.000 1.519 246 K HN -0.152 nan 8.250 nan 0.000 0.432 247 A N 0.913 123.694 122.820 -0.064 0.000 1.883 247 A HA -0.170 4.175 4.320 0.041 0.000 0.217 247 A C 2.335 179.825 177.584 -0.156 0.000 1.186 247 A CA 2.644 54.592 52.037 -0.148 0.000 0.624 247 A CB -1.362 17.607 19.000 -0.051 0.000 0.822 247 A HN 0.855 nan 8.150 nan 0.000 0.444 248 A N 0.291 123.144 122.820 0.056 0.000 1.915 248 A HA -0.323 4.022 4.320 0.041 0.000 0.220 248 A C 1.717 179.334 177.584 0.054 0.000 1.198 248 A CA 2.406 54.525 52.037 0.137 0.000 0.647 248 A CB -0.936 18.118 19.000 0.090 0.000 0.825 248 A HN 0.512 nan 8.150 nan 0.000 0.456 249 D N -0.511 119.889 120.400 -0.001 0.000 2.149 249 D HA -0.100 4.564 4.640 0.041 0.000 0.198 249 D C 1.997 178.275 176.300 -0.036 0.000 0.990 249 D CA 1.494 55.491 54.000 -0.005 0.000 0.839 249 D CB -0.448 40.352 40.800 0.000 0.000 0.948 249 D HN 0.305 nan 8.370 nan 0.000 0.460 250 V N 0.198 120.039 119.914 -0.122 0.000 2.358 250 V HA -0.230 3.915 4.120 0.041 0.000 0.246 250 V C 1.866 177.890 176.094 -0.116 0.000 1.047 250 V CA 1.672 63.877 62.300 -0.158 0.000 1.035 250 V CB -0.899 30.763 31.823 -0.269 0.000 0.658 250 V HN 0.312 nan 8.190 nan 0.000 0.452 251 H N -0.255 118.810 119.070 -0.007 0.000 2.456 251 H HA -0.154 4.427 4.556 0.041 0.000 0.296 251 H C 2.371 177.700 175.328 0.000 0.000 1.079 251 H CA 1.413 57.458 56.048 -0.005 0.000 1.322 251 H CB 0.152 29.911 29.762 -0.006 0.000 1.388 251 H HN 0.410 nan 8.280 nan 0.000 0.538 252 E N 0.636 120.898 120.200 0.104 0.000 2.047 252 E HA -0.109 4.266 4.350 0.041 0.000 0.191 252 E C 2.204 178.828 176.600 0.040 0.000 0.987 252 E CA 1.018 57.456 56.400 0.062 0.000 0.799 252 E CB -0.153 29.575 29.700 0.047 0.000 0.752 252 E HN 0.221 nan 8.360 nan 0.000 0.449 253 V N 0.730 120.658 119.914 0.024 0.000 2.407 253 V HA -0.222 3.923 4.120 0.041 0.000 0.248 253 V C 2.465 178.568 176.094 0.015 0.000 1.055 253 V CA 2.014 64.321 62.300 0.011 0.000 1.049 253 V CB -0.607 31.214 31.823 -0.003 0.000 0.662 253 V HN 0.152 nan 8.190 nan 0.000 0.455 254 R N 0.751 121.268 120.500 0.028 0.000 2.092 254 R HA -0.119 4.246 4.340 0.041 0.000 0.231 254 R C 2.292 178.617 176.300 0.041 0.000 1.119 254 R CA 1.704 57.828 56.100 0.040 0.000 0.970 254 R CB -0.424 29.919 30.300 0.072 0.000 0.864 254 R HN 0.502 nan 8.270 nan 0.000 0.440 255 K N -0.220 120.209 120.400 0.048 0.000 2.057 255 K HA -0.066 4.279 4.320 0.041 0.000 0.206 255 K C 1.718 178.334 176.600 0.027 0.000 1.050 255 K CA 1.245 57.554 56.287 0.037 0.000 0.935 255 K CB 0.008 32.531 32.500 0.039 0.000 0.715 255 K HN 0.098 nan 8.250 nan 0.000 0.439 256 I N 1.488 122.073 120.570 0.025 0.000 2.202 256 I HA -0.243 3.951 4.170 0.041 0.000 0.242 256 I C 2.176 178.302 176.117 0.015 0.000 1.091 256 I CA 1.315 62.627 61.300 0.020 0.000 1.368 256 I CB -1.047 36.964 38.000 0.018 0.000 1.058 256 I HN 0.222 nan 8.210 nan 0.000 0.410 257 L N 0.291 121.520 121.223 0.010 0.000 2.265 257 L HA -0.060 4.305 4.340 0.041 0.000 0.215 257 L C 1.607 178.482 176.870 0.009 0.000 1.117 257 L CA 0.835 55.678 54.840 0.003 0.000 0.782 257 L CB -0.979 41.079 42.059 -0.002 0.000 0.914 257 L HN 0.504 nan 8.230 nan 0.000 0.441 258 G N 0.108 108.917 108.800 0.014 0.000 2.598 258 G HA2 -0.435 3.550 3.960 0.041 0.000 0.269 258 G HA3 -0.435 3.550 3.960 0.041 0.000 0.269 258 G C 0.525 175.433 174.900 0.014 0.000 1.289 258 G CA 0.633 45.742 45.100 0.015 0.000 0.926 258 G HN 0.272 nan 8.290 nan 0.000 0.567 259 E N -0.177 120.030 120.200 0.012 0.000 2.046 259 E HA 0.004 4.378 4.350 0.041 0.000 0.190 259 E C 2.452 179.058 176.600 0.010 0.000 0.982 259 E CA 1.888 58.295 56.400 0.012 0.000 0.800 259 E CB -0.250 29.457 29.700 0.011 0.000 0.756 259 E HN 0.517 nan 8.360 nan 0.000 0.449 260 K N -0.868 119.537 120.400 0.007 0.000 2.211 260 K HA -0.061 4.284 4.320 0.041 0.000 0.204 260 K C 0.946 177.546 176.600 0.001 0.000 1.047 260 K CA 1.226 57.515 56.287 0.003 0.000 0.935 260 K CB -0.182 32.319 32.500 0.001 0.000 0.728 260 K HN 0.204 nan 8.250 nan 0.000 0.452 261 G N 1.131 109.932 108.800 0.002 0.000 3.959 261 G HA2 0.027 4.012 3.960 0.041 0.000 0.298 261 G HA3 0.027 4.012 3.960 0.041 0.000 0.298 261 G C 0.626 175.530 174.900 0.007 0.000 1.211 261 G CA -0.457 44.642 45.100 -0.001 0.000 1.001 261 G HN 0.305 nan 8.290 nan 0.000 0.561 262 K N -0.849 119.559 120.400 0.013 0.000 2.305 262 K HA 0.093 4.438 4.320 0.041 0.000 0.199 262 K C 1.145 177.761 176.600 0.027 0.000 1.047 262 K CA 0.317 56.616 56.287 0.021 0.000 0.976 262 K CB 0.117 32.630 32.500 0.022 0.000 0.765 262 K HN 0.012 nan 8.250 nan 0.000 0.474 263 N N 1.103 119.819 118.700 0.027 0.000 2.412 263 N HA 0.125 4.890 4.740 0.041 0.000 0.184 263 N C 0.116 175.649 175.510 0.038 0.000 1.101 263 N CA 0.233 53.306 53.050 0.038 0.000 0.881 263 N CB 0.198 38.709 38.487 0.040 0.000 0.969 263 N HN 0.226 nan 8.380 nan 0.000 0.459 264 I N 1.953 122.537 120.570 0.022 0.000 2.471 264 I HA -0.007 4.188 4.170 0.041 0.000 0.286 264 I C 0.525 176.655 176.117 0.021 0.000 1.079 264 I CA -0.277 61.031 61.300 0.013 0.000 1.398 264 I CB 0.511 38.504 38.000 -0.012 0.000 1.403 264 I HN -0.335 nan 8.210 nan 0.000 0.530 265 K N 7.112 127.531 120.400 0.032 0.000 2.295 265 K HA 0.416 4.761 4.320 0.041 0.000 0.270 265 K C -0.328 176.293 176.600 0.034 0.000 1.011 265 K CA -0.098 56.212 56.287 0.039 0.000 0.953 265 K CB 0.976 33.509 32.500 0.055 0.000 0.956 265 K HN 0.515 nan 8.250 nan 0.000 0.477 266 I N 4.499 125.086 120.570 0.028 0.000 2.359 266 I HA 0.161 4.355 4.170 0.041 0.000 0.284 266 I C -0.331 175.807 176.117 0.035 0.000 1.018 266 I CA -0.834 60.484 61.300 0.030 0.000 1.173 266 I CB 0.943 38.943 38.000 -0.000 0.000 1.326 266 I HN 0.163 nan 8.210 nan 0.000 0.462 267 I N 4.995 125.631 120.570 0.109 0.000 2.297 267 I HA 0.225 4.420 4.170 0.041 0.000 0.291 267 I C 0.658 176.788 176.117 0.022 0.000 1.033 267 I CA -0.144 61.190 61.300 0.056 0.000 1.253 267 I CB 0.737 38.779 38.000 0.069 0.000 1.396 267 I HN 0.411 nan 8.210 nan 0.000 0.476 268 S N 6.351 122.030 115.700 -0.035 0.000 2.545 268 S HA 0.308 4.802 4.470 0.041 0.000 0.275 268 S C 0.289 174.851 174.600 -0.064 0.000 1.299 268 S CA -0.553 57.622 58.200 -0.041 0.000 1.048 268 S CB 0.770 63.935 63.200 -0.057 0.000 0.938 268 S HN 0.372 nan 8.310 nan 0.000 0.496 269 K N 3.074 123.431 120.400 -0.072 0.000 2.253 269 K HA 0.349 4.694 4.320 0.041 0.000 0.277 269 K C -0.666 175.868 176.600 -0.110 0.000 1.053 269 K CA -0.470 55.743 56.287 -0.124 0.000 0.892 269 K CB 0.668 33.068 32.500 -0.167 0.000 1.102 269 K HN 0.436 nan 8.250 nan 0.000 0.469 270 I N 4.496 125.015 120.570 -0.085 0.000 2.322 270 I HA 0.037 4.231 4.170 0.041 0.000 0.292 270 I C 0.877 176.931 176.117 -0.106 0.000 1.060 270 I CA 0.377 61.645 61.300 -0.054 0.000 1.309 270 I CB 0.257 38.248 38.000 -0.016 0.000 1.415 270 I HN 0.817 nan 8.210 nan 0.000 0.492 271 E N 4.059 124.201 120.200 -0.097 0.000 2.744 271 E HA 0.121 4.496 4.350 0.041 0.000 0.210 271 E C -0.479 176.154 176.600 0.056 0.000 0.950 271 E CA -0.459 55.878 56.400 -0.106 0.000 1.282 271 E CB 0.345 29.837 29.700 -0.346 0.000 1.123 271 E HN 0.644 nan 8.360 nan 0.000 0.544 272 N N -0.420 118.339 118.700 0.099 0.000 2.831 272 N HA 0.145 4.909 4.740 0.041 0.000 0.276 272 N C 0.259 175.827 175.510 0.097 0.000 1.416 272 N CA -0.788 52.345 53.050 0.139 0.000 0.799 272 N CB 0.545 39.154 38.487 0.204 0.000 1.554 272 N HN -0.042 nan 8.380 nan 0.000 0.541 273 H N -0.755 118.334 119.070 0.033 0.000 2.387 273 H HA -0.000 4.581 4.556 0.042 0.000 0.299 273 H C 1.337 176.678 175.328 0.020 0.000 1.090 273 H CA 2.157 58.213 56.048 0.013 0.000 1.332 273 H CB 0.349 30.116 29.762 0.008 0.000 1.386 273 H HN 0.773 nan 8.280 nan 0.000 0.516 274 E N -0.678 119.594 120.200 0.120 0.000 2.106 274 E HA -0.119 4.256 4.350 0.041 0.000 0.192 274 E C 2.438 179.054 176.600 0.027 0.000 0.984 274 E CA 0.722 57.164 56.400 0.070 0.000 0.806 274 E CB -0.311 29.441 29.700 0.087 0.000 0.750 274 E HN 0.650 nan 8.360 nan 0.000 0.458 275 G N 0.518 109.341 108.800 0.038 0.000 2.469 275 G HA2 -0.272 3.713 3.960 0.041 0.000 0.219 275 G HA3 -0.272 3.713 3.960 0.041 0.000 0.219 275 G C 1.618 176.551 174.900 0.057 0.000 1.150 275 G CA 1.112 46.241 45.100 0.048 0.000 0.763 275 G HN 0.225 nan 8.290 nan 0.000 0.561 276 V N 0.315 120.203 119.914 -0.042 0.000 2.379 276 V HA -0.078 4.067 4.120 0.041 0.000 0.245 276 V C 2.753 178.798 176.094 -0.083 0.000 1.044 276 V CA 1.889 64.126 62.300 -0.105 0.000 1.036 276 V CB -0.464 31.213 31.823 -0.244 0.000 0.664 276 V HN 0.349 nan 8.190 nan 0.000 0.453 277 R N 0.279 120.694 120.500 -0.143 0.000 2.091 277 R HA -0.119 4.246 4.340 0.041 0.000 0.238 277 R C 2.024 178.325 176.300 0.002 0.000 1.136 277 R CA 1.550 57.597 56.100 -0.088 0.000 0.959 277 R CB -0.025 30.247 30.300 -0.046 0.000 0.856 277 R HN 0.421 nan 8.270 nan 0.000 0.437 278 R N -0.727 119.790 120.500 0.028 0.000 2.468 278 R HA 0.033 4.398 4.340 0.041 0.000 0.280 278 R C 1.341 177.669 176.300 0.047 0.000 0.963 278 R CA -0.250 55.870 56.100 0.033 0.000 1.083 278 R CB 0.041 30.351 30.300 0.017 0.000 1.200 278 R HN 0.189 nan 8.270 nan 0.000 0.541 279 F N 2.799 122.710 119.950 -0.065 0.000 2.111 279 F HA -0.334 4.217 4.527 0.040 0.000 0.300 279 F C 1.437 177.202 175.800 -0.057 0.000 1.088 279 F CA 1.947 59.906 58.000 -0.068 0.000 1.243 279 F CB 0.058 39.009 39.000 -0.081 0.000 0.996 279 F HN -0.022 nan 8.300 nan 0.000 0.483 280 D N 0.317 120.658 120.400 -0.098 0.000 2.104 280 D HA -0.250 4.415 4.640 0.041 0.000 0.194 280 D C 2.246 178.403 176.300 -0.239 0.000 0.994 280 D CA 1.932 55.817 54.000 -0.192 0.000 0.830 280 D CB -0.634 40.154 40.800 -0.020 0.000 0.959 280 D HN 0.731 nan 8.370 nan 0.000 0.452 281 E N 0.421 120.532 120.200 -0.149 0.000 2.150 281 E HA -0.128 4.247 4.350 0.041 0.000 0.193 281 E C 2.265 178.754 176.600 -0.184 0.000 0.985 281 E CA 0.619 56.946 56.400 -0.122 0.000 0.814 281 E CB -0.404 29.263 29.700 -0.056 0.000 0.752 281 E HN 0.286 nan 8.360 nan 0.000 0.466 282 I N 0.785 121.209 120.570 -0.245 0.000 2.202 282 I HA -0.224 3.971 4.170 0.041 0.000 0.242 282 I C 2.545 178.443 176.117 -0.365 0.000 1.091 282 I CA 0.675 61.810 61.300 -0.276 0.000 1.368 282 I CB -0.194 37.671 38.000 -0.226 0.000 1.058 282 I HN 0.179 nan 8.210 nan 0.000 0.410 283 L N 0.851 121.717 121.223 -0.596 0.000 2.083 283 L HA -0.221 4.144 4.340 0.041 0.000 0.209 283 L C 2.456 179.153 176.870 -0.288 0.000 1.083 283 L CA 1.917 56.426 54.840 -0.552 0.000 0.752 283 L CB -0.808 40.758 42.059 -0.822 0.000 0.899 283 L HN 0.241 nan 8.230 nan 0.000 0.433 284 E N 0.013 120.071 120.200 -0.237 0.000 2.106 284 E HA -0.191 4.184 4.350 0.041 0.000 0.192 284 E C 1.933 178.470 176.600 -0.104 0.000 0.984 284 E CA 1.296 57.617 56.400 -0.132 0.000 0.806 284 E CB -0.037 29.606 29.700 -0.095 0.000 0.750 284 E HN 0.604 nan 8.360 nan 0.000 0.458 285 A N 0.450 123.181 122.820 -0.148 0.000 2.067 285 A HA 0.061 4.406 4.320 0.041 0.000 0.217 285 A C 1.392 178.882 177.584 -0.157 0.000 1.156 285 A CA 0.364 52.295 52.037 -0.177 0.000 0.683 285 A CB 0.084 18.862 19.000 -0.370 0.000 0.808 285 A HN 0.156 nan 8.150 nan 0.000 0.455 286 S N 0.048 115.658 115.700 -0.150 0.000 2.687 286 S HA 0.343 4.838 4.470 0.041 0.000 0.283 286 S C -0.130 174.423 174.600 -0.077 0.000 1.170 286 S CA -0.557 57.575 58.200 -0.114 0.000 1.008 286 S CB 1.064 64.187 63.200 -0.129 0.000 1.026 286 S HN 0.384 nan 8.310 nan 0.000 0.541 287 D N 0.492 120.862 120.400 -0.051 0.000 2.349 287 D HA 0.302 4.967 4.640 0.041 0.000 0.214 287 D C 0.718 176.977 176.300 -0.068 0.000 1.063 287 D CA 0.384 54.363 54.000 -0.034 0.000 0.847 287 D CB 0.567 41.366 40.800 -0.002 0.000 0.933 287 D HN 0.645 nan 8.370 nan 0.000 0.513 288 G N 0.131 108.882 108.800 -0.081 0.000 2.356 288 G HA2 0.412 4.396 3.960 0.041 0.000 0.294 288 G HA3 0.412 4.396 3.960 0.041 0.000 0.294 288 G C -1.932 172.913 174.900 -0.092 0.000 1.423 288 G CA -0.665 44.370 45.100 -0.109 0.000 0.806 288 G HN -0.061 nan 8.290 nan 0.000 0.527 289 I N 0.583 121.095 120.570 -0.097 0.000 2.722 289 I HA 0.506 4.700 4.170 0.041 0.000 0.295 289 I C -0.533 175.501 176.117 -0.138 0.000 1.161 289 I CA -0.639 60.621 61.300 -0.066 0.000 1.032 289 I CB 2.123 40.170 38.000 0.079 0.000 1.244 289 I HN 0.644 nan 8.210 nan 0.000 0.421 290 M N 5.813 125.309 119.600 -0.174 0.000 2.243 290 M HA 0.431 4.936 4.480 0.041 0.000 0.324 290 M C -1.228 174.978 176.300 -0.157 0.000 1.031 290 M CA -0.756 54.407 55.300 -0.227 0.000 0.949 290 M CB 1.720 34.103 32.600 -0.361 0.000 1.615 290 M HN 0.293 nan 8.290 nan 0.000 0.430 291 V N 5.091 124.921 119.914 -0.140 0.000 2.390 291 V HA 0.172 4.317 4.120 0.041 0.000 0.260 291 V C 0.708 176.725 176.094 -0.128 0.000 1.043 291 V CA -0.247 61.978 62.300 -0.125 0.000 1.047 291 V CB -0.121 31.633 31.823 -0.114 0.000 1.066 291 V HN 0.861 nan 8.190 nan 0.000 0.481 292 A N 6.001 128.738 122.820 -0.138 0.000 3.015 292 A HA 0.341 4.686 4.320 0.041 0.000 0.293 292 A C 1.491 179.007 177.584 -0.114 0.000 1.572 292 A CA -0.425 51.524 52.037 -0.147 0.000 1.274 292 A CB -0.326 18.547 19.000 -0.211 0.000 1.156 292 A HN 0.847 nan 8.150 nan 0.000 0.562 293 R N 1.140 121.590 120.500 -0.082 0.000 2.096 293 R HA -0.141 4.223 4.340 0.041 0.000 0.235 293 R C 2.351 178.626 176.300 -0.041 0.000 1.127 293 R CA 1.468 57.535 56.100 -0.056 0.000 0.968 293 R CB -0.205 30.071 30.300 -0.039 0.000 0.861 293 R HN 0.699 nan 8.270 nan 0.000 0.440 294 G N 1.533 110.312 108.800 -0.035 0.000 2.545 294 G HA2 -0.300 3.684 3.960 0.041 0.000 0.217 294 G HA3 -0.300 3.684 3.960 0.041 0.000 0.217 294 G C 1.035 175.930 174.900 -0.009 0.000 1.218 294 G CA 1.182 46.273 45.100 -0.014 0.000 0.787 294 G HN 0.267 nan 8.290 nan 0.000 0.571 295 D N -0.156 120.233 120.400 -0.017 0.000 2.224 295 D HA -0.041 4.624 4.640 0.041 0.000 0.205 295 D C 2.456 178.772 176.300 0.025 0.000 0.965 295 D CA 0.441 54.461 54.000 0.034 0.000 0.852 295 D CB 0.065 40.882 40.800 0.029 0.000 0.947 295 D HN 0.194 nan 8.370 nan 0.000 0.494 296 L N 1.040 122.248 121.223 -0.024 0.000 2.046 296 L HA -0.007 4.357 4.340 0.041 0.000 0.208 296 L C 2.217 179.074 176.870 -0.022 0.000 1.077 296 L CA 1.747 56.574 54.840 -0.022 0.000 0.747 296 L CB -0.838 41.189 42.059 -0.053 0.000 0.896 296 L HN -0.029 nan 8.230 nan 0.000 0.432 297 G N -1.143 107.640 108.800 -0.029 0.000 2.776 297 G HA2 -0.093 3.892 3.960 0.041 0.000 0.209 297 G HA3 -0.093 3.892 3.960 0.041 0.000 0.209 297 G C 1.402 176.260 174.900 -0.069 0.000 1.145 297 G CA 0.806 45.885 45.100 -0.035 0.000 0.791 297 G HN 0.504 nan 8.290 nan 0.000 0.530 298 I N -0.586 119.940 120.570 -0.073 0.000 2.927 298 I HA 0.093 4.288 4.170 0.041 0.000 0.268 298 I C 2.248 178.266 176.117 -0.165 0.000 1.153 298 I CA 0.239 61.444 61.300 -0.159 0.000 1.459 298 I CB 0.086 38.021 38.000 -0.108 0.000 1.149 298 I HN -0.031 nan 8.210 nan 0.000 0.443 299 E N 1.777 121.950 120.200 -0.044 0.000 2.152 299 E HA 0.037 4.412 4.350 0.041 0.000 0.192 299 E C 0.812 177.417 176.600 0.009 0.000 0.983 299 E CA 0.822 57.226 56.400 0.006 0.000 0.818 299 E CB 0.176 29.922 29.700 0.078 0.000 0.758 299 E HN 0.548 nan 8.360 nan 0.000 0.467 300 I N -2.437 118.136 120.570 0.004 0.000 2.957 300 I HA 0.477 4.672 4.170 0.041 0.000 0.310 300 I C -2.674 173.432 176.117 -0.019 0.000 1.063 300 I CA -3.097 58.215 61.300 0.020 0.000 1.033 300 I CB 1.880 39.921 38.000 0.069 0.000 1.230 300 I HN -0.372 nan 8.210 nan 0.000 0.447 301 P HA 0.016 nan 4.420 nan 0.000 0.262 301 P C 0.333 177.632 177.300 -0.003 0.000 1.182 301 P CA 0.261 63.355 63.100 -0.009 0.000 0.761 301 P CB 0.954 32.659 31.700 0.008 0.000 0.795 302 A N 4.827 127.645 122.820 -0.003 0.000 2.015 302 A HA -0.173 4.172 4.320 0.041 0.000 0.219 302 A C 1.767 179.387 177.584 0.060 0.000 1.163 302 A CA 1.198 53.243 52.037 0.013 0.000 0.646 302 A CB -0.803 18.199 19.000 0.003 0.000 0.806 302 A HN 0.660 nan 8.150 nan 0.000 0.448 303 E N 0.528 120.771 120.200 0.072 0.000 2.472 303 E HA -0.169 4.206 4.350 0.041 0.000 0.200 303 E C 1.087 177.806 176.600 0.198 0.000 1.046 303 E CA 1.191 57.675 56.400 0.140 0.000 0.871 303 E CB -0.225 29.538 29.700 0.104 0.000 0.806 303 E HN 0.628 nan 8.360 nan 0.000 0.533 304 K N 0.406 120.840 120.400 0.056 0.000 2.353 304 K HA 0.141 4.485 4.320 0.041 0.000 0.195 304 K C 1.855 178.338 176.600 -0.195 0.000 1.031 304 K CA 0.084 56.308 56.287 -0.105 0.000 1.079 304 K CB 0.683 33.129 32.500 -0.090 0.000 0.857 304 K HN -0.072 nan 8.250 nan 0.000 0.535 305 V N 1.765 121.662 119.914 -0.028 0.000 2.343 305 V HA -0.270 3.875 4.120 0.041 0.000 0.247 305 V C 2.036 178.094 176.094 -0.060 0.000 1.051 305 V CA 1.940 64.217 62.300 -0.037 0.000 1.036 305 V CB -0.592 31.243 31.823 0.020 0.000 0.654 305 V HN 0.368 nan 8.190 nan 0.000 0.451 306 F N 0.048 119.965 119.950 -0.055 0.000 2.250 306 F HA -0.145 4.405 4.527 0.038 0.000 0.301 306 F C 1.878 177.635 175.800 -0.071 0.000 1.077 306 F CA 1.409 59.373 58.000 -0.059 0.000 1.348 306 F CB -1.146 37.826 39.000 -0.047 0.000 1.040 306 F HN 0.087 nan 8.300 nan 0.000 0.509 307 L N 0.928 121.553 121.223 -0.996 0.000 1.988 307 L HA -0.123 4.241 4.340 0.041 0.000 0.207 307 L C 3.050 179.698 176.870 -0.369 0.000 1.071 307 L CA 1.354 55.766 54.840 -0.713 0.000 0.744 307 L CB -1.288 40.364 42.059 -0.678 0.000 0.893 307 L HN 0.317 nan 8.230 nan 0.000 0.433 308 A N -0.588 122.040 122.820 -0.319 0.000 1.940 308 A HA -0.293 4.052 4.320 0.041 0.000 0.219 308 A C 2.268 179.703 177.584 -0.249 0.000 1.176 308 A CA 1.971 53.845 52.037 -0.270 0.000 0.631 308 A CB -0.644 18.219 19.000 -0.229 0.000 0.814 308 A HN 0.545 nan 8.150 nan 0.000 0.446 309 Q N -0.163 119.528 119.800 -0.181 0.000 2.020 309 Q HA -0.223 4.142 4.340 0.041 0.000 0.202 309 Q C 1.976 177.897 176.000 -0.131 0.000 0.982 309 Q CA 2.019 57.742 55.803 -0.132 0.000 0.838 309 Q CB -0.158 28.547 28.738 -0.055 0.000 0.899 309 Q HN 0.679 nan 8.270 nan 0.000 0.423 310 K N -0.033 120.303 120.400 -0.107 0.000 2.062 310 K HA -0.113 4.232 4.320 0.041 0.000 0.205 310 K C 2.244 178.768 176.600 -0.126 0.000 1.051 310 K CA 1.204 57.442 56.287 -0.081 0.000 0.941 310 K CB -0.238 32.245 32.500 -0.030 0.000 0.719 310 K HN 0.318 nan 8.250 nan 0.000 0.440 311 M N 1.547 121.039 119.600 -0.180 0.000 2.065 311 M HA -0.196 4.308 4.480 0.041 0.000 0.259 311 M C 1.976 178.107 176.300 -0.282 0.000 1.069 311 M CA 1.790 56.962 55.300 -0.213 0.000 1.110 311 M CB -0.440 32.008 32.600 -0.253 0.000 1.328 311 M HN 0.121 nan 8.290 nan 0.000 0.405 312 I N 0.309 120.633 120.570 -0.409 0.000 2.099 312 I HA -0.363 3.832 4.170 0.041 0.000 0.239 312 I C 2.464 178.445 176.117 -0.226 0.000 1.066 312 I CA 1.452 62.416 61.300 -0.561 0.000 1.324 312 I CB -0.451 37.197 38.000 -0.587 0.000 1.037 312 I HN 0.290 nan 8.210 nan 0.000 0.401 313 I N 0.642 121.122 120.570 -0.151 0.000 2.194 313 I HA -0.291 3.903 4.170 0.041 0.000 0.246 313 I C 2.603 178.692 176.117 -0.046 0.000 1.093 313 I CA 1.772 63.027 61.300 -0.075 0.000 1.355 313 I CB -0.902 37.061 38.000 -0.061 0.000 1.046 313 I HN 0.338 nan 8.210 nan 0.000 0.413 314 G N 0.402 109.166 108.800 -0.060 0.000 2.418 314 G HA2 -0.212 3.773 3.960 0.041 0.000 0.217 314 G HA3 -0.212 3.773 3.960 0.041 0.000 0.217 314 G C 1.818 176.713 174.900 -0.007 0.000 1.158 314 G CA 0.411 45.491 45.100 -0.034 0.000 0.771 314 G HN 0.308 nan 8.290 nan 0.000 0.545 315 R N -0.701 119.805 120.500 0.009 0.000 2.090 315 R HA 0.008 4.372 4.340 0.041 0.000 0.228 315 R C 2.671 179.042 176.300 0.118 0.000 1.110 315 R CA 1.045 57.205 56.100 0.100 0.000 0.973 315 R CB -0.554 29.896 30.300 0.250 0.000 0.869 315 R HN 0.373 nan 8.270 nan 0.000 0.440 316 C N 0.691 120.066 119.300 0.124 0.000 2.429 316 C HA -0.057 4.427 4.460 0.041 0.000 0.277 316 C C 2.210 177.207 174.990 0.011 0.000 1.262 316 C CA 0.690 59.752 59.018 0.074 0.000 1.733 316 C CB -1.212 26.565 27.740 0.061 0.000 2.010 316 C HN 0.573 nan 8.230 nan 0.000 0.483 317 N N 0.157 118.857 118.700 -0.001 0.000 2.061 317 N HA -0.218 4.546 4.740 0.041 0.000 0.193 317 N C 2.026 177.512 175.510 -0.041 0.000 1.030 317 N CA 1.244 54.282 53.050 -0.019 0.000 0.856 317 N CB -0.241 38.239 38.487 -0.011 0.000 1.023 317 N HN 0.494 nan 8.380 nan 0.000 0.424 318 R N 0.722 121.209 120.500 -0.022 0.000 2.083 318 R HA -0.073 4.292 4.340 0.041 0.000 0.237 318 R C 1.929 178.206 176.300 -0.039 0.000 1.137 318 R CA 1.573 57.656 56.100 -0.028 0.000 0.951 318 R CB -0.136 30.163 30.300 -0.002 0.000 0.851 318 R HN 0.180 nan 8.270 nan 0.000 0.434 319 A N -0.473 122.335 122.820 -0.020 0.000 2.208 319 A HA 0.189 4.534 4.320 0.041 0.000 0.209 319 A C 1.093 178.661 177.584 -0.027 0.000 1.161 319 A CA 0.681 52.704 52.037 -0.023 0.000 0.782 319 A CB -0.205 18.783 19.000 -0.020 0.000 0.816 319 A HN 0.537 nan 8.150 nan 0.000 0.477 320 G N -0.074 108.702 108.800 -0.040 0.000 2.314 320 G HA2 -0.252 3.733 3.960 0.041 0.000 0.292 320 G HA3 -0.252 3.733 3.960 0.041 0.000 0.292 320 G C -0.115 174.810 174.900 0.041 0.000 1.059 320 G CA 0.671 45.762 45.100 -0.016 0.000 0.982 320 G HN 0.589 nan 8.290 nan 0.000 0.505 321 K N 0.217 120.613 120.400 -0.007 0.000 2.259 321 K HA 0.483 4.827 4.320 0.041 0.000 0.252 321 K C -2.536 173.979 176.600 -0.141 0.000 0.936 321 K CA -2.247 54.008 56.287 -0.052 0.000 0.810 321 K CB 2.367 34.835 32.500 -0.054 0.000 1.143 321 K HN -0.028 nan 8.250 nan 0.000 0.427 322 P HA -0.010 nan 4.420 nan 0.000 0.267 322 P C -1.107 176.068 177.300 -0.209 0.000 1.200 322 P CA -0.339 62.529 63.100 -0.387 0.000 0.772 322 P CB 0.642 31.972 31.700 -0.616 0.000 0.855 323 V N 4.662 124.477 119.914 -0.165 0.000 2.668 323 V HA 0.463 4.608 4.120 0.041 0.000 0.304 323 V C -0.937 175.080 176.094 -0.127 0.000 1.071 323 V CA -0.744 61.483 62.300 -0.122 0.000 0.894 323 V CB 1.368 33.149 31.823 -0.071 0.000 1.008 323 V HN 0.279 nan 8.190 nan 0.000 0.425 324 I N 6.470 126.945 120.570 -0.158 0.000 2.354 324 I HA 0.441 4.636 4.170 0.041 0.000 0.292 324 I C 0.065 176.101 176.117 -0.135 0.000 0.989 324 I CA -0.320 60.884 61.300 -0.160 0.000 1.188 324 I CB 1.472 39.319 38.000 -0.255 0.000 1.342 324 I HN 0.633 nan 8.210 nan 0.000 0.457 325 C N 6.495 125.739 119.300 -0.095 0.000 2.369 325 C HA 0.865 5.350 4.460 0.041 0.000 0.358 325 C C 0.426 175.372 174.990 -0.073 0.000 1.274 325 C CA -0.093 58.878 59.018 -0.078 0.000 1.935 325 C CB -0.561 27.149 27.740 -0.050 0.000 2.431 325 C HN 0.895 nan 8.230 nan 0.000 0.545 326 A N 4.493 127.268 122.820 -0.076 0.000 2.498 326 A HA 0.904 5.248 4.320 0.041 0.000 0.298 326 A C -0.158 177.401 177.584 -0.043 0.000 1.075 326 A CA -0.124 51.874 52.037 -0.065 0.000 0.714 326 A CB 1.060 20.001 19.000 -0.098 0.000 1.299 326 A HN 1.522 nan 8.150 nan 0.000 0.407 327 T N 1.356 115.897 114.554 -0.022 0.000 0.643 327 T HA -0.083 4.292 4.350 0.041 0.000 0.764 327 T C 0.117 174.817 174.700 -0.001 0.000 0.990 327 T CA 0.739 62.834 62.100 -0.009 0.000 4.027 327 T CB -1.447 67.410 68.868 -0.018 0.000 2.276 327 T HN 1.538 nan 8.240 nan 0.000 0.395 328 Q N -0.193 119.614 119.800 0.011 0.000 2.424 328 Q HA -0.249 4.116 4.340 0.041 0.000 0.234 328 Q C 1.631 177.638 176.000 0.013 0.000 0.748 328 Q CA 1.523 57.335 55.803 0.015 0.000 1.286 328 Q CB -1.159 27.587 28.738 0.013 0.000 1.494 328 Q HN 0.871 nan 8.270 nan 0.000 0.683 329 M N -0.413 119.193 119.600 0.010 0.000 2.149 329 M HA -0.141 4.363 4.480 0.041 0.000 0.261 329 M C 1.214 177.523 176.300 0.014 0.000 1.064 329 M CA 1.563 56.868 55.300 0.009 0.000 1.102 329 M CB 0.052 32.656 32.600 0.007 0.000 1.369 329 M HN 0.245 nan 8.290 nan 0.000 0.408 330 L N -0.741 120.495 121.223 0.021 0.000 3.291 330 L HA 0.150 4.515 4.340 0.041 0.000 0.307 330 L C 1.233 178.123 176.870 0.033 0.000 1.303 330 L CA -0.344 54.511 54.840 0.026 0.000 0.949 330 L CB 0.281 42.359 42.059 0.031 0.000 1.375 330 L HN 0.058 nan 8.230 nan 0.000 0.596 331 E N 1.393 121.611 120.200 0.029 0.000 2.097 331 E HA -0.262 4.112 4.350 0.041 0.000 0.196 331 E C 2.121 178.745 176.600 0.040 0.000 1.000 331 E CA 2.269 58.689 56.400 0.033 0.000 0.804 331 E CB 0.168 29.885 29.700 0.027 0.000 0.740 331 E HN 0.494 nan 8.360 nan 0.000 0.454 332 S N -0.476 115.246 115.700 0.037 0.000 2.447 332 S HA -0.133 4.362 4.470 0.041 0.000 0.233 332 S C 1.892 176.532 174.600 0.066 0.000 1.006 332 S CA 1.107 59.333 58.200 0.043 0.000 0.957 332 S CB -0.376 62.843 63.200 0.031 0.000 0.773 332 S HN 0.332 nan 8.310 nan 0.000 0.507 333 M N 0.711 120.352 119.600 0.069 0.000 2.700 333 M HA 0.150 4.655 4.480 0.041 0.000 0.249 333 M C 1.487 177.884 176.300 0.161 0.000 1.082 333 M CA 0.622 55.989 55.300 0.111 0.000 1.077 333 M CB -0.649 32.002 32.600 0.084 0.000 1.477 333 M HN 0.357 nan 8.290 nan 0.000 0.529 334 I N 0.369 121.002 120.570 0.104 0.000 2.264 334 I HA -0.291 3.904 4.170 0.041 0.000 0.248 334 I C 1.969 178.134 176.117 0.081 0.000 1.111 334 I CA 1.247 62.593 61.300 0.076 0.000 1.382 334 I CB -0.149 37.877 38.000 0.044 0.000 1.060 334 I HN 0.236 nan 8.210 nan 0.000 0.418 335 K N 0.354 120.830 120.400 0.127 0.000 2.440 335 K HA 0.290 4.635 4.320 0.041 0.000 0.207 335 K C -0.202 176.584 176.600 0.310 0.000 1.112 335 K CA 0.213 56.585 56.287 0.142 0.000 1.036 335 K CB 0.866 33.411 32.500 0.076 0.000 0.935 335 K HN 0.212 nan 8.250 nan 0.000 0.564 336 K N 0.402 120.989 120.400 0.311 0.000 2.422 336 K HA 0.297 4.641 4.320 0.041 0.000 0.251 336 K C -2.344 174.169 176.600 -0.146 0.000 0.933 336 K CA -1.892 54.479 56.287 0.140 0.000 0.798 336 K CB 2.163 34.691 32.500 0.046 0.000 1.238 336 K HN -0.361 nan 8.250 nan 0.000 0.428 337 P HA -0.067 nan 4.420 nan 0.000 0.223 337 P C -0.481 176.643 177.300 -0.293 0.000 1.151 337 P CA 0.906 63.558 63.100 -0.748 0.000 0.787 337 P CB 0.404 31.695 31.700 -0.681 0.000 0.788 338 R N -0.301 120.096 120.500 -0.172 0.000 2.740 338 R HA 0.495 4.859 4.340 0.041 0.000 0.282 338 R C -2.670 173.603 176.300 -0.046 0.000 0.969 338 R CA -2.533 53.514 56.100 -0.089 0.000 0.918 338 R CB 0.238 30.496 30.300 -0.071 0.000 1.175 338 R HN -0.021 nan 8.270 nan 0.000 0.464 339 P HA 0.140 nan 4.420 nan 0.000 0.278 339 P C -0.037 177.258 177.300 -0.008 0.000 1.266 339 P CA -0.385 62.711 63.100 -0.007 0.000 0.807 339 P CB 0.403 32.103 31.700 -0.001 0.000 1.094 340 T N -1.108 113.445 114.554 -0.002 0.000 2.788 340 T HA 0.171 4.546 4.350 0.041 0.000 0.287 340 T C 1.361 176.057 174.700 -0.007 0.000 1.007 340 T CA -0.542 61.555 62.100 -0.004 0.000 1.005 340 T CB 0.344 69.211 68.868 -0.001 0.000 1.012 340 T HN 0.170 nan 8.240 nan 0.000 0.530 341 R N 0.789 121.283 120.500 -0.009 0.000 2.189 341 R HA 0.073 4.438 4.340 0.041 0.000 0.223 341 R C 2.496 178.788 176.300 -0.013 0.000 1.092 341 R CA 1.216 57.309 56.100 -0.012 0.000 0.989 341 R CB -1.698 28.594 30.300 -0.014 0.000 0.876 341 R HN 0.833 nan 8.270 nan 0.000 0.457 342 A N 1.144 123.957 122.820 -0.012 0.000 2.014 342 A HA -0.107 4.237 4.320 0.041 0.000 0.218 342 A C 1.909 179.486 177.584 -0.011 0.000 1.163 342 A CA 1.001 53.029 52.037 -0.015 0.000 0.652 342 A CB -0.106 18.885 19.000 -0.014 0.000 0.808 342 A HN 0.315 nan 8.150 nan 0.000 0.449 343 E N -0.487 119.710 120.200 -0.005 0.000 2.076 343 E HA 0.011 4.386 4.350 0.041 0.000 0.190 343 E C 2.173 178.772 176.600 -0.002 0.000 0.979 343 E CA 0.497 56.897 56.400 -0.001 0.000 0.807 343 E CB -0.345 29.358 29.700 0.005 0.000 0.761 343 E HN 0.549 nan 8.360 nan 0.000 0.454 344 G N 1.065 109.863 108.800 -0.004 0.000 2.628 344 G HA2 -0.403 3.582 3.960 0.041 0.000 0.217 344 G HA3 -0.403 3.582 3.960 0.041 0.000 0.217 344 G C 1.651 176.547 174.900 -0.006 0.000 1.240 344 G CA 1.282 46.379 45.100 -0.005 0.000 0.792 344 G HN 0.327 nan 8.290 nan 0.000 0.593 345 S N 0.489 116.182 115.700 -0.011 0.000 2.372 345 S HA -0.281 4.214 4.470 0.041 0.000 0.227 345 S C 2.090 176.682 174.600 -0.013 0.000 1.044 345 S CA 2.432 60.623 58.200 -0.015 0.000 1.050 345 S CB -0.642 62.544 63.200 -0.023 0.000 0.901 345 S HN 0.484 nan 8.310 nan 0.000 0.447 346 D N -0.075 120.318 120.400 -0.012 0.000 2.092 346 D HA -0.099 4.565 4.640 0.041 0.000 0.193 346 D C 1.966 178.264 176.300 -0.003 0.000 0.994 346 D CA 1.705 55.700 54.000 -0.009 0.000 0.828 346 D CB -0.447 40.349 40.800 -0.006 0.000 0.963 346 D HN 0.303 nan 8.370 nan 0.000 0.450 347 V N 0.799 120.713 119.914 -0.001 0.000 2.252 347 V HA -0.279 3.866 4.120 0.041 0.000 0.249 347 V C 2.581 178.677 176.094 0.003 0.000 1.056 347 V CA 2.093 64.395 62.300 0.002 0.000 1.022 347 V CB -1.081 30.745 31.823 0.006 0.000 0.641 347 V HN 0.379 nan 8.190 nan 0.000 0.445 348 A N -0.016 122.805 122.820 0.002 0.000 1.902 348 A HA -0.234 4.111 4.320 0.041 0.000 0.217 348 A C 2.084 179.674 177.584 0.009 0.000 1.181 348 A CA 1.995 54.035 52.037 0.005 0.000 0.623 348 A CB -0.679 18.323 19.000 0.002 0.000 0.818 348 A HN 0.600 nan 8.150 nan 0.000 0.443 349 N N 0.195 118.898 118.700 0.005 0.000 2.309 349 N HA -0.078 4.686 4.740 0.041 0.000 0.182 349 N C 1.864 177.380 175.510 0.009 0.000 1.018 349 N CA 1.254 54.309 53.050 0.008 0.000 0.876 349 N CB -0.351 38.135 38.487 -0.002 0.000 0.972 349 N HN 0.484 nan 8.380 nan 0.000 0.434 350 A N 0.565 123.388 122.820 0.005 0.000 1.930 350 A HA -0.054 4.290 4.320 0.041 0.000 0.217 350 A C 2.470 180.056 177.584 0.003 0.000 1.175 350 A CA 1.059 53.096 52.037 0.001 0.000 0.627 350 A CB -0.518 18.479 19.000 -0.005 0.000 0.815 350 A HN 0.101 nan 8.150 nan 0.000 0.443 351 V N -0.134 119.785 119.914 0.009 0.000 2.488 351 V HA -0.164 3.981 4.120 0.041 0.000 0.246 351 V C 2.478 178.584 176.094 0.019 0.000 1.046 351 V CA 1.598 63.907 62.300 0.015 0.000 1.053 351 V CB -0.590 31.243 31.823 0.018 0.000 0.679 351 V HN 0.553 nan 8.190 nan 0.000 0.458 352 L N -0.350 120.886 121.223 0.023 0.000 2.141 352 L HA -0.148 4.216 4.340 0.041 0.000 0.209 352 L C 2.310 179.198 176.870 0.031 0.000 1.094 352 L CA 1.244 56.103 54.840 0.032 0.000 0.763 352 L CB -0.659 41.426 42.059 0.045 0.000 0.908 352 L HN 0.316 nan 8.230 nan 0.000 0.437 353 D N 0.196 120.608 120.400 0.020 0.000 2.123 353 D HA -0.134 4.531 4.640 0.041 0.000 0.196 353 D C 1.701 178.005 176.300 0.008 0.000 0.992 353 D CA 1.798 55.805 54.000 0.012 0.000 0.833 353 D CB -0.003 40.798 40.800 0.002 0.000 0.954 353 D HN 0.441 nan 8.370 nan 0.000 0.455 354 G N -1.125 107.679 108.800 0.007 0.000 2.321 354 G HA2 -0.014 3.970 3.960 0.041 0.000 0.174 354 G HA3 -0.014 3.970 3.960 0.041 0.000 0.174 354 G C 0.309 175.209 174.900 0.001 0.000 1.008 354 G CA 0.145 45.250 45.100 0.009 0.000 0.739 354 G HN 0.532 nan 8.290 nan 0.000 0.502 355 A N 0.425 123.240 122.820 -0.008 0.000 2.546 355 A HA 0.470 4.814 4.320 0.041 0.000 0.243 355 A C 1.095 178.672 177.584 -0.013 0.000 1.063 355 A CA 1.343 53.367 52.037 -0.022 0.000 0.757 355 A CB 0.086 19.069 19.000 -0.028 0.000 0.991 355 A HN 0.306 nan 8.150 nan 0.000 0.503 356 D N 0.530 120.911 120.400 -0.031 0.000 2.117 356 D HA 0.008 4.673 4.640 0.041 0.000 0.198 356 D C 0.100 176.394 176.300 -0.011 0.000 0.982 356 D CA 1.484 55.471 54.000 -0.022 0.000 0.828 356 D CB 0.062 40.812 40.800 -0.083 0.000 0.967 356 D HN 0.536 nan 8.370 nan 0.000 0.464 357 C N 0.208 119.486 119.300 -0.036 0.000 2.712 357 C HA 0.618 5.103 4.460 0.041 0.000 0.308 357 C C -0.382 174.588 174.990 -0.033 0.000 1.201 357 C CA -1.201 57.802 59.018 -0.026 0.000 1.554 357 C CB 1.118 28.832 27.740 -0.042 0.000 2.117 357 C HN 0.209 nan 8.230 nan 0.000 0.480 358 I N 0.385 120.947 120.570 -0.014 0.000 2.693 358 I HA 0.781 4.976 4.170 0.041 0.000 0.303 358 I C -0.778 175.334 176.117 -0.008 0.000 1.025 358 I CA -0.818 60.473 61.300 -0.015 0.000 1.086 358 I CB 1.711 39.711 38.000 0.000 0.000 1.268 358 I HN 0.643 nan 8.210 nan 0.000 0.440 359 M N 4.814 124.408 119.600 -0.011 0.000 2.464 359 M HA 0.602 5.106 4.480 0.041 0.000 0.308 359 M C -1.832 174.478 176.300 0.017 0.000 1.127 359 M CA -0.667 54.635 55.300 0.004 0.000 0.913 359 M CB 2.592 35.182 32.600 -0.017 0.000 1.689 359 M HN 0.606 nan 8.290 nan 0.000 0.445 360 L N 2.056 123.299 121.223 0.034 0.000 2.334 360 L HA 0.590 4.955 4.340 0.041 0.000 0.276 360 L C -0.157 176.744 176.870 0.052 0.000 1.014 360 L CA -0.292 54.572 54.840 0.040 0.000 0.815 360 L CB 2.142 44.227 42.059 0.044 0.000 1.268 360 L HN 0.811 nan 8.230 nan 0.000 0.428 361 S N 0.663 116.393 115.700 0.050 0.000 3.152 361 S HA 0.171 4.666 4.470 0.041 0.000 0.173 361 S C 1.553 176.189 174.600 0.059 0.000 0.751 361 S CA 0.348 58.585 58.200 0.061 0.000 0.933 361 S CB -0.339 62.894 63.200 0.056 0.000 0.877 361 S HN 0.852 nan 8.310 nan 0.000 0.766 362 G N 1.399 110.230 108.800 0.052 0.000 2.475 362 G HA2 -0.233 3.752 3.960 0.041 0.000 0.220 362 G HA3 -0.233 3.752 3.960 0.041 0.000 0.220 362 G C 1.049 175.974 174.900 0.042 0.000 1.125 362 G CA 1.420 46.547 45.100 0.044 0.000 0.755 362 G HN 0.534 nan 8.290 nan 0.000 0.565 363 E N 0.037 120.266 120.200 0.047 0.000 2.086 363 E HA -0.153 4.222 4.350 0.041 0.000 0.200 363 E C 2.836 179.468 176.600 0.054 0.000 1.012 363 E CA 2.127 58.559 56.400 0.054 0.000 0.812 363 E CB -0.350 29.383 29.700 0.055 0.000 0.743 363 E HN 0.622 nan 8.360 nan 0.000 0.453 364 T N -2.719 111.867 114.554 0.052 0.000 3.040 364 T HA 0.371 4.745 4.350 0.041 0.000 0.252 364 T C 1.923 176.652 174.700 0.049 0.000 1.064 364 T CA 0.304 62.434 62.100 0.050 0.000 1.110 364 T CB 0.154 69.053 68.868 0.052 0.000 0.921 364 T HN 0.156 nan 8.240 nan 0.000 0.480 365 A N 3.314 126.167 122.820 0.054 0.000 1.854 365 A HA 0.079 4.424 4.320 0.041 0.000 0.214 365 A C 2.201 179.808 177.584 0.039 0.000 1.192 365 A CA 1.548 53.620 52.037 0.058 0.000 0.611 365 A CB -0.315 18.728 19.000 0.071 0.000 0.832 365 A HN 0.709 nan 8.150 nan 0.000 0.442 366 K N -1.454 118.960 120.400 0.023 0.000 2.477 366 K HA 0.329 4.674 4.320 0.041 0.000 0.208 366 K C 0.870 177.462 176.600 -0.014 0.000 1.117 366 K CA 0.321 56.610 56.287 0.002 0.000 1.039 366 K CB 0.053 32.549 32.500 -0.007 0.000 0.937 366 K HN 0.277 nan 8.250 nan 0.000 0.570 367 G N 0.805 109.602 108.800 -0.005 0.000 2.684 367 G HA2 0.000 3.985 3.960 0.041 0.000 0.255 367 G HA3 0.000 3.985 3.960 0.041 0.000 0.255 367 G C -0.241 174.606 174.900 -0.088 0.000 1.219 367 G CA -0.286 44.801 45.100 -0.021 0.000 0.901 367 G HN 0.137 nan 8.290 nan 0.000 0.548 368 D N -1.269 119.018 120.400 -0.188 0.000 2.354 368 D HA 0.047 4.711 4.640 0.041 0.000 0.209 368 D C -0.228 175.698 176.300 -0.625 0.000 1.015 368 D CA 0.882 54.603 54.000 -0.465 0.000 0.867 368 D CB 0.425 40.807 40.800 -0.697 0.000 0.933 368 D HN 0.338 nan 8.370 nan 0.000 0.520 369 Y N -0.323 119.984 120.300 0.012 0.000 2.624 369 Y HA 0.215 4.789 4.550 0.041 0.000 0.302 369 Y C -1.793 174.117 175.900 0.016 0.000 0.939 369 Y CA -1.718 56.390 58.100 0.013 0.000 1.116 369 Y CB 1.073 39.540 38.460 0.012 0.000 1.173 369 Y HN -0.099 nan 8.280 nan 0.000 0.631 370 P HA -0.132 nan 4.420 nan 0.000 0.218 370 P C 1.456 178.803 177.300 0.078 0.000 1.149 370 P CA 1.277 64.425 63.100 0.080 0.000 0.817 370 P CB 0.745 32.474 31.700 0.048 0.000 0.785 371 L N -0.454 120.820 121.223 0.084 0.000 2.056 371 L HA -0.130 4.235 4.340 0.041 0.000 0.207 371 L C 2.501 179.408 176.870 0.062 0.000 1.078 371 L CA 1.622 56.501 54.840 0.065 0.000 0.749 371 L CB -0.811 41.285 42.059 0.062 0.000 0.901 371 L HN -0.055 nan 8.230 nan 0.000 0.433 372 E N 0.189 120.438 120.200 0.082 0.000 2.152 372 E HA -0.131 4.244 4.350 0.041 0.000 0.192 372 E C 2.214 178.842 176.600 0.048 0.000 0.983 372 E CA 1.135 57.566 56.400 0.051 0.000 0.818 372 E CB -0.209 29.505 29.700 0.022 0.000 0.758 372 E HN 0.421 nan 8.360 nan 0.000 0.467 373 A N 0.500 123.361 122.820 0.068 0.000 1.902 373 A HA -0.153 4.191 4.320 0.041 0.000 0.217 373 A C 2.426 180.042 177.584 0.054 0.000 1.181 373 A CA 1.333 53.406 52.037 0.059 0.000 0.623 373 A CB -0.704 18.337 19.000 0.069 0.000 0.818 373 A HN 0.149 nan 8.150 nan 0.000 0.443 374 V N -0.044 119.902 119.914 0.052 0.000 2.295 374 V HA -0.288 3.857 4.120 0.041 0.000 0.246 374 V C 2.618 178.752 176.094 0.067 0.000 1.049 374 V CA 2.354 64.682 62.300 0.048 0.000 1.024 374 V CB -0.852 30.987 31.823 0.026 0.000 0.648 374 V HN 0.530 nan 8.190 nan 0.000 0.447 375 R N -0.916 119.618 120.500 0.056 0.000 2.120 375 R HA -0.141 4.224 4.340 0.041 0.000 0.234 375 R C 2.187 178.557 176.300 0.117 0.000 1.123 375 R CA 1.692 57.837 56.100 0.076 0.000 0.975 375 R CB -0.375 29.949 30.300 0.041 0.000 0.866 375 R HN 0.395 nan 8.270 nan 0.000 0.446 376 M N 0.624 120.269 119.600 0.075 0.000 2.236 376 M HA -0.092 4.412 4.480 0.041 0.000 0.266 376 M C 1.851 178.186 176.300 0.059 0.000 1.070 376 M CA 1.662 56.997 55.300 0.057 0.000 1.137 376 M CB 0.090 32.709 32.600 0.032 0.000 1.378 376 M HN 0.020 nan 8.290 nan 0.000 0.426 377 Q N -1.132 118.709 119.800 0.068 0.000 2.084 377 Q HA -0.239 4.125 4.340 0.041 0.000 0.202 377 Q C 2.179 178.225 176.000 0.077 0.000 0.978 377 Q CA 1.702 57.542 55.803 0.061 0.000 0.844 377 Q CB -0.557 28.215 28.738 0.058 0.000 0.898 377 Q HN 0.686 nan 8.270 nan 0.000 0.426 378 H N 0.904 119.987 119.070 0.022 0.000 2.267 378 H HA -0.119 4.462 4.556 0.042 0.000 0.297 378 H C 2.091 177.437 175.328 0.030 0.000 1.080 378 H CA 1.422 57.488 56.048 0.030 0.000 1.278 378 H CB -0.090 29.691 29.762 0.031 0.000 1.365 378 H HN 0.192 nan 8.280 nan 0.000 0.489 379 L N 0.314 121.558 121.223 0.035 0.000 2.046 379 L HA -0.193 4.171 4.340 0.041 0.000 0.208 379 L C 2.926 179.765 176.870 -0.052 0.000 1.077 379 L CA 1.048 55.872 54.840 -0.027 0.000 0.747 379 L CB -0.363 41.727 42.059 0.052 0.000 0.896 379 L HN 0.288 nan 8.230 nan 0.000 0.432 380 I N -0.150 120.409 120.570 -0.018 0.000 2.179 380 I HA -0.294 3.901 4.170 0.041 0.000 0.242 380 I C 2.862 178.962 176.117 -0.028 0.000 1.088 380 I CA 1.137 62.428 61.300 -0.016 0.000 1.357 380 I CB -0.590 37.409 38.000 -0.000 0.000 1.051 380 I HN 0.195 nan 8.210 nan 0.000 0.409 381 A N 1.308 124.106 122.820 -0.038 0.000 1.881 381 A HA -0.291 4.054 4.320 0.041 0.000 0.219 381 A C 2.415 179.971 177.584 -0.047 0.000 1.215 381 A CA 2.223 54.238 52.037 -0.037 0.000 0.648 381 A CB -0.809 18.167 19.000 -0.040 0.000 0.832 381 A HN 0.377 nan 8.150 nan 0.000 0.455 382 R N -0.840 119.598 120.500 -0.104 0.000 2.115 382 R HA -0.081 4.283 4.340 0.041 0.000 0.230 382 R C 2.052 178.332 176.300 -0.032 0.000 1.111 382 R CA 1.145 57.194 56.100 -0.084 0.000 0.976 382 R CB -0.287 29.925 30.300 -0.147 0.000 0.870 382 R HN 0.563 nan 8.270 nan 0.000 0.445 383 E N 0.938 121.119 120.200 -0.031 0.000 2.051 383 E HA -0.146 4.228 4.350 0.041 0.000 0.192 383 E C 2.007 178.615 176.600 0.012 0.000 0.991 383 E CA 1.487 57.882 56.400 -0.009 0.000 0.799 383 E CB -0.194 29.498 29.700 -0.013 0.000 0.748 383 E HN 0.336 nan 8.360 nan 0.000 0.449 384 A N 1.117 123.945 122.820 0.013 0.000 2.014 384 A HA -0.140 4.204 4.320 0.041 0.000 0.218 384 A C 1.976 179.592 177.584 0.052 0.000 1.163 384 A CA 1.110 53.165 52.037 0.029 0.000 0.652 384 A CB -0.314 18.698 19.000 0.020 0.000 0.808 384 A HN 0.170 nan 8.150 nan 0.000 0.449 385 E N -0.214 120.020 120.200 0.057 0.000 2.150 385 E HA -0.049 4.326 4.350 0.041 0.000 0.193 385 E C 2.128 178.842 176.600 0.189 0.000 0.985 385 E CA 0.883 57.343 56.400 0.100 0.000 0.814 385 E CB -0.184 29.566 29.700 0.084 0.000 0.752 385 E HN 0.623 nan 8.360 nan 0.000 0.466 386 A N 0.815 123.725 122.820 0.151 0.000 2.016 386 A HA 0.131 4.476 4.320 0.041 0.000 0.217 386 A C 2.158 179.876 177.584 0.224 0.000 1.162 386 A CA 1.090 53.242 52.037 0.193 0.000 0.662 386 A CB -0.066 18.988 19.000 0.090 0.000 0.812 386 A HN 0.241 nan 8.150 nan 0.000 0.450 387 A N -0.683 122.227 122.820 0.149 0.000 2.251 387 A HA 0.427 4.771 4.320 0.041 0.000 0.209 387 A C 1.009 178.736 177.584 0.239 0.000 1.187 387 A CA -0.244 51.880 52.037 0.144 0.000 0.823 387 A CB -0.501 18.536 19.000 0.063 0.000 0.846 387 A HN 0.540 nan 8.150 nan 0.000 0.486 388 M N -0.948 118.724 119.600 0.119 0.000 2.250 388 M HA 0.128 4.633 4.480 0.041 0.000 0.325 388 M C 0.011 176.292 176.300 -0.032 0.000 1.084 388 M CA 0.544 55.816 55.300 -0.048 0.000 1.161 388 M CB 0.128 32.516 32.600 -0.355 0.000 1.481 388 M HN 0.359 nan 8.290 nan 0.000 0.449 389 F N 1.929 121.655 119.950 -0.373 0.000 2.509 389 F HA 0.172 4.725 4.527 0.043 0.000 0.344 389 F C 0.714 176.318 175.800 -0.326 0.000 1.197 389 F CA -0.733 56.926 58.000 -0.568 0.000 1.294 389 F CB -0.077 38.389 39.000 -0.891 0.000 1.643 389 F HN 0.682 nan 8.300 nan 0.000 0.596 390 H N 0.807 119.850 119.070 -0.045 0.000 2.321 390 H HA -0.236 4.343 4.556 0.040 0.000 0.295 390 H C 2.391 177.528 175.328 -0.319 0.000 1.102 390 H CA 2.174 58.137 56.048 -0.142 0.000 1.266 390 H CB -0.110 29.523 29.762 -0.215 0.000 1.363 390 H HN 0.464 nan 8.280 nan 0.000 0.492 391 R N 0.839 121.111 120.500 -0.379 0.000 2.091 391 R HA -0.145 4.219 4.340 0.041 0.000 0.238 391 R C 1.735 177.821 176.300 -0.356 0.000 1.136 391 R CA 1.435 57.293 56.100 -0.404 0.000 0.959 391 R CB 0.121 30.182 30.300 -0.398 0.000 0.856 391 R HN 0.179 nan 8.270 nan 0.000 0.437 392 K N 0.435 120.398 120.400 -0.729 0.000 2.103 392 K HA -0.107 4.238 4.320 0.041 0.000 0.204 392 K C 2.037 178.522 176.600 -0.192 0.000 1.052 392 K CA 0.548 56.484 56.287 -0.584 0.000 0.945 392 K CB -0.320 31.518 32.500 -1.103 0.000 0.722 392 K HN 0.153 nan 8.250 nan 0.000 0.443 393 L N 0.692 121.839 121.223 -0.126 0.000 2.017 393 L HA -0.133 4.232 4.340 0.041 0.000 0.208 393 L C 2.188 179.149 176.870 0.152 0.000 1.073 393 L CA 1.498 56.365 54.840 0.045 0.000 0.745 393 L CB -0.795 41.294 42.059 0.049 0.000 0.894 393 L HN 0.047 nan 8.230 nan 0.000 0.432 394 F N 0.883 120.891 119.950 0.097 0.000 2.065 394 F HA -0.276 4.273 4.527 0.036 0.000 0.298 394 F C 2.371 178.244 175.800 0.121 0.000 1.112 394 F CA 2.277 60.396 58.000 0.199 0.000 1.212 394 F CB -0.373 38.831 39.000 0.341 0.000 0.975 394 F HN 0.262 nan 8.300 nan 0.000 0.476 395 E N -0.293 119.939 120.200 0.053 0.000 2.118 395 E HA -0.237 4.138 4.350 0.041 0.000 0.195 395 E C 2.061 178.606 176.600 -0.090 0.000 0.992 395 E CA 1.627 57.989 56.400 -0.063 0.000 0.804 395 E CB -0.260 29.434 29.700 -0.011 0.000 0.741 395 E HN 0.614 nan 8.360 nan 0.000 0.458 396 E N 0.170 120.348 120.200 -0.037 0.000 2.230 396 E HA -0.071 4.304 4.350 0.041 0.000 0.192 396 E C 2.038 178.628 176.600 -0.016 0.000 0.987 396 E CA 0.287 56.679 56.400 -0.012 0.000 0.841 396 E CB 0.160 29.876 29.700 0.027 0.000 0.783 396 E HN 0.213 nan 8.360 nan 0.000 0.481 397 L N 0.571 121.785 121.223 -0.014 0.000 2.068 397 L HA -0.075 4.290 4.340 0.041 0.000 0.204 397 L C 2.558 179.460 176.870 0.053 0.000 1.076 397 L CA 0.951 55.807 54.840 0.027 0.000 0.753 397 L CB -0.365 41.741 42.059 0.079 0.000 0.910 397 L HN 0.094 nan 8.230 nan 0.000 0.439 398 A N 0.151 122.917 122.820 -0.091 0.000 1.892 398 A HA -0.298 4.046 4.320 0.041 0.000 0.218 398 A C 2.436 179.974 177.584 -0.076 0.000 1.188 398 A CA 2.160 54.097 52.037 -0.167 0.000 0.631 398 A CB -0.716 18.012 19.000 -0.455 0.000 0.822 398 A HN 0.362 nan 8.150 nan 0.000 0.447 399 R N -0.434 120.021 120.500 -0.075 0.000 2.083 399 R HA -0.155 4.209 4.340 0.041 0.000 0.237 399 R C 2.269 178.558 176.300 -0.018 0.000 1.137 399 R CA 1.675 57.751 56.100 -0.041 0.000 0.951 399 R CB -0.445 29.835 30.300 -0.033 0.000 0.851 399 R HN 0.458 nan 8.270 nan 0.000 0.434 400 A N 0.249 123.064 122.820 -0.008 0.000 1.969 400 A HA -0.100 4.245 4.320 0.041 0.000 0.218 400 A C 1.916 179.506 177.584 0.009 0.000 1.169 400 A CA 1.586 53.623 52.037 -0.000 0.000 0.635 400 A CB -0.272 18.728 19.000 -0.000 0.000 0.810 400 A HN 0.566 nan 8.150 nan 0.000 0.445 401 S N -0.059 115.657 115.700 0.027 0.000 2.597 401 S HA 0.047 4.542 4.470 0.041 0.000 0.224 401 S C 1.493 176.111 174.600 0.030 0.000 0.955 401 S CA 0.686 58.914 58.200 0.046 0.000 0.933 401 S CB -0.471 62.801 63.200 0.121 0.000 0.788 401 S HN 0.736 nan 8.310 nan 0.000 0.488 402 S N 1.031 116.734 115.700 0.005 0.000 2.447 402 S HA -0.106 4.389 4.470 0.041 0.000 0.233 402 S C 1.728 176.324 174.600 -0.007 0.000 1.006 402 S CA 0.690 58.884 58.200 -0.010 0.000 0.957 402 S CB -0.497 62.691 63.200 -0.020 0.000 0.773 402 S HN 0.497 nan 8.310 nan 0.000 0.507 403 Q N 1.504 121.303 119.800 -0.002 0.000 2.369 403 Q HA 0.214 4.578 4.340 0.041 0.000 0.206 403 Q C 0.897 176.896 176.000 -0.003 0.000 0.963 403 Q CA 0.524 56.325 55.803 -0.003 0.000 0.894 403 Q CB -0.019 28.718 28.738 -0.002 0.000 0.965 403 Q HN 0.587 nan 8.270 nan 0.000 0.475 404 S N -0.769 114.933 115.700 0.003 0.000 2.537 404 S HA 0.222 4.716 4.470 0.041 0.000 0.275 404 S C 0.504 175.100 174.600 -0.006 0.000 1.272 404 S CA -0.169 58.032 58.200 0.002 0.000 1.050 404 S CB 0.908 64.118 63.200 0.017 0.000 0.961 404 S HN 0.338 nan 8.310 nan 0.000 0.496 405 T N 0.764 115.308 114.554 -0.017 0.000 3.200 405 T HA 0.236 4.611 4.350 0.041 0.000 0.284 405 T C -0.055 174.619 174.700 -0.044 0.000 1.009 405 T CA -0.491 61.594 62.100 -0.026 0.000 0.907 405 T CB -0.499 68.356 68.868 -0.022 0.000 1.120 405 T HN 0.653 nan 8.240 nan 0.000 0.534 406 D N 1.213 121.583 120.400 -0.051 0.000 2.493 406 D HA 0.112 4.776 4.640 0.041 0.000 0.240 406 D C 1.330 177.539 176.300 -0.152 0.000 1.142 406 D CA -0.148 53.793 54.000 -0.098 0.000 0.872 406 D CB 0.573 41.325 40.800 -0.080 0.000 1.173 406 D HN 0.182 nan 8.370 nan 0.000 0.467 407 L N 3.389 124.454 121.223 -0.263 0.000 2.046 407 L HA -0.139 4.226 4.340 0.041 0.000 0.208 407 L C 2.308 178.929 176.870 -0.415 0.000 1.077 407 L CA 0.672 55.318 54.840 -0.323 0.000 0.747 407 L CB -0.541 41.297 42.059 -0.368 0.000 0.896 407 L HN 0.601 nan 8.230 nan 0.000 0.432 408 M N 0.506 119.703 119.600 -0.672 0.000 2.065 408 M HA -0.237 4.267 4.480 0.041 0.000 0.259 408 M C 2.119 178.384 176.300 -0.060 0.000 1.069 408 M CA 1.821 56.925 55.300 -0.327 0.000 1.110 408 M CB -0.467 31.983 32.600 -0.249 0.000 1.328 408 M HN 0.140 nan 8.290 nan 0.000 0.405 409 E N -0.550 119.630 120.200 -0.034 0.000 2.097 409 E HA -0.230 4.144 4.350 0.041 0.000 0.196 409 E C 1.939 178.547 176.600 0.013 0.000 1.000 409 E CA 1.355 57.808 56.400 0.089 0.000 0.804 409 E CB -0.347 29.422 29.700 0.114 0.000 0.740 409 E HN 0.667 nan 8.360 nan 0.000 0.454 410 A N 1.143 123.944 122.820 -0.033 0.000 1.883 410 A HA -0.215 4.129 4.320 0.041 0.000 0.217 410 A C 2.146 179.729 177.584 -0.003 0.000 1.186 410 A CA 1.502 53.519 52.037 -0.034 0.000 0.624 410 A CB -0.358 18.625 19.000 -0.028 0.000 0.822 410 A HN 0.144 nan 8.150 nan 0.000 0.444 411 M N -0.539 119.085 119.600 0.039 0.000 2.213 411 M HA -0.094 4.410 4.480 0.041 0.000 0.263 411 M C 2.450 178.787 176.300 0.063 0.000 1.062 411 M CA 1.473 56.821 55.300 0.080 0.000 1.105 411 M CB -1.418 31.286 32.600 0.174 0.000 1.385 411 M HN 0.520 nan 8.290 nan 0.000 0.417 412 A N 0.070 122.934 122.820 0.074 0.000 1.854 412 A HA -0.113 4.232 4.320 0.041 0.000 0.214 412 A C 2.241 179.863 177.584 0.063 0.000 1.192 412 A CA 1.327 53.431 52.037 0.111 0.000 0.611 412 A CB -0.556 18.581 19.000 0.227 0.000 0.832 412 A HN 0.412 nan 8.150 nan 0.000 0.442 413 M N -0.398 119.177 119.600 -0.042 0.000 2.149 413 M HA -0.136 4.368 4.480 0.041 0.000 0.261 413 M C 2.203 178.510 176.300 0.012 0.000 1.064 413 M CA 1.495 56.754 55.300 -0.068 0.000 1.102 413 M CB -0.455 31.967 32.600 -0.296 0.000 1.369 413 M HN 0.541 nan 8.290 nan 0.000 0.408 414 G N -1.173 107.617 108.800 -0.017 0.000 2.408 414 G HA2 -0.144 3.841 3.960 0.041 0.000 0.217 414 G HA3 -0.144 3.841 3.960 0.041 0.000 0.217 414 G C 1.563 176.418 174.900 -0.075 0.000 1.150 414 G CA 0.954 46.036 45.100 -0.030 0.000 0.776 414 G HN 0.425 nan 8.290 nan 0.000 0.542 415 S N -0.056 115.605 115.700 -0.064 0.000 2.371 415 S HA -0.064 4.431 4.470 0.041 0.000 0.224 415 S C 2.505 176.992 174.600 -0.189 0.000 1.029 415 S CA 0.967 59.116 58.200 -0.086 0.000 0.978 415 S CB -0.171 63.010 63.200 -0.032 0.000 0.833 415 S HN 0.168 nan 8.310 nan 0.000 0.466 416 V N 1.820 121.582 119.914 -0.254 0.000 2.295 416 V HA -0.164 3.981 4.120 0.041 0.000 0.246 416 V C 2.559 178.122 176.094 -0.885 0.000 1.049 416 V CA 2.032 64.014 62.300 -0.531 0.000 1.024 416 V CB -0.681 30.888 31.823 -0.423 0.000 0.648 416 V HN 0.395 nan 8.190 nan 0.000 0.447 417 E N 0.911 120.668 120.200 -0.739 0.000 2.049 417 E HA -0.248 4.127 4.350 0.041 0.000 0.198 417 E C 2.132 178.571 176.600 -0.269 0.000 1.007 417 E CA 2.037 58.119 56.400 -0.529 0.000 0.809 417 E CB -0.595 28.938 29.700 -0.278 0.000 0.749 417 E HN 0.507 nan 8.360 nan 0.000 0.450 418 A N 0.221 122.920 122.820 -0.202 0.000 1.902 418 A HA -0.214 4.130 4.320 0.041 0.000 0.217 418 A C 2.418 179.931 177.584 -0.119 0.000 1.181 418 A CA 2.546 54.512 52.037 -0.119 0.000 0.623 418 A CB -1.167 17.780 19.000 -0.087 0.000 0.818 418 A HN 0.464 nan 8.150 nan 0.000 0.443 419 S N -1.193 114.395 115.700 -0.187 0.000 2.370 419 S HA -0.237 4.258 4.470 0.041 0.000 0.226 419 S C 1.917 176.475 174.600 -0.070 0.000 1.033 419 S CA 1.689 59.796 58.200 -0.156 0.000 1.011 419 S CB -0.801 62.271 63.200 -0.213 0.000 0.852 419 S HN 0.512 nan 8.310 nan 0.000 0.457 420 Y N 2.203 122.417 120.300 -0.144 0.000 2.200 420 Y HA 0.130 4.706 4.550 0.044 0.000 0.290 420 Y C 2.664 178.507 175.900 -0.096 0.000 1.137 420 Y CA 1.055 59.072 58.100 -0.138 0.000 1.163 420 Y CB -0.958 37.391 38.460 -0.184 0.000 0.988 420 Y HN 0.294 nan 8.280 nan 0.000 0.518 421 K N 0.770 121.219 120.400 0.081 0.000 2.097 421 K HA -0.108 4.236 4.320 0.041 0.000 0.205 421 K C 1.693 178.302 176.600 0.016 0.000 1.050 421 K CA 1.620 57.926 56.287 0.033 0.000 0.938 421 K CB -0.602 31.903 32.500 0.008 0.000 0.718 421 K HN 0.438 nan 8.250 nan 0.000 0.442 422 C N -0.285 119.017 119.300 0.004 0.000 2.778 422 C HA 0.491 4.976 4.460 0.041 0.000 0.294 422 C C 0.546 175.537 174.990 0.002 0.000 1.331 422 C CA -0.884 58.132 59.018 -0.003 0.000 1.741 422 C CB -1.416 26.315 27.740 -0.016 0.000 2.106 422 C HN 0.440 nan 8.230 nan 0.000 0.603 423 L N 0.308 121.540 121.223 0.015 0.000 3.742 423 L HA -0.243 4.121 4.340 0.041 0.000 0.431 423 L C 1.137 178.011 176.870 0.007 0.000 1.220 423 L CA 0.445 55.296 54.840 0.018 0.000 0.863 423 L CB -2.323 39.749 42.059 0.022 0.000 1.751 423 L HN 0.714 nan 8.230 nan 0.000 0.922 424 A N -0.034 122.780 122.820 -0.009 0.000 2.531 424 A HA 0.471 4.815 4.320 0.041 0.000 0.236 424 A C 1.434 179.014 177.584 -0.007 0.000 1.062 424 A CA 0.688 52.709 52.037 -0.026 0.000 0.760 424 A CB 0.671 19.640 19.000 -0.051 0.000 0.995 424 A HN 0.642 nan 8.150 nan 0.000 0.501 425 A N 1.616 124.439 122.820 0.004 0.000 2.119 425 A HA 0.503 4.848 4.320 0.041 0.000 0.216 425 A C 1.034 178.697 177.584 0.131 0.000 1.152 425 A CA 1.543 53.632 52.037 0.087 0.000 0.708 425 A CB -0.440 18.660 19.000 0.167 0.000 0.805 425 A HN 2.488 nan 8.150 nan 0.000 0.460 426 A N -1.856 120.995 122.820 0.052 0.000 2.569 426 A HA 0.562 4.907 4.320 0.041 0.000 0.292 426 A C -1.847 175.747 177.584 0.017 0.000 1.032 426 A CA -0.660 51.429 52.037 0.086 0.000 0.669 426 A CB 0.132 19.314 19.000 0.305 0.000 1.290 426 A HN 0.306 nan 8.150 nan 0.000 0.422 427 L N 1.014 122.260 121.223 0.039 0.000 2.322 427 L HA 0.660 5.024 4.340 0.041 0.000 0.281 427 L C -0.543 176.363 176.870 0.061 0.000 1.014 427 L CA -0.050 54.803 54.840 0.022 0.000 0.815 427 L CB 1.593 43.657 42.059 0.009 0.000 1.247 427 L HN 0.575 nan 8.230 nan 0.000 0.421 428 I N 3.785 124.380 120.570 0.041 0.000 2.330 428 I HA 0.435 4.630 4.170 0.041 0.000 0.289 428 I C -0.740 175.401 176.117 0.040 0.000 1.001 428 I CA -0.586 60.749 61.300 0.058 0.000 1.193 428 I CB 1.456 39.482 38.000 0.044 0.000 1.345 428 I HN 0.208 nan 8.210 nan 0.000 0.461 429 V N 7.401 127.343 119.914 0.046 0.000 2.495 429 V HA 0.415 4.560 4.120 0.041 0.000 0.298 429 V C -0.335 175.771 176.094 0.020 0.000 1.031 429 V CA -0.689 61.630 62.300 0.032 0.000 0.871 429 V CB 1.944 33.783 31.823 0.027 0.000 0.988 429 V HN 0.360 nan 8.190 nan 0.000 0.432 430 L N 4.035 125.267 121.223 0.016 0.000 2.282 430 L HA 0.806 5.170 4.340 0.041 0.000 0.288 430 L C 0.144 177.024 176.870 0.017 0.000 1.033 430 L CA 0.594 55.438 54.840 0.006 0.000 0.807 430 L CB 1.674 43.726 42.059 -0.011 0.000 1.209 430 L HN 0.859 nan 8.230 nan 0.000 0.423 431 T N 0.955 115.511 114.554 0.003 0.000 3.012 431 T HA 0.349 4.724 4.350 0.041 0.000 0.330 431 T C 0.207 174.904 174.700 -0.005 0.000 1.321 431 T CA -0.316 61.778 62.100 -0.009 0.000 1.067 431 T CB 1.406 70.230 68.868 -0.073 0.000 1.235 431 T HN 0.696 nan 8.240 nan 0.000 0.479 432 E N 2.067 122.274 120.200 0.010 0.000 2.175 432 E HA 0.122 4.497 4.350 0.041 0.000 0.195 432 E C 1.947 178.553 176.600 0.009 0.000 0.934 432 E CA 1.725 58.138 56.400 0.022 0.000 0.870 432 E CB -0.210 29.518 29.700 0.048 0.000 0.838 432 E HN 0.524 nan 8.360 nan 0.000 0.474 433 S N -1.023 114.675 115.700 -0.003 0.000 2.470 433 S HA 0.245 4.739 4.470 0.041 0.000 0.225 433 S C 1.839 176.397 174.600 -0.070 0.000 1.006 433 S CA 0.780 58.980 58.200 -0.002 0.000 0.934 433 S CB -0.052 63.158 63.200 0.018 0.000 0.778 433 S HN 0.724 nan 8.310 nan 0.000 0.517 434 G N 1.728 110.402 108.800 -0.210 0.000 2.241 434 G HA2 -0.311 3.673 3.960 0.041 0.000 0.244 434 G HA3 -0.311 3.673 3.960 0.041 0.000 0.244 434 G C 1.052 175.289 174.900 -1.105 0.000 0.998 434 G CA 0.286 45.030 45.100 -0.593 0.000 0.621 434 G HN 0.501 nan 8.290 nan 0.000 0.519 435 R N 0.955 121.146 120.500 -0.515 0.000 2.105 435 R HA -0.010 4.355 4.340 0.041 0.000 0.239 435 R C 2.773 178.963 176.300 -0.184 0.000 1.135 435 R CA 1.832 57.782 56.100 -0.252 0.000 0.967 435 R CB -0.407 29.885 30.300 -0.014 0.000 0.861 435 R HN 0.438 nan 8.270 nan 0.000 0.442 436 S N 0.624 116.246 115.700 -0.130 0.000 2.382 436 S HA -0.136 4.359 4.470 0.041 0.000 0.228 436 S C 2.041 176.599 174.600 -0.070 0.000 1.027 436 S CA 1.256 59.438 58.200 -0.030 0.000 0.991 436 S CB -0.102 63.123 63.200 0.040 0.000 0.823 436 S HN 0.492 nan 8.310 nan 0.000 0.469 437 A N 1.282 123.984 122.820 -0.196 0.000 1.930 437 A HA -0.055 4.290 4.320 0.041 0.000 0.215 437 A C 1.652 179.167 177.584 -0.115 0.000 1.176 437 A CA 1.089 53.041 52.037 -0.141 0.000 0.632 437 A CB -0.866 18.030 19.000 -0.173 0.000 0.819 437 A HN 0.659 nan 8.150 nan 0.000 0.445 438 H N -0.636 118.262 119.070 -0.286 0.000 2.387 438 H HA -0.137 4.443 4.556 0.040 0.000 0.299 438 H C 2.203 177.459 175.328 -0.120 0.000 1.099 438 H CA 1.165 56.948 56.048 -0.443 0.000 1.315 438 H CB 0.133 29.531 29.762 -0.605 0.000 1.380 438 H HN 0.429 nan 8.280 nan 0.000 0.513 439 Q N 0.501 120.339 119.800 0.063 0.000 2.083 439 Q HA -0.085 4.280 4.340 0.041 0.000 0.198 439 Q C 2.749 178.846 176.000 0.163 0.000 0.969 439 Q CA 0.790 56.655 55.803 0.103 0.000 0.838 439 Q CB -0.352 28.453 28.738 0.112 0.000 0.900 439 Q HN 0.352 nan 8.270 nan 0.000 0.436 440 V N 1.656 121.650 119.914 0.133 0.000 2.233 440 V HA -0.299 3.846 4.120 0.041 0.000 0.247 440 V C 2.482 178.672 176.094 0.160 0.000 1.050 440 V CA 2.020 64.411 62.300 0.152 0.000 1.010 440 V CB -1.297 30.581 31.823 0.091 0.000 0.637 440 V HN 0.350 nan 8.190 nan 0.000 0.444 441 A N 0.324 123.223 122.820 0.132 0.000 1.927 441 A HA -0.333 4.012 4.320 0.041 0.000 0.220 441 A C 2.418 180.086 177.584 0.141 0.000 1.185 441 A CA 2.471 54.602 52.037 0.156 0.000 0.639 441 A CB -0.724 18.401 19.000 0.207 0.000 0.820 441 A HN 0.578 nan 8.150 nan 0.000 0.451 442 R N -2.027 118.522 120.500 0.082 0.000 2.120 442 R HA -0.167 4.198 4.340 0.041 0.000 0.234 442 R C 0.950 177.145 176.300 -0.174 0.000 1.123 442 R CA 1.747 57.802 56.100 -0.076 0.000 0.975 442 R CB -0.348 29.830 30.300 -0.204 0.000 0.866 442 R HN 0.528 nan 8.270 nan 0.000 0.446 443 Y N 1.092 121.491 120.300 0.166 0.000 2.470 443 Y HA 0.262 4.834 4.550 0.037 0.000 0.284 443 Y C 0.000 176.085 175.900 0.308 0.000 1.188 443 Y CA -0.230 58.019 58.100 0.248 0.000 1.269 443 Y CB 0.339 38.991 38.460 0.320 0.000 1.094 443 Y HN -0.031 nan 8.280 nan 0.000 0.518 444 R N -0.238 120.446 120.500 0.305 0.000 3.146 444 R HA -0.151 4.213 4.340 0.041 0.000 0.250 444 R C -2.970 173.545 176.300 0.358 0.000 0.912 444 R CA 0.161 56.441 56.100 0.300 0.000 0.633 444 R CB -2.069 28.404 30.300 0.288 0.000 1.180 444 R HN 0.288 nan 8.270 nan 0.000 0.464 445 P HA 0.082 nan 4.420 nan 0.000 0.276 445 P C 0.568 177.994 177.300 0.210 0.000 1.244 445 P CA -0.389 62.768 63.100 0.095 0.000 0.801 445 P CB 0.475 32.136 31.700 -0.065 0.000 1.006 446 R N 0.798 121.376 120.500 0.130 0.000 2.210 446 R HA 0.310 4.675 4.340 0.041 0.000 0.203 446 R C 0.804 177.100 176.300 -0.007 0.000 1.010 446 R CA 0.106 56.189 56.100 -0.028 0.000 1.008 446 R CB -0.434 29.567 30.300 -0.498 0.000 0.923 446 R HN 0.396 nan 8.270 nan 0.000 0.469 447 A N 3.105 125.917 122.820 -0.013 0.000 2.316 447 A HA 0.442 4.786 4.320 0.041 0.000 0.284 447 A C -2.217 175.350 177.584 -0.029 0.000 1.115 447 A CA -2.065 49.953 52.037 -0.031 0.000 0.812 447 A CB 0.209 19.197 19.000 -0.021 0.000 1.064 447 A HN 0.180 nan 8.150 nan 0.000 0.489 448 P HA 0.225 nan 4.420 nan 0.000 0.270 448 P C -0.884 176.433 177.300 0.028 0.000 1.223 448 P CA 0.222 63.267 63.100 -0.091 0.000 0.785 448 P CB 0.538 32.008 31.700 -0.384 0.000 0.923 449 I N 2.324 122.952 120.570 0.096 0.000 2.405 449 I HA 0.290 4.485 4.170 0.041 0.000 0.280 449 I C 0.505 176.736 176.117 0.191 0.000 1.027 449 I CA -0.564 60.810 61.300 0.125 0.000 1.161 449 I CB 0.510 38.575 38.000 0.108 0.000 1.300 449 I HN 0.104 nan 8.210 nan 0.000 0.463 450 I N 5.765 126.457 120.570 0.204 0.000 2.421 450 I HA 0.323 4.518 4.170 0.041 0.000 0.291 450 I C 0.640 176.852 176.117 0.157 0.000 1.089 450 I CA -0.000 61.446 61.300 0.244 0.000 1.354 450 I CB 0.591 38.747 38.000 0.260 0.000 1.413 450 I HN 0.585 nan 8.210 nan 0.000 0.513 451 A N 7.292 130.194 122.820 0.137 0.000 2.267 451 A HA 0.621 4.966 4.320 0.041 0.000 0.315 451 A C -0.415 177.195 177.584 0.044 0.000 1.297 451 A CA -0.472 51.602 52.037 0.062 0.000 0.865 451 A CB 0.782 19.796 19.000 0.023 0.000 1.165 451 A HN 0.468 nan 8.150 nan 0.000 0.513 452 V N 2.349 122.281 119.914 0.029 0.000 2.407 452 V HA 0.674 4.819 4.120 0.041 0.000 0.278 452 V C 0.493 176.582 176.094 -0.008 0.000 1.037 452 V CA -0.005 62.303 62.300 0.014 0.000 0.900 452 V CB 1.364 33.193 31.823 0.010 0.000 0.983 452 V HN 0.916 nan 8.190 nan 0.000 0.459 453 T N 4.431 118.974 114.554 -0.020 0.000 2.956 453 T HA 0.366 4.740 4.350 0.041 0.000 0.312 453 T C 0.579 175.252 174.700 -0.044 0.000 1.151 453 T CA -0.639 61.446 62.100 -0.024 0.000 1.024 453 T CB 1.452 70.306 68.868 -0.022 0.000 1.140 453 T HN 0.661 nan 8.240 nan 0.000 0.473 454 R N 2.109 122.598 120.500 -0.018 0.000 2.313 454 R HA 0.152 4.516 4.340 0.041 0.000 0.199 454 R C 0.442 176.761 176.300 0.032 0.000 0.958 454 R CA -0.050 56.042 56.100 -0.013 0.000 1.047 454 R CB 0.155 30.472 30.300 0.028 0.000 0.955 454 R HN 0.323 nan 8.270 nan 0.000 0.481 455 N N 0.759 119.480 118.700 0.035 0.000 2.500 455 N HA -0.001 4.763 4.740 0.041 0.000 0.236 455 N C 0.209 175.782 175.510 0.105 0.000 1.022 455 N CA 0.026 53.137 53.050 0.102 0.000 0.935 455 N CB 0.648 39.179 38.487 0.073 0.000 1.147 455 N HN 0.098 nan 8.380 nan 0.000 0.512 456 H N 1.403 120.496 119.070 0.039 0.000 2.353 456 H HA -0.152 4.428 4.556 0.041 0.000 0.298 456 H C 1.678 177.041 175.328 0.058 0.000 1.103 456 H CA 1.806 57.886 56.048 0.054 0.000 1.293 456 H CB 0.300 30.091 29.762 0.049 0.000 1.372 456 H HN 0.633 nan 8.280 nan 0.000 0.501 457 Q N -0.064 119.842 119.800 0.177 0.000 2.123 457 Q HA -0.139 4.225 4.340 0.041 0.000 0.199 457 Q C 1.772 177.833 176.000 0.102 0.000 0.966 457 Q CA 1.576 57.450 55.803 0.118 0.000 0.845 457 Q CB 0.113 28.905 28.738 0.091 0.000 0.907 457 Q HN 0.429 nan 8.270 nan 0.000 0.439 458 T N 0.646 115.256 114.554 0.092 0.000 2.684 458 T HA -0.190 4.185 4.350 0.041 0.000 0.267 458 T C 1.738 176.474 174.700 0.060 0.000 1.036 458 T CA 1.508 63.657 62.100 0.081 0.000 1.148 458 T CB -0.386 68.510 68.868 0.047 0.000 0.863 458 T HN 0.486 nan 8.240 nan 0.000 0.436 459 A N 1.457 124.292 122.820 0.025 0.000 1.972 459 A HA -0.106 4.239 4.320 0.041 0.000 0.219 459 A C 2.367 179.911 177.584 -0.067 0.000 1.169 459 A CA 1.321 53.337 52.037 -0.035 0.000 0.635 459 A CB -0.416 18.565 19.000 -0.032 0.000 0.810 459 A HN 0.428 nan 8.150 nan 0.000 0.446 460 R N -0.801 119.721 120.500 0.038 0.000 2.090 460 R HA -0.079 4.286 4.340 0.041 0.000 0.228 460 R C 2.240 178.608 176.300 0.112 0.000 1.110 460 R CA 1.457 57.614 56.100 0.094 0.000 0.973 460 R CB -0.274 30.100 30.300 0.122 0.000 0.869 460 R HN 0.655 nan 8.270 nan 0.000 0.440 461 Q N 0.027 119.896 119.800 0.115 0.000 2.369 461 Q HA 0.034 4.399 4.340 0.041 0.000 0.206 461 Q C 1.908 178.045 176.000 0.229 0.000 0.963 461 Q CA 0.879 56.780 55.803 0.163 0.000 0.894 461 Q CB 0.158 29.000 28.738 0.173 0.000 0.965 461 Q HN 0.316 nan 8.270 nan 0.000 0.475 462 A N 0.392 123.310 122.820 0.163 0.000 2.121 462 A HA -0.178 4.166 4.320 0.041 0.000 0.218 462 A C 1.317 179.016 177.584 0.193 0.000 1.154 462 A CA 0.947 53.112 52.037 0.214 0.000 0.679 462 A CB -0.441 18.577 19.000 0.031 0.000 0.795 462 A HN 0.350 nan 8.150 nan 0.000 0.458 463 H N -0.478 118.681 119.070 0.148 0.000 2.567 463 H HA 0.074 4.654 4.556 0.041 0.000 0.276 463 H C 1.483 176.856 175.328 0.074 0.000 1.016 463 H CA 0.790 56.887 56.048 0.080 0.000 1.186 463 H CB -0.043 29.733 29.762 0.024 0.000 1.351 463 H HN 0.458 nan 8.280 nan 0.000 0.605 464 L N -0.488 120.837 121.223 0.169 0.000 2.492 464 L HA -0.015 4.350 4.340 0.041 0.000 0.223 464 L C -0.054 176.686 176.870 -0.218 0.000 1.132 464 L CA 0.333 55.128 54.840 -0.075 0.000 0.850 464 L CB 0.029 41.935 42.059 -0.255 0.000 0.966 464 L HN 0.094 nan 8.230 nan 0.000 0.454 465 Y N -0.625 119.700 120.300 0.043 0.000 2.352 465 Y HA 0.420 4.994 4.550 0.040 0.000 0.339 465 Y C 0.522 176.467 175.900 0.075 0.000 0.992 465 Y CA -1.294 56.831 58.100 0.042 0.000 1.100 465 Y CB 0.918 39.415 38.460 0.062 0.000 1.192 465 Y HN -0.135 nan 8.280 nan 0.000 0.458 466 R N 1.560 122.174 120.500 0.191 0.000 2.537 466 R HA 0.259 4.624 4.340 0.041 0.000 0.281 466 R C 1.177 177.584 176.300 0.179 0.000 0.988 466 R CA 1.412 57.605 56.100 0.155 0.000 1.077 466 R CB -0.467 29.905 30.300 0.120 0.000 0.932 466 R HN 0.980 nan 8.270 nan 0.000 0.409 467 G N 3.856 112.755 108.800 0.164 0.000 2.284 467 G HA2 -0.302 3.683 3.960 0.041 0.000 0.247 467 G HA3 -0.302 3.683 3.960 0.041 0.000 0.247 467 G C 0.274 175.287 174.900 0.188 0.000 1.012 467 G CA 0.228 45.421 45.100 0.155 0.000 0.618 467 G HN 0.580 nan 8.290 nan 0.000 0.521 468 I N 1.038 121.730 120.570 0.204 0.000 2.436 468 I HA 0.377 4.571 4.170 0.041 0.000 0.289 468 I C -0.111 176.130 176.117 0.206 0.000 1.083 468 I CA -0.312 61.103 61.300 0.191 0.000 1.372 468 I CB 0.519 38.616 38.000 0.161 0.000 1.408 468 I HN 0.089 nan 8.210 nan 0.000 0.516 469 F N 9.898 129.904 119.950 0.093 0.000 2.291 469 F HA 0.400 4.951 4.527 0.040 0.000 0.368 469 F C -1.993 173.844 175.800 0.063 0.000 1.085 469 F CA -2.462 55.608 58.000 0.118 0.000 1.165 469 F CB 0.734 39.859 39.000 0.208 0.000 1.429 469 F HN 0.278 nan 8.300 nan 0.000 0.503 470 P HA 0.112 nan 4.420 nan 0.000 0.271 470 P C -1.019 176.285 177.300 0.007 0.000 1.216 470 P CA 0.065 63.126 63.100 -0.065 0.000 0.771 470 P CB 1.944 33.509 31.700 -0.225 0.000 0.864 471 V N 4.318 124.271 119.914 0.065 0.000 2.531 471 V HA 0.166 4.311 4.120 0.041 0.000 0.301 471 V C 0.378 176.494 176.094 0.036 0.000 1.034 471 V CA -0.906 61.448 62.300 0.091 0.000 0.865 471 V CB 2.226 34.127 31.823 0.131 0.000 0.995 471 V HN 0.270 nan 8.190 nan 0.000 0.424 472 V N 3.894 123.829 119.914 0.036 0.000 2.530 472 V HA 0.155 4.300 4.120 0.041 0.000 0.282 472 V C 0.385 176.440 176.094 -0.064 0.000 1.048 472 V CA -0.173 62.088 62.300 -0.065 0.000 0.997 472 V CB 1.298 33.042 31.823 -0.131 0.000 0.987 472 V HN 1.035 nan 8.190 nan 0.000 0.477 473 C N 7.063 126.311 119.300 -0.086 0.000 2.265 473 C HA 0.413 4.897 4.460 0.041 0.000 0.332 473 C C 1.382 176.330 174.990 -0.070 0.000 1.248 473 C CA -0.851 58.132 59.018 -0.059 0.000 1.727 473 C CB -0.237 27.478 27.740 -0.042 0.000 2.348 473 C HN 1.060 nan 8.230 nan 0.000 0.519 474 K N 3.163 123.535 120.400 -0.046 0.000 2.358 474 K HA 0.209 4.554 4.320 0.041 0.000 0.197 474 K C -0.191 176.412 176.600 0.005 0.000 1.025 474 K CA -0.185 56.096 56.287 -0.010 0.000 1.104 474 K CB 0.154 32.649 32.500 -0.009 0.000 0.855 474 K HN 0.583 nan 8.250 nan 0.000 0.531 475 D N 4.222 124.618 120.400 -0.008 0.000 2.372 475 D HA 0.130 4.794 4.640 0.041 0.000 0.243 475 D C -2.101 174.199 176.300 -0.000 0.000 1.121 475 D CA -1.260 52.736 54.000 -0.007 0.000 0.898 475 D CB 0.963 41.751 40.800 -0.019 0.000 1.202 475 D HN 0.128 nan 8.370 nan 0.000 0.428 476 P HA 0.038 nan 4.420 nan 0.000 0.274 476 P C -0.124 177.179 177.300 0.004 0.000 1.231 476 P CA -0.462 62.644 63.100 0.009 0.000 0.790 476 P CB 0.705 32.410 31.700 0.009 0.000 0.951 477 V N 3.565 123.489 119.914 0.017 0.000 2.540 477 V HA -0.061 4.084 4.120 0.041 0.000 0.297 477 V C 1.167 177.271 176.094 0.017 0.000 1.024 477 V CA 0.376 62.690 62.300 0.023 0.000 1.105 477 V CB -0.356 31.502 31.823 0.058 0.000 0.938 477 V HN 0.508 nan 8.190 nan 0.000 0.482 478 Q N 3.191 122.989 119.800 -0.003 0.000 2.368 478 Q HA 0.161 4.526 4.340 0.041 0.000 0.237 478 Q C 1.173 177.185 176.000 0.020 0.000 0.987 478 Q CA -0.175 55.623 55.803 -0.009 0.000 0.896 478 Q CB 0.927 29.637 28.738 -0.047 0.000 1.241 478 Q HN 0.816 nan 8.270 nan 0.000 0.485 479 E N 1.081 121.289 120.200 0.013 0.000 2.023 479 E HA -0.119 4.256 4.350 0.041 0.000 0.196 479 E C -0.177 176.449 176.600 0.042 0.000 1.003 479 E CA 1.059 57.474 56.400 0.025 0.000 0.809 479 E CB 0.124 29.831 29.700 0.011 0.000 0.755 479 E HN 0.640 nan 8.360 nan 0.000 0.449 480 A N 0.784 123.618 122.820 0.023 0.000 2.320 480 A HA 0.008 4.353 4.320 0.041 0.000 0.287 480 A C 0.432 178.045 177.584 0.049 0.000 1.181 480 A CA -0.465 51.594 52.037 0.036 0.000 0.831 480 A CB -0.043 18.956 19.000 -0.003 0.000 1.102 480 A HN 0.681 nan 8.150 nan 0.000 0.513 481 W N 3.025 124.277 121.300 -0.080 0.000 2.342 481 W HA -0.246 4.438 4.660 0.040 0.000 0.297 481 W C 1.588 178.033 176.519 -0.122 0.000 1.213 481 W CA 2.053 59.340 57.345 -0.097 0.000 1.251 481 W CB -0.110 29.282 29.460 -0.113 0.000 1.136 481 W HN 0.773 nan 8.180 nan 0.000 0.526 482 A N 0.712 123.420 122.820 -0.186 0.000 1.930 482 A HA -0.221 4.124 4.320 0.041 0.000 0.217 482 A C 1.824 179.236 177.584 -0.287 0.000 1.175 482 A CA 1.790 53.647 52.037 -0.300 0.000 0.627 482 A CB -0.916 17.974 19.000 -0.183 0.000 0.815 482 A HN 0.459 nan 8.150 nan 0.000 0.443 483 E N -0.556 119.527 120.200 -0.195 0.000 2.077 483 E HA -0.233 4.142 4.350 0.041 0.000 0.193 483 E C 1.656 178.134 176.600 -0.203 0.000 0.989 483 E CA 1.286 57.591 56.400 -0.159 0.000 0.800 483 E CB -0.197 29.445 29.700 -0.097 0.000 0.746 483 E HN 0.663 nan 8.360 nan 0.000 0.452 484 D N -0.162 120.078 120.400 -0.267 0.000 2.178 484 D HA -0.126 4.539 4.640 0.041 0.000 0.201 484 D C 1.787 177.847 176.300 -0.399 0.000 0.980 484 D CA 0.599 54.414 54.000 -0.307 0.000 0.842 484 D CB 0.247 40.844 40.800 -0.338 0.000 0.948 484 D HN -0.054 nan 8.370 nan 0.000 0.472 485 V N 0.554 120.144 119.914 -0.539 0.000 2.323 485 V HA -0.164 3.980 4.120 0.041 0.000 0.244 485 V C 1.812 177.747 176.094 -0.266 0.000 1.041 485 V CA 1.753 63.770 62.300 -0.473 0.000 1.025 485 V CB -0.450 31.029 31.823 -0.573 0.000 0.656 485 V HN 0.188 nan 8.190 nan 0.000 0.451 486 D N 0.146 120.411 120.400 -0.225 0.000 2.104 486 D HA -0.208 4.457 4.640 0.041 0.000 0.194 486 D C 2.057 178.289 176.300 -0.113 0.000 0.994 486 D CA 1.441 55.355 54.000 -0.144 0.000 0.830 486 D CB -0.425 40.302 40.800 -0.123 0.000 0.959 486 D HN 0.376 nan 8.370 nan 0.000 0.452 487 L N 0.478 121.627 121.223 -0.122 0.000 2.012 487 L HA -0.223 4.141 4.340 0.041 0.000 0.210 487 L C 2.489 179.312 176.870 -0.078 0.000 1.073 487 L CA 1.523 56.309 54.840 -0.090 0.000 0.748 487 L CB 0.025 42.028 42.059 -0.094 0.000 0.891 487 L HN -0.077 nan 8.230 nan 0.000 0.431 488 R N -1.102 119.335 120.500 -0.104 0.000 2.075 488 R HA -0.110 4.255 4.340 0.041 0.000 0.232 488 R C 2.122 178.393 176.300 -0.048 0.000 1.126 488 R CA 1.484 57.537 56.100 -0.079 0.000 0.963 488 R CB -0.388 29.848 30.300 -0.107 0.000 0.858 488 R HN 0.295 nan 8.270 nan 0.000 0.435 489 V N 1.946 121.822 119.914 -0.064 0.000 2.343 489 V HA -0.258 3.887 4.120 0.041 0.000 0.247 489 V C 1.695 177.784 176.094 -0.008 0.000 1.051 489 V CA 1.745 64.024 62.300 -0.035 0.000 1.036 489 V CB -0.527 31.262 31.823 -0.056 0.000 0.654 489 V HN 0.347 nan 8.190 nan 0.000 0.451 490 N N 0.137 118.824 118.700 -0.020 0.000 2.188 490 N HA -0.112 4.653 4.740 0.041 0.000 0.184 490 N C 1.683 177.205 175.510 0.019 0.000 1.018 490 N CA 1.170 54.220 53.050 -0.000 0.000 0.858 490 N CB -0.488 37.989 38.487 -0.016 0.000 0.989 490 N HN 0.431 nan 8.380 nan 0.000 0.426 491 L N 1.055 122.283 121.223 0.008 0.000 2.079 491 L HA -0.036 4.328 4.340 0.041 0.000 0.210 491 L C 2.004 178.903 176.870 0.047 0.000 1.081 491 L CA 1.562 56.414 54.840 0.019 0.000 0.752 491 L CB -0.802 41.261 42.059 0.006 0.000 0.896 491 L HN 0.114 nan 8.230 nan 0.000 0.433 492 A N -0.770 122.089 122.820 0.065 0.000 1.930 492 A HA -0.142 4.203 4.320 0.041 0.000 0.217 492 A C 2.182 179.890 177.584 0.206 0.000 1.175 492 A CA 1.808 53.917 52.037 0.120 0.000 0.627 492 A CB -0.462 18.607 19.000 0.115 0.000 0.815 492 A HN 0.481 nan 8.150 nan 0.000 0.443 493 M N 0.369 120.087 119.600 0.196 0.000 2.065 493 M HA -0.150 4.355 4.480 0.041 0.000 0.259 493 M C 1.764 178.190 176.300 0.210 0.000 1.069 493 M CA 1.389 56.877 55.300 0.313 0.000 1.110 493 M CB -1.710 30.989 32.600 0.164 0.000 1.328 493 M HN 0.407 nan 8.290 nan 0.000 0.405 494 N N 0.614 119.365 118.700 0.086 0.000 2.061 494 N HA -0.126 4.639 4.740 0.041 0.000 0.193 494 N C 1.946 177.422 175.510 -0.057 0.000 1.030 494 N CA 1.270 54.329 53.050 0.015 0.000 0.856 494 N CB -0.747 37.746 38.487 0.011 0.000 1.023 494 N HN 0.175 nan 8.380 nan 0.000 0.424 495 V N 1.060 120.945 119.914 -0.049 0.000 2.255 495 V HA -0.188 3.957 4.120 0.041 0.000 0.247 495 V C 2.490 178.367 176.094 -0.362 0.000 1.051 495 V CA 2.150 64.376 62.300 -0.123 0.000 1.018 495 V CB -1.298 30.517 31.823 -0.013 0.000 0.641 495 V HN 0.373 nan 8.190 nan 0.000 0.445 496 G N -0.497 108.052 108.800 -0.419 0.000 2.459 496 G HA2 -0.285 3.700 3.960 0.041 0.000 0.217 496 G HA3 -0.285 3.700 3.960 0.041 0.000 0.217 496 G C 1.664 175.905 174.900 -1.097 0.000 1.183 496 G CA 1.025 45.492 45.100 -1.055 0.000 0.776 496 G HN 0.466 nan 8.290 nan 0.000 0.552 497 K N 0.471 120.476 120.400 -0.658 0.000 2.147 497 K HA 0.044 4.389 4.320 0.041 0.000 0.205 497 K C 2.912 179.339 176.600 -0.288 0.000 1.049 497 K CA 0.913 56.994 56.287 -0.343 0.000 0.936 497 K CB -0.167 32.287 32.500 -0.077 0.000 0.722 497 K HN 0.296 nan 8.250 nan 0.000 0.446 498 A N 1.111 123.760 122.820 -0.286 0.000 1.929 498 A HA -0.087 4.258 4.320 0.041 0.000 0.216 498 A C 1.772 179.178 177.584 -0.298 0.000 1.176 498 A CA 1.025 52.928 52.037 -0.223 0.000 0.628 498 A CB -0.126 18.778 19.000 -0.160 0.000 0.816 498 A HN 0.150 nan 8.150 nan 0.000 0.444 499 R N -0.967 119.221 120.500 -0.519 0.000 2.391 499 R HA 0.227 4.591 4.340 0.041 0.000 0.249 499 R C 0.967 176.880 176.300 -0.646 0.000 0.957 499 R CA 0.441 56.148 56.100 -0.656 0.000 1.093 499 R CB -0.242 29.451 30.300 -1.012 0.000 1.156 499 R HN 0.609 nan 8.270 nan 0.000 0.526 500 G N 0.859 109.403 108.800 -0.427 0.000 2.258 500 G HA2 -0.282 3.703 3.960 0.041 0.000 0.274 500 G HA3 -0.282 3.703 3.960 0.041 0.000 0.274 500 G C 0.428 175.303 174.900 -0.041 0.000 1.021 500 G CA 0.273 45.253 45.100 -0.199 0.000 0.798 500 G HN 0.304 nan 8.290 nan 0.000 0.507 501 F N -0.424 119.322 119.950 -0.341 0.000 2.187 501 F HA 0.329 4.882 4.527 0.043 0.000 0.295 501 F C 1.472 177.207 175.800 -0.107 0.000 1.091 501 F CA 0.610 58.447 58.000 -0.272 0.000 1.308 501 F CB -0.673 38.096 39.000 -0.385 0.000 1.030 501 F HN 0.399 nan 8.300 nan 0.000 0.487 502 F N -0.826 119.203 119.950 0.132 0.000 2.662 502 F HA 0.648 5.200 4.527 0.041 0.000 0.312 502 F C -0.762 175.053 175.800 0.024 0.000 1.113 502 F CA -2.213 55.827 58.000 0.066 0.000 0.951 502 F CB 1.241 40.278 39.000 0.061 0.000 1.344 502 F HN -0.153 nan 8.300 nan 0.000 0.462 503 K N -0.013 120.579 120.400 0.320 0.000 2.439 503 K HA 0.465 4.810 4.320 0.041 0.000 0.260 503 K C -1.249 175.448 176.600 0.163 0.000 1.032 503 K CA -1.359 55.047 56.287 0.198 0.000 0.882 503 K CB 1.943 34.502 32.500 0.097 0.000 1.420 503 K HN 0.757 nan 8.250 nan 0.000 0.455 504 K N 0.072 120.535 120.400 0.105 0.000 2.511 504 K HA -0.086 4.258 4.320 0.041 0.000 0.277 504 K C 0.616 177.241 176.600 0.042 0.000 1.025 504 K CA 2.006 58.330 56.287 0.061 0.000 1.112 504 K CB -0.539 31.987 32.500 0.043 0.000 0.859 504 K HN 0.876 nan 8.250 nan 0.000 0.485 505 G N 3.077 111.887 108.800 0.018 0.000 2.217 505 G HA2 -0.216 3.769 3.960 0.041 0.000 0.246 505 G HA3 -0.216 3.769 3.960 0.041 0.000 0.246 505 G C -0.191 174.709 174.900 -0.001 0.000 0.990 505 G CA 0.187 45.291 45.100 0.006 0.000 0.627 505 G HN 0.720 nan 8.290 nan 0.000 0.522 506 D N -0.037 120.367 120.400 0.006 0.000 2.361 506 D HA 0.488 5.153 4.640 0.041 0.000 0.239 506 D C 0.554 176.805 176.300 -0.083 0.000 1.200 506 D CA 0.082 54.076 54.000 -0.011 0.000 0.915 506 D CB 1.544 42.370 40.800 0.043 0.000 1.170 506 D HN 0.181 nan 8.370 nan 0.000 0.444 507 V N 0.969 120.832 119.914 -0.086 0.000 2.513 507 V HA 0.446 4.590 4.120 0.041 0.000 0.299 507 V C -0.055 175.942 176.094 -0.162 0.000 1.035 507 V CA -0.664 61.571 62.300 -0.108 0.000 0.889 507 V CB 1.763 33.550 31.823 -0.061 0.000 0.988 507 V HN 0.398 nan 8.190 nan 0.000 0.440 508 V N 3.293 123.091 119.914 -0.193 0.000 2.735 508 V HA 0.649 4.794 4.120 0.041 0.000 0.310 508 V C -0.571 175.452 176.094 -0.119 0.000 1.061 508 V CA -0.938 61.243 62.300 -0.199 0.000 0.913 508 V CB 2.061 33.680 31.823 -0.339 0.000 1.005 508 V HN 0.546 nan 8.190 nan 0.000 0.428 509 I N 3.731 124.249 120.570 -0.087 0.000 2.441 509 I HA 0.433 4.628 4.170 0.041 0.000 0.287 509 I C -0.035 176.057 176.117 -0.043 0.000 1.049 509 I CA -0.181 61.084 61.300 -0.059 0.000 1.381 509 I CB 1.335 39.300 38.000 -0.058 0.000 1.409 509 I HN 0.512 nan 8.210 nan 0.000 0.523 510 V N 7.953 127.851 119.914 -0.027 0.000 2.443 510 V HA 0.393 4.538 4.120 0.041 0.000 0.293 510 V C -0.058 176.043 176.094 0.013 0.000 1.021 510 V CA -0.585 61.708 62.300 -0.012 0.000 0.848 510 V CB 2.083 33.891 31.823 -0.025 0.000 0.998 510 V HN 0.439 nan 8.190 nan 0.000 0.424 511 L N 5.656 126.893 121.223 0.024 0.000 2.272 511 L HA 0.784 5.149 4.340 0.041 0.000 0.289 511 L C 0.332 177.231 176.870 0.048 0.000 1.032 511 L CA 0.073 54.941 54.840 0.047 0.000 0.810 511 L CB 1.898 43.991 42.059 0.057 0.000 1.205 511 L HN 0.876 nan 8.230 nan 0.000 0.422 512 T N -0.348 114.247 114.554 0.068 0.000 2.864 512 T HA 0.669 5.044 4.350 0.041 0.000 0.299 512 T C -0.160 174.616 174.700 0.127 0.000 1.166 512 T CA -0.747 61.396 62.100 0.071 0.000 1.007 512 T CB 1.773 70.660 68.868 0.031 0.000 1.219 512 T HN 0.529 nan 8.240 nan 0.000 0.506 513 G N -0.308 108.608 108.800 0.194 0.000 2.377 513 G HA2 0.402 4.387 3.960 0.041 0.000 0.299 513 G HA3 0.402 4.387 3.960 0.041 0.000 0.299 513 G C 0.326 175.452 174.900 0.378 0.000 1.150 513 G CA -0.868 44.369 45.100 0.229 0.000 0.847 513 G HN 0.806 nan 8.290 nan 0.000 0.501 514 W N 2.615 123.964 121.300 0.082 0.000 2.381 514 W HA 0.088 4.772 4.660 0.041 0.000 0.301 514 W C 0.551 177.156 176.519 0.143 0.000 1.205 514 W CA 0.619 58.032 57.345 0.113 0.000 1.285 514 W CB 0.334 29.795 29.460 0.001 0.000 1.133 514 W HN 0.380 nan 8.180 nan 0.000 0.521 515 R N -1.331 119.151 120.500 -0.031 0.000 2.837 515 R HA 0.190 4.554 4.340 0.041 0.000 0.271 515 R C -1.538 174.107 176.300 -1.091 0.000 0.993 515 R CA -1.614 54.159 56.100 -0.544 0.000 0.931 515 R CB 1.506 31.672 30.300 -0.223 0.000 1.206 515 R HN -0.343 nan 8.270 nan 0.000 0.474 516 P HA -0.167 nan 4.420 nan 0.000 0.217 516 P C 0.884 177.719 177.300 -0.776 0.000 1.151 516 P CA 1.416 63.455 63.100 -1.769 0.000 0.849 516 P CB 0.178 31.298 31.700 -0.968 0.000 0.787 517 G N -1.466 107.048 108.800 -0.477 0.000 2.920 517 G HA2 -0.021 3.964 3.960 0.041 0.000 0.208 517 G HA3 -0.021 3.964 3.960 0.041 0.000 0.208 517 G C 0.219 175.012 174.900 -0.178 0.000 1.159 517 G CA -0.042 44.908 45.100 -0.249 0.000 0.784 517 G HN 0.199 nan 8.290 nan 0.000 0.535 518 S N 0.326 115.894 115.700 -0.220 0.000 2.516 518 S HA 0.357 4.852 4.470 0.041 0.000 0.282 518 S C 1.299 175.834 174.600 -0.108 0.000 1.286 518 S CA 0.049 58.134 58.200 -0.193 0.000 1.066 518 S CB 1.554 64.595 63.200 -0.266 0.000 0.884 518 S HN 0.283 nan 8.310 nan 0.000 0.491 519 G N 2.391 111.188 108.800 -0.005 0.000 3.424 519 G HA2 0.460 4.445 3.960 0.041 0.000 0.263 519 G HA3 0.460 4.445 3.960 0.041 0.000 0.263 519 G C -0.129 174.970 174.900 0.332 0.000 1.310 519 G CA -0.364 44.823 45.100 0.144 0.000 1.089 519 G HN 0.694 nan 8.290 nan 0.000 0.534 520 F N -3.333 116.639 119.950 0.036 0.000 2.985 520 F HA 0.329 4.882 4.527 0.042 0.000 0.332 520 F C -0.363 175.478 175.800 0.069 0.000 1.126 520 F CA -1.141 56.884 58.000 0.042 0.000 0.884 520 F CB 0.231 39.250 39.000 0.033 0.000 1.361 520 F HN 0.012 nan 8.300 nan 0.000 0.450 521 T N 0.758 115.417 114.554 0.176 0.000 2.978 521 T HA 0.205 4.579 4.350 0.041 0.000 0.278 521 T C 0.381 175.141 174.700 0.101 0.000 0.945 521 T CA -0.037 62.119 62.100 0.092 0.000 1.070 521 T CB -0.493 68.454 68.868 0.132 0.000 0.948 521 T HN 0.770 nan 8.240 nan 0.000 0.617 522 N N 1.519 120.124 118.700 -0.158 0.000 2.398 522 N HA 0.020 4.784 4.740 0.041 0.000 0.188 522 N C -0.267 175.275 175.510 0.053 0.000 1.122 522 N CA -0.346 52.657 53.050 -0.080 0.000 0.866 522 N CB 0.157 38.432 38.487 -0.353 0.000 0.970 522 N HN 0.492 nan 8.380 nan 0.000 0.462 523 T N 1.144 115.760 114.554 0.103 0.000 2.807 523 T HA 0.440 4.815 4.350 0.041 0.000 0.279 523 T C -0.645 174.121 174.700 0.110 0.000 0.993 523 T CA -0.649 61.539 62.100 0.147 0.000 0.970 523 T CB 1.891 70.938 68.868 0.298 0.000 0.950 523 T HN 0.126 nan 8.240 nan 0.000 0.441 524 M N 3.546 123.196 119.600 0.082 0.000 2.327 524 M HA 0.577 5.082 4.480 0.041 0.000 0.298 524 M C -1.492 174.833 176.300 0.042 0.000 1.065 524 M CA -0.592 54.740 55.300 0.053 0.000 0.916 524 M CB 1.645 34.266 32.600 0.035 0.000 1.630 524 M HN 0.544 nan 8.290 nan 0.000 0.442 525 R N 2.419 122.936 120.500 0.027 0.000 2.744 525 R HA 0.606 4.971 4.340 0.041 0.000 0.279 525 R C -1.470 174.822 176.300 -0.013 0.000 0.977 525 R CA -0.905 55.204 56.100 0.014 0.000 0.906 525 R CB 2.852 33.166 30.300 0.024 0.000 1.197 525 R HN 0.557 nan 8.270 nan 0.000 0.463 526 V N 4.251 124.154 119.914 -0.018 0.000 2.353 526 V HA 0.295 4.439 4.120 0.041 0.000 0.264 526 V C -0.732 175.339 176.094 -0.039 0.000 1.049 526 V CA -0.215 62.064 62.300 -0.035 0.000 0.896 526 V CB 1.160 32.964 31.823 -0.031 0.000 1.025 526 V HN 0.421 nan 8.190 nan 0.000 0.475 527 V N 9.701 129.580 119.914 -0.059 0.000 2.555 527 V HA 0.532 4.677 4.120 0.041 0.000 0.302 527 V C -2.196 173.844 176.094 -0.090 0.000 1.038 527 V CA -1.835 60.427 62.300 -0.064 0.000 0.887 527 V CB 2.129 33.912 31.823 -0.067 0.000 0.991 527 V HN 0.738 nan 8.190 nan 0.000 0.434 528 P HA 0.175 nan 4.420 nan 0.000 0.275 528 P C -0.529 176.712 177.300 -0.098 0.000 1.227 528 P CA -0.073 62.981 63.100 -0.077 0.000 0.781 528 P CB 1.135 32.808 31.700 -0.045 0.000 0.906 529 V N 5.865 125.707 119.914 -0.120 0.000 2.455 529 V HA 0.137 4.281 4.120 0.041 0.000 0.273 529 V C -1.647 174.434 176.094 -0.023 0.000 1.045 529 V CA -1.183 61.052 62.300 -0.108 0.000 0.976 529 V CB 0.227 31.967 31.823 -0.138 0.000 0.993 529 V HN 0.591 nan 8.190 nan 0.000 0.475 530 P HA 0.000 nan 4.420 nan 0.000 0.216 530 P CA 0.000 63.105 63.100 0.008 0.000 0.800 530 P CB 0.000 31.703 31.700 0.005 0.000 0.726