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 3nl5_1_C DATA FIRST_RESID 2 DATA SEQUENCE KFSKEQFDYS LYLVTDSGMI PEGKTLYGQV EAGLQXXXTL VQIREKDADT DATA SEQUENCE KFFIEEALQI KELCHAHNVP LIINDRIDVA MAIGADGIHV GQDDMPIPMI DATA SEQUENCE RKLVGPDMVI GWSVGFPEEV DELSKMGPDM VDYIGVGTLF PXXXXXXXXX DATA SEQUENCE XXMGTAGAIR VLDALERNNA HWCRTVGIGG LHPDNIERVL YQCVSSNGKR DATA SEQUENCE SLDGICVVSD IIASLDAAKS TKILRGLIDK TDYKFVNIGL STKNSLTTTD DATA SEQUENCE EIQSIISNTL KARPLVQHIT NKVHQNFGAN VTLALGSSPI MSEIQSEVND DATA SEQUENCE LAAIPHATLL LNTGSVAPPE MLKAAIRAYN DVKRPIVFDP VGYSATETRL DATA SEQUENCE LLNNKLLTFG QFSCIKGNSS EILGLAELXX XXXXXXXXXX XXSNELLIQA DATA SEQUENCE TKIVAFKYKT VAVCTGEFDF IADGTIEGKY SLSKGTNGTS VEDIPCVAVE DATA SEQUENCE AGPIEIMGDI TASGCSLGST IACMIGGQPS EGNLFHAVVA GVMLYKAAGK DATA SEQUENCE IASEKCNGSG SFQVELIDAL YRLTRENTPV TWAPKLTHT 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.459 176.600 -0.236 0.000 0.988 2 K CA 0.000 56.245 56.287 -0.070 0.000 0.838 2 K CB 0.000 32.501 32.500 0.002 0.000 1.064 3 F N 0.855 120.800 119.950 -0.008 0.000 2.507 3 F HA 0.433 4.966 4.527 0.009 0.000 0.327 3 F C 0.552 176.419 175.800 0.112 0.000 1.068 3 F CA -0.527 57.462 58.000 -0.019 0.000 0.965 3 F CB 2.099 40.997 39.000 -0.171 0.000 1.192 3 F HN 0.441 nan 8.300 nan 0.000 0.476 4 S N 1.043 116.912 115.700 0.283 0.000 2.499 4 S HA 0.299 4.775 4.470 0.010 0.000 0.279 4 S C 0.656 175.489 174.600 0.388 0.000 1.219 4 S CA -0.845 57.508 58.200 0.254 0.000 1.062 4 S CB 1.426 64.713 63.200 0.145 0.000 0.978 4 S HN 0.733 nan 8.310 nan 0.000 0.489 5 K N 1.706 122.297 120.400 0.318 0.000 2.163 5 K HA -0.223 4.103 4.320 0.010 0.000 0.210 5 K C 0.761 177.567 176.600 0.343 0.000 1.048 5 K CA 2.236 58.683 56.287 0.266 0.000 0.928 5 K CB -0.305 32.266 32.500 0.118 0.000 0.716 5 K HN 0.691 nan 8.250 nan 0.000 0.459 6 E N 0.565 120.920 120.200 0.258 0.000 2.335 6 E HA -0.031 4.325 4.350 0.010 0.000 0.191 6 E C 0.365 177.093 176.600 0.214 0.000 1.150 6 E CA 0.350 56.878 56.400 0.214 0.000 1.001 6 E CB 0.208 29.997 29.700 0.148 0.000 1.127 6 E HN 0.293 nan 8.360 nan 0.000 0.462 7 Q N -0.803 119.169 119.800 0.287 0.000 2.103 7 Q HA 0.187 4.532 4.340 0.010 0.000 0.219 7 Q C -0.578 175.458 176.000 0.060 0.000 0.784 7 Q CA -0.239 55.672 55.803 0.180 0.000 1.014 7 Q CB 0.669 29.527 28.738 0.201 0.000 1.183 7 Q HN 0.215 nan 8.270 nan 0.000 0.469 8 F N 2.338 122.276 119.950 -0.020 0.000 2.413 8 F HA 0.125 4.658 4.527 0.009 0.000 0.359 8 F C 0.403 176.089 175.800 -0.190 0.000 1.122 8 F CA -0.983 56.866 58.000 -0.251 0.000 1.160 8 F CB 0.653 39.413 39.000 -0.400 0.000 1.146 8 F HN -0.077 nan 8.300 nan 0.000 0.514 9 D N 3.488 123.807 120.400 -0.135 0.000 2.456 9 D HA 0.061 4.707 4.640 0.010 0.000 0.219 9 D C 0.117 176.355 176.300 -0.104 0.000 1.126 9 D CA -0.281 53.702 54.000 -0.028 0.000 0.890 9 D CB 0.162 40.945 40.800 -0.028 0.000 1.025 9 D HN 0.380 nan 8.370 nan 0.000 0.511 10 Y N 2.274 122.510 120.300 -0.107 0.000 2.632 10 Y HA -0.014 4.542 4.550 0.010 0.000 0.301 10 Y C 2.346 178.209 175.900 -0.062 0.000 1.172 10 Y CA -0.053 57.943 58.100 -0.174 0.000 1.328 10 Y CB -0.390 37.943 38.460 -0.213 0.000 1.016 10 Y HN 0.312 nan 8.280 nan 0.000 0.529 11 S N 0.453 116.210 115.700 0.096 0.000 2.433 11 S HA -0.238 4.238 4.470 0.010 0.000 0.270 11 S C 0.592 175.247 174.600 0.090 0.000 1.068 11 S CA 1.314 59.563 58.200 0.083 0.000 1.375 11 S CB -0.663 62.568 63.200 0.052 0.000 1.255 11 S HN 0.240 nan 8.310 nan 0.000 0.442 12 L N 1.274 122.539 121.223 0.070 0.000 2.276 12 L HA 0.453 4.799 4.340 0.010 0.000 0.286 12 L C -1.360 175.588 176.870 0.130 0.000 1.024 12 L CA -0.549 54.340 54.840 0.082 0.000 0.826 12 L CB 0.721 42.806 42.059 0.045 0.000 1.211 12 L HN 0.384 nan 8.230 nan 0.000 0.422 13 Y N 6.600 126.895 120.300 -0.009 0.000 2.464 13 Y HA 0.427 4.983 4.550 0.010 0.000 0.326 13 Y C -1.142 174.751 175.900 -0.011 0.000 0.969 13 Y CA -1.822 56.267 58.100 -0.019 0.000 1.270 13 Y CB 1.315 39.782 38.460 0.011 0.000 1.103 13 Y HN 0.542 nan 8.280 nan 0.000 0.491 14 L N 7.573 128.869 121.223 0.122 0.000 2.283 14 L HA 0.490 4.836 4.340 0.010 0.000 0.287 14 L C -1.252 175.542 176.870 -0.127 0.000 1.073 14 L CA -0.248 54.570 54.840 -0.036 0.000 0.822 14 L CB 0.578 42.631 42.059 -0.010 0.000 1.186 14 L HN 0.338 nan 8.230 nan 0.000 0.436 15 V N 5.092 124.877 119.914 -0.214 0.000 2.370 15 V HA 0.458 4.584 4.120 0.010 0.000 0.283 15 V C 0.671 176.702 176.094 -0.106 0.000 1.023 15 V CA -0.243 61.939 62.300 -0.197 0.000 0.857 15 V CB 1.554 33.210 31.823 -0.278 0.000 0.985 15 V HN 0.941 nan 8.190 nan 0.000 0.443 16 T N 0.739 115.253 114.554 -0.067 0.000 2.788 16 T HA 0.487 4.843 4.350 0.010 0.000 0.280 16 T C -0.441 174.227 174.700 -0.053 0.000 0.984 16 T CA -0.503 61.568 62.100 -0.049 0.000 0.972 16 T CB 1.542 70.390 68.868 -0.033 0.000 1.039 16 T HN 0.627 nan 8.240 nan 0.000 0.530 17 D N -0.637 119.737 120.400 -0.044 0.000 2.491 17 D HA 0.189 4.835 4.640 0.010 0.000 0.232 17 D C 0.872 177.152 176.300 -0.032 0.000 1.334 17 D CA -0.379 53.594 54.000 -0.045 0.000 0.909 17 D CB 1.047 41.824 40.800 -0.039 0.000 1.513 17 D HN 0.458 nan 8.370 nan 0.000 0.514 18 S N 1.445 117.126 115.700 -0.032 0.000 2.378 18 S HA -0.153 4.323 4.470 0.010 0.000 0.229 18 S C 1.609 176.202 174.600 -0.011 0.000 1.052 18 S CA 1.818 60.014 58.200 -0.008 0.000 1.084 18 S CB -0.210 62.999 63.200 0.014 0.000 0.950 18 S HN 0.583 nan 8.310 nan 0.000 0.440 19 G N 1.543 110.328 108.800 -0.024 0.000 2.990 19 G HA2 0.305 4.271 3.960 0.010 0.000 0.256 19 G HA3 0.305 4.271 3.960 0.010 0.000 0.256 19 G C 0.243 175.131 174.900 -0.019 0.000 0.798 19 G CA 0.423 45.508 45.100 -0.025 0.000 2.012 19 G HN 0.723 nan 8.290 nan 0.000 0.598 20 M N -1.139 118.453 119.600 -0.013 0.000 0.000 20 M HA 0.291 4.776 4.480 0.010 0.000 0.000 20 M C -1.200 175.097 176.300 -0.004 0.000 0.000 20 M CA -0.351 54.943 55.300 -0.009 0.000 0.000 20 M CB -0.442 32.154 32.600 -0.008 0.000 0.000 20 M HN -0.079 nan 8.290 nan 0.000 0.000 21 I N 4.454 125.023 120.570 -0.002 0.000 2.395 21 I HA 0.388 4.564 4.170 0.010 0.000 0.289 21 I C -1.617 174.502 176.117 0.003 0.000 1.023 21 I CA -1.588 59.715 61.300 0.004 0.000 1.350 21 I CB 1.116 39.124 38.000 0.012 0.000 1.409 21 I HN 0.224 nan 8.210 nan 0.000 0.507 22 P HA 0.071 nan 4.420 nan 0.000 0.267 22 P C -0.581 176.722 177.300 0.006 0.000 1.205 22 P CA -0.128 62.974 63.100 0.003 0.000 0.765 22 P CB 0.420 32.123 31.700 0.005 0.000 0.828 23 E N 1.234 121.435 120.200 0.002 0.000 2.436 23 E HA 0.221 4.577 4.350 0.010 0.000 0.262 23 E C 1.074 177.678 176.600 0.007 0.000 1.063 23 E CA 0.454 56.856 56.400 0.003 0.000 0.944 23 E CB -0.206 29.494 29.700 -0.001 0.000 0.950 23 E HN 0.756 nan 8.360 nan 0.000 0.444 24 G N 1.956 110.762 108.800 0.009 0.000 2.295 24 G HA2 -0.325 3.641 3.960 0.010 0.000 0.287 24 G HA3 -0.325 3.641 3.960 0.010 0.000 0.287 24 G C -0.281 174.630 174.900 0.018 0.000 1.055 24 G CA 0.695 45.802 45.100 0.012 0.000 0.922 24 G HN 0.366 nan 8.290 nan 0.000 0.503 25 K N -0.733 119.680 120.400 0.022 0.000 2.572 25 K HA 0.515 4.841 4.320 0.010 0.000 0.263 25 K C 0.337 176.961 176.600 0.041 0.000 0.932 25 K CA -0.304 56.001 56.287 0.031 0.000 0.838 25 K CB 1.510 34.025 32.500 0.024 0.000 1.366 25 K HN 0.240 nan 8.250 nan 0.000 0.425 26 T N -0.708 113.882 114.554 0.061 0.000 2.888 26 T HA 0.326 4.682 4.350 0.010 0.000 0.283 26 T C 0.842 175.589 174.700 0.079 0.000 1.013 26 T CA -0.808 61.340 62.100 0.080 0.000 0.938 26 T CB 0.734 69.671 68.868 0.114 0.000 1.298 26 T HN 0.413 nan 8.240 nan 0.000 0.580 27 L N -0.887 120.396 121.223 0.099 0.000 2.121 27 L HA 0.221 4.567 4.340 0.010 0.000 0.200 27 L C 2.430 179.350 176.870 0.084 0.000 1.077 27 L CA 0.938 55.822 54.840 0.074 0.000 0.766 27 L CB -1.037 41.065 42.059 0.072 0.000 0.931 27 L HN 0.772 nan 8.230 nan 0.000 0.452 28 Y N 0.450 120.749 120.300 -0.001 0.000 2.133 28 Y HA -0.357 4.199 4.550 0.010 0.000 0.279 28 Y C 2.137 178.032 175.900 -0.009 0.000 1.209 28 Y CA 2.184 60.279 58.100 -0.007 0.000 1.152 28 Y CB -0.686 37.774 38.460 0.000 0.000 0.961 28 Y HN 0.286 nan 8.280 nan 0.000 0.512 29 G N -0.779 108.142 108.800 0.202 0.000 2.422 29 G HA2 -0.229 3.737 3.960 0.010 0.000 0.218 29 G HA3 -0.229 3.737 3.960 0.010 0.000 0.218 29 G C 1.410 176.317 174.900 0.013 0.000 1.146 29 G CA 0.996 46.170 45.100 0.123 0.000 0.769 29 G HN 0.374 nan 8.290 nan 0.000 0.547 30 Q N 0.071 119.868 119.800 -0.004 0.000 2.061 30 Q HA 0.070 4.416 4.340 0.010 0.000 0.195 30 Q C 2.882 178.835 176.000 -0.078 0.000 0.967 30 Q CA 0.631 56.416 55.803 -0.030 0.000 0.829 30 Q CB -0.855 27.874 28.738 -0.014 0.000 0.900 30 Q HN 0.352 nan 8.270 nan 0.000 0.450 31 V N 1.981 121.833 119.914 -0.103 0.000 3.186 31 V HA -0.179 3.946 4.120 0.010 0.000 0.270 31 V C 2.069 178.009 176.094 -0.257 0.000 1.149 31 V CA 1.485 63.693 62.300 -0.154 0.000 1.160 31 V CB -0.464 31.274 31.823 -0.141 0.000 0.758 31 V HN 0.374 nan 8.190 nan 0.000 0.516 32 E N 0.214 120.243 120.200 -0.285 0.000 2.166 32 E HA -0.013 4.343 4.350 0.010 0.000 0.192 32 E C 2.299 178.770 176.600 -0.216 0.000 0.967 32 E CA 0.862 57.054 56.400 -0.346 0.000 0.840 32 E CB 0.072 29.551 29.700 -0.368 0.000 0.795 32 E HN 0.543 nan 8.360 nan 0.000 0.470 33 A N 0.727 123.471 122.820 -0.126 0.000 1.969 33 A HA -0.061 4.264 4.320 0.010 0.000 0.218 33 A C 2.259 179.793 177.584 -0.082 0.000 1.169 33 A CA 1.586 53.580 52.037 -0.073 0.000 0.635 33 A CB -0.776 18.201 19.000 -0.039 0.000 0.810 33 A HN 0.369 nan 8.150 nan 0.000 0.445 34 G N -0.641 108.095 108.800 -0.107 0.000 2.511 34 G HA2 0.091 4.057 3.960 0.010 0.000 0.217 34 G HA3 0.091 4.057 3.960 0.010 0.000 0.217 34 G C 1.084 175.917 174.900 -0.113 0.000 1.133 34 G CA 0.479 45.525 45.100 -0.089 0.000 0.792 34 G HN 0.438 nan 8.290 nan 0.000 0.539 35 L N 0.333 121.430 121.223 -0.209 0.000 2.737 35 L HA 0.317 4.663 4.340 0.010 0.000 0.236 35 L C 0.686 177.463 176.870 -0.155 0.000 1.219 35 L CA -0.040 54.640 54.840 -0.267 0.000 1.021 35 L CB -0.221 41.483 42.059 -0.592 0.000 1.291 35 L HN 0.245 nan 8.230 nan 0.000 0.470 41 L N 0.970 122.093 121.223 -0.166 0.000 4.111 41 L HA 0.232 4.577 4.340 0.010 0.000 0.508 41 L C -0.509 176.397 176.870 0.059 0.000 1.131 41 L CA 0.793 55.505 54.840 -0.213 0.000 0.614 41 L CB -0.265 41.469 42.059 -0.542 0.000 0.820 41 L HN 0.684 nan 8.230 nan 0.000 0.967 42 V N 5.752 125.709 119.914 0.072 0.000 2.604 42 V HA 0.504 4.630 4.120 0.010 0.000 0.305 42 V C -0.195 176.041 176.094 0.237 0.000 1.043 42 V CA -0.522 61.873 62.300 0.159 0.000 0.888 42 V CB 1.686 33.530 31.823 0.036 0.000 0.995 42 V HN 0.895 nan 8.190 nan 0.000 0.429 43 Q N 3.955 123.888 119.800 0.221 0.000 2.377 43 Q HA 0.698 5.044 4.340 0.010 0.000 0.271 43 Q C -1.771 174.283 176.000 0.091 0.000 1.077 43 Q CA -0.743 55.177 55.803 0.194 0.000 0.820 43 Q CB 2.428 31.290 28.738 0.206 0.000 1.347 43 Q HN 0.739 nan 8.270 nan 0.000 0.444 44 I N 2.557 123.202 120.570 0.124 0.000 2.382 44 I HA 0.489 4.665 4.170 0.010 0.000 0.285 44 I C -0.298 175.894 176.117 0.125 0.000 1.007 44 I CA -0.259 61.108 61.300 0.113 0.000 1.142 44 I CB 1.548 39.657 38.000 0.181 0.000 1.289 44 I HN 0.777 nan 8.210 nan 0.000 0.453 45 R N 4.604 125.112 120.500 0.014 0.000 2.310 45 R HA 0.663 5.008 4.340 0.010 0.000 0.324 45 R C -0.549 175.662 176.300 -0.148 0.000 0.955 45 R CA -0.627 55.464 56.100 -0.016 0.000 0.830 45 R CB 0.993 31.269 30.300 -0.039 0.000 1.154 45 R HN 0.550 nan 8.270 nan 0.000 0.458 46 E N 2.524 122.570 120.200 -0.256 0.000 3.132 46 E HA 0.191 4.547 4.350 0.010 0.000 0.241 46 E C 0.074 176.570 176.600 -0.173 0.000 1.196 46 E CA -0.245 55.895 56.400 -0.434 0.000 0.869 46 E CB 1.359 30.346 29.700 -1.189 0.000 1.387 46 E HN 0.734 nan 8.360 nan 0.000 0.393 47 K N 1.217 121.581 120.400 -0.061 0.000 2.589 47 K HA 0.033 4.359 4.320 0.010 0.000 0.204 47 K C 0.500 177.103 176.600 0.005 0.000 1.029 47 K CA 0.664 56.955 56.287 0.008 0.000 1.177 47 K CB -0.007 32.494 32.500 0.001 0.000 0.902 47 K HN 0.105 nan 8.250 nan 0.000 0.501 48 D N -1.709 118.681 120.400 -0.018 0.000 2.259 48 D HA 0.209 4.855 4.640 0.010 0.000 0.301 48 D C 1.099 177.404 176.300 0.008 0.000 1.149 48 D CA 0.663 54.659 54.000 -0.007 0.000 1.012 48 D CB -0.316 40.467 40.800 -0.028 0.000 1.797 48 D HN 0.415 nan 8.370 nan 0.000 0.513 49 A N 1.646 124.460 122.820 -0.010 0.000 2.325 49 A HA 0.056 4.382 4.320 0.010 0.000 0.283 49 A C 0.018 177.674 177.584 0.120 0.000 1.211 49 A CA 0.408 52.470 52.037 0.041 0.000 0.850 49 A CB -0.110 18.951 19.000 0.102 0.000 1.122 49 A HN 0.006 nan 8.150 nan 0.000 0.515 50 D N 0.104 120.605 120.400 0.169 0.000 2.277 50 D HA 0.248 4.893 4.640 0.010 0.000 0.249 50 D C 1.243 177.708 176.300 0.275 0.000 1.134 50 D CA 0.689 54.799 54.000 0.184 0.000 0.863 50 D CB 0.957 41.851 40.800 0.157 0.000 1.143 50 D HN 0.584 nan 8.370 nan 0.000 0.458 51 T N 0.326 115.019 114.554 0.230 0.000 2.918 51 T HA -0.242 4.114 4.350 0.010 0.000 0.271 51 T C 1.496 176.304 174.700 0.181 0.000 1.104 51 T CA 1.084 63.320 62.100 0.226 0.000 1.114 51 T CB 0.255 69.187 68.868 0.106 0.000 0.855 51 T HN 0.363 nan 8.240 nan 0.000 0.518 52 K N -0.193 120.313 120.400 0.178 0.000 2.168 52 K HA 0.166 4.491 4.320 0.010 0.000 0.201 52 K C 1.901 178.607 176.600 0.177 0.000 1.049 52 K CA 0.150 56.520 56.287 0.138 0.000 0.974 52 K CB -0.174 32.392 32.500 0.109 0.000 0.792 52 K HN 0.309 nan 8.250 nan 0.000 0.463 53 F N 1.069 121.080 119.950 0.101 0.000 2.186 53 F HA -0.162 4.371 4.527 0.010 0.000 0.299 53 F C 1.760 177.653 175.800 0.155 0.000 1.090 53 F CA 0.946 59.000 58.000 0.090 0.000 1.307 53 F CB -0.293 38.737 39.000 0.051 0.000 1.019 53 F HN 0.016 nan 8.300 nan 0.000 0.489 54 F N 1.522 121.481 119.950 0.014 0.000 2.043 54 F HA -0.283 4.250 4.527 0.010 0.000 0.297 54 F C 2.184 177.884 175.800 -0.167 0.000 1.118 54 F CA 1.940 59.893 58.000 -0.079 0.000 1.202 54 F CB -1.120 37.898 39.000 0.030 0.000 0.965 54 F HN 0.017 nan 8.300 nan 0.000 0.482 55 I N 0.013 120.661 120.570 0.130 0.000 2.208 55 I HA -0.297 3.879 4.170 0.010 0.000 0.245 55 I C 2.363 178.456 176.117 -0.040 0.000 1.097 55 I CA 1.579 62.874 61.300 -0.008 0.000 1.363 55 I CB -0.624 37.357 38.000 -0.031 0.000 1.051 55 I HN 0.213 nan 8.210 nan 0.000 0.413 56 E N 0.629 120.779 120.200 -0.082 0.000 2.077 56 E HA -0.295 4.061 4.350 0.010 0.000 0.193 56 E C 2.050 178.532 176.600 -0.197 0.000 0.989 56 E CA 1.410 57.735 56.400 -0.124 0.000 0.800 56 E CB -0.247 29.383 29.700 -0.117 0.000 0.746 56 E HN 0.566 nan 8.360 nan 0.000 0.452 57 E N 0.703 120.678 120.200 -0.375 0.000 2.106 57 E HA -0.153 4.203 4.350 0.010 0.000 0.192 57 E C 2.032 178.573 176.600 -0.098 0.000 0.984 57 E CA 0.872 57.060 56.400 -0.353 0.000 0.806 57 E CB -0.008 29.334 29.700 -0.596 0.000 0.750 57 E HN 0.185 nan 8.360 nan 0.000 0.458 58 A N 0.828 123.648 122.820 0.001 0.000 1.930 58 A HA -0.116 4.210 4.320 0.010 0.000 0.217 58 A C 2.132 179.714 177.584 -0.003 0.000 1.175 58 A CA 0.947 53.016 52.037 0.052 0.000 0.627 58 A CB -0.448 18.595 19.000 0.072 0.000 0.815 58 A HN 0.278 nan 8.150 nan 0.000 0.443 59 L N -1.440 119.768 121.223 -0.025 0.000 2.044 59 L HA -0.171 4.175 4.340 0.010 0.000 0.205 59 L C 2.795 179.658 176.870 -0.012 0.000 1.075 59 L CA 1.542 56.366 54.840 -0.027 0.000 0.747 59 L CB -0.639 41.404 42.059 -0.027 0.000 0.903 59 L HN 0.478 nan 8.230 nan 0.000 0.435 60 Q N 0.421 120.217 119.800 -0.008 0.000 2.173 60 Q HA -0.232 4.114 4.340 0.010 0.000 0.208 60 Q C 2.156 178.222 176.000 0.110 0.000 0.989 60 Q CA 1.830 57.656 55.803 0.037 0.000 0.872 60 Q CB 0.000 28.747 28.738 0.015 0.000 0.909 60 Q HN 0.524 nan 8.270 nan 0.000 0.420 61 I N -0.597 120.010 120.570 0.061 0.000 2.867 61 I HA -0.130 4.046 4.170 0.010 0.000 0.265 61 I C 2.263 178.365 176.117 -0.024 0.000 1.162 61 I CA 0.345 61.670 61.300 0.042 0.000 1.471 61 I CB -0.128 37.884 38.000 0.019 0.000 1.123 61 I HN 0.142 nan 8.210 nan 0.000 0.440 62 K N 1.335 121.695 120.400 -0.068 0.000 2.113 62 K HA -0.236 4.090 4.320 0.010 0.000 0.208 62 K C 1.868 178.304 176.600 -0.273 0.000 1.047 62 K CA 1.610 57.771 56.287 -0.210 0.000 0.928 62 K CB 0.063 32.433 32.500 -0.216 0.000 0.716 62 K HN 0.318 nan 8.250 nan 0.000 0.446 63 E N 0.662 120.807 120.200 -0.091 0.000 2.047 63 E HA -0.179 4.177 4.350 0.010 0.000 0.191 63 E C 2.118 178.767 176.600 0.082 0.000 0.987 63 E CA 0.844 57.250 56.400 0.010 0.000 0.799 63 E CB -0.098 29.639 29.700 0.062 0.000 0.752 63 E HN 0.318 nan 8.360 nan 0.000 0.449 64 L N 0.825 122.100 121.223 0.087 0.000 1.997 64 L HA -0.304 4.042 4.340 0.010 0.000 0.216 64 L C 2.490 179.401 176.870 0.067 0.000 1.074 64 L CA 1.528 56.401 54.840 0.055 0.000 0.763 64 L CB -0.299 41.682 42.059 -0.131 0.000 0.890 64 L HN 0.364 nan 8.230 nan 0.000 0.434 65 C N -0.911 118.404 119.300 0.024 0.000 2.418 65 C HA -0.203 4.262 4.460 0.010 0.000 0.280 65 C C 2.534 177.673 174.990 0.247 0.000 1.223 65 C CA 0.637 59.700 59.018 0.075 0.000 1.736 65 C CB -1.568 26.189 27.740 0.030 0.000 2.056 65 C HN 0.585 nan 8.230 nan 0.000 0.459 66 H N 1.018 120.157 119.070 0.113 0.000 2.496 66 H HA -0.097 4.464 4.556 0.010 0.000 0.296 66 H C 2.229 177.619 175.328 0.104 0.000 1.107 66 H CA 1.671 57.798 56.048 0.133 0.000 1.263 66 H CB -0.705 29.120 29.762 0.105 0.000 1.369 66 H HN 0.557 nan 8.280 nan 0.000 0.541 67 A N -0.107 122.861 122.820 0.247 0.000 1.968 67 A HA -0.115 4.211 4.320 0.010 0.000 0.217 67 A C 1.233 178.855 177.584 0.063 0.000 1.169 67 A CA 1.111 53.238 52.037 0.149 0.000 0.638 67 A CB -0.249 18.852 19.000 0.167 0.000 0.812 67 A HN 0.427 nan 8.150 nan 0.000 0.446 68 H N -1.533 117.567 119.070 0.050 0.000 2.519 68 H HA 0.210 4.772 4.556 0.010 0.000 0.289 68 H C 0.824 176.177 175.328 0.042 0.000 1.040 68 H CA 0.280 56.345 56.048 0.027 0.000 1.165 68 H CB 0.061 29.824 29.762 0.001 0.000 1.462 68 H HN 0.556 nan 8.280 nan 0.000 0.555 69 N N -0.631 118.167 118.700 0.163 0.000 2.900 69 N HA -0.208 4.538 4.740 0.010 0.000 0.240 69 N C -0.187 175.485 175.510 0.271 0.000 0.953 69 N CA 0.913 54.066 53.050 0.170 0.000 0.950 69 N CB -1.016 37.520 38.487 0.082 0.000 1.102 69 N HN 0.287 nan 8.380 nan 0.000 0.593 70 V N 0.611 120.611 119.914 0.144 0.000 2.546 70 V HA 0.662 4.788 4.120 0.010 0.000 0.284 70 V C -1.967 174.035 176.094 -0.154 0.000 1.050 70 V CA -1.372 60.879 62.300 -0.082 0.000 0.981 70 V CB 1.316 33.083 31.823 -0.093 0.000 0.990 70 V HN 0.092 nan 8.190 nan 0.000 0.474 71 P HA 0.359 nan 4.420 nan 0.000 0.279 71 P C -1.185 176.005 177.300 -0.183 0.000 1.282 71 P CA -0.528 62.214 63.100 -0.597 0.000 0.788 71 P CB 1.323 32.152 31.700 -1.451 0.000 1.139 72 L N -0.201 121.013 121.223 -0.014 0.000 2.388 72 L HA 0.621 4.967 4.340 0.010 0.000 0.264 72 L C -1.176 175.772 176.870 0.129 0.000 0.998 72 L CA -0.805 54.066 54.840 0.053 0.000 0.817 72 L CB 1.481 43.557 42.059 0.028 0.000 1.338 72 L HN 0.230 nan 8.230 nan 0.000 0.414 73 I N 4.409 125.083 120.570 0.173 0.000 2.647 73 I HA 0.370 4.546 4.170 0.010 0.000 0.295 73 I C -0.224 176.018 176.117 0.208 0.000 1.078 73 I CA -0.809 60.623 61.300 0.219 0.000 1.048 73 I CB 1.944 40.135 38.000 0.317 0.000 1.239 73 I HN 0.549 nan 8.210 nan 0.000 0.421 74 I N 2.627 123.307 120.570 0.183 0.000 6.654 74 I HA 0.330 4.506 4.170 0.010 0.000 0.186 74 I C 0.164 176.397 176.117 0.194 0.000 0.989 74 I CA -0.147 61.254 61.300 0.168 0.000 1.796 74 I CB -0.113 37.929 38.000 0.070 0.000 1.389 74 I HN 0.743 nan 8.210 nan 0.000 0.543 75 N N -0.223 118.575 118.700 0.163 0.000 5.824 75 N HA 0.043 4.789 4.740 0.010 0.000 0.136 75 N C -0.312 175.270 175.510 0.119 0.000 0.985 75 N CA 0.134 53.268 53.050 0.140 0.000 1.193 75 N CB 0.500 39.057 38.487 0.118 0.000 1.465 75 N HN 0.507 nan 8.380 nan 0.000 1.079 76 D N 0.358 120.815 120.400 0.094 0.000 3.896 76 D HA -0.314 4.332 4.640 0.010 0.000 0.222 76 D C 0.379 176.710 176.300 0.052 0.000 1.591 76 D CA 2.665 56.710 54.000 0.075 0.000 2.232 76 D CB -0.527 40.318 40.800 0.076 0.000 1.292 76 D HN 0.721 nan 8.370 nan 0.000 0.461 77 R N 0.385 120.910 120.500 0.042 0.000 2.878 77 R HA 0.519 4.865 4.340 0.010 0.000 0.239 77 R C 1.603 177.867 176.300 -0.060 0.000 1.515 77 R CA 0.681 56.757 56.100 -0.041 0.000 1.210 77 R CB -1.539 28.656 30.300 -0.175 0.000 1.209 77 R HN 0.469 nan 8.270 nan 0.000 0.610 78 I N 0.771 121.326 120.570 -0.026 0.000 2.439 78 I HA -0.160 4.016 4.170 0.010 0.000 0.251 78 I C 1.855 177.947 176.117 -0.041 0.000 1.139 78 I CA 1.459 62.747 61.300 -0.021 0.000 1.438 78 I CB 0.097 38.092 38.000 -0.008 0.000 1.085 78 I HN 0.746 nan 8.210 nan 0.000 0.427 79 D N 0.993 121.360 120.400 -0.055 0.000 2.077 79 D HA -0.156 4.489 4.640 0.010 0.000 0.196 79 D C 2.154 178.400 176.300 -0.090 0.000 0.986 79 D CA 1.146 55.111 54.000 -0.059 0.000 0.829 79 D CB -1.142 39.627 40.800 -0.051 0.000 0.983 79 D HN 0.133 nan 8.370 nan 0.000 0.453 80 V N 1.369 121.189 119.914 -0.157 0.000 2.277 80 V HA -0.334 3.792 4.120 0.010 0.000 0.253 80 V C 2.721 178.716 176.094 -0.165 0.000 1.067 80 V CA 2.389 64.546 62.300 -0.238 0.000 1.047 80 V CB -1.192 30.317 31.823 -0.523 0.000 0.649 80 V HN 0.469 nan 8.190 nan 0.000 0.447 81 A N -0.576 122.170 122.820 -0.123 0.000 1.842 81 A HA -0.311 4.015 4.320 0.010 0.000 0.217 81 A C 2.198 179.768 177.584 -0.024 0.000 1.206 81 A CA 2.711 54.718 52.037 -0.049 0.000 0.630 81 A CB -0.632 18.362 19.000 -0.010 0.000 0.839 81 A HN 0.495 nan 8.150 nan 0.000 0.447 82 M N -0.612 118.976 119.600 -0.019 0.000 2.352 82 M HA -0.281 4.204 4.480 0.010 0.000 0.260 82 M C 2.504 178.797 176.300 -0.013 0.000 1.068 82 M CA 2.008 57.304 55.300 -0.007 0.000 1.082 82 M CB -0.799 31.794 32.600 -0.012 0.000 1.262 82 M HN 0.505 nan 8.290 nan 0.000 0.444 83 A N 0.601 123.402 122.820 -0.031 0.000 2.001 83 A HA -0.219 4.107 4.320 0.010 0.000 0.224 83 A C 1.846 179.416 177.584 -0.023 0.000 1.203 83 A CA 2.344 54.362 52.037 -0.032 0.000 0.667 83 A CB -1.271 17.697 19.000 -0.052 0.000 0.823 83 A HN 0.792 nan 8.150 nan 0.000 0.473 84 I N -5.300 115.255 120.570 -0.025 0.000 3.856 84 I HA 0.567 4.742 4.170 0.010 0.000 0.330 84 I C 0.808 176.933 176.117 0.014 0.000 1.546 84 I CA 0.232 61.524 61.300 -0.014 0.000 1.132 84 I CB -0.224 37.757 38.000 -0.033 0.000 1.157 84 I HN 0.379 nan 8.210 nan 0.000 0.440 85 G N 2.186 111.004 108.800 0.031 0.000 2.371 85 G HA2 -0.194 3.772 3.960 0.010 0.000 0.299 85 G HA3 -0.194 3.772 3.960 0.010 0.000 0.299 85 G C 0.375 175.333 174.900 0.098 0.000 1.014 85 G CA 0.255 45.396 45.100 0.068 0.000 1.097 85 G HN 1.012 nan 8.290 nan 0.000 0.512 86 A N -0.349 122.517 122.820 0.077 0.000 2.407 86 A HA 0.574 4.900 4.320 0.010 0.000 0.248 86 A C 1.273 178.951 177.584 0.157 0.000 1.082 86 A CA 0.426 52.521 52.037 0.098 0.000 0.785 86 A CB 0.475 19.514 19.000 0.065 0.000 1.020 86 A HN 0.316 nan 8.150 nan 0.000 0.489 87 D N 0.922 121.446 120.400 0.206 0.000 2.162 87 D HA 0.140 4.785 4.640 0.010 0.000 0.203 87 D C 0.947 177.413 176.300 0.277 0.000 0.967 87 D CA 1.824 55.999 54.000 0.292 0.000 0.840 87 D CB 0.247 41.221 40.800 0.290 0.000 0.972 87 D HN 0.698 nan 8.370 nan 0.000 0.482 88 G N 0.121 109.046 108.800 0.208 0.000 2.682 88 G HA2 0.597 4.562 3.960 0.010 0.000 0.290 88 G HA3 0.597 4.562 3.960 0.010 0.000 0.290 88 G C -1.443 173.550 174.900 0.154 0.000 1.425 88 G CA -0.736 44.453 45.100 0.148 0.000 0.807 88 G HN 0.114 nan 8.290 nan 0.000 0.482 89 I N -1.862 118.795 120.570 0.144 0.000 2.569 89 I HA 0.662 4.838 4.170 0.010 0.000 0.290 89 I C -1.768 174.479 176.117 0.216 0.000 1.088 89 I CA -1.043 60.354 61.300 0.161 0.000 1.047 89 I CB 2.677 40.734 38.000 0.094 0.000 1.237 89 I HN 0.546 nan 8.210 nan 0.000 0.421 90 H N 6.527 125.686 119.070 0.149 0.000 2.511 90 H HA 0.730 5.292 4.556 0.010 0.000 0.328 90 H C -1.405 173.996 175.328 0.120 0.000 1.044 90 H CA -0.647 55.492 56.048 0.151 0.000 1.212 90 H CB 1.765 31.680 29.762 0.255 0.000 1.428 90 H HN 0.714 nan 8.280 nan 0.000 0.483 91 V N 3.013 123.245 119.914 0.531 0.000 3.046 91 V HA 0.949 5.074 4.120 0.010 0.000 0.316 91 V C 0.096 176.428 176.094 0.397 0.000 1.104 91 V CA -0.228 62.267 62.300 0.325 0.000 1.006 91 V CB 1.760 33.702 31.823 0.198 0.000 1.058 91 V HN 0.825 nan 8.190 nan 0.000 0.440 92 G N 0.728 109.658 108.800 0.218 0.000 2.521 92 G HA2 0.441 4.406 3.960 0.010 0.000 0.323 92 G HA3 0.441 4.406 3.960 0.010 0.000 0.323 92 G C 0.011 175.011 174.900 0.167 0.000 1.211 92 G CA -0.291 44.885 45.100 0.127 0.000 0.979 92 G HN 0.871 nan 8.290 nan 0.000 0.490 93 Q N -0.939 118.848 119.800 -0.022 0.000 2.364 93 Q HA -0.024 4.321 4.340 0.010 0.000 0.209 93 Q C 0.622 176.667 176.000 0.075 0.000 0.977 93 Q CA 1.413 57.201 55.803 -0.024 0.000 0.885 93 Q CB 0.214 28.807 28.738 -0.242 0.000 0.941 93 Q HN 0.505 nan 8.270 nan 0.000 0.464 94 D N -0.445 119.988 120.400 0.055 0.000 2.535 94 D HA 0.114 4.760 4.640 0.010 0.000 0.229 94 D C -0.600 175.737 176.300 0.062 0.000 1.238 94 D CA -0.088 53.942 54.000 0.049 0.000 0.824 94 D CB 0.398 41.206 40.800 0.012 0.000 1.045 94 D HN 0.129 nan 8.370 nan 0.000 0.500 95 D N -0.063 120.396 120.400 0.097 0.000 2.511 95 D HA 0.171 4.817 4.640 0.010 0.000 0.283 95 D C 0.546 176.896 176.300 0.083 0.000 1.198 95 D CA -0.521 53.530 54.000 0.085 0.000 1.097 95 D CB 0.512 41.370 40.800 0.095 0.000 1.160 95 D HN -0.047 nan 8.370 nan 0.000 0.589 96 M N 1.006 120.642 119.600 0.059 0.000 2.239 96 M HA 0.192 4.678 4.480 0.010 0.000 0.348 96 M C -2.289 174.011 176.300 -0.000 0.000 1.239 96 M CA -0.979 54.336 55.300 0.025 0.000 1.114 96 M CB 0.821 33.426 32.600 0.007 0.000 1.641 96 M HN -0.097 nan 8.290 nan 0.000 0.453 97 P HA -0.111 nan 4.420 nan 0.000 0.263 97 P C 0.545 177.756 177.300 -0.147 0.000 1.175 97 P CA -0.039 63.018 63.100 -0.072 0.000 0.761 97 P CB 0.254 31.924 31.700 -0.050 0.000 0.794 98 I N 4.994 125.396 120.570 -0.281 0.000 2.163 98 I HA -0.146 4.030 4.170 0.010 0.000 0.243 98 I C -0.710 175.280 176.117 -0.211 0.000 1.085 98 I CA 1.877 62.973 61.300 -0.339 0.000 1.347 98 I CB -2.804 34.853 38.000 -0.571 0.000 1.044 98 I HN 0.365 nan 8.210 nan 0.000 0.408 99 P HA -0.197 nan 4.420 nan 0.000 0.208 99 P C 2.184 179.429 177.300 -0.093 0.000 1.180 99 P CA 1.647 64.675 63.100 -0.120 0.000 0.935 99 P CB -0.203 31.439 31.700 -0.097 0.000 0.785 100 M N -1.482 118.072 119.600 -0.076 0.000 2.190 100 M HA -0.248 4.238 4.480 0.010 0.000 0.252 100 M C 2.246 178.513 176.300 -0.055 0.000 1.076 100 M CA 2.146 57.413 55.300 -0.055 0.000 1.079 100 M CB -1.617 30.957 32.600 -0.043 0.000 1.303 100 M HN -0.055 nan 8.290 nan 0.000 0.412 101 I N -0.635 119.895 120.570 -0.067 0.000 2.208 101 I HA -0.283 3.893 4.170 0.010 0.000 0.245 101 I C 2.685 178.767 176.117 -0.059 0.000 1.097 101 I CA 1.289 62.554 61.300 -0.059 0.000 1.363 101 I CB -0.490 37.468 38.000 -0.071 0.000 1.051 101 I HN 0.265 nan 8.210 nan 0.000 0.413 102 R N 1.500 121.954 120.500 -0.077 0.000 2.148 102 R HA -0.116 4.229 4.340 0.010 0.000 0.227 102 R C 2.125 178.392 176.300 -0.055 0.000 1.103 102 R CA 1.310 57.368 56.100 -0.070 0.000 0.983 102 R CB -0.395 29.849 30.300 -0.092 0.000 0.874 102 R HN 0.182 nan 8.270 nan 0.000 0.451 103 K N 0.180 120.549 120.400 -0.052 0.000 2.147 103 K HA -0.104 4.222 4.320 0.010 0.000 0.205 103 K C 1.545 178.127 176.600 -0.031 0.000 1.049 103 K CA 1.437 57.700 56.287 -0.041 0.000 0.936 103 K CB 0.016 32.492 32.500 -0.039 0.000 0.722 103 K HN 0.263 nan 8.250 nan 0.000 0.446 104 L N 0.071 121.276 121.223 -0.030 0.000 2.185 104 L HA -0.047 4.299 4.340 0.010 0.000 0.198 104 L C 2.466 179.326 176.870 -0.017 0.000 1.079 104 L CA 0.457 55.283 54.840 -0.022 0.000 0.780 104 L CB -0.796 41.251 42.059 -0.021 0.000 0.955 104 L HN -0.066 nan 8.230 nan 0.000 0.462 105 V N -1.228 118.675 119.914 -0.018 0.000 2.548 105 V HA 0.243 4.369 4.120 0.010 0.000 0.249 105 V C 1.212 177.301 176.094 -0.009 0.000 1.055 105 V CA 0.344 62.639 62.300 -0.009 0.000 1.065 105 V CB -1.799 30.021 31.823 -0.006 0.000 0.681 105 V HN 0.543 nan 8.190 nan 0.000 0.462 106 G N 0.779 109.566 108.800 -0.021 0.000 2.901 106 G HA2 -0.155 3.810 3.960 0.010 0.000 0.654 106 G HA3 -0.155 3.810 3.960 0.010 0.000 0.654 106 G C -2.072 172.816 174.900 -0.019 0.000 1.550 106 G CA -0.315 44.772 45.100 -0.023 0.000 0.978 106 G HN 0.618 nan 8.290 nan 0.000 0.566 107 P HA 0.246 nan 4.420 nan 0.000 0.272 107 P C 0.533 177.834 177.300 0.002 0.000 1.243 107 P CA 0.889 63.975 63.100 -0.023 0.000 0.803 107 P CB 0.263 31.944 31.700 -0.032 0.000 0.974 108 D N -4.107 116.301 120.400 0.014 0.000 2.001 108 D HA -0.139 4.507 4.640 0.010 0.000 0.175 108 D C 0.250 176.596 176.300 0.076 0.000 1.313 108 D CA 1.190 55.219 54.000 0.048 0.000 1.259 108 D CB -1.268 39.561 40.800 0.048 0.000 1.284 108 D HN 0.427 nan 8.370 nan 0.000 0.549 109 M N 1.910 121.540 119.600 0.050 0.000 2.336 109 M HA 0.457 4.943 4.480 0.010 0.000 0.342 109 M C -0.571 175.733 176.300 0.007 0.000 1.128 109 M CA -0.675 54.662 55.300 0.062 0.000 1.016 109 M CB 2.055 34.691 32.600 0.061 0.000 1.665 109 M HN -0.197 nan 8.290 nan 0.000 0.445 110 V N 5.925 125.816 119.914 -0.039 0.000 2.637 110 V HA 0.203 4.329 4.120 0.010 0.000 0.296 110 V C 0.099 176.179 176.094 -0.024 0.000 1.046 110 V CA 0.155 62.383 62.300 -0.120 0.000 1.066 110 V CB 0.854 32.420 31.823 -0.428 0.000 0.968 110 V HN 0.710 nan 8.190 nan 0.000 0.483 111 I N 4.415 124.965 120.570 -0.034 0.000 2.382 111 I HA 0.445 4.621 4.170 0.010 0.000 0.285 111 I C 0.820 176.782 176.117 -0.258 0.000 1.007 111 I CA -0.261 60.992 61.300 -0.080 0.000 1.142 111 I CB 1.546 39.481 38.000 -0.108 0.000 1.289 111 I HN 0.705 nan 8.210 nan 0.000 0.453 112 G N 4.926 113.488 108.800 -0.398 0.000 2.476 112 G HA2 0.331 4.296 3.960 0.010 0.000 0.269 112 G HA3 0.331 4.296 3.960 0.010 0.000 0.269 112 G C -1.922 172.643 174.900 -0.558 0.000 1.195 112 G CA -0.073 44.289 45.100 -1.230 0.000 0.843 112 G HN 0.575 nan 8.290 nan 0.000 0.545 113 W N 0.648 121.463 121.300 -0.809 0.000 3.097 113 W HA 0.523 5.189 4.660 0.009 0.000 0.335 113 W C -0.448 175.975 176.519 -0.160 0.000 1.114 113 W CA -1.354 55.802 57.345 -0.314 0.000 1.231 113 W CB 1.832 31.167 29.460 -0.209 0.000 1.388 113 W HN 0.415 nan 8.180 nan 0.000 0.485 114 S N 3.529 119.192 115.700 -0.062 0.000 2.414 114 S HA 0.408 4.884 4.470 0.010 0.000 0.290 114 S C -0.245 174.021 174.600 -0.556 0.000 1.160 114 S CA -0.344 57.756 58.200 -0.166 0.000 1.069 114 S CB -0.091 63.071 63.200 -0.063 0.000 1.012 114 S HN 0.216 nan 8.310 nan 0.000 0.510 115 V N 2.564 122.231 119.914 -0.413 0.000 2.732 115 V HA 0.820 4.946 4.120 0.010 0.000 0.310 115 V C 1.089 177.004 176.094 -0.298 0.000 1.053 115 V CA -0.531 61.499 62.300 -0.450 0.000 0.957 115 V CB 1.801 33.434 31.823 -0.317 0.000 1.018 115 V HN 0.886 nan 8.190 nan 0.000 0.452 116 G N 1.029 109.650 108.800 -0.297 0.000 2.371 116 G HA2 0.255 4.220 3.960 0.010 0.000 0.177 116 G HA3 0.255 4.220 3.960 0.010 0.000 0.177 116 G C -0.192 174.785 174.900 0.128 0.000 1.427 116 G CA 0.195 45.185 45.100 -0.183 0.000 0.739 116 G HN 0.358 nan 8.290 nan 0.000 1.033 117 F N 0.229 120.091 119.950 -0.147 0.000 2.541 117 F HA 0.544 5.077 4.527 0.010 0.000 0.331 117 F C -1.805 173.936 175.800 -0.100 0.000 1.057 117 F CA -3.153 54.782 58.000 -0.108 0.000 0.975 117 F CB 1.593 40.538 39.000 -0.092 0.000 1.246 117 F HN -0.225 nan 8.300 nan 0.000 0.484 118 P HA -0.016 nan 4.420 nan 0.000 0.221 118 P C 0.915 178.248 177.300 0.054 0.000 1.155 118 P CA 1.108 64.231 63.100 0.039 0.000 0.812 118 P CB 0.360 32.059 31.700 -0.002 0.000 0.801 119 E N 0.232 120.482 120.200 0.084 0.000 2.284 119 E HA -0.212 4.144 4.350 0.010 0.000 0.200 119 E C 1.653 178.309 176.600 0.093 0.000 1.008 119 E CA 1.225 57.677 56.400 0.087 0.000 0.829 119 E CB -0.619 29.148 29.700 0.112 0.000 0.744 119 E HN 0.475 nan 8.360 nan 0.000 0.491 120 E N -0.583 119.658 120.200 0.068 0.000 2.250 120 E HA -0.037 4.318 4.350 0.010 0.000 0.192 120 E C 1.787 178.440 176.600 0.090 0.000 0.986 120 E CA 0.617 57.029 56.400 0.020 0.000 0.849 120 E CB 0.373 29.932 29.700 -0.234 0.000 0.797 120 E HN 0.126 nan 8.360 nan 0.000 0.482 121 V N 1.431 121.373 119.914 0.047 0.000 2.591 121 V HA -0.172 3.953 4.120 0.010 0.000 0.249 121 V C 1.503 177.644 176.094 0.077 0.000 1.053 121 V CA 1.426 63.756 62.300 0.050 0.000 1.068 121 V CB -0.389 31.427 31.823 -0.012 0.000 0.689 121 V HN 0.105 nan 8.190 nan 0.000 0.462 122 D N 0.729 121.175 120.400 0.075 0.000 2.084 122 D HA -0.152 4.494 4.640 0.010 0.000 0.194 122 D C 2.244 178.610 176.300 0.109 0.000 0.990 122 D CA 1.514 55.559 54.000 0.076 0.000 0.826 122 D CB -0.199 40.637 40.800 0.060 0.000 0.971 122 D HN 0.549 nan 8.370 nan 0.000 0.453 123 E N 0.542 120.828 120.200 0.144 0.000 2.070 123 E HA -0.186 4.170 4.350 0.010 0.000 0.197 123 E C 2.306 179.007 176.600 0.169 0.000 1.004 123 E CA 0.459 56.957 56.400 0.164 0.000 0.805 123 E CB -0.285 29.562 29.700 0.246 0.000 0.744 123 E HN 0.233 nan 8.360 nan 0.000 0.451 124 L N 0.823 122.202 121.223 0.261 0.000 2.089 124 L HA -0.266 4.079 4.340 0.010 0.000 0.213 124 L C 2.071 179.088 176.870 0.244 0.000 1.079 124 L CA 1.534 56.523 54.840 0.247 0.000 0.758 124 L CB -0.055 42.179 42.059 0.293 0.000 0.891 124 L HN 0.047 nan 8.230 nan 0.000 0.433 125 S N -0.603 115.224 115.700 0.212 0.000 2.404 125 S HA -0.033 4.443 4.470 0.010 0.000 0.223 125 S C 1.440 176.179 174.600 0.232 0.000 1.040 125 S CA 0.481 58.857 58.200 0.294 0.000 0.957 125 S CB 0.000 63.293 63.200 0.155 0.000 0.826 125 S HN 0.387 nan 8.310 nan 0.000 0.491 126 K N 0.925 121.407 120.400 0.136 0.000 2.699 126 K HA 0.089 4.415 4.320 0.010 0.000 0.197 126 K C 0.918 177.548 176.600 0.049 0.000 1.017 126 K CA 0.654 56.990 56.287 0.082 0.000 1.006 126 K CB -0.282 32.256 32.500 0.062 0.000 0.819 126 K HN 0.402 nan 8.250 nan 0.000 0.493 127 M N -1.334 118.303 119.600 0.060 0.000 2.251 127 M HA 0.118 4.604 4.480 0.010 0.000 0.308 127 M C 0.705 176.949 176.300 -0.093 0.000 0.967 127 M CA 0.080 55.369 55.300 -0.019 0.000 1.103 127 M CB 1.226 33.803 32.600 -0.038 0.000 1.815 127 M HN 0.287 nan 8.290 nan 0.000 0.623 128 G N 1.939 110.704 108.800 -0.058 0.000 2.804 128 G HA2 -0.188 3.778 3.960 0.010 0.000 0.230 128 G HA3 -0.188 3.778 3.960 0.010 0.000 0.230 128 G C -2.952 171.304 174.900 -1.073 0.000 1.386 128 G CA -1.157 43.660 45.100 -0.472 0.000 0.875 128 G HN 0.102 nan 8.290 nan 0.000 0.557 129 P HA 0.304 nan 4.420 nan 0.000 0.271 129 P C 0.171 177.018 177.300 -0.754 0.000 1.238 129 P CA 0.834 62.968 63.100 -1.609 0.000 0.794 129 P CB 0.208 31.336 31.700 -0.954 0.000 0.959 130 D N -1.985 118.099 120.400 -0.528 0.000 3.076 130 D HA -0.151 4.494 4.640 0.010 0.000 0.218 130 D C -0.380 175.799 176.300 -0.201 0.000 1.156 130 D CA 1.331 55.175 54.000 -0.261 0.000 0.921 130 D CB -1.357 39.319 40.800 -0.207 0.000 1.113 130 D HN 0.408 nan 8.370 nan 0.000 0.418 131 M N -0.428 119.051 119.600 -0.202 0.000 2.234 131 M HA 0.286 4.772 4.480 0.010 0.000 0.267 131 M C -0.340 175.949 176.300 -0.017 0.000 1.022 131 M CA -0.705 54.518 55.300 -0.129 0.000 0.993 131 M CB 2.925 35.430 32.600 -0.159 0.000 1.836 131 M HN -0.162 nan 8.290 nan 0.000 0.479 132 V N 2.102 121.980 119.914 -0.059 0.000 5.198 132 V HA -0.182 3.943 4.120 0.010 0.000 0.348 132 V C -0.148 176.031 176.094 0.143 0.000 0.661 132 V CA 0.744 63.036 62.300 -0.014 0.000 1.358 132 V CB -1.486 30.358 31.823 0.034 0.000 1.628 132 V HN 1.040 nan 8.190 nan 0.000 0.466 133 D N 3.376 123.829 120.400 0.089 0.000 2.460 133 D HA 0.423 5.069 4.640 0.010 0.000 0.229 133 D C 0.003 176.424 176.300 0.202 0.000 1.170 133 D CA 0.788 54.909 54.000 0.201 0.000 0.827 133 D CB 0.554 41.426 40.800 0.120 0.000 0.973 133 D HN 1.015 nan 8.370 nan 0.000 0.496 134 Y N -0.393 119.891 120.300 -0.027 0.000 2.827 134 Y HA 0.216 4.772 4.550 0.010 0.000 0.389 134 Y C -2.308 173.548 175.900 -0.073 0.000 1.157 134 Y CA -1.766 56.257 58.100 -0.130 0.000 1.426 134 Y CB -0.156 38.195 38.460 -0.181 0.000 1.477 134 Y HN -0.107 nan 8.280 nan 0.000 0.532 135 I N 0.701 121.248 120.570 -0.039 0.000 3.108 135 I HA 1.079 5.254 4.170 0.010 0.000 0.312 135 I C -0.312 175.868 176.117 0.104 0.000 1.095 135 I CA -1.339 59.883 61.300 -0.130 0.000 1.000 135 I CB 2.679 40.631 38.000 -0.079 0.000 1.229 135 I HN 1.144 nan 8.210 nan 0.000 0.454 136 G N 2.387 111.220 108.800 0.055 0.000 2.605 136 G HA2 0.536 4.501 3.960 0.010 0.000 0.304 136 G HA3 0.536 4.501 3.960 0.010 0.000 0.304 136 G C -0.475 174.446 174.900 0.034 0.000 1.333 136 G CA -0.641 44.561 45.100 0.169 0.000 0.973 136 G HN 0.770 nan 8.290 nan 0.000 0.507 137 V N 2.617 122.534 119.914 0.004 0.000 2.390 137 V HA 0.614 4.739 4.120 0.010 0.000 0.260 137 V C 1.257 177.300 176.094 -0.085 0.000 1.043 137 V CA -0.010 62.254 62.300 -0.060 0.000 1.047 137 V CB -0.438 31.346 31.823 -0.066 0.000 1.066 137 V HN 1.709 nan 8.190 nan 0.000 0.481 138 G N 5.263 113.994 108.800 -0.114 0.000 2.566 138 G HA2 -0.230 3.735 3.960 0.010 0.000 0.308 138 G HA3 -0.230 3.735 3.960 0.010 0.000 0.308 138 G C 0.088 174.920 174.900 -0.114 0.000 1.317 138 G CA 0.211 45.232 45.100 -0.132 0.000 0.930 138 G HN 1.367 nan 8.290 nan 0.000 0.547 139 T N 1.555 116.040 114.554 -0.115 0.000 2.821 139 T HA 0.519 4.874 4.350 0.010 0.000 0.307 139 T C 1.858 176.450 174.700 -0.179 0.000 1.034 139 T CA -0.192 61.843 62.100 -0.107 0.000 0.953 139 T CB 1.175 70.004 68.868 -0.064 0.000 0.968 139 T HN 0.534 nan 8.240 nan 0.000 0.462 140 L N 1.943 122.989 121.223 -0.296 0.000 1.956 140 L HA 0.011 4.356 4.340 0.010 0.000 0.216 140 L C 0.101 176.479 176.870 -0.820 0.000 1.073 140 L CA 1.709 56.131 54.840 -0.697 0.000 0.762 140 L CB -0.285 41.199 42.059 -0.959 0.000 0.889 140 L HN 0.521 nan 8.230 nan 0.000 0.433 141 F N -1.956 118.002 119.950 0.014 0.000 2.565 141 F HA 0.535 5.068 4.527 0.009 0.000 0.313 141 F C -2.408 173.410 175.800 0.030 0.000 1.091 141 F CA -2.662 55.358 58.000 0.034 0.000 0.915 141 F CB 0.429 39.456 39.000 0.045 0.000 1.208 141 F HN -0.291 nan 8.300 nan 0.000 0.453 155 G N 0.945 109.622 108.800 -0.204 0.000 2.641 155 G HA2 -0.328 3.638 3.960 0.010 0.000 0.254 155 G HA3 -0.328 3.638 3.960 0.010 0.000 0.254 155 G C 0.455 175.191 174.900 -0.275 0.000 1.315 155 G CA 1.428 46.343 45.100 -0.308 0.000 0.907 155 G HN 1.234 nan 8.290 nan 0.000 0.572 156 T N -1.326 113.109 114.554 -0.198 0.000 2.737 156 T HA 0.165 4.521 4.350 0.010 0.000 0.265 156 T C 2.807 177.396 174.700 -0.185 0.000 1.038 156 T CA 3.070 65.065 62.100 -0.175 0.000 1.144 156 T CB -0.878 67.914 68.868 -0.127 0.000 0.866 156 T HN 2.158 nan 8.240 nan 0.000 0.434 157 A N 2.212 124.930 122.820 -0.170 0.000 1.923 157 A HA -0.067 4.259 4.320 0.010 0.000 0.222 157 A C 2.619 180.120 177.584 -0.138 0.000 1.258 157 A CA 2.269 54.198 52.037 -0.181 0.000 0.670 157 A CB -1.668 17.310 19.000 -0.037 0.000 0.834 157 A HN 0.710 nan 8.150 nan 0.000 0.470 158 G N -2.296 106.440 108.800 -0.107 0.000 2.985 158 G HA2 0.334 4.299 3.960 0.010 0.000 0.209 158 G HA3 0.334 4.299 3.960 0.010 0.000 0.209 158 G C 1.283 176.130 174.900 -0.088 0.000 1.165 158 G CA 1.049 46.100 45.100 -0.082 0.000 0.776 158 G HN 0.842 nan 8.290 nan 0.000 0.541 159 A N 0.547 123.293 122.820 -0.123 0.000 1.975 159 A HA 0.274 4.600 4.320 0.010 0.000 0.215 159 A C 2.176 179.695 177.584 -0.107 0.000 1.170 159 A CA 0.483 52.449 52.037 -0.119 0.000 0.656 159 A CB -0.130 18.784 19.000 -0.144 0.000 0.821 159 A HN 0.307 nan 8.150 nan 0.000 0.449 160 I N -0.667 119.828 120.570 -0.124 0.000 2.286 160 I HA -0.194 3.982 4.170 0.010 0.000 0.245 160 I C 2.555 178.622 176.117 -0.084 0.000 1.104 160 I CA 0.892 62.125 61.300 -0.111 0.000 1.397 160 I CB -0.224 37.688 38.000 -0.147 0.000 1.072 160 I HN 0.225 nan 8.210 nan 0.000 0.417 161 R N -0.060 120.390 120.500 -0.083 0.000 2.185 161 R HA -0.171 4.175 4.340 0.010 0.000 0.247 161 R C 2.079 178.349 176.300 -0.051 0.000 1.159 161 R CA 1.328 57.390 56.100 -0.063 0.000 0.988 161 R CB -0.256 30.006 30.300 -0.063 0.000 0.871 161 R HN 0.286 nan 8.270 nan 0.000 0.458 162 V N 0.375 120.256 119.914 -0.055 0.000 2.436 162 V HA -0.095 4.031 4.120 0.010 0.000 0.240 162 V C 2.141 178.197 176.094 -0.063 0.000 1.040 162 V CA 0.783 63.052 62.300 -0.052 0.000 1.052 162 V CB -0.260 31.530 31.823 -0.055 0.000 0.707 162 V HN 0.246 nan 8.190 nan 0.000 0.469 163 L N 0.335 121.517 121.223 -0.068 0.000 2.211 163 L HA -0.277 4.068 4.340 0.010 0.000 0.216 163 L C 2.165 179.000 176.870 -0.058 0.000 1.092 163 L CA 1.567 56.366 54.840 -0.067 0.000 0.767 163 L CB -0.491 41.531 42.059 -0.062 0.000 0.894 163 L HN 0.439 nan 8.230 nan 0.000 0.437 164 D N -0.527 119.842 120.400 -0.052 0.000 2.146 164 D HA -0.042 4.604 4.640 0.010 0.000 0.209 164 D C 2.234 178.508 176.300 -0.045 0.000 0.973 164 D CA 1.313 55.287 54.000 -0.043 0.000 0.860 164 D CB -0.115 40.662 40.800 -0.039 0.000 1.015 164 D HN 0.224 nan 8.370 nan 0.000 0.465 165 A N 1.178 123.972 122.820 -0.043 0.000 1.997 165 A HA -0.189 4.137 4.320 0.010 0.000 0.221 165 A C 2.350 179.902 177.584 -0.054 0.000 1.172 165 A CA 1.092 53.106 52.037 -0.038 0.000 0.645 165 A CB -0.913 18.069 19.000 -0.029 0.000 0.813 165 A HN 0.261 nan 8.150 nan 0.000 0.454 166 L N -1.576 119.601 121.223 -0.077 0.000 2.131 166 L HA -0.154 4.192 4.340 0.010 0.000 0.210 166 L C 2.523 179.329 176.870 -0.106 0.000 1.092 166 L CA 1.720 56.488 54.840 -0.121 0.000 0.759 166 L CB -0.203 41.772 42.059 -0.139 0.000 0.903 166 L HN 0.391 nan 8.230 nan 0.000 0.435 167 E N -0.441 119.717 120.200 -0.069 0.000 2.276 167 E HA -0.103 4.253 4.350 0.010 0.000 0.193 167 E C 1.981 178.563 176.600 -0.031 0.000 0.983 167 E CA 0.290 56.662 56.400 -0.047 0.000 0.861 167 E CB 0.140 29.817 29.700 -0.038 0.000 0.817 167 E HN 0.151 nan 8.360 nan 0.000 0.485 168 R N -0.085 120.396 120.500 -0.031 0.000 2.323 168 R HA 0.123 4.468 4.340 0.010 0.000 0.198 168 R C 0.180 176.475 176.300 -0.009 0.000 0.988 168 R CA 0.745 56.834 56.100 -0.019 0.000 1.041 168 R CB -0.046 30.242 30.300 -0.020 0.000 0.926 168 R HN 0.017 nan 8.270 nan 0.000 0.476 169 N N -0.369 118.321 118.700 -0.017 0.000 2.299 169 N HA 0.063 4.809 4.740 0.010 0.000 0.246 169 N C -0.871 174.645 175.510 0.010 0.000 1.254 169 N CA 0.379 53.429 53.050 -0.001 0.000 0.879 169 N CB 0.883 39.360 38.487 -0.017 0.000 1.214 169 N HN 0.350 nan 8.380 nan 0.000 0.510 170 N N 1.299 120.011 118.700 0.020 0.000 2.953 170 N HA -0.222 4.524 4.740 0.010 0.000 0.293 170 N C 0.323 175.876 175.510 0.072 0.000 1.029 170 N CA 0.810 53.900 53.050 0.065 0.000 0.860 170 N CB -1.238 37.319 38.487 0.117 0.000 0.940 170 N HN 0.411 nan 8.380 nan 0.000 0.610 171 A N 1.692 124.382 122.820 -0.216 0.000 3.078 171 A HA 0.420 4.746 4.320 0.010 0.000 0.279 171 A C 1.284 178.426 177.584 -0.737 0.000 1.594 171 A CA 0.173 51.714 52.037 -0.827 0.000 1.301 171 A CB -0.392 17.947 19.000 -1.101 0.000 1.162 171 A HN 0.947 nan 8.150 nan 0.000 0.585 172 H N -0.930 118.017 119.070 -0.205 0.000 2.547 172 H HA -0.121 4.441 4.556 0.010 0.000 0.272 172 H C 1.421 176.749 175.328 -0.000 0.000 0.989 172 H CA 1.089 57.094 56.048 -0.070 0.000 1.214 172 H CB -0.390 29.404 29.762 0.054 0.000 1.389 172 H HN 0.924 nan 8.280 nan 0.000 0.577 173 W N 1.330 122.308 121.300 -0.536 0.000 2.441 173 W HA 0.162 4.828 4.660 0.010 0.000 0.302 173 W C 0.832 177.269 176.519 -0.137 0.000 1.191 173 W CA -0.498 56.678 57.345 -0.280 0.000 1.327 173 W CB -0.848 28.418 29.460 -0.323 0.000 1.128 173 W HN 0.063 nan 8.180 nan 0.000 0.522 174 C N 5.896 124.712 119.300 -0.806 0.000 2.616 174 C HA 0.171 4.637 4.460 0.010 0.000 0.402 174 C C 1.034 175.851 174.990 -0.289 0.000 1.436 174 C CA -0.633 58.067 59.018 -0.529 0.000 1.521 174 C CB -1.484 25.780 27.740 -0.794 0.000 2.413 174 C HN 0.223 nan 8.230 nan 0.000 0.617 175 R N 3.914 124.296 120.500 -0.197 0.000 2.546 175 R HA 0.613 4.958 4.340 0.010 0.000 0.266 175 R C 0.315 176.470 176.300 -0.241 0.000 1.086 175 R CA -0.145 55.781 56.100 -0.290 0.000 1.160 175 R CB 0.754 30.713 30.300 -0.569 0.000 1.138 175 R HN 0.801 nan 8.270 nan 0.000 0.567 176 T N -2.690 111.713 114.554 -0.251 0.000 2.906 176 T HA 0.646 5.002 4.350 0.010 0.000 0.295 176 T C -0.217 174.434 174.700 -0.081 0.000 1.075 176 T CA -0.892 61.140 62.100 -0.113 0.000 1.005 176 T CB 1.717 70.535 68.868 -0.084 0.000 1.136 176 T HN 0.453 nan 8.240 nan 0.000 0.498 177 V N -1.635 118.311 119.914 0.054 0.000 2.888 177 V HA 0.944 5.069 4.120 0.010 0.000 0.309 177 V C 0.152 176.303 176.094 0.094 0.000 1.114 177 V CA -0.895 61.474 62.300 0.114 0.000 0.940 177 V CB 1.433 33.427 31.823 0.284 0.000 1.021 177 V HN 1.356 nan 8.190 nan 0.000 0.426 178 G N 2.720 111.554 108.800 0.057 0.000 2.395 178 G HA2 0.686 4.652 3.960 0.010 0.000 0.283 178 G HA3 0.686 4.652 3.960 0.010 0.000 0.283 178 G C -0.924 173.992 174.900 0.027 0.000 1.178 178 G CA -0.533 44.576 45.100 0.015 0.000 0.837 178 G HN 1.162 nan 8.290 nan 0.000 0.518 179 I N 0.768 121.336 120.570 -0.003 0.000 2.644 179 I HA 0.600 4.776 4.170 0.010 0.000 0.291 179 I C -0.148 175.952 176.117 -0.027 0.000 1.180 179 I CA -0.235 61.061 61.300 -0.008 0.000 1.040 179 I CB 1.947 39.956 38.000 0.014 0.000 1.255 179 I HN 1.121 nan 8.210 nan 0.000 0.422 180 G N 4.504 113.299 108.800 -0.010 0.000 2.551 180 G HA2 0.396 4.362 3.960 0.010 0.000 0.604 180 G HA3 0.396 4.362 3.960 0.010 0.000 0.604 180 G C 0.350 175.333 174.900 0.138 0.000 1.116 180 G CA -0.358 44.755 45.100 0.021 0.000 1.285 180 G HN 1.730 nan 8.290 nan 0.000 0.586 181 G N -0.652 108.233 108.800 0.142 0.000 2.179 181 G HA2 -0.022 3.944 3.960 0.010 0.000 0.220 181 G HA3 -0.022 3.944 3.960 0.010 0.000 0.220 181 G C 0.430 175.442 174.900 0.187 0.000 0.990 181 G CA 0.200 45.469 45.100 0.282 0.000 0.646 181 G HN 1.560 nan 8.290 nan 0.000 0.517 182 L N 3.216 124.429 121.223 -0.016 0.000 2.530 182 L HA 0.443 4.789 4.340 0.010 0.000 0.273 182 L C 0.714 177.330 176.870 -0.424 0.000 1.141 182 L CA 0.235 55.017 54.840 -0.097 0.000 0.905 182 L CB -0.566 41.456 42.059 -0.062 0.000 1.202 182 L HN 0.313 nan 8.230 nan 0.000 0.473 183 H N 4.157 123.204 119.070 -0.038 0.000 2.908 183 H HA 0.340 4.902 4.556 0.010 0.000 0.350 183 H C -1.831 173.457 175.328 -0.066 0.000 1.217 183 H CA -1.663 54.354 56.048 -0.051 0.000 1.168 183 H CB 1.262 30.986 29.762 -0.063 0.000 1.891 183 H HN 0.153 nan 8.280 nan 0.000 0.566 184 P HA -0.101 nan 4.420 nan 0.000 0.225 184 P C 0.476 177.766 177.300 -0.016 0.000 1.148 184 P CA 1.385 64.492 63.100 0.012 0.000 0.779 184 P CB -0.040 31.672 31.700 0.021 0.000 0.780 185 D N -1.567 118.824 120.400 -0.015 0.000 2.323 185 D HA -0.042 4.604 4.640 0.010 0.000 0.239 185 D C 0.863 177.108 176.300 -0.092 0.000 1.129 185 D CA 0.040 54.011 54.000 -0.047 0.000 0.865 185 D CB -0.797 39.968 40.800 -0.059 0.000 0.913 185 D HN 0.124 nan 8.370 nan 0.000 0.517 186 N N -0.385 118.245 118.700 -0.116 0.000 1.903 186 N HA -0.044 4.702 4.740 0.010 0.000 0.220 186 N C 0.379 175.791 175.510 -0.162 0.000 1.427 186 N CA -0.278 52.663 53.050 -0.183 0.000 0.697 186 N CB -1.045 37.246 38.487 -0.327 0.000 1.097 186 N HN 0.277 nan 8.380 nan 0.000 0.564 187 I N 1.607 122.091 120.570 -0.144 0.000 2.333 187 I HA -0.115 4.061 4.170 0.010 0.000 0.246 187 I C 2.137 178.098 176.117 -0.261 0.000 1.106 187 I CA 1.204 62.422 61.300 -0.135 0.000 1.411 187 I CB 0.153 38.101 38.000 -0.086 0.000 1.082 187 I HN 0.232 nan 8.210 nan 0.000 0.420 188 E N 1.035 121.001 120.200 -0.390 0.000 2.047 188 E HA -0.303 4.052 4.350 0.010 0.000 0.191 188 E C 2.156 178.271 176.600 -0.808 0.000 0.987 188 E CA 1.053 57.027 56.400 -0.711 0.000 0.799 188 E CB -0.570 28.676 29.700 -0.756 0.000 0.752 188 E HN 0.425 nan 8.360 nan 0.000 0.449 189 R N 1.586 121.664 120.500 -0.704 0.000 2.117 189 R HA -0.157 4.188 4.340 0.010 0.000 0.243 189 R C 2.123 178.351 176.300 -0.119 0.000 1.143 189 R CA 1.592 57.524 56.100 -0.281 0.000 0.968 189 R CB -0.229 30.006 30.300 -0.108 0.000 0.863 189 R HN 0.113 nan 8.270 nan 0.000 0.444 190 V N 0.617 120.450 119.914 -0.135 0.000 2.407 190 V HA -0.145 3.981 4.120 0.010 0.000 0.245 190 V C 2.159 178.183 176.094 -0.117 0.000 1.041 190 V CA 0.934 63.209 62.300 -0.042 0.000 1.040 190 V CB -0.364 31.498 31.823 0.064 0.000 0.671 190 V HN 0.268 nan 8.190 nan 0.000 0.455 191 L N -0.605 120.489 121.223 -0.216 0.000 2.131 191 L HA -0.156 4.190 4.340 0.010 0.000 0.210 191 L C 2.185 178.942 176.870 -0.189 0.000 1.092 191 L CA 2.001 56.707 54.840 -0.224 0.000 0.759 191 L CB -1.015 40.822 42.059 -0.369 0.000 0.903 191 L HN 0.574 nan 8.230 nan 0.000 0.435 192 Y N 0.168 120.218 120.300 -0.416 0.000 2.301 192 Y HA -0.147 4.408 4.550 0.009 0.000 0.295 192 Y C 2.331 178.169 175.900 -0.103 0.000 1.119 192 Y CA 1.286 59.260 58.100 -0.210 0.000 1.162 192 Y CB 0.132 38.482 38.460 -0.184 0.000 1.046 192 Y HN 0.423 nan 8.280 nan 0.000 0.538 193 Q N -1.108 118.457 119.800 -0.391 0.000 2.319 193 Q HA 0.154 4.500 4.340 0.010 0.000 0.202 193 Q C -0.035 175.771 176.000 -0.324 0.000 0.896 193 Q CA 0.010 55.509 55.803 -0.508 0.000 0.942 193 Q CB -0.115 28.365 28.738 -0.430 0.000 1.083 193 Q HN 0.333 nan 8.270 nan 0.000 0.510 194 C N 2.854 122.028 119.300 -0.211 0.000 2.560 194 C HA 0.485 4.951 4.460 0.010 0.000 0.506 194 C C 0.197 175.122 174.990 -0.107 0.000 1.116 194 C CA -0.813 58.115 59.018 -0.150 0.000 1.425 194 C CB -1.186 26.488 27.740 -0.110 0.000 1.543 194 C HN 0.426 nan 8.230 nan 0.000 0.586 195 V N 0.767 120.611 119.914 -0.115 0.000 2.914 195 V HA 0.785 4.911 4.120 0.010 0.000 0.314 195 V C 0.215 176.315 176.094 0.011 0.000 1.084 195 V CA -0.542 61.739 62.300 -0.032 0.000 0.963 195 V CB 1.555 33.380 31.823 0.004 0.000 1.025 195 V HN 0.448 nan 8.190 nan 0.000 0.432 196 S N 2.387 118.107 115.700 0.033 0.000 2.563 196 S HA 0.046 4.522 4.470 0.010 0.000 0.269 196 S C 1.332 175.988 174.600 0.094 0.000 1.364 196 S CA 0.789 59.007 58.200 0.029 0.000 1.010 196 S CB 0.818 64.023 63.200 0.008 0.000 0.877 196 S HN 1.112 nan 8.310 nan 0.000 0.549 197 S N 1.698 117.426 115.700 0.046 0.000 2.423 197 S HA -0.092 4.384 4.470 0.010 0.000 0.231 197 S C 1.360 175.915 174.600 -0.074 0.000 1.014 197 S CA 1.423 59.650 58.200 0.045 0.000 0.965 197 S CB -0.786 62.412 63.200 -0.003 0.000 0.785 197 S HN 0.920 nan 8.310 nan 0.000 0.495 198 N N 0.418 119.079 118.700 -0.066 0.000 2.370 198 N HA 0.261 5.007 4.740 0.010 0.000 0.198 198 N C 0.916 176.368 175.510 -0.096 0.000 1.156 198 N CA 0.516 53.498 53.050 -0.114 0.000 0.839 198 N CB -0.214 38.230 38.487 -0.071 0.000 0.989 198 N HN 0.205 nan 8.380 nan 0.000 0.468 199 G N 0.483 109.272 108.800 -0.018 0.000 2.296 199 G HA2 -0.374 3.591 3.960 0.010 0.000 0.282 199 G HA3 -0.374 3.591 3.960 0.010 0.000 0.282 199 G C 0.795 175.729 174.900 0.056 0.000 1.014 199 G CA 0.936 46.095 45.100 0.098 0.000 0.812 199 G HN 0.508 nan 8.290 nan 0.000 0.508 200 K N -1.084 119.332 120.400 0.026 0.000 2.348 200 K HA 0.123 4.449 4.320 0.010 0.000 0.194 200 K C 1.230 177.842 176.600 0.020 0.000 1.052 200 K CA 0.024 56.321 56.287 0.017 0.000 1.004 200 K CB 0.662 33.161 32.500 -0.002 0.000 0.873 200 K HN 0.336 nan 8.250 nan 0.000 0.523 201 R N 1.468 121.978 120.500 0.018 0.000 2.502 201 R HA 0.174 4.520 4.340 0.010 0.000 0.300 201 R C -0.894 175.410 176.300 0.007 0.000 0.984 201 R CA -0.135 55.968 56.100 0.004 0.000 0.882 201 R CB 1.627 31.915 30.300 -0.021 0.000 1.180 201 R HN 0.034 nan 8.270 nan 0.000 0.444 202 S N 4.093 119.800 115.700 0.012 0.000 2.776 202 S HA 0.517 4.993 4.470 0.010 0.000 0.306 202 S C 0.117 174.712 174.600 -0.008 0.000 1.114 202 S CA -0.930 57.275 58.200 0.009 0.000 0.973 202 S CB 0.846 64.074 63.200 0.046 0.000 1.250 202 S HN 0.497 nan 8.310 nan 0.000 0.549 203 L N 1.284 122.503 121.223 -0.007 0.000 2.453 203 L HA 0.203 4.549 4.340 0.010 0.000 0.272 203 L C 0.388 177.257 176.870 -0.002 0.000 1.182 203 L CA -0.104 54.728 54.840 -0.015 0.000 0.858 203 L CB 0.184 42.238 42.059 -0.008 0.000 1.120 203 L HN 0.769 nan 8.230 nan 0.000 0.474 204 D N 1.138 121.516 120.400 -0.037 0.000 2.323 204 D HA 0.160 4.806 4.640 0.010 0.000 0.209 204 D C 0.707 177.031 176.300 0.040 0.000 0.973 204 D CA 0.738 54.718 54.000 -0.034 0.000 0.874 204 D CB 0.448 41.146 40.800 -0.169 0.000 0.930 204 D HN 0.702 nan 8.370 nan 0.000 0.521 205 G N -0.769 108.066 108.800 0.058 0.000 2.356 205 G HA2 0.419 4.384 3.960 0.010 0.000 0.294 205 G HA3 0.419 4.384 3.960 0.010 0.000 0.294 205 G C -1.672 173.299 174.900 0.117 0.000 1.423 205 G CA -0.935 44.232 45.100 0.111 0.000 0.806 205 G HN -0.008 nan 8.290 nan 0.000 0.527 206 I N -0.341 120.301 120.570 0.121 0.000 2.525 206 I HA 0.407 4.583 4.170 0.010 0.000 0.301 206 I C -0.184 176.011 176.117 0.130 0.000 0.992 206 I CA -0.707 60.651 61.300 0.097 0.000 1.162 206 I CB 2.030 40.057 38.000 0.045 0.000 1.332 206 I HN 0.373 nan 8.210 nan 0.000 0.458 207 C N 5.687 125.030 119.300 0.072 0.000 2.273 207 C HA 0.513 4.979 4.460 0.010 0.000 0.328 207 C C 0.304 175.248 174.990 -0.076 0.000 1.275 207 C CA -0.600 58.401 59.018 -0.029 0.000 1.704 207 C CB 0.213 27.894 27.740 -0.097 0.000 2.326 207 C HN 0.511 nan 8.230 nan 0.000 0.517 208 V N 3.638 123.498 119.914 -0.090 0.000 2.581 208 V HA 0.845 4.971 4.120 0.010 0.000 0.303 208 V C -0.236 175.790 176.094 -0.114 0.000 1.041 208 V CA -0.322 61.906 62.300 -0.119 0.000 0.907 208 V CB 1.371 33.137 31.823 -0.096 0.000 0.994 208 V HN 0.607 nan 8.190 nan 0.000 0.442 209 V N 2.401 122.247 119.914 -0.114 0.000 3.938 209 V HA 0.049 4.174 4.120 0.010 0.000 0.193 209 V C 2.253 178.330 176.094 -0.028 0.000 1.148 209 V CA 1.271 63.528 62.300 -0.072 0.000 1.354 209 V CB 0.502 32.286 31.823 -0.065 0.000 1.627 209 V HN 0.985 nan 8.190 nan 0.000 0.512 210 S N 0.431 116.139 115.700 0.014 0.000 2.488 210 S HA -0.229 4.247 4.470 0.010 0.000 0.246 210 S C 1.262 175.916 174.600 0.091 0.000 0.992 210 S CA 1.901 60.146 58.200 0.075 0.000 0.963 210 S CB -0.305 62.989 63.200 0.157 0.000 0.754 210 S HN 0.659 nan 8.310 nan 0.000 0.519 211 D N 0.452 120.892 120.400 0.067 0.000 2.366 211 D HA 0.283 4.929 4.640 0.010 0.000 0.205 211 D C 1.423 177.742 176.300 0.030 0.000 1.022 211 D CA 0.231 54.281 54.000 0.084 0.000 0.868 211 D CB 0.048 40.908 40.800 0.100 0.000 0.953 211 D HN 0.417 nan 8.370 nan 0.000 0.514 212 I N -0.189 120.383 120.570 0.003 0.000 3.172 212 I HA -0.053 4.123 4.170 0.010 0.000 0.278 212 I C 1.684 177.797 176.117 -0.006 0.000 1.174 212 I CA -0.031 61.266 61.300 -0.006 0.000 1.445 212 I CB 0.475 38.463 38.000 -0.019 0.000 1.175 212 I HN -0.043 nan 8.210 nan 0.000 0.447 213 I N 1.597 122.163 120.570 -0.007 0.000 2.133 213 I HA -0.191 3.984 4.170 0.010 0.000 0.238 213 I C 2.448 178.566 176.117 0.002 0.000 1.074 213 I CA 1.619 62.916 61.300 -0.006 0.000 1.342 213 I CB -1.263 36.731 38.000 -0.010 0.000 1.053 213 I HN 0.098 nan 8.210 nan 0.000 0.404 214 A N 0.155 122.980 122.820 0.008 0.000 2.291 214 A HA 0.051 4.376 4.320 0.010 0.000 0.220 214 A C 1.211 178.799 177.584 0.007 0.000 1.262 214 A CA 0.164 52.205 52.037 0.008 0.000 0.867 214 A CB -0.585 18.421 19.000 0.010 0.000 0.888 214 A HN 0.340 nan 8.150 nan 0.000 0.487 215 S N -0.252 115.453 115.700 0.008 0.000 2.545 215 S HA 0.378 4.854 4.470 0.010 0.000 0.275 215 S C 0.885 175.488 174.600 0.004 0.000 1.299 215 S CA -0.617 57.587 58.200 0.007 0.000 1.048 215 S CB 0.226 63.431 63.200 0.008 0.000 0.938 215 S HN 0.392 nan 8.310 nan 0.000 0.496 216 L N 2.813 124.038 121.223 0.003 0.000 2.610 216 L HA 0.295 4.641 4.340 0.010 0.000 0.232 216 L C 0.535 177.407 176.870 0.004 0.000 1.149 216 L CA 0.320 55.162 54.840 0.003 0.000 0.872 216 L CB -0.320 41.740 42.059 0.001 0.000 0.992 216 L HN 0.563 nan 8.230 nan 0.000 0.447 217 D N -0.377 120.026 120.400 0.004 0.000 2.978 217 D HA 0.278 4.924 4.640 0.010 0.000 0.268 217 D C 0.952 177.254 176.300 0.003 0.000 1.252 217 D CA 0.068 54.071 54.000 0.004 0.000 0.771 217 D CB 0.879 41.681 40.800 0.005 0.000 1.361 217 D HN 0.000 nan 8.370 nan 0.000 0.558 218 A N 1.432 124.252 122.820 -0.000 0.000 1.986 218 A HA -0.063 4.262 4.320 0.010 0.000 0.220 218 A C 2.295 179.875 177.584 -0.008 0.000 1.171 218 A CA 2.093 54.126 52.037 -0.006 0.000 0.640 218 A CB -0.433 18.559 19.000 -0.013 0.000 0.811 218 A HN 0.555 nan 8.150 nan 0.000 0.451 219 A N -0.264 122.553 122.820 -0.005 0.000 1.892 219 A HA -0.253 4.073 4.320 0.010 0.000 0.218 219 A C 2.170 179.755 177.584 0.001 0.000 1.188 219 A CA 2.238 54.273 52.037 -0.003 0.000 0.631 219 A CB -0.418 18.584 19.000 0.003 0.000 0.822 219 A HN 0.585 nan 8.150 nan 0.000 0.447 220 K N -1.259 119.143 120.400 0.003 0.000 2.262 220 K HA 0.065 4.391 4.320 0.010 0.000 0.200 220 K C 2.092 178.696 176.600 0.007 0.000 1.049 220 K CA 0.972 57.263 56.287 0.006 0.000 0.979 220 K CB -0.045 32.459 32.500 0.006 0.000 0.773 220 K HN 0.371 nan 8.250 nan 0.000 0.474 221 S N 0.315 116.018 115.700 0.006 0.000 2.383 221 S HA -0.083 4.393 4.470 0.010 0.000 0.227 221 S C 1.652 176.256 174.600 0.006 0.000 1.026 221 S CA 1.565 59.770 58.200 0.008 0.000 0.981 221 S CB -0.134 63.072 63.200 0.010 0.000 0.818 221 S HN 0.412 nan 8.310 nan 0.000 0.472 222 T N 2.080 116.634 114.554 0.001 0.000 2.821 222 T HA -0.039 4.317 4.350 0.010 0.000 0.267 222 T C 1.753 176.457 174.700 0.006 0.000 1.046 222 T CA 1.079 63.178 62.100 -0.000 0.000 1.139 222 T CB -0.116 68.746 68.868 -0.010 0.000 0.871 222 T HN 0.407 nan 8.240 nan 0.000 0.454 223 K N 0.793 121.198 120.400 0.008 0.000 2.009 223 K HA 0.025 4.350 4.320 0.010 0.000 0.210 223 K C 2.194 178.803 176.600 0.015 0.000 1.049 223 K CA 1.242 57.536 56.287 0.012 0.000 0.929 223 K CB -0.341 32.166 32.500 0.012 0.000 0.714 223 K HN 0.261 nan 8.250 nan 0.000 0.440 224 I N 1.257 121.836 120.570 0.015 0.000 2.335 224 I HA -0.285 3.891 4.170 0.010 0.000 0.251 224 I C 2.078 178.207 176.117 0.019 0.000 1.129 224 I CA 1.194 62.504 61.300 0.017 0.000 1.402 224 I CB -0.099 37.910 38.000 0.015 0.000 1.069 224 I HN 0.207 nan 8.210 nan 0.000 0.424 225 L N -0.559 120.674 121.223 0.017 0.000 2.179 225 L HA -0.128 4.218 4.340 0.010 0.000 0.208 225 L C 2.691 179.576 176.870 0.026 0.000 1.096 225 L CA 0.495 55.345 54.840 0.017 0.000 0.779 225 L CB -0.532 41.532 42.059 0.009 0.000 0.922 225 L HN 0.172 nan 8.230 nan 0.000 0.443 226 R N 0.692 121.207 120.500 0.026 0.000 2.088 226 R HA -0.116 4.230 4.340 0.010 0.000 0.232 226 R C 2.254 178.577 176.300 0.039 0.000 1.136 226 R CA 1.539 57.658 56.100 0.032 0.000 0.926 226 R CB -1.465 28.850 30.300 0.025 0.000 0.837 226 R HN 0.370 nan 8.270 nan 0.000 0.429 227 G N 1.435 110.255 108.800 0.034 0.000 2.679 227 G HA2 -0.299 3.667 3.960 0.010 0.000 0.222 227 G HA3 -0.299 3.667 3.960 0.010 0.000 0.222 227 G C 1.299 176.233 174.900 0.057 0.000 1.164 227 G CA 1.458 46.581 45.100 0.038 0.000 0.769 227 G HN 0.230 nan 8.290 nan 0.000 0.610 228 L N 0.263 121.523 121.223 0.062 0.000 2.072 228 L HA 0.219 4.565 4.340 0.010 0.000 0.205 228 L C 2.818 179.778 176.870 0.150 0.000 1.079 228 L CA 0.733 55.629 54.840 0.094 0.000 0.752 228 L CB -0.729 41.355 42.059 0.042 0.000 0.906 228 L HN 0.229 nan 8.230 nan 0.000 0.436 229 I N 0.264 120.898 120.570 0.107 0.000 2.394 229 I HA -0.236 3.940 4.170 0.010 0.000 0.251 229 I C 1.102 177.308 176.117 0.148 0.000 1.136 229 I CA 1.370 62.746 61.300 0.127 0.000 1.425 229 I CB -0.153 37.894 38.000 0.080 0.000 1.079 229 I HN 0.419 nan 8.210 nan 0.000 0.425 230 D N -1.012 119.446 120.400 0.096 0.000 2.469 230 D HA 0.048 4.694 4.640 0.010 0.000 0.213 230 D C 0.815 177.121 176.300 0.010 0.000 1.135 230 D CA -0.315 53.719 54.000 0.058 0.000 0.834 230 D CB -0.075 40.751 40.800 0.042 0.000 1.009 230 D HN 0.037 nan 8.370 nan 0.000 0.507 231 K N 0.043 120.453 120.400 0.018 0.000 2.185 231 K HA 0.166 4.491 4.320 0.010 0.000 0.245 231 K C 0.268 176.727 176.600 -0.235 0.000 1.035 231 K CA 0.590 56.849 56.287 -0.047 0.000 0.847 231 K CB 0.429 32.939 32.500 0.017 0.000 1.056 231 K HN -0.005 nan 8.250 nan 0.000 0.518 232 T N 0.131 114.460 114.554 -0.374 0.000 3.684 232 T HA 0.146 4.502 4.350 0.010 0.000 0.317 232 T C -1.743 172.624 174.700 -0.556 0.000 0.922 232 T CA -0.461 61.238 62.100 -0.668 0.000 0.999 232 T CB 0.045 68.725 68.868 -0.314 0.000 1.204 232 T HN 0.580 nan 8.240 nan 0.000 0.534 233 D N 1.300 121.493 120.400 -0.345 0.000 2.386 233 D HA 0.265 4.911 4.640 0.010 0.000 0.247 233 D C -1.616 174.791 176.300 0.179 0.000 1.336 233 D CA -0.355 53.610 54.000 -0.058 0.000 0.976 233 D CB 0.705 41.485 40.800 -0.033 0.000 1.257 233 D HN 0.151 nan 8.370 nan 0.000 0.570 234 Y N 3.842 124.196 120.300 0.091 0.000 2.691 234 Y HA 0.277 4.833 4.550 0.010 0.000 0.338 234 Y C -0.073 175.814 175.900 -0.021 0.000 1.148 234 Y CA -0.885 57.246 58.100 0.051 0.000 1.430 234 Y CB 0.297 38.660 38.460 -0.160 0.000 1.303 234 Y HN 0.079 nan 8.280 nan 0.000 0.499 235 K N 7.015 127.415 120.400 -0.000 0.000 2.449 235 K HA -0.016 4.310 4.320 0.010 0.000 0.237 235 K C 0.830 177.216 176.600 -0.356 0.000 1.265 235 K CA 0.001 56.165 56.287 -0.205 0.000 1.193 235 K CB -1.022 31.415 32.500 -0.105 0.000 1.515 235 K HN 0.731 nan 8.250 nan 0.000 0.259 236 F N -0.824 118.713 119.950 -0.688 0.000 2.365 236 F HA 0.009 4.541 4.527 0.009 0.000 0.300 236 F C 0.617 176.261 175.800 -0.260 0.000 1.090 236 F CA -0.268 57.302 58.000 -0.717 0.000 1.408 236 F CB 0.098 38.410 39.000 -1.147 0.000 1.060 236 F HN -0.071 nan 8.300 nan 0.000 0.534 237 V N 1.356 120.826 119.914 -0.741 0.000 2.760 237 V HA 0.340 4.466 4.120 0.010 0.000 0.309 237 V C -0.513 175.388 176.094 -0.321 0.000 1.077 237 V CA -0.969 61.090 62.300 -0.400 0.000 0.910 237 V CB 1.677 33.269 31.823 -0.385 0.000 1.008 237 V HN 0.161 nan 8.190 nan 0.000 0.424 238 N N 5.327 123.932 118.700 -0.158 0.000 2.926 238 N HA 0.286 5.032 4.740 0.010 0.000 0.284 238 N C -0.578 174.876 175.510 -0.094 0.000 1.303 238 N CA 0.402 53.383 53.050 -0.114 0.000 1.062 238 N CB -0.779 37.665 38.487 -0.073 0.000 1.389 238 N HN 0.618 nan 8.380 nan 0.000 0.538 239 I N -1.393 119.098 120.570 -0.133 0.000 2.865 239 I HA 0.336 4.512 4.170 0.010 0.000 0.302 239 I C 0.653 176.716 176.117 -0.091 0.000 1.140 239 I CA -1.617 59.634 61.300 -0.081 0.000 1.021 239 I CB 2.067 40.035 38.000 -0.054 0.000 1.233 239 I HN 0.013 nan 8.210 nan 0.000 0.427 240 G N 4.103 112.880 108.800 -0.037 0.000 2.254 240 G HA2 0.247 4.213 3.960 0.010 0.000 0.253 240 G HA3 0.247 4.213 3.960 0.010 0.000 0.253 240 G C 0.361 175.244 174.900 -0.030 0.000 1.246 240 G CA -0.053 45.032 45.100 -0.025 0.000 0.946 240 G HN 0.600 nan 8.290 nan 0.000 0.474 241 L N 2.484 123.681 121.223 -0.044 0.000 2.693 241 L HA 0.092 4.438 4.340 0.010 0.000 0.235 241 L C 1.328 178.201 176.870 0.003 0.000 1.127 241 L CA -0.182 54.640 54.840 -0.030 0.000 0.914 241 L CB -0.173 41.846 42.059 -0.065 0.000 1.193 241 L HN 0.582 nan 8.230 nan 0.000 0.502 242 S N -0.123 115.582 115.700 0.007 0.000 2.599 242 S HA -0.067 4.408 4.470 0.010 0.000 0.303 242 S C 0.546 175.156 174.600 0.017 0.000 1.267 242 S CA -0.183 58.029 58.200 0.020 0.000 1.055 242 S CB 0.044 63.262 63.200 0.030 0.000 0.790 242 S HN 0.130 nan 8.310 nan 0.000 0.500 243 T N 4.901 119.468 114.554 0.022 0.000 2.754 243 T HA 0.112 4.468 4.350 0.010 0.000 0.282 243 T C 0.303 175.027 174.700 0.041 0.000 0.923 243 T CA -0.144 61.961 62.100 0.009 0.000 1.164 243 T CB -0.161 68.720 68.868 0.021 0.000 0.873 243 T HN 0.371 nan 8.240 nan 0.000 0.537 244 K N 3.419 123.852 120.400 0.054 0.000 2.172 244 K HA 0.320 4.646 4.320 0.010 0.000 0.276 244 K C 0.682 177.417 176.600 0.225 0.000 1.013 244 K CA -0.529 55.846 56.287 0.146 0.000 0.913 244 K CB 1.456 33.992 32.500 0.060 0.000 1.055 244 K HN 0.328 nan 8.250 nan 0.000 0.461 245 N N -0.374 118.465 118.700 0.233 0.000 2.419 245 N HA 0.040 4.786 4.740 0.010 0.000 0.216 245 N C -0.438 175.251 175.510 0.298 0.000 1.118 245 N CA 0.249 53.446 53.050 0.245 0.000 0.850 245 N CB 0.606 39.189 38.487 0.160 0.000 1.292 245 N HN 0.309 nan 8.380 nan 0.000 0.467 246 S N 1.848 117.701 115.700 0.255 0.000 2.565 246 S HA 0.239 4.714 4.470 0.010 0.000 0.276 246 S C 0.012 174.745 174.600 0.221 0.000 1.326 246 S CA -0.554 57.781 58.200 0.225 0.000 1.045 246 S CB 0.565 63.854 63.200 0.149 0.000 0.918 246 S HN 0.100 nan 8.310 nan 0.000 0.505 247 L N 2.816 124.128 121.223 0.149 0.000 2.529 247 L HA 0.027 4.372 4.340 0.010 0.000 0.287 247 L C 1.198 178.040 176.870 -0.046 0.000 1.241 247 L CA 0.740 55.598 54.840 0.030 0.000 0.857 247 L CB -0.900 41.150 42.059 -0.015 0.000 1.113 247 L HN 0.637 nan 8.230 nan 0.000 0.504 248 T N 1.962 116.439 114.554 -0.128 0.000 2.905 248 T HA 0.128 4.484 4.350 0.010 0.000 0.299 248 T C 0.714 175.273 174.700 -0.235 0.000 1.024 248 T CA -0.019 61.876 62.100 -0.341 0.000 1.151 248 T CB 0.157 68.879 68.868 -0.244 0.000 0.987 248 T HN 0.812 nan 8.240 nan 0.000 0.535 249 T N 0.447 114.840 114.554 -0.268 0.000 2.934 249 T HA 0.270 4.626 4.350 0.010 0.000 0.283 249 T C 1.600 176.191 174.700 -0.182 0.000 1.005 249 T CA -0.754 61.241 62.100 -0.176 0.000 1.041 249 T CB 1.330 70.114 68.868 -0.140 0.000 1.042 249 T HN 0.393 nan 8.240 nan 0.000 0.505 250 T N 1.139 115.591 114.554 -0.170 0.000 2.833 250 T HA -0.091 4.265 4.350 0.010 0.000 0.269 250 T C 1.425 176.004 174.700 -0.202 0.000 1.054 250 T CA 1.450 63.420 62.100 -0.217 0.000 1.135 250 T CB -0.538 68.201 68.868 -0.215 0.000 0.869 250 T HN 0.676 nan 8.240 nan 0.000 0.466 251 D N 0.898 121.207 120.400 -0.152 0.000 2.178 251 D HA -0.074 4.572 4.640 0.010 0.000 0.201 251 D C 2.073 178.303 176.300 -0.118 0.000 0.980 251 D CA 1.032 54.959 54.000 -0.122 0.000 0.842 251 D CB 0.012 40.757 40.800 -0.092 0.000 0.948 251 D HN 0.587 nan 8.370 nan 0.000 0.472 252 E N 0.415 120.531 120.200 -0.140 0.000 2.042 252 E HA 0.014 4.370 4.350 0.010 0.000 0.189 252 E C 2.388 178.924 176.600 -0.107 0.000 0.974 252 E CA 0.167 56.488 56.400 -0.131 0.000 0.806 252 E CB 0.088 29.656 29.700 -0.221 0.000 0.769 252 E HN 0.224 nan 8.360 nan 0.000 0.451 253 I N 1.626 122.116 120.570 -0.133 0.000 2.530 253 I HA -0.299 3.877 4.170 0.010 0.000 0.257 253 I C 2.658 178.725 176.117 -0.084 0.000 1.179 253 I CA 1.149 62.398 61.300 -0.085 0.000 1.440 253 I CB -0.344 37.586 38.000 -0.117 0.000 1.087 253 I HN 0.219 nan 8.210 nan 0.000 0.440 254 Q N 0.470 120.188 119.800 -0.136 0.000 2.089 254 Q HA -0.160 4.186 4.340 0.010 0.000 0.195 254 Q C 2.376 178.344 176.000 -0.053 0.000 0.963 254 Q CA 1.609 57.340 55.803 -0.119 0.000 0.834 254 Q CB 0.076 28.723 28.738 -0.152 0.000 0.906 254 Q HN 0.303 nan 8.270 nan 0.000 0.452 255 S N 0.052 115.723 115.700 -0.048 0.000 2.383 255 S HA -0.075 4.401 4.470 0.010 0.000 0.227 255 S C 1.932 176.531 174.600 -0.002 0.000 1.026 255 S CA 0.758 58.944 58.200 -0.023 0.000 0.981 255 S CB -0.194 62.993 63.200 -0.022 0.000 0.818 255 S HN 0.399 nan 8.310 nan 0.000 0.472 256 I N 2.305 122.878 120.570 0.006 0.000 2.091 256 I HA -0.224 3.952 4.170 0.010 0.000 0.239 256 I C 2.270 178.409 176.117 0.037 0.000 1.061 256 I CA 1.594 62.913 61.300 0.031 0.000 1.317 256 I CB -1.574 36.454 38.000 0.047 0.000 1.031 256 I HN 0.362 nan 8.210 nan 0.000 0.401 257 I N 0.450 121.051 120.570 0.052 0.000 2.163 257 I HA -0.301 3.875 4.170 0.010 0.000 0.243 257 I C 2.622 178.758 176.117 0.031 0.000 1.085 257 I CA 1.435 62.774 61.300 0.064 0.000 1.347 257 I CB -0.510 37.556 38.000 0.111 0.000 1.044 257 I HN 0.174 nan 8.210 nan 0.000 0.408 258 S N 0.650 116.359 115.700 0.014 0.000 2.419 258 S HA -0.149 4.326 4.470 0.010 0.000 0.235 258 S C 1.758 176.354 174.600 -0.006 0.000 1.019 258 S CA 1.161 59.361 58.200 0.000 0.000 0.982 258 S CB -0.329 62.865 63.200 -0.010 0.000 0.789 258 S HN 0.436 nan 8.310 nan 0.000 0.490 259 N N 0.894 119.591 118.700 -0.005 0.000 2.173 259 N HA -0.066 4.680 4.740 0.010 0.000 0.184 259 N C 2.149 177.632 175.510 -0.044 0.000 1.025 259 N CA 1.821 54.859 53.050 -0.020 0.000 0.852 259 N CB -0.728 37.757 38.487 -0.004 0.000 0.998 259 N HN 0.591 nan 8.380 nan 0.000 0.427 260 T N -0.410 114.131 114.554 -0.021 0.000 2.962 260 T HA 0.036 4.392 4.350 0.010 0.000 0.270 260 T C 2.141 176.828 174.700 -0.022 0.000 1.088 260 T CA 0.530 62.614 62.100 -0.026 0.000 1.127 260 T CB -0.207 68.669 68.868 0.013 0.000 0.883 260 T HN 0.058 nan 8.240 nan 0.000 0.493 261 L N -0.079 121.139 121.223 -0.009 0.000 2.072 261 L HA 0.178 4.524 4.340 0.010 0.000 0.205 261 L C 3.021 179.880 176.870 -0.019 0.000 1.079 261 L CA 1.259 56.097 54.840 -0.003 0.000 0.752 261 L CB -0.288 41.774 42.059 0.005 0.000 0.906 261 L HN 0.203 nan 8.230 nan 0.000 0.436 262 K N -0.501 119.879 120.400 -0.033 0.000 2.296 262 K HA -0.012 4.313 4.320 0.010 0.000 0.200 262 K C 1.708 178.268 176.600 -0.067 0.000 1.048 262 K CA 0.869 57.133 56.287 -0.037 0.000 0.966 262 K CB 0.222 32.705 32.500 -0.029 0.000 0.754 262 K HN 0.271 nan 8.250 nan 0.000 0.466 263 A N 0.324 123.066 122.820 -0.129 0.000 2.140 263 A HA 0.089 4.415 4.320 0.010 0.000 0.209 263 A C 0.634 178.114 177.584 -0.174 0.000 1.181 263 A CA 0.142 52.026 52.037 -0.254 0.000 0.824 263 A CB 0.068 18.699 19.000 -0.614 0.000 0.879 263 A HN 0.400 nan 8.150 nan 0.000 0.480 264 R N -0.802 119.643 120.500 -0.092 0.000 3.205 264 R HA -0.114 4.232 4.340 0.010 0.000 0.249 264 R C -2.546 173.757 176.300 0.006 0.000 0.937 264 R CA 0.362 56.449 56.100 -0.022 0.000 0.641 264 R CB -1.913 28.388 30.300 0.001 0.000 1.114 264 R HN 0.276 nan 8.270 nan 0.000 0.451 265 P HA -0.073 nan 4.420 nan 0.000 0.267 265 P C -0.437 176.924 177.300 0.102 0.000 1.201 265 P CA -0.183 62.966 63.100 0.082 0.000 0.775 265 P CB 0.457 32.205 31.700 0.080 0.000 0.854 266 L N 4.447 125.751 121.223 0.135 0.000 2.260 266 L HA 0.308 4.654 4.340 0.010 0.000 0.289 266 L C -0.955 176.001 176.870 0.144 0.000 1.057 266 L CA -0.149 54.769 54.840 0.129 0.000 0.811 266 L CB 0.611 42.747 42.059 0.127 0.000 1.184 266 L HN 0.018 nan 8.230 nan 0.000 0.429 267 V N 6.011 126.010 119.914 0.142 0.000 2.313 267 V HA 0.333 4.459 4.120 0.010 0.000 0.278 267 V C 0.101 176.310 176.094 0.191 0.000 1.017 267 V CA -0.529 61.852 62.300 0.134 0.000 0.823 267 V CB 1.081 33.005 31.823 0.169 0.000 1.010 267 V HN 0.845 nan 8.190 nan 0.000 0.443 268 Q N 3.478 123.349 119.800 0.119 0.000 2.288 268 Q HA 0.284 4.630 4.340 0.010 0.000 0.254 268 Q C -1.003 175.020 176.000 0.040 0.000 0.932 268 Q CA -0.330 55.556 55.803 0.139 0.000 0.902 268 Q CB 0.614 29.452 28.738 0.168 0.000 1.203 268 Q HN 0.783 nan 8.270 nan 0.000 0.415 269 H N 3.837 122.918 119.070 0.019 0.000 2.697 269 H HA 0.327 4.889 4.556 0.010 0.000 0.270 269 H C -0.997 174.349 175.328 0.030 0.000 1.188 269 H CA -0.397 55.661 56.048 0.017 0.000 1.322 269 H CB 0.331 30.095 29.762 0.002 0.000 1.405 269 H HN 0.542 nan 8.280 nan 0.000 0.502 270 I N 2.770 123.384 120.570 0.074 0.000 2.322 270 I HA 0.244 4.420 4.170 0.010 0.000 0.292 270 I C 0.505 176.680 176.117 0.097 0.000 1.060 270 I CA 0.361 61.710 61.300 0.082 0.000 1.309 270 I CB 0.614 38.650 38.000 0.059 0.000 1.415 270 I HN 0.482 nan 8.210 nan 0.000 0.492 271 T N 4.102 118.734 114.554 0.130 0.000 2.885 271 T HA 0.378 4.734 4.350 0.010 0.000 0.322 271 T C -0.526 174.252 174.700 0.131 0.000 1.387 271 T CA -1.024 61.171 62.100 0.159 0.000 1.041 271 T CB 0.789 69.855 68.868 0.329 0.000 1.287 271 T HN 0.615 nan 8.240 nan 0.000 0.491 272 N N 2.229 120.998 118.700 0.115 0.000 2.174 272 N HA 0.202 4.948 4.740 0.010 0.000 0.215 272 N C 1.296 176.866 175.510 0.100 0.000 1.322 272 N CA 0.692 53.797 53.050 0.091 0.000 0.880 272 N CB 0.141 38.670 38.487 0.069 0.000 1.090 272 N HN 0.862 nan 8.380 nan 0.000 0.436 273 K N -0.343 120.101 120.400 0.074 0.000 2.228 273 K HA 0.041 4.367 4.320 0.010 0.000 0.202 273 K C 2.077 178.718 176.600 0.070 0.000 1.051 273 K CA 1.489 57.813 56.287 0.061 0.000 0.960 273 K CB -1.340 31.186 32.500 0.043 0.000 0.743 273 K HN 0.590 nan 8.250 nan 0.000 0.458 274 V N -1.782 118.186 119.914 0.091 0.000 2.379 274 V HA -0.181 3.945 4.120 0.010 0.000 0.245 274 V C 2.234 178.431 176.094 0.172 0.000 1.044 274 V CA 2.006 64.370 62.300 0.107 0.000 1.036 274 V CB -0.952 30.933 31.823 0.103 0.000 0.664 274 V HN 0.767 nan 8.190 nan 0.000 0.453 275 H N -0.534 118.595 119.070 0.099 0.000 2.556 275 H HA 0.036 4.598 4.556 0.010 0.000 0.268 275 H C 2.076 177.459 175.328 0.092 0.000 0.996 275 H CA 0.528 56.653 56.048 0.129 0.000 1.157 275 H CB 0.210 30.023 29.762 0.084 0.000 1.355 275 H HN 0.500 nan 8.280 nan 0.000 0.597 276 Q N 0.914 120.693 119.800 -0.034 0.000 2.030 276 Q HA -0.173 4.172 4.340 0.010 0.000 0.204 276 Q C 1.892 177.800 176.000 -0.155 0.000 0.986 276 Q CA 1.719 57.456 55.803 -0.110 0.000 0.843 276 Q CB -0.241 28.482 28.738 -0.025 0.000 0.904 276 Q HN 0.548 nan 8.270 nan 0.000 0.420 277 N N -0.387 118.280 118.700 -0.054 0.000 2.251 277 N HA -0.106 4.640 4.740 0.010 0.000 0.181 277 N C 1.521 177.051 175.510 0.033 0.000 1.019 277 N CA 0.276 53.308 53.050 -0.029 0.000 0.862 277 N CB -0.153 38.334 38.487 -0.000 0.000 0.992 277 N HN 0.025 nan 8.380 nan 0.000 0.429 278 F N 1.579 121.465 119.950 -0.106 0.000 2.005 278 F HA -0.065 4.468 4.527 0.010 0.000 0.297 278 F C 2.218 177.957 175.800 -0.102 0.000 1.175 278 F CA 2.027 60.000 58.000 -0.046 0.000 1.192 278 F CB -1.263 37.777 39.000 0.067 0.000 0.953 278 F HN 0.122 nan 8.300 nan 0.000 0.504 279 G N -0.738 107.866 108.800 -0.327 0.000 2.527 279 G HA2 -0.045 3.920 3.960 0.010 0.000 0.219 279 G HA3 -0.045 3.920 3.960 0.010 0.000 0.219 279 G C 1.715 176.370 174.900 -0.409 0.000 1.117 279 G CA 0.952 45.794 45.100 -0.429 0.000 0.759 279 G HN 0.718 nan 8.290 nan 0.000 0.556 280 A N 1.574 124.178 122.820 -0.359 0.000 1.858 280 A HA -0.095 4.231 4.320 0.010 0.000 0.216 280 A C 2.187 179.688 177.584 -0.139 0.000 1.190 280 A CA 1.802 53.670 52.037 -0.281 0.000 0.617 280 A CB -0.585 18.304 19.000 -0.186 0.000 0.827 280 A HN 0.480 nan 8.150 nan 0.000 0.443 281 N N -0.063 118.606 118.700 -0.052 0.000 2.058 281 N HA -0.104 4.641 4.740 0.010 0.000 0.191 281 N C 1.409 176.930 175.510 0.017 0.000 1.037 281 N CA 1.451 54.502 53.050 0.000 0.000 0.848 281 N CB -0.347 38.171 38.487 0.052 0.000 1.021 281 N HN 0.193 nan 8.380 nan 0.000 0.422 282 V N 0.949 120.879 119.914 0.026 0.000 2.636 282 V HA -0.258 3.868 4.120 0.010 0.000 0.258 282 V C 1.880 177.995 176.094 0.034 0.000 1.092 282 V CA 1.741 64.058 62.300 0.027 0.000 1.110 282 V CB -0.944 30.846 31.823 -0.056 0.000 0.685 282 V HN 0.463 nan 8.190 nan 0.000 0.481 283 T N 0.974 115.530 114.554 0.004 0.000 2.837 283 T HA 0.051 4.407 4.350 0.010 0.000 0.248 283 T C 1.720 176.444 174.700 0.040 0.000 1.033 283 T CA 1.389 63.510 62.100 0.034 0.000 1.150 283 T CB -0.178 68.703 68.868 0.021 0.000 0.865 283 T HN 0.571 nan 8.240 nan 0.000 0.425 284 L N 0.004 121.237 121.223 0.017 0.000 2.552 284 L HA 0.432 4.778 4.340 0.010 0.000 0.227 284 L C 2.366 179.267 176.870 0.053 0.000 1.146 284 L CA 0.657 55.514 54.840 0.028 0.000 0.858 284 L CB -0.754 41.308 42.059 0.005 0.000 0.969 284 L HN 0.139 nan 8.230 nan 0.000 0.451 285 A N 0.725 123.580 122.820 0.060 0.000 2.072 285 A HA 0.188 4.514 4.320 0.010 0.000 0.216 285 A C 2.026 179.703 177.584 0.156 0.000 1.156 285 A CA 0.415 52.526 52.037 0.123 0.000 0.701 285 A CB -0.270 18.785 19.000 0.092 0.000 0.816 285 A HN 0.474 nan 8.150 nan 0.000 0.458 286 L N -0.468 120.816 121.223 0.101 0.000 2.645 286 L HA 0.170 4.516 4.340 0.010 0.000 0.234 286 L C 1.452 178.369 176.870 0.078 0.000 1.165 286 L CA 0.535 55.427 54.840 0.086 0.000 0.944 286 L CB -0.698 41.405 42.059 0.073 0.000 1.149 286 L HN 0.566 nan 8.230 nan 0.000 0.446 287 G N 0.956 109.811 108.800 0.093 0.000 2.179 287 G HA2 -0.286 3.680 3.960 0.010 0.000 0.257 287 G HA3 -0.286 3.680 3.960 0.010 0.000 0.257 287 G C 0.246 175.177 174.900 0.052 0.000 1.010 287 G CA 0.584 45.729 45.100 0.074 0.000 0.736 287 G HN 0.532 nan 8.290 nan 0.000 0.513 288 S N -1.271 114.461 115.700 0.054 0.000 2.634 288 S HA 0.865 5.340 4.470 0.010 0.000 0.296 288 S C -0.128 174.503 174.600 0.051 0.000 1.104 288 S CA 0.180 58.410 58.200 0.050 0.000 0.920 288 S CB 2.175 65.408 63.200 0.055 0.000 1.111 288 S HN 1.463 nan 8.310 nan 0.000 0.493 289 S N 1.018 116.750 115.700 0.053 0.000 2.585 289 S HA 0.776 5.252 4.470 0.010 0.000 0.277 289 S C -2.995 171.642 174.600 0.061 0.000 1.241 289 S CA -1.321 56.907 58.200 0.046 0.000 1.041 289 S CB 0.729 63.954 63.200 0.042 0.000 0.987 289 S HN 0.675 nan 8.310 nan 0.000 0.512 290 P HA 0.573 nan 4.420 nan 0.000 0.307 290 P C -1.189 176.136 177.300 0.041 0.000 1.412 290 P CA -0.654 62.469 63.100 0.038 0.000 0.985 290 P CB 1.088 32.740 31.700 -0.080 0.000 1.098 291 I N 3.909 124.539 120.570 0.101 0.000 2.378 291 I HA 0.334 4.510 4.170 0.010 0.000 0.291 291 I C 0.100 176.276 176.117 0.099 0.000 0.992 291 I CA -0.909 60.441 61.300 0.085 0.000 1.154 291 I CB 1.888 39.949 38.000 0.102 0.000 1.315 291 I HN 0.141 nan 8.210 nan 0.000 0.448 292 M N 5.599 125.230 119.600 0.052 0.000 3.307 292 M HA 0.163 4.649 4.480 0.010 0.000 0.222 292 M C -0.046 176.289 176.300 0.059 0.000 1.243 292 M CA -0.007 55.326 55.300 0.056 0.000 1.270 292 M CB 0.301 32.902 32.600 0.002 0.000 1.187 292 M HN 0.386 nan 8.290 nan 0.000 0.598 293 S N 0.639 116.386 115.700 0.078 0.000 2.433 293 S HA 0.451 4.926 4.470 0.010 0.000 0.310 293 S C 0.133 174.778 174.600 0.075 0.000 1.097 293 S CA -0.490 57.752 58.200 0.069 0.000 1.103 293 S CB 0.645 63.887 63.200 0.070 0.000 0.992 293 S HN 0.599 nan 8.310 nan 0.000 0.469 294 E N 4.036 124.274 120.200 0.062 0.000 2.939 294 E HA 0.304 4.660 4.350 0.010 0.000 0.215 294 E C -1.044 175.588 176.600 0.053 0.000 1.025 294 E CA -0.078 56.360 56.400 0.063 0.000 1.259 294 E CB 0.398 30.133 29.700 0.060 0.000 1.228 294 E HN 0.568 nan 8.360 nan 0.000 0.443 295 I N 1.226 121.827 120.570 0.051 0.000 2.377 295 I HA 0.070 4.246 4.170 0.010 0.000 0.293 295 I C 1.357 177.499 176.117 0.042 0.000 0.987 295 I CA -0.159 61.166 61.300 0.040 0.000 1.185 295 I CB 1.605 39.625 38.000 0.035 0.000 1.341 295 I HN 0.083 nan 8.210 nan 0.000 0.455 296 Q N 2.538 122.358 119.800 0.033 0.000 1.994 296 Q HA -0.113 4.233 4.340 0.010 0.000 0.198 296 Q C 1.992 178.003 176.000 0.019 0.000 0.976 296 Q CA 1.809 57.629 55.803 0.028 0.000 0.828 296 Q CB 0.083 28.832 28.738 0.019 0.000 0.894 296 Q HN 0.880 nan 8.270 nan 0.000 0.432 297 S N 1.308 117.016 115.700 0.012 0.000 2.421 297 S HA -0.254 4.221 4.470 0.010 0.000 0.239 297 S C 1.589 176.193 174.600 0.006 0.000 1.054 297 S CA 1.631 59.834 58.200 0.006 0.000 1.035 297 S CB -0.334 62.869 63.200 0.006 0.000 0.840 297 S HN 0.374 nan 8.310 nan 0.000 0.475 298 E N 0.710 120.920 120.200 0.016 0.000 2.042 298 E HA -0.068 4.288 4.350 0.010 0.000 0.189 298 E C 2.422 179.029 176.600 0.012 0.000 0.974 298 E CA 1.006 57.416 56.400 0.017 0.000 0.806 298 E CB -0.453 29.265 29.700 0.030 0.000 0.769 298 E HN 0.495 nan 8.360 nan 0.000 0.451 299 V N 1.134 121.066 119.914 0.030 0.000 2.251 299 V HA -0.404 3.722 4.120 0.010 0.000 0.259 299 V C 1.785 177.848 176.094 -0.052 0.000 1.078 299 V CA 2.490 64.809 62.300 0.032 0.000 1.072 299 V CB -1.097 30.766 31.823 0.067 0.000 0.681 299 V HN 0.162 nan 8.190 nan 0.000 0.454 300 N N 0.403 119.074 118.700 -0.048 0.000 2.289 300 N HA -0.136 4.610 4.740 0.010 0.000 0.184 300 N C 1.518 176.976 175.510 -0.086 0.000 1.016 300 N CA 1.644 54.646 53.050 -0.079 0.000 0.872 300 N CB -0.516 37.940 38.487 -0.052 0.000 0.973 300 N HN 0.701 nan 8.380 nan 0.000 0.433 301 D N -0.493 119.873 120.400 -0.056 0.000 2.123 301 D HA -0.061 4.585 4.640 0.010 0.000 0.200 301 D C 1.701 177.970 176.300 -0.052 0.000 0.976 301 D CA 0.569 54.543 54.000 -0.044 0.000 0.831 301 D CB 0.039 40.828 40.800 -0.018 0.000 0.974 301 D HN 0.123 nan 8.370 nan 0.000 0.469 302 L N 1.344 122.537 121.223 -0.051 0.000 2.007 302 L HA 0.014 4.360 4.340 0.010 0.000 0.205 302 L C 2.389 179.184 176.870 -0.126 0.000 1.073 302 L CA 1.103 55.925 54.840 -0.031 0.000 0.744 302 L CB -1.429 40.658 42.059 0.047 0.000 0.898 302 L HN -0.090 nan 8.230 nan 0.000 0.435 303 A N -0.826 121.769 122.820 -0.375 0.000 2.285 303 A HA -0.016 4.310 4.320 0.010 0.000 0.214 303 A C 2.136 179.518 177.584 -0.337 0.000 1.188 303 A CA 1.407 52.998 52.037 -0.743 0.000 0.707 303 A CB -0.783 17.353 19.000 -1.440 0.000 0.771 303 A HN 0.395 nan 8.150 nan 0.000 0.488 304 A N -0.903 121.806 122.820 -0.185 0.000 2.197 304 A HA 0.432 4.758 4.320 0.010 0.000 0.210 304 A C 0.766 178.311 177.584 -0.065 0.000 1.180 304 A CA -0.293 51.678 52.037 -0.110 0.000 0.846 304 A CB -0.128 18.822 19.000 -0.083 0.000 0.884 304 A HN 0.407 nan 8.150 nan 0.000 0.487 305 I N 0.799 121.343 120.570 -0.044 0.000 2.872 305 I HA 0.032 4.208 4.170 0.010 0.000 0.291 305 I C -1.220 174.894 176.117 -0.004 0.000 1.216 305 I CA -1.128 60.170 61.300 -0.003 0.000 1.424 305 I CB 1.052 39.071 38.000 0.031 0.000 1.351 305 I HN 0.081 nan 8.210 nan 0.000 0.592 306 P HA -0.167 nan 4.420 nan 0.000 0.217 306 P C 0.494 177.701 177.300 -0.155 0.000 1.148 306 P CA 1.734 64.807 63.100 -0.045 0.000 0.828 306 P CB 0.131 31.852 31.700 0.036 0.000 0.783 307 H N -2.977 116.117 119.070 0.041 0.000 2.923 307 H HA 0.482 5.044 4.556 0.009 0.000 0.268 307 H C 0.410 175.788 175.328 0.083 0.000 1.148 307 H CA -0.258 55.823 56.048 0.054 0.000 1.146 307 H CB -0.007 29.783 29.762 0.047 0.000 1.607 307 H HN -0.011 nan 8.280 nan 0.000 0.566 308 A N 0.977 123.895 122.820 0.162 0.000 2.641 308 A HA 0.111 4.437 4.320 0.010 0.000 0.228 308 A C 0.149 177.902 177.584 0.281 0.000 1.049 308 A CA 1.189 53.357 52.037 0.219 0.000 0.779 308 A CB -0.085 19.027 19.000 0.187 0.000 0.947 308 A HN 0.348 nan 8.150 nan 0.000 0.498 309 T N 1.540 116.256 114.554 0.270 0.000 2.982 309 T HA 0.487 4.843 4.350 0.010 0.000 0.321 309 T C -1.102 173.514 174.700 -0.139 0.000 1.229 309 T CA -0.419 61.740 62.100 0.099 0.000 1.044 309 T CB 1.206 70.107 68.868 0.055 0.000 1.184 309 T HN 0.853 nan 8.240 nan 0.000 0.477 310 L N 3.601 124.541 121.223 -0.472 0.000 2.305 310 L HA 0.673 5.019 4.340 0.010 0.000 0.284 310 L C -1.063 175.576 176.870 -0.386 0.000 1.013 310 L CA -0.743 53.720 54.840 -0.629 0.000 0.819 310 L CB 0.993 42.342 42.059 -1.182 0.000 1.227 310 L HN 0.545 nan 8.230 nan 0.000 0.417 311 L N 6.615 127.616 121.223 -0.369 0.000 2.295 311 L HA 0.479 4.824 4.340 0.010 0.000 0.285 311 L C -1.462 175.260 176.870 -0.246 0.000 1.035 311 L CA -0.486 54.141 54.840 -0.355 0.000 0.806 311 L CB 1.562 43.254 42.059 -0.613 0.000 1.214 311 L HN 0.671 nan 8.230 nan 0.000 0.426 312 L N 5.351 126.474 121.223 -0.167 0.000 2.377 312 L HA 0.372 4.718 4.340 0.010 0.000 0.270 312 L C -0.637 176.231 176.870 -0.003 0.000 0.991 312 L CA -0.408 54.398 54.840 -0.057 0.000 0.851 312 L CB 1.657 43.686 42.059 -0.050 0.000 1.218 312 L HN 0.687 nan 8.230 nan 0.000 0.420 313 N N 1.074 119.775 118.700 0.002 0.000 2.458 313 N HA 0.522 5.268 4.740 0.010 0.000 0.271 313 N C -0.380 175.148 175.510 0.031 0.000 1.210 313 N CA -0.124 52.915 53.050 -0.019 0.000 0.978 313 N CB 1.605 40.099 38.487 0.011 0.000 1.206 313 N HN 0.363 nan 8.380 nan 0.000 0.536 314 T N -1.579 112.971 114.554 -0.006 0.000 2.883 314 T HA 0.572 4.928 4.350 0.010 0.000 0.284 314 T C 0.853 175.564 174.700 0.019 0.000 1.041 314 T CA 0.287 62.405 62.100 0.030 0.000 1.007 314 T CB 1.117 69.999 68.868 0.022 0.000 1.220 314 T HN 0.639 nan 8.240 nan 0.000 0.552 315 G N 1.303 110.120 108.800 0.029 0.000 2.396 315 G HA2 -0.325 3.641 3.960 0.010 0.000 0.242 315 G HA3 -0.325 3.641 3.960 0.010 0.000 0.242 315 G C 0.607 175.530 174.900 0.037 0.000 1.069 315 G CA 0.864 45.979 45.100 0.026 0.000 0.633 315 G HN 1.574 nan 8.290 nan 0.000 0.517 316 S N -0.382 115.346 115.700 0.046 0.000 2.527 316 S HA 0.182 4.658 4.470 0.010 0.000 0.274 316 S C 1.440 176.071 174.600 0.052 0.000 1.349 316 S CA 0.673 58.906 58.200 0.055 0.000 1.011 316 S CB 1.484 64.724 63.200 0.066 0.000 0.837 316 S HN 1.530 nan 8.310 nan 0.000 0.524 317 V N 1.038 120.982 119.914 0.050 0.000 3.129 317 V HA 0.279 4.405 4.120 0.010 0.000 0.259 317 V C 1.436 177.559 176.094 0.048 0.000 1.116 317 V CA 1.018 63.344 62.300 0.044 0.000 1.127 317 V CB -1.069 30.777 31.823 0.039 0.000 0.742 317 V HN 1.091 nan 8.190 nan 0.000 0.474 318 A N 1.610 124.463 122.820 0.055 0.000 2.425 318 A HA 0.523 4.849 4.320 0.010 0.000 0.242 318 A C -2.308 175.315 177.584 0.065 0.000 1.077 318 A CA -0.752 51.321 52.037 0.059 0.000 0.781 318 A CB -0.358 18.681 19.000 0.066 0.000 1.020 318 A HN 0.434 nan 8.150 nan 0.000 0.494 319 P HA 0.339 nan 4.420 nan 0.000 0.288 319 P C -2.241 175.115 177.300 0.094 0.000 1.267 319 P CA -1.701 61.440 63.100 0.069 0.000 0.815 319 P CB 0.495 32.226 31.700 0.052 0.000 0.989 320 P HA -0.228 nan 4.420 nan 0.000 0.218 320 P C 1.270 178.669 177.300 0.165 0.000 1.146 320 P CA 1.421 64.643 63.100 0.203 0.000 0.820 320 P CB 0.151 31.986 31.700 0.225 0.000 0.778 321 E N -0.853 119.392 120.200 0.076 0.000 2.038 321 E HA -0.206 4.149 4.350 0.010 0.000 0.195 321 E C 1.943 178.549 176.600 0.010 0.000 1.000 321 E CA 1.692 58.097 56.400 0.008 0.000 0.803 321 E CB -0.725 28.979 29.700 0.007 0.000 0.750 321 E HN 0.295 nan 8.360 nan 0.000 0.448 322 M N -0.372 119.255 119.600 0.044 0.000 2.254 322 M HA -0.050 4.436 4.480 0.010 0.000 0.265 322 M C 1.529 177.878 176.300 0.082 0.000 1.066 322 M CA 1.479 56.810 55.300 0.051 0.000 1.123 322 M CB -0.067 32.566 32.600 0.055 0.000 1.388 322 M HN 0.015 nan 8.290 nan 0.000 0.425 323 L N 0.470 121.765 121.223 0.120 0.000 2.017 323 L HA -0.151 4.195 4.340 0.010 0.000 0.208 323 L C 2.716 179.718 176.870 0.219 0.000 1.073 323 L CA 1.991 56.933 54.840 0.170 0.000 0.745 323 L CB -1.255 40.925 42.059 0.202 0.000 0.894 323 L HN 0.521 nan 8.230 nan 0.000 0.432 324 K N 0.640 121.162 120.400 0.203 0.000 2.097 324 K HA -0.146 4.180 4.320 0.010 0.000 0.205 324 K C 2.160 178.740 176.600 -0.034 0.000 1.050 324 K CA 1.198 57.481 56.287 -0.006 0.000 0.938 324 K CB 0.010 32.057 32.500 -0.754 0.000 0.718 324 K HN 0.221 nan 8.250 nan 0.000 0.442 325 A N 1.066 123.876 122.820 -0.017 0.000 1.908 325 A HA -0.158 4.168 4.320 0.010 0.000 0.218 325 A C 2.286 179.906 177.584 0.060 0.000 1.181 325 A CA 2.078 54.115 52.037 0.001 0.000 0.627 325 A CB -0.722 18.284 19.000 0.009 0.000 0.818 325 A HN 0.513 nan 8.150 nan 0.000 0.445 326 A N -0.526 122.362 122.820 0.114 0.000 1.861 326 A HA 0.114 4.440 4.320 0.010 0.000 0.212 326 A C 2.079 179.819 177.584 0.261 0.000 1.199 326 A CA 1.105 53.260 52.037 0.196 0.000 0.613 326 A CB -0.593 18.517 19.000 0.184 0.000 0.846 326 A HN 0.405 nan 8.150 nan 0.000 0.446 327 I N -0.533 120.163 120.570 0.210 0.000 2.145 327 I HA -0.338 3.838 4.170 0.010 0.000 0.244 327 I C 2.710 178.953 176.117 0.211 0.000 1.075 327 I CA 2.025 63.464 61.300 0.231 0.000 1.332 327 I CB -0.157 38.003 38.000 0.265 0.000 1.033 327 I HN 0.316 nan 8.210 nan 0.000 0.410 328 R N 1.006 121.588 120.500 0.136 0.000 2.070 328 R HA -0.138 4.208 4.340 0.010 0.000 0.233 328 R C 2.261 178.614 176.300 0.088 0.000 1.137 328 R CA 1.767 57.914 56.100 0.078 0.000 0.945 328 R CB -0.841 29.460 30.300 0.002 0.000 0.845 328 R HN 0.359 nan 8.270 nan 0.000 0.430 329 A N -0.130 122.741 122.820 0.084 0.000 1.893 329 A HA -0.298 4.028 4.320 0.010 0.000 0.222 329 A C 2.249 179.835 177.584 0.003 0.000 1.309 329 A CA 2.228 54.281 52.037 0.025 0.000 0.681 329 A CB -1.426 17.584 19.000 0.017 0.000 0.842 329 A HN 0.560 nan 8.150 nan 0.000 0.468 330 Y N -0.384 119.948 120.300 0.052 0.000 2.242 330 Y HA -0.166 4.390 4.550 0.010 0.000 0.291 330 Y C 2.425 178.370 175.900 0.074 0.000 1.137 330 Y CA 1.783 59.919 58.100 0.061 0.000 1.181 330 Y CB -0.662 37.842 38.460 0.073 0.000 0.989 330 Y HN 0.444 nan 8.280 nan 0.000 0.527 331 N N -0.247 118.595 118.700 0.238 0.000 2.223 331 N HA -0.167 4.578 4.740 0.010 0.000 0.185 331 N C 1.161 176.748 175.510 0.128 0.000 1.016 331 N CA 1.213 54.375 53.050 0.188 0.000 0.863 331 N CB -0.105 38.488 38.487 0.177 0.000 0.983 331 N HN 0.228 nan 8.380 nan 0.000 0.429 332 D N -0.420 120.028 120.400 0.080 0.000 2.263 332 D HA -0.070 4.576 4.640 0.010 0.000 0.208 332 D C 1.052 177.369 176.300 0.028 0.000 0.971 332 D CA 0.856 54.882 54.000 0.042 0.000 0.867 332 D CB 0.213 41.018 40.800 0.008 0.000 0.929 332 D HN 0.203 nan 8.370 nan 0.000 0.492 333 V N -2.154 117.772 119.914 0.021 0.000 3.176 333 V HA 0.227 4.353 4.120 0.010 0.000 0.332 333 V C 0.584 176.688 176.094 0.017 0.000 1.414 333 V CA -0.546 61.752 62.300 -0.004 0.000 1.133 333 V CB -0.310 31.478 31.823 -0.059 0.000 1.088 333 V HN 0.010 nan 8.190 nan 0.000 0.473 334 K N -0.825 119.608 120.400 0.055 0.000 3.130 334 K HA -0.252 4.074 4.320 0.010 0.000 0.282 334 K C 0.716 177.344 176.600 0.047 0.000 1.145 334 K CA 1.192 57.502 56.287 0.039 0.000 0.831 334 K CB -1.901 30.590 32.500 -0.015 0.000 1.226 334 K HN 0.822 nan 8.250 nan 0.000 0.478 335 R N 1.597 122.165 120.500 0.112 0.000 2.457 335 R HA 0.381 4.727 4.340 0.010 0.000 0.284 335 R C -2.570 173.865 176.300 0.226 0.000 1.024 335 R CA -1.535 54.664 56.100 0.165 0.000 1.025 335 R CB -0.449 29.985 30.300 0.223 0.000 1.063 335 R HN -0.011 nan 8.270 nan 0.000 0.493 336 P HA 0.408 nan 4.420 nan 0.000 0.284 336 P C -0.833 176.503 177.300 0.059 0.000 1.253 336 P CA -0.184 62.996 63.100 0.134 0.000 0.800 336 P CB 0.851 32.608 31.700 0.094 0.000 0.961 337 I N 1.981 122.596 120.570 0.076 0.000 2.474 337 I HA 0.400 4.575 4.170 0.010 0.000 0.294 337 I C -0.081 175.981 176.117 -0.093 0.000 1.005 337 I CA -1.279 59.985 61.300 -0.060 0.000 1.113 337 I CB 2.309 40.316 38.000 0.010 0.000 1.289 337 I HN -0.003 nan 8.210 nan 0.000 0.436 338 V N 5.785 125.591 119.914 -0.180 0.000 2.513 338 V HA 0.419 4.545 4.120 0.010 0.000 0.299 338 V C -0.897 175.069 176.094 -0.213 0.000 1.035 338 V CA -0.597 61.605 62.300 -0.164 0.000 0.889 338 V CB 2.123 33.861 31.823 -0.141 0.000 0.988 338 V HN 0.453 nan 8.190 nan 0.000 0.440 339 F N 4.005 123.688 119.950 -0.445 0.000 2.507 339 F HA 0.601 5.134 4.527 0.009 0.000 0.328 339 F C -0.543 175.068 175.800 -0.315 0.000 1.136 339 F CA -1.458 56.224 58.000 -0.530 0.000 0.930 339 F CB 1.669 40.125 39.000 -0.907 0.000 1.166 339 F HN 0.506 nan 8.300 nan 0.000 0.436 340 D N 8.448 128.500 120.400 -0.580 0.000 2.432 340 D HA 0.305 4.951 4.640 0.010 0.000 0.265 340 D C -2.853 173.017 176.300 -0.716 0.000 1.160 340 D CA -2.146 51.502 54.000 -0.587 0.000 0.911 340 D CB 1.460 42.057 40.800 -0.338 0.000 1.052 340 D HN 0.172 nan 8.370 nan 0.000 0.508 341 P HA 0.062 nan 4.420 nan 0.000 0.279 341 P C 0.016 177.118 177.300 -0.330 0.000 1.318 341 P CA -0.376 62.315 63.100 -0.682 0.000 0.819 341 P CB 0.827 32.107 31.700 -0.700 0.000 0.927 342 V N 3.837 123.625 119.914 -0.210 0.000 2.479 342 V HA 0.278 4.404 4.120 0.010 0.000 0.281 342 V C 1.477 177.514 176.094 -0.094 0.000 1.031 342 V CA 0.481 62.702 62.300 -0.132 0.000 1.038 342 V CB -0.401 31.370 31.823 -0.086 0.000 0.981 342 V HN 0.938 nan 8.190 nan 0.000 0.478 343 G N 2.675 111.425 108.800 -0.083 0.000 2.222 343 G HA2 -0.260 3.706 3.960 0.010 0.000 0.234 343 G HA3 -0.260 3.706 3.960 0.010 0.000 0.234 343 G C 0.516 175.385 174.900 -0.052 0.000 0.698 343 G CA 0.820 45.886 45.100 -0.057 0.000 1.094 343 G HN 1.621 nan 8.290 nan 0.000 0.316 344 Y N -1.252 119.013 120.300 -0.058 0.000 2.256 344 Y HA 0.184 4.740 4.550 0.010 0.000 0.288 344 Y C 2.856 178.743 175.900 -0.022 0.000 1.155 344 Y CA 2.527 60.602 58.100 -0.042 0.000 1.203 344 Y CB -0.310 38.125 38.460 -0.041 0.000 0.980 344 Y HN 1.726 nan 8.280 nan 0.000 0.530 345 S N -0.963 114.724 115.700 -0.021 0.000 2.666 345 S HA 0.530 5.006 4.470 0.010 0.000 0.239 345 S C 2.063 176.655 174.600 -0.014 0.000 1.031 345 S CA 0.823 59.015 58.200 -0.014 0.000 1.015 345 S CB -0.399 62.794 63.200 -0.012 0.000 0.981 345 S HN 1.209 nan 8.310 nan 0.000 0.547 346 A N 1.653 124.463 122.820 -0.017 0.000 1.893 346 A HA 0.055 4.381 4.320 0.010 0.000 0.222 346 A C 1.569 179.148 177.584 -0.009 0.000 1.309 346 A CA 2.488 54.516 52.037 -0.015 0.000 0.681 346 A CB -1.110 17.879 19.000 -0.018 0.000 0.842 346 A HN 1.350 nan 8.150 nan 0.000 0.468 347 T N -5.784 108.766 114.554 -0.007 0.000 2.982 347 T HA 0.474 4.830 4.350 0.010 0.000 0.321 347 T C 0.317 175.017 174.700 -0.001 0.000 1.229 347 T CA 0.016 62.115 62.100 -0.003 0.000 1.044 347 T CB 1.653 70.521 68.868 -0.001 0.000 1.184 347 T HN 0.211 nan 8.240 nan 0.000 0.477 348 E N 1.665 121.865 120.200 -0.000 0.000 2.181 348 E HA -0.265 4.091 4.350 0.010 0.000 0.225 348 E C 1.986 178.590 176.600 0.006 0.000 1.073 348 E CA 2.845 59.246 56.400 0.002 0.000 0.916 348 E CB -0.888 28.814 29.700 0.003 0.000 0.793 348 E HN 0.901 nan 8.360 nan 0.000 0.472 349 T N 0.455 115.014 114.554 0.009 0.000 2.665 349 T HA -0.191 4.165 4.350 0.010 0.000 0.268 349 T C 2.041 176.750 174.700 0.015 0.000 1.035 349 T CA 1.761 63.869 62.100 0.014 0.000 1.151 349 T CB -0.259 68.619 68.868 0.015 0.000 0.862 349 T HN 0.163 nan 8.240 nan 0.000 0.438 350 R N 0.050 120.556 120.500 0.010 0.000 2.092 350 R HA 0.055 4.401 4.340 0.010 0.000 0.231 350 R C 2.358 178.664 176.300 0.011 0.000 1.119 350 R CA 0.610 56.716 56.100 0.010 0.000 0.970 350 R CB -0.547 29.753 30.300 0.000 0.000 0.864 350 R HN 0.198 nan 8.270 nan 0.000 0.440 351 L N 1.007 122.234 121.223 0.006 0.000 1.990 351 L HA -0.242 4.104 4.340 0.010 0.000 0.213 351 L C 1.766 178.644 176.870 0.012 0.000 1.072 351 L CA 1.850 56.694 54.840 0.007 0.000 0.755 351 L CB -0.835 41.225 42.059 0.002 0.000 0.889 351 L HN 0.178 nan 8.230 nan 0.000 0.432 352 L N -1.266 119.965 121.223 0.012 0.000 1.921 352 L HA -0.255 4.091 4.340 0.010 0.000 0.219 352 L C 2.549 179.425 176.870 0.011 0.000 1.081 352 L CA 1.943 56.791 54.840 0.014 0.000 0.771 352 L CB -1.473 40.598 42.059 0.021 0.000 0.888 352 L HN 0.397 nan 8.230 nan 0.000 0.433 353 L N 0.745 121.980 121.223 0.019 0.000 2.125 353 L HA -0.358 3.988 4.340 0.010 0.000 0.234 353 L C 2.358 179.227 176.870 -0.002 0.000 1.110 353 L CA 2.193 57.046 54.840 0.021 0.000 0.832 353 L CB -1.417 40.665 42.059 0.038 0.000 0.922 353 L HN 0.455 nan 8.230 nan 0.000 0.449 354 N N -0.280 118.441 118.700 0.036 0.000 2.062 354 N HA -0.175 4.571 4.740 0.010 0.000 0.191 354 N C 1.547 177.074 175.510 0.028 0.000 1.042 354 N CA 1.786 54.892 53.050 0.095 0.000 0.845 354 N CB -0.541 38.025 38.487 0.130 0.000 1.024 354 N HN 0.551 nan 8.380 nan 0.000 0.424 355 N N 1.041 119.754 118.700 0.022 0.000 2.247 355 N HA -0.186 4.560 4.740 0.010 0.000 0.189 355 N C 1.714 177.184 175.510 -0.066 0.000 1.009 355 N CA 1.066 54.124 53.050 0.013 0.000 0.872 355 N CB 0.011 38.515 38.487 0.028 0.000 0.980 355 N HN 0.321 nan 8.380 nan 0.000 0.436 356 K N 0.932 121.257 120.400 -0.125 0.000 2.007 356 K HA -0.015 4.311 4.320 0.010 0.000 0.206 356 K C 1.733 177.860 176.600 -0.790 0.000 1.047 356 K CA 0.763 56.894 56.287 -0.260 0.000 0.937 356 K CB -0.009 32.414 32.500 -0.128 0.000 0.718 356 K HN 0.096 nan 8.250 nan 0.000 0.438 357 L N 1.096 121.850 121.223 -0.781 0.000 2.127 357 L HA -0.162 4.184 4.340 0.010 0.000 0.211 357 L C 2.181 178.622 176.870 -0.715 0.000 1.089 357 L CA 0.811 55.018 54.840 -1.055 0.000 0.757 357 L CB -0.337 41.470 42.059 -0.419 0.000 0.899 357 L HN 0.215 nan 8.230 nan 0.000 0.434 358 L N 0.020 120.984 121.223 -0.432 0.000 2.633 358 L HA -0.104 4.242 4.340 0.010 0.000 0.235 358 L C 1.818 178.536 176.870 -0.253 0.000 1.163 358 L CA 1.094 55.728 54.840 -0.343 0.000 0.859 358 L CB -0.434 41.572 42.059 -0.088 0.000 0.973 358 L HN 0.457 nan 8.230 nan 0.000 0.451 359 T N -6.255 108.165 114.554 -0.223 0.000 3.084 359 T HA 0.147 4.503 4.350 0.010 0.000 0.270 359 T C 1.102 175.939 174.700 0.229 0.000 1.008 359 T CA -0.265 61.873 62.100 0.063 0.000 0.900 359 T CB -0.297 68.705 68.868 0.224 0.000 1.084 359 T HN 0.175 nan 8.240 nan 0.000 0.538 360 F N 1.558 121.439 119.950 -0.115 0.000 2.698 360 F HA 0.483 5.016 4.527 0.010 0.000 0.295 360 F C 1.659 177.368 175.800 -0.151 0.000 1.124 360 F CA -0.282 57.651 58.000 -0.111 0.000 1.426 360 F CB 0.576 39.539 39.000 -0.061 0.000 1.120 360 F HN 0.524 nan 8.300 nan 0.000 0.583 361 G N -0.072 108.680 108.800 -0.081 0.000 2.427 361 G HA2 0.307 4.273 3.960 0.010 0.000 0.306 361 G HA3 0.307 4.273 3.960 0.010 0.000 0.306 361 G C -2.096 172.601 174.900 -0.339 0.000 1.280 361 G CA -0.583 44.440 45.100 -0.128 0.000 0.837 361 G HN -0.135 nan 8.290 nan 0.000 0.482 362 Q N 0.383 120.064 119.800 -0.198 0.000 2.368 362 Q HA 0.643 4.989 4.340 0.010 0.000 0.263 362 Q C -1.267 174.613 176.000 -0.201 0.000 1.009 362 Q CA -0.638 54.992 55.803 -0.289 0.000 0.818 362 Q CB 0.380 28.982 28.738 -0.227 0.000 1.239 362 Q HN 0.354 nan 8.270 nan 0.000 0.464 363 F N 1.759 121.598 119.950 -0.186 0.000 2.399 363 F HA 0.211 4.743 4.527 0.009 0.000 0.342 363 F C 1.313 177.117 175.800 0.007 0.000 1.106 363 F CA -0.615 57.341 58.000 -0.073 0.000 1.196 363 F CB 1.488 40.460 39.000 -0.047 0.000 1.163 363 F HN 0.611 nan 8.300 nan 0.000 0.547 364 S N 0.726 116.653 115.700 0.379 0.000 2.478 364 S HA 0.007 4.483 4.470 0.010 0.000 0.222 364 S C -0.081 174.673 174.600 0.257 0.000 1.008 364 S CA -0.016 58.426 58.200 0.405 0.000 0.928 364 S CB 0.233 63.634 63.200 0.335 0.000 0.781 364 S HN 0.655 nan 8.310 nan 0.000 0.518 365 C N 1.336 120.743 119.300 0.178 0.000 3.006 365 C HA 0.586 5.052 4.460 0.010 0.000 0.359 365 C C -1.758 173.278 174.990 0.077 0.000 1.103 365 C CA -1.161 57.932 59.018 0.126 0.000 1.286 365 C CB 0.017 27.806 27.740 0.083 0.000 1.694 365 C HN 0.400 nan 8.230 nan 0.000 0.511 366 I N 5.342 125.966 120.570 0.090 0.000 2.404 366 I HA 0.510 4.686 4.170 0.010 0.000 0.293 366 I C -0.294 175.794 176.117 -0.047 0.000 0.992 366 I CA -0.370 60.947 61.300 0.027 0.000 1.149 366 I CB 1.594 39.643 38.000 0.083 0.000 1.315 366 I HN 0.574 nan 8.210 nan 0.000 0.446 367 K N 4.979 125.289 120.400 -0.150 0.000 2.426 367 K HA 0.776 5.102 4.320 0.010 0.000 0.254 367 K C -1.037 175.452 176.600 -0.185 0.000 0.936 367 K CA -0.350 55.854 56.287 -0.138 0.000 0.801 367 K CB 2.335 34.745 32.500 -0.150 0.000 1.139 367 K HN 0.914 nan 8.250 nan 0.000 0.424 368 G N 2.291 111.018 108.800 -0.121 0.000 2.698 368 G HA2 0.214 4.179 3.960 0.010 0.000 0.293 368 G HA3 0.214 4.179 3.960 0.010 0.000 0.293 368 G C -1.097 173.766 174.900 -0.061 0.000 1.437 368 G CA -0.918 44.108 45.100 -0.123 0.000 0.852 368 G HN 0.733 nan 8.290 nan 0.000 0.499 369 N N -0.824 117.841 118.700 -0.057 0.000 2.285 369 N HA 0.209 4.954 4.740 0.010 0.000 0.262 369 N C 1.859 177.372 175.510 0.005 0.000 1.299 369 N CA 0.415 53.454 53.050 -0.018 0.000 0.930 369 N CB 0.248 38.720 38.487 -0.023 0.000 1.157 369 N HN 0.581 nan 8.380 nan 0.000 0.532 370 S N -0.655 115.061 115.700 0.028 0.000 2.369 370 S HA -0.254 4.222 4.470 0.010 0.000 0.225 370 S C 1.853 176.461 174.600 0.013 0.000 1.043 370 S CA 1.613 59.835 58.200 0.037 0.000 1.074 370 S CB -1.280 61.946 63.200 0.044 0.000 0.962 370 S HN 0.570 nan 8.310 nan 0.000 0.433 371 S N 2.283 117.983 115.700 0.000 0.000 2.359 371 S HA -0.186 4.290 4.470 0.010 0.000 0.222 371 S C 2.006 176.595 174.600 -0.018 0.000 1.038 371 S CA 1.750 59.944 58.200 -0.009 0.000 1.051 371 S CB -0.659 62.532 63.200 -0.015 0.000 0.944 371 S HN 0.711 nan 8.310 nan 0.000 0.433 372 E N 0.427 120.607 120.200 -0.034 0.000 2.118 372 E HA -0.106 4.250 4.350 0.010 0.000 0.195 372 E C 1.758 178.334 176.600 -0.041 0.000 0.992 372 E CA 0.925 57.292 56.400 -0.055 0.000 0.804 372 E CB -0.138 29.505 29.700 -0.095 0.000 0.741 372 E HN 0.384 nan 8.360 nan 0.000 0.458 373 I N 0.560 121.119 120.570 -0.019 0.000 3.059 373 I HA -0.095 4.081 4.170 0.010 0.000 0.270 373 I C 1.913 178.039 176.117 0.016 0.000 1.238 373 I CA 0.777 62.079 61.300 0.004 0.000 1.478 373 I CB -0.280 37.736 38.000 0.027 0.000 1.097 373 I HN 0.180 nan 8.210 nan 0.000 0.455 374 L N 0.066 121.293 121.223 0.008 0.000 2.209 374 L HA 0.040 4.386 4.340 0.010 0.000 0.207 374 L C 2.586 179.462 176.870 0.009 0.000 1.094 374 L CA 0.878 55.722 54.840 0.007 0.000 0.790 374 L CB -0.696 41.363 42.059 0.001 0.000 0.932 374 L HN 0.213 nan 8.230 nan 0.000 0.447 375 G N 0.310 109.111 108.800 0.002 0.000 2.421 375 G HA2 -0.214 3.752 3.960 0.010 0.000 0.216 375 G HA3 -0.214 3.752 3.960 0.010 0.000 0.216 375 G C 1.570 176.486 174.900 0.026 0.000 1.171 375 G CA 0.540 45.642 45.100 0.004 0.000 0.775 375 G HN 0.199 nan 8.290 nan 0.000 0.543 376 L N 0.436 121.678 121.223 0.032 0.000 2.179 376 L HA 0.088 4.433 4.340 0.010 0.000 0.208 376 L C 3.246 180.205 176.870 0.149 0.000 1.096 376 L CA 0.782 55.674 54.840 0.086 0.000 0.779 376 L CB -0.292 41.785 42.059 0.029 0.000 0.922 376 L HN 0.330 nan 8.230 nan 0.000 0.443 377 A N -0.480 122.397 122.820 0.095 0.000 2.168 377 A HA -0.111 4.215 4.320 0.010 0.000 0.215 377 A C 0.582 178.197 177.584 0.053 0.000 1.152 377 A CA 0.428 52.515 52.037 0.083 0.000 0.716 377 A CB -0.182 18.849 19.000 0.051 0.000 0.794 377 A HN 0.521 nan 8.150 nan 0.000 0.465 378 E N -2.907 117.319 120.200 0.044 0.000 2.432 378 E HA 0.069 4.425 4.350 0.010 0.000 0.212 378 E C 0.093 176.696 176.600 0.004 0.000 1.268 378 E CA 0.209 56.621 56.400 0.020 0.000 0.692 378 E CB -2.729 26.979 29.700 0.013 0.000 1.169 378 E HN 1.960 nan 8.360 nan 0.000 0.411 395 N N 0.333 118.999 118.700 -0.058 0.000 2.486 395 N HA 0.227 4.973 4.740 0.010 0.000 0.242 395 N C 0.988 176.408 175.510 -0.150 0.000 1.083 395 N CA 0.814 53.811 53.050 -0.087 0.000 0.844 395 N CB 0.066 38.489 38.487 -0.107 0.000 1.527 395 N HN 0.683 nan 8.380 nan 0.000 0.462 396 E N 0.641 120.763 120.200 -0.131 0.000 2.268 396 E HA -0.119 4.236 4.350 0.010 0.000 0.195 396 E C 1.616 178.113 176.600 -0.171 0.000 0.995 396 E CA 0.504 56.812 56.400 -0.154 0.000 0.836 396 E CB 0.134 29.775 29.700 -0.098 0.000 0.763 396 E HN 0.192 nan 8.360 nan 0.000 0.491 397 L N 0.731 121.876 121.223 -0.130 0.000 2.093 397 L HA -0.113 4.233 4.340 0.010 0.000 0.208 397 L C 1.987 178.778 176.870 -0.132 0.000 1.085 397 L CA 1.345 56.122 54.840 -0.106 0.000 0.755 397 L CB -0.072 41.947 42.059 -0.067 0.000 0.904 397 L HN 0.081 nan 8.230 nan 0.000 0.435 398 L N -0.884 120.240 121.223 -0.165 0.000 2.275 398 L HA -0.179 4.166 4.340 0.010 0.000 0.215 398 L C 2.304 178.954 176.870 -0.367 0.000 1.119 398 L CA 0.791 55.528 54.840 -0.173 0.000 0.790 398 L CB -0.362 41.666 42.059 -0.052 0.000 0.919 398 L HN 0.307 nan 8.230 nan 0.000 0.443 399 I N -0.907 119.328 120.570 -0.557 0.000 2.233 399 I HA -0.261 3.914 4.170 0.010 0.000 0.243 399 I C 2.561 178.538 176.117 -0.234 0.000 1.093 399 I CA 1.093 62.061 61.300 -0.553 0.000 1.380 399 I CB -0.474 37.215 38.000 -0.517 0.000 1.067 399 I HN 0.378 nan 8.210 nan 0.000 0.413 400 Q N 1.465 121.160 119.800 -0.175 0.000 2.045 400 Q HA -0.252 4.094 4.340 0.010 0.000 0.206 400 Q C 2.350 178.312 176.000 -0.065 0.000 0.991 400 Q CA 2.516 58.259 55.803 -0.099 0.000 0.851 400 Q CB -0.092 28.595 28.738 -0.085 0.000 0.911 400 Q HN 0.519 nan 8.270 nan 0.000 0.418 401 A N -0.114 122.668 122.820 -0.064 0.000 1.877 401 A HA -0.177 4.149 4.320 0.010 0.000 0.216 401 A C 2.258 179.851 177.584 0.015 0.000 1.186 401 A CA 1.969 53.995 52.037 -0.018 0.000 0.620 401 A CB -1.095 17.895 19.000 -0.017 0.000 0.822 401 A HN 0.510 nan 8.150 nan 0.000 0.443 402 T N 0.042 114.597 114.554 0.002 0.000 2.684 402 T HA -0.162 4.194 4.350 0.010 0.000 0.267 402 T C 1.929 176.672 174.700 0.073 0.000 1.036 402 T CA 1.745 63.880 62.100 0.057 0.000 1.148 402 T CB -0.244 68.680 68.868 0.092 0.000 0.863 402 T HN 0.507 nan 8.240 nan 0.000 0.436 403 K N 0.329 120.752 120.400 0.039 0.000 2.113 403 K HA -0.058 4.268 4.320 0.010 0.000 0.208 403 K C 2.209 178.864 176.600 0.092 0.000 1.047 403 K CA 1.135 57.454 56.287 0.054 0.000 0.928 403 K CB -0.348 32.154 32.500 0.005 0.000 0.716 403 K HN 0.372 nan 8.250 nan 0.000 0.446 404 I N 0.327 120.942 120.570 0.075 0.000 2.110 404 I HA -0.277 3.898 4.170 0.010 0.000 0.236 404 I C 2.255 178.478 176.117 0.178 0.000 1.068 404 I CA 1.006 62.371 61.300 0.109 0.000 1.333 404 I CB -0.273 37.764 38.000 0.062 0.000 1.054 404 I HN -0.092 nan 8.210 nan 0.000 0.402 405 V N 1.153 121.169 119.914 0.171 0.000 2.370 405 V HA -0.357 3.769 4.120 0.010 0.000 0.252 405 V C 2.506 178.763 176.094 0.271 0.000 1.068 405 V CA 2.183 64.632 62.300 0.248 0.000 1.061 405 V CB -1.004 30.917 31.823 0.164 0.000 0.656 405 V HN 0.556 nan 8.190 nan 0.000 0.455 406 A N -1.801 121.139 122.820 0.200 0.000 2.067 406 A HA -0.044 4.282 4.320 0.010 0.000 0.217 406 A C 1.969 179.660 177.584 0.177 0.000 1.156 406 A CA 1.200 53.345 52.037 0.180 0.000 0.683 406 A CB -0.397 18.691 19.000 0.147 0.000 0.808 406 A HN 0.556 nan 8.150 nan 0.000 0.455 407 F N 0.107 120.086 119.950 0.047 0.000 2.188 407 F HA 0.116 4.648 4.527 0.010 0.000 0.289 407 F C 2.045 177.817 175.800 -0.047 0.000 1.082 407 F CA 1.541 59.538 58.000 -0.004 0.000 1.282 407 F CB -0.105 38.882 39.000 -0.022 0.000 1.060 407 F HN 0.086 nan 8.300 nan 0.000 0.493 408 K N 0.171 120.598 120.400 0.045 0.000 2.049 408 K HA -0.287 4.039 4.320 0.010 0.000 0.219 408 K C 1.218 177.550 176.600 -0.447 0.000 1.056 408 K CA 2.531 58.687 56.287 -0.219 0.000 0.946 408 K CB -0.833 31.534 32.500 -0.222 0.000 0.723 408 K HN 0.448 nan 8.250 nan 0.000 0.453 409 Y N 1.248 121.465 120.300 -0.139 0.000 2.596 409 Y HA 0.185 4.740 4.550 0.009 0.000 0.316 409 Y C -0.360 175.419 175.900 -0.202 0.000 1.156 409 Y CA -0.410 57.600 58.100 -0.149 0.000 1.300 409 Y CB 0.217 38.658 38.460 -0.031 0.000 1.130 409 Y HN -0.090 nan 8.280 nan 0.000 0.518 410 K N 1.416 121.672 120.400 -0.241 0.000 4.444 410 K HA -0.235 4.091 4.320 0.010 0.000 0.281 410 K C -0.042 176.569 176.600 0.019 0.000 0.817 410 K CA 1.060 57.210 56.287 -0.228 0.000 0.793 410 K CB -1.268 30.919 32.500 -0.520 0.000 1.784 410 K HN 0.484 nan 8.250 nan 0.000 0.424 411 T N -1.677 112.933 114.554 0.094 0.000 2.749 411 T HA 0.431 4.787 4.350 0.010 0.000 0.310 411 T C -1.178 173.617 174.700 0.160 0.000 1.496 411 T CA -0.564 61.639 62.100 0.172 0.000 1.006 411 T CB 1.405 70.388 68.868 0.193 0.000 1.457 411 T HN -0.004 nan 8.240 nan 0.000 0.497 412 V N 2.608 122.629 119.914 0.179 0.000 2.408 412 V HA 0.713 4.839 4.120 0.010 0.000 0.267 412 V C 0.650 176.839 176.094 0.159 0.000 1.047 412 V CA -0.472 61.927 62.300 0.164 0.000 0.937 412 V CB 0.092 32.044 31.823 0.215 0.000 0.999 412 V HN 1.007 nan 8.190 nan 0.000 0.472 413 A N 4.846 127.756 122.820 0.149 0.000 2.350 413 A HA 0.884 5.210 4.320 0.010 0.000 0.324 413 A C -0.742 176.918 177.584 0.127 0.000 1.118 413 A CA -0.616 51.495 52.037 0.123 0.000 0.783 413 A CB 1.844 20.916 19.000 0.121 0.000 1.236 413 A HN 0.665 nan 8.150 nan 0.000 0.457 414 V N 1.441 121.406 119.914 0.085 0.000 2.443 414 V HA 0.299 4.425 4.120 0.010 0.000 0.293 414 V C -0.407 175.728 176.094 0.067 0.000 1.021 414 V CA -0.666 61.686 62.300 0.087 0.000 0.848 414 V CB 1.100 32.947 31.823 0.040 0.000 0.998 414 V HN 1.012 nan 8.190 nan 0.000 0.424 415 C N 6.136 125.515 119.300 0.133 0.000 2.265 415 C HA 0.717 5.183 4.460 0.010 0.000 0.332 415 C C 1.014 176.072 174.990 0.114 0.000 1.248 415 C CA -0.102 58.999 59.018 0.139 0.000 1.727 415 C CB -0.165 27.717 27.740 0.237 0.000 2.348 415 C HN 1.016 nan 8.230 nan 0.000 0.519 416 T N 3.456 118.039 114.554 0.049 0.000 2.907 416 T HA 0.855 5.210 4.350 0.010 0.000 0.284 416 T C 0.356 175.080 174.700 0.040 0.000 1.004 416 T CA 0.280 62.390 62.100 0.018 0.000 1.063 416 T CB 1.740 70.599 68.868 -0.015 0.000 0.992 416 T HN 1.296 nan 8.240 nan 0.000 0.483 417 G N 1.232 110.050 108.800 0.031 0.000 2.565 417 G HA2 0.244 4.209 3.960 0.010 0.000 0.142 417 G HA3 0.244 4.209 3.960 0.010 0.000 0.142 417 G C 0.171 175.109 174.900 0.063 0.000 1.181 417 G CA 0.078 45.216 45.100 0.062 0.000 1.066 417 G HN 0.701 nan 8.290 nan 0.000 0.530 418 E N -1.061 119.219 120.200 0.133 0.000 2.072 418 E HA 0.159 4.515 4.350 0.010 0.000 0.190 418 E C -0.085 176.555 176.600 0.067 0.000 0.982 418 E CA 0.618 57.103 56.400 0.141 0.000 0.803 418 E CB -0.034 29.832 29.700 0.277 0.000 0.755 418 E HN 0.171 nan 8.360 nan 0.000 0.453 419 F N 1.533 121.368 119.950 -0.192 0.000 2.421 419 F HA 0.306 4.838 4.527 0.008 0.000 0.337 419 F C -0.213 175.220 175.800 -0.611 0.000 1.105 419 F CA -1.243 56.496 58.000 -0.434 0.000 1.049 419 F CB 1.233 39.842 39.000 -0.651 0.000 1.139 419 F HN -0.202 nan 8.300 nan 0.000 0.479 420 D N 3.101 123.293 120.400 -0.347 0.000 2.198 420 D HA 0.324 4.970 4.640 0.010 0.000 0.245 420 D C -0.769 175.312 176.300 -0.365 0.000 1.079 420 D CA 0.044 53.884 54.000 -0.266 0.000 0.854 420 D CB 1.060 41.803 40.800 -0.096 0.000 1.148 420 D HN 0.168 nan 8.370 nan 0.000 0.456 421 F N 1.225 121.248 119.950 0.122 0.000 2.469 421 F HA 0.491 5.023 4.527 0.008 0.000 0.332 421 F C 0.599 176.474 175.800 0.125 0.000 1.103 421 F CA -0.914 57.161 58.000 0.126 0.000 0.979 421 F CB 1.538 40.603 39.000 0.108 0.000 1.137 421 F HN 0.065 nan 8.300 nan 0.000 0.463 422 I N 3.310 124.087 120.570 0.344 0.000 2.698 422 I HA 0.379 4.555 4.170 0.010 0.000 0.276 422 I C -0.226 176.118 176.117 0.378 0.000 1.166 422 I CA -0.475 61.019 61.300 0.323 0.000 1.101 422 I CB 0.856 39.037 38.000 0.302 0.000 1.305 422 I HN 0.659 nan 8.210 nan 0.000 0.526 423 A N 3.241 126.210 122.820 0.247 0.000 2.371 423 A HA 0.406 4.732 4.320 0.010 0.000 0.257 423 A C -0.454 177.139 177.584 0.016 0.000 1.089 423 A CA -0.152 51.963 52.037 0.130 0.000 0.794 423 A CB 0.607 19.672 19.000 0.108 0.000 1.029 423 A HN 0.594 nan 8.150 nan 0.000 0.488 424 D N 0.830 121.102 120.400 -0.213 0.000 2.278 424 D HA 0.520 5.166 4.640 0.010 0.000 0.245 424 D C 0.588 176.847 176.300 -0.070 0.000 1.052 424 D CA 0.291 54.109 54.000 -0.304 0.000 0.834 424 D CB 1.613 41.922 40.800 -0.818 0.000 1.194 424 D HN 0.464 nan 8.370 nan 0.000 0.481 425 G N 1.333 110.154 108.800 0.035 0.000 3.342 425 G HA2 -0.048 3.917 3.960 0.010 0.000 0.252 425 G HA3 -0.048 3.917 3.960 0.010 0.000 0.252 425 G C 1.121 176.076 174.900 0.090 0.000 1.011 425 G CA 0.274 45.445 45.100 0.118 0.000 0.869 425 G HN 0.547 nan 8.290 nan 0.000 0.514 426 T N 0.144 114.773 114.554 0.124 0.000 3.051 426 T HA 0.003 4.359 4.350 0.010 0.000 0.269 426 T C 1.678 176.530 174.700 0.254 0.000 1.127 426 T CA 0.352 62.596 62.100 0.239 0.000 1.107 426 T CB -0.367 68.665 68.868 0.273 0.000 0.898 426 T HN 0.517 nan 8.240 nan 0.000 0.517 427 I N 1.582 122.257 120.570 0.174 0.000 5.273 427 I HA -0.335 3.840 4.170 0.010 0.000 0.127 427 I C 0.419 176.640 176.117 0.174 0.000 1.438 427 I CA 1.482 62.888 61.300 0.177 0.000 2.623 427 I CB -2.592 35.535 38.000 0.211 0.000 2.553 427 I HN 0.598 nan 8.210 nan 0.000 0.319 428 E N -1.198 119.087 120.200 0.142 0.000 3.070 428 E HA -0.257 4.098 4.350 0.010 0.000 0.285 428 E C 1.120 177.782 176.600 0.103 0.000 0.972 428 E CA 0.709 57.166 56.400 0.095 0.000 0.915 428 E CB -1.689 28.051 29.700 0.067 0.000 1.466 428 E HN 1.121 nan 8.360 nan 0.000 0.432 429 G N 0.297 109.215 108.800 0.197 0.000 2.160 429 G HA2 -0.334 3.632 3.960 0.010 0.000 0.251 429 G HA3 -0.334 3.632 3.960 0.010 0.000 0.251 429 G C 0.062 175.062 174.900 0.167 0.000 1.008 429 G CA 0.657 45.820 45.100 0.105 0.000 0.724 429 G HN 0.052 nan 8.290 nan 0.000 0.514 430 K N -0.112 120.465 120.400 0.294 0.000 2.205 430 K HA 0.619 4.945 4.320 0.010 0.000 0.279 430 K C 0.056 176.912 176.600 0.427 0.000 1.027 430 K CA -0.406 56.018 56.287 0.228 0.000 0.932 430 K CB 1.166 33.754 32.500 0.146 0.000 1.032 430 K HN 0.677 nan 8.250 nan 0.000 0.466 431 Y N -2.164 118.266 120.300 0.217 0.000 2.597 431 Y HA 0.623 5.179 4.550 0.010 0.000 0.340 431 Y C -0.429 175.539 175.900 0.115 0.000 1.097 431 Y CA -1.118 57.101 58.100 0.198 0.000 1.037 431 Y CB 1.331 39.944 38.460 0.255 0.000 1.305 431 Y HN 0.577 nan 8.280 nan 0.000 0.463 432 S N 1.328 117.174 115.700 0.244 0.000 2.705 432 S HA 0.728 5.204 4.470 0.010 0.000 0.280 432 S C -1.823 172.884 174.600 0.178 0.000 1.174 432 S CA -1.165 57.118 58.200 0.138 0.000 0.823 432 S CB 1.507 64.747 63.200 0.068 0.000 1.162 432 S HN 0.843 nan 8.310 nan 0.000 0.487 433 L N 2.528 123.822 121.223 0.118 0.000 2.264 433 L HA 0.389 4.735 4.340 0.010 0.000 0.289 433 L C 0.770 177.678 176.870 0.064 0.000 1.044 433 L CA -0.004 54.894 54.840 0.097 0.000 0.807 433 L CB 1.389 43.501 42.059 0.089 0.000 1.192 433 L HN 1.196 nan 8.230 nan 0.000 0.425 434 S N 0.105 115.832 115.700 0.045 0.000 2.967 434 S HA -0.366 4.110 4.470 0.010 0.000 0.297 434 S C 1.075 175.691 174.600 0.028 0.000 1.312 434 S CA 1.699 59.912 58.200 0.021 0.000 1.163 434 S CB -1.586 61.619 63.200 0.008 0.000 1.377 434 S HN 0.847 nan 8.310 nan 0.000 0.724 435 K N 0.983 121.409 120.400 0.043 0.000 2.353 435 K HA 0.620 4.945 4.320 0.010 0.000 0.195 435 K C 2.386 179.016 176.600 0.049 0.000 1.031 435 K CA 1.087 57.399 56.287 0.041 0.000 1.079 435 K CB -1.052 31.473 32.500 0.043 0.000 0.857 435 K HN 1.942 nan 8.250 nan 0.000 0.535 436 G N -0.249 108.586 108.800 0.058 0.000 2.602 436 G HA2 -0.278 3.688 3.960 0.010 0.000 0.310 436 G HA3 -0.278 3.688 3.960 0.010 0.000 0.310 436 G C 0.542 175.500 174.900 0.097 0.000 1.183 436 G CA 1.018 46.161 45.100 0.071 0.000 0.979 436 G HN 1.250 nan 8.290 nan 0.000 0.545 437 T N 0.164 114.780 114.554 0.103 0.000 2.848 437 T HA 0.600 4.956 4.350 0.010 0.000 0.285 437 T C 0.538 175.285 174.700 0.079 0.000 0.995 437 T CA 1.256 63.423 62.100 0.112 0.000 0.970 437 T CB 0.244 69.212 68.868 0.166 0.000 0.976 437 T HN 2.010 nan 8.240 nan 0.000 0.441 438 N N 2.589 121.327 118.700 0.064 0.000 2.180 438 N HA 0.172 4.918 4.740 0.010 0.000 0.284 438 N C 1.415 176.946 175.510 0.035 0.000 1.326 438 N CA 0.595 53.671 53.050 0.043 0.000 1.096 438 N CB -1.332 37.178 38.487 0.038 0.000 1.502 438 N HN 1.591 nan 8.380 nan 0.000 0.482 439 G N 1.078 109.893 108.800 0.025 0.000 2.410 439 G HA2 -0.182 3.784 3.960 0.010 0.000 0.286 439 G HA3 -0.182 3.784 3.960 0.010 0.000 0.286 439 G C 0.414 175.307 174.900 -0.012 0.000 0.884 439 G CA 0.911 46.013 45.100 0.003 0.000 1.130 439 G HN 0.980 nan 8.290 nan 0.000 0.492 440 T N 1.067 115.621 114.554 0.001 0.000 3.042 440 T HA 0.534 4.890 4.350 0.010 0.000 0.356 440 T C 0.996 175.604 174.700 -0.153 0.000 1.233 440 T CA 0.104 62.190 62.100 -0.024 0.000 1.038 440 T CB 0.730 69.630 68.868 0.053 0.000 1.089 440 T HN 0.656 nan 8.240 nan 0.000 0.531 441 S N 1.651 117.198 115.700 -0.255 0.000 2.596 441 S HA 0.256 4.732 4.470 0.010 0.000 0.262 441 S C 1.526 175.611 174.600 -0.858 0.000 1.218 441 S CA -0.731 57.178 58.200 -0.485 0.000 0.998 441 S CB 0.254 63.283 63.200 -0.285 0.000 1.060 441 S HN 0.277 nan 8.310 nan 0.000 0.552 442 V N 0.476 119.905 119.914 -0.809 0.000 3.573 442 V HA 0.112 4.238 4.120 0.010 0.000 0.270 442 V C 1.866 177.793 176.094 -0.279 0.000 1.221 442 V CA 1.324 63.241 62.300 -0.638 0.000 1.163 442 V CB -0.795 30.824 31.823 -0.339 0.000 0.847 442 V HN 0.900 nan 8.190 nan 0.000 0.468 443 E N 0.257 120.309 120.200 -0.246 0.000 2.372 443 E HA -0.012 4.344 4.350 0.010 0.000 0.201 443 E C 0.568 177.108 176.600 -0.099 0.000 0.938 443 E CA 0.741 57.058 56.400 -0.138 0.000 0.944 443 E CB 0.413 30.041 29.700 -0.120 0.000 0.937 443 E HN 0.739 nan 8.360 nan 0.000 0.495 444 D N 0.789 121.121 120.400 -0.114 0.000 2.788 444 D HA 0.121 4.767 4.640 0.010 0.000 0.289 444 D C 0.427 176.702 176.300 -0.041 0.000 1.340 444 D CA -0.411 53.552 54.000 -0.062 0.000 0.831 444 D CB -0.592 40.175 40.800 -0.054 0.000 1.103 444 D HN 0.259 nan 8.370 nan 0.000 0.476 445 I N -2.944 117.602 120.570 -0.039 0.000 2.834 445 I HA 0.513 4.689 4.170 0.010 0.000 0.305 445 I C -2.166 173.956 176.117 0.009 0.000 1.008 445 I CA -2.455 58.843 61.300 -0.002 0.000 1.273 445 I CB 0.484 38.504 38.000 0.033 0.000 1.432 445 I HN -0.295 nan 8.210 nan 0.000 0.557 446 P HA 0.077 nan 4.420 nan 0.000 0.269 446 P C -0.867 176.463 177.300 0.049 0.000 1.252 446 P CA -0.135 62.988 63.100 0.037 0.000 0.780 446 P CB 0.503 32.193 31.700 -0.016 0.000 0.829 447 C N 5.258 124.648 119.300 0.150 0.000 2.408 447 C HA 0.660 5.126 4.460 0.010 0.000 0.321 447 C C 0.533 175.688 174.990 0.275 0.000 1.245 447 C CA -0.304 58.835 59.018 0.202 0.000 1.523 447 C CB 0.438 28.261 27.740 0.139 0.000 2.178 447 C HN 0.567 nan 8.230 nan 0.000 0.488 448 V N 3.497 123.602 119.914 0.319 0.000 3.770 448 V HA 1.073 5.199 4.120 0.010 0.000 0.288 448 V C -0.008 176.268 176.094 0.304 0.000 1.291 448 V CA -0.077 62.362 62.300 0.232 0.000 0.948 448 V CB 1.066 32.957 31.823 0.115 0.000 1.269 448 V HN 1.779 nan 8.190 nan 0.000 0.469 449 A N -0.880 122.052 122.820 0.186 0.000 2.577 449 A HA 0.742 5.068 4.320 0.010 0.000 0.297 449 A C -1.429 176.163 177.584 0.014 0.000 1.060 449 A CA -0.240 51.882 52.037 0.142 0.000 0.697 449 A CB 1.711 20.900 19.000 0.315 0.000 1.281 449 A HN 1.504 nan 8.150 nan 0.000 0.402 450 V N 2.875 122.737 119.914 -0.087 0.000 2.385 450 V HA 0.479 4.605 4.120 0.010 0.000 0.277 450 V C -0.670 175.299 176.094 -0.208 0.000 1.012 450 V CA -0.244 61.993 62.300 -0.105 0.000 0.832 450 V CB 1.075 32.863 31.823 -0.058 0.000 1.028 450 V HN 1.049 nan 8.190 nan 0.000 0.436 451 E N 3.543 123.565 120.200 -0.297 0.000 2.244 451 E HA 0.903 5.259 4.350 0.010 0.000 0.266 451 E C -0.119 176.313 176.600 -0.280 0.000 0.914 451 E CA -0.804 55.316 56.400 -0.467 0.000 0.794 451 E CB 2.365 31.419 29.700 -1.076 0.000 1.210 451 E HN 0.483 nan 8.360 nan 0.000 0.414 452 A N 1.759 124.435 122.820 -0.240 0.000 2.709 452 A HA 0.677 5.003 4.320 0.010 0.000 0.241 452 A C 0.622 178.135 177.584 -0.119 0.000 0.879 452 A CA -0.040 51.913 52.037 -0.140 0.000 1.120 452 A CB -0.617 18.331 19.000 -0.087 0.000 1.226 452 A HN 1.401 nan 8.150 nan 0.000 0.468 453 G N 0.379 109.080 108.800 -0.164 0.000 2.829 453 G HA2 -0.026 3.940 3.960 0.010 0.000 0.628 453 G HA3 -0.026 3.940 3.960 0.010 0.000 0.628 453 G C -2.859 172.005 174.900 -0.060 0.000 1.412 453 G CA -0.550 44.491 45.100 -0.098 0.000 0.864 453 G HN 0.323 nan 8.290 nan 0.000 0.544 454 P HA 0.348 nan 4.420 nan 0.000 0.261 454 P C 0.332 177.637 177.300 0.007 0.000 1.183 454 P CA 0.396 63.500 63.100 0.007 0.000 0.761 454 P CB 0.117 31.829 31.700 0.019 0.000 0.785 455 I N 2.139 122.717 120.570 0.013 0.000 2.908 455 I HA 0.120 4.296 4.170 0.010 0.000 0.319 455 I C 1.224 177.348 176.117 0.011 0.000 1.471 455 I CA -0.167 61.150 61.300 0.029 0.000 0.809 455 I CB 0.376 38.406 38.000 0.051 0.000 2.186 455 I HN 0.271 nan 8.210 nan 0.000 0.607 456 E N 1.350 121.550 120.200 0.001 0.000 2.147 456 E HA -0.255 4.101 4.350 0.010 0.000 0.199 456 E C 1.957 178.517 176.600 -0.067 0.000 1.005 456 E CA 1.492 57.880 56.400 -0.020 0.000 0.810 456 E CB 0.149 29.841 29.700 -0.012 0.000 0.736 456 E HN 0.590 nan 8.360 nan 0.000 0.460 457 I N 0.616 121.140 120.570 -0.076 0.000 3.102 457 I HA -0.216 3.960 4.170 0.010 0.000 0.278 457 I C 1.875 177.715 176.117 -0.461 0.000 1.316 457 I CA 0.853 62.044 61.300 -0.183 0.000 1.425 457 I CB 0.012 37.972 38.000 -0.066 0.000 1.073 457 I HN 0.120 nan 8.210 nan 0.000 0.503 458 M N -0.911 118.502 119.600 -0.311 0.000 2.334 458 M HA 0.056 4.542 4.480 0.010 0.000 0.266 458 M C 1.963 178.127 176.300 -0.228 0.000 1.082 458 M CA 1.239 56.327 55.300 -0.352 0.000 1.141 458 M CB -0.403 32.165 32.600 -0.054 0.000 1.380 458 M HN 0.399 nan 8.290 nan 0.000 0.440 459 G N -0.890 107.826 108.800 -0.140 0.000 2.880 459 G HA2 -0.087 3.879 3.960 0.010 0.000 0.209 459 G HA3 -0.087 3.879 3.960 0.010 0.000 0.209 459 G C 0.649 175.488 174.900 -0.102 0.000 1.157 459 G CA 0.193 45.243 45.100 -0.083 0.000 0.779 459 G HN 0.293 nan 8.290 nan 0.000 0.539 460 D N 0.300 120.603 120.400 -0.163 0.000 2.325 460 D HA 0.191 4.836 4.640 0.010 0.000 0.234 460 D C 0.183 176.383 176.300 -0.167 0.000 1.122 460 D CA 0.035 53.949 54.000 -0.144 0.000 0.850 460 D CB 0.615 41.332 40.800 -0.137 0.000 0.921 460 D HN 0.315 nan 8.370 nan 0.000 0.513 461 I N -0.340 120.122 120.570 -0.180 0.000 2.647 461 I HA 0.194 4.369 4.170 0.010 0.000 0.295 461 I C -0.436 175.662 176.117 -0.032 0.000 1.078 461 I CA -0.422 60.797 61.300 -0.136 0.000 1.048 461 I CB 2.384 40.261 38.000 -0.204 0.000 1.239 461 I HN -0.306 nan 8.210 nan 0.000 0.421 462 T N 4.803 119.356 114.554 -0.003 0.000 2.913 462 T HA 0.524 4.880 4.350 0.010 0.000 0.287 462 T C 0.574 175.407 174.700 0.222 0.000 1.008 462 T CA 0.728 62.868 62.100 0.068 0.000 1.067 462 T CB 1.003 69.900 68.868 0.048 0.000 0.996 462 T HN 1.277 nan 8.240 nan 0.000 0.513 463 A N 2.709 125.658 122.820 0.214 0.000 2.945 463 A HA -0.157 4.169 4.320 0.010 0.000 0.251 463 A C 1.870 179.604 177.584 0.250 0.000 1.355 463 A CA 1.357 53.558 52.037 0.275 0.000 0.905 463 A CB -2.402 16.956 19.000 0.597 0.000 1.104 463 A HN 0.794 nan 8.150 nan 0.000 0.733 464 S N -1.160 114.673 115.700 0.222 0.000 2.368 464 S HA 0.091 4.567 4.470 0.010 0.000 0.224 464 S C 2.049 176.671 174.600 0.036 0.000 1.029 464 S CA 2.134 60.479 58.200 0.242 0.000 0.988 464 S CB -0.353 62.964 63.200 0.194 0.000 0.838 464 S HN 1.513 nan 8.310 nan 0.000 0.462 465 G N -0.107 108.654 108.800 -0.064 0.000 2.403 465 G HA2 -0.155 3.811 3.960 0.010 0.000 0.216 465 G HA3 -0.155 3.811 3.960 0.010 0.000 0.216 465 G C 1.600 176.323 174.900 -0.295 0.000 1.154 465 G CA 0.980 45.975 45.100 -0.175 0.000 0.784 465 G HN 0.604 nan 8.290 nan 0.000 0.538 466 C N 0.480 119.565 119.300 -0.359 0.000 2.411 466 C HA 0.024 4.489 4.460 0.010 0.000 0.279 466 C C 3.288 177.875 174.990 -0.671 0.000 1.288 466 C CA 1.242 59.845 59.018 -0.692 0.000 1.764 466 C CB -0.746 26.284 27.740 -1.183 0.000 1.974 466 C HN 0.375 nan 8.230 nan 0.000 0.498 467 S N 0.253 115.689 115.700 -0.439 0.000 2.458 467 S HA 0.001 4.477 4.470 0.010 0.000 0.223 467 S C 1.651 175.970 174.600 -0.468 0.000 1.019 467 S CA 0.328 58.342 58.200 -0.311 0.000 0.937 467 S CB -0.231 62.691 63.200 -0.464 0.000 0.788 467 S HN 0.558 nan 8.310 nan 0.000 0.511 468 L N 2.194 122.903 121.223 -0.858 0.000 2.131 468 L HA 0.045 4.391 4.340 0.010 0.000 0.210 468 L C 1.998 178.560 176.870 -0.513 0.000 1.092 468 L CA 2.013 56.147 54.840 -1.176 0.000 0.759 468 L CB -1.251 40.260 42.059 -0.914 0.000 0.903 468 L HN 0.264 nan 8.230 nan 0.000 0.435 469 G N -1.233 107.351 108.800 -0.360 0.000 2.453 469 G HA2 -0.252 3.714 3.960 0.010 0.000 0.215 469 G HA3 -0.252 3.714 3.960 0.010 0.000 0.215 469 G C 1.518 176.336 174.900 -0.137 0.000 1.201 469 G CA 0.844 45.808 45.100 -0.228 0.000 0.784 469 G HN 0.482 nan 8.290 nan 0.000 0.545 470 S N 0.281 115.950 115.700 -0.052 0.000 2.400 470 S HA -0.192 4.284 4.470 0.010 0.000 0.234 470 S C 2.426 177.046 174.600 0.034 0.000 1.049 470 S CA 1.884 60.141 58.200 0.095 0.000 1.039 470 S CB -0.542 62.792 63.200 0.223 0.000 0.856 470 S HN 0.477 nan 8.310 nan 0.000 0.465 471 T N 2.592 117.133 114.554 -0.023 0.000 2.732 471 T HA 0.096 4.452 4.350 0.010 0.000 0.261 471 T C 1.794 176.492 174.700 -0.005 0.000 1.040 471 T CA 1.167 63.274 62.100 0.013 0.000 1.145 471 T CB -0.410 68.487 68.868 0.050 0.000 0.866 471 T HN 0.366 nan 8.240 nan 0.000 0.427 472 I N 1.726 122.264 120.570 -0.054 0.000 2.248 472 I HA -0.212 3.964 4.170 0.010 0.000 0.248 472 I C 2.928 179.039 176.117 -0.011 0.000 1.107 472 I CA 1.219 62.502 61.300 -0.029 0.000 1.373 472 I CB -0.708 37.260 38.000 -0.053 0.000 1.055 472 I HN 0.185 nan 8.210 nan 0.000 0.418 473 A N 0.249 123.051 122.820 -0.031 0.000 1.933 473 A HA -0.204 4.122 4.320 0.010 0.000 0.218 473 A C 2.450 180.044 177.584 0.017 0.000 1.175 473 A CA 1.805 53.825 52.037 -0.028 0.000 0.628 473 A CB -1.097 17.857 19.000 -0.078 0.000 0.814 473 A HN 0.555 nan 8.150 nan 0.000 0.444 474 C N -0.803 118.518 119.300 0.035 0.000 2.450 474 C HA -0.031 4.435 4.460 0.010 0.000 0.279 474 C C 2.835 177.855 174.990 0.050 0.000 1.335 474 C CA 1.098 60.147 59.018 0.053 0.000 1.749 474 C CB -0.909 26.868 27.740 0.061 0.000 1.963 474 C HN 0.570 nan 8.230 nan 0.000 0.501 475 M N 0.626 120.255 119.600 0.049 0.000 2.236 475 M HA 0.050 4.535 4.480 0.010 0.000 0.266 475 M C 1.903 178.238 176.300 0.059 0.000 1.070 475 M CA 1.589 56.922 55.300 0.055 0.000 1.137 475 M CB -1.122 31.514 32.600 0.059 0.000 1.378 475 M HN 0.370 nan 8.290 nan 0.000 0.426 476 I N -0.449 120.157 120.570 0.059 0.000 2.439 476 I HA -0.070 4.106 4.170 0.010 0.000 0.251 476 I C 2.617 178.787 176.117 0.087 0.000 1.139 476 I CA 0.998 62.339 61.300 0.069 0.000 1.438 476 I CB -1.261 36.777 38.000 0.064 0.000 1.085 476 I HN 0.270 nan 8.210 nan 0.000 0.427 477 G N 1.455 110.308 108.800 0.087 0.000 2.491 477 G HA2 -0.241 3.725 3.960 0.010 0.000 0.218 477 G HA3 -0.241 3.725 3.960 0.010 0.000 0.218 477 G C 1.760 176.750 174.900 0.150 0.000 1.180 477 G CA 1.016 46.193 45.100 0.128 0.000 0.774 477 G HN 0.485 nan 8.290 nan 0.000 0.562 478 G N -0.015 108.820 108.800 0.059 0.000 2.442 478 G HA2 -0.109 3.857 3.960 0.010 0.000 0.219 478 G HA3 -0.109 3.857 3.960 0.010 0.000 0.219 478 G C 0.959 175.881 174.900 0.035 0.000 1.141 478 G CA 0.458 45.549 45.100 -0.014 0.000 0.763 478 G HN 0.376 nan 8.290 nan 0.000 0.554 479 Q N 1.325 121.174 119.800 0.083 0.000 2.304 479 Q HA 0.142 4.487 4.340 0.010 0.000 0.315 479 Q C -1.918 174.168 176.000 0.143 0.000 1.075 479 Q CA -0.730 55.129 55.803 0.093 0.000 0.988 479 Q CB 0.969 29.754 28.738 0.079 0.000 1.146 479 Q HN 0.311 nan 8.270 nan 0.000 0.383 480 P HA 0.202 nan 4.420 nan 0.000 0.289 480 P C 0.407 177.742 177.300 0.058 0.000 1.300 480 P CA -0.514 62.658 63.100 0.121 0.000 0.828 480 P CB 0.949 32.710 31.700 0.103 0.000 1.235 481 S N -0.054 115.666 115.700 0.033 0.000 2.368 481 S HA -0.220 4.256 4.470 0.010 0.000 0.226 481 S C 1.301 175.906 174.600 0.007 0.000 1.044 481 S CA 2.132 60.335 58.200 0.005 0.000 1.062 481 S CB -0.994 62.204 63.200 -0.003 0.000 0.931 481 S HN 0.504 nan 8.310 nan 0.000 0.440 482 E N 1.306 121.518 120.200 0.020 0.000 2.516 482 E HA 0.223 4.579 4.350 0.010 0.000 0.199 482 E C 1.252 177.872 176.600 0.033 0.000 1.069 482 E CA 0.414 56.827 56.400 0.022 0.000 0.876 482 E CB -0.818 28.897 29.700 0.025 0.000 0.843 482 E HN 0.533 nan 8.360 nan 0.000 0.530 483 G N 1.062 109.884 108.800 0.037 0.000 2.504 483 G HA2 -0.031 3.934 3.960 0.010 0.000 0.291 483 G HA3 -0.031 3.934 3.960 0.010 0.000 0.291 483 G C -0.249 174.682 174.900 0.052 0.000 1.345 483 G CA -0.183 44.947 45.100 0.051 0.000 1.090 483 G HN 0.318 nan 8.290 nan 0.000 0.591 484 N N -1.796 116.946 118.700 0.069 0.000 2.542 484 N HA 0.213 4.959 4.740 0.010 0.000 0.288 484 N C 0.624 176.179 175.510 0.074 0.000 1.115 484 N CA -0.695 52.393 53.050 0.064 0.000 0.924 484 N CB 1.460 39.998 38.487 0.085 0.000 1.526 484 N HN 0.302 nan 8.380 nan 0.000 0.515 485 L N 4.202 125.463 121.223 0.064 0.000 2.079 485 L HA 0.092 4.438 4.340 0.010 0.000 0.210 485 L C 1.359 178.336 176.870 0.178 0.000 1.081 485 L CA 1.776 56.675 54.840 0.098 0.000 0.752 485 L CB -0.919 41.186 42.059 0.076 0.000 0.896 485 L HN 0.734 nan 8.230 nan 0.000 0.433 486 F N 0.254 120.175 119.950 -0.048 0.000 2.014 486 F HA -0.212 4.319 4.527 0.006 0.000 0.295 486 F C 2.731 178.535 175.800 0.006 0.000 1.145 486 F CA 2.042 60.007 58.000 -0.059 0.000 1.178 486 F CB -1.087 37.806 39.000 -0.178 0.000 0.972 486 F HN 0.266 nan 8.300 nan 0.000 0.476 487 H N 0.227 119.263 119.070 -0.057 0.000 2.394 487 H HA -0.151 4.410 4.556 0.007 0.000 0.297 487 H C 2.281 177.556 175.328 -0.087 0.000 1.113 487 H CA 1.419 57.357 56.048 -0.183 0.000 1.277 487 H CB -1.251 28.469 29.762 -0.070 0.000 1.370 487 H HN 0.362 nan 8.280 nan 0.000 0.506 488 A N 0.443 123.330 122.820 0.112 0.000 1.933 488 A HA -0.081 4.244 4.320 0.010 0.000 0.218 488 A C 2.859 180.483 177.584 0.067 0.000 1.175 488 A CA 1.503 53.592 52.037 0.087 0.000 0.628 488 A CB -0.645 18.408 19.000 0.089 0.000 0.814 488 A HN 0.243 nan 8.150 nan 0.000 0.444 489 V N -0.415 119.544 119.914 0.074 0.000 2.323 489 V HA -0.189 3.937 4.120 0.010 0.000 0.244 489 V C 2.562 178.669 176.094 0.021 0.000 1.041 489 V CA 1.851 64.192 62.300 0.068 0.000 1.025 489 V CB -0.674 31.232 31.823 0.138 0.000 0.656 489 V HN 0.369 nan 8.190 nan 0.000 0.451 490 V N 0.536 120.414 119.914 -0.059 0.000 2.407 490 V HA -0.258 3.868 4.120 0.010 0.000 0.248 490 V C 2.699 178.787 176.094 -0.010 0.000 1.055 490 V CA 1.811 64.053 62.300 -0.097 0.000 1.049 490 V CB -1.348 30.307 31.823 -0.281 0.000 0.662 490 V HN 0.538 nan 8.190 nan 0.000 0.455 491 A N 1.139 123.972 122.820 0.021 0.000 1.852 491 A HA -0.215 4.111 4.320 0.010 0.000 0.217 491 A C 2.498 180.147 177.584 0.109 0.000 1.215 491 A CA 2.404 54.495 52.037 0.089 0.000 0.641 491 A CB -1.610 17.445 19.000 0.091 0.000 0.838 491 A HN 0.542 nan 8.150 nan 0.000 0.450 492 G N -1.189 107.656 108.800 0.075 0.000 2.485 492 G HA2 -0.116 3.850 3.960 0.010 0.000 0.221 492 G HA3 -0.116 3.850 3.960 0.010 0.000 0.221 492 G C 1.420 176.356 174.900 0.059 0.000 1.115 492 G CA 1.323 46.460 45.100 0.062 0.000 0.751 492 G HN 0.386 nan 8.290 nan 0.000 0.567 493 V N 1.094 121.034 119.914 0.043 0.000 2.453 493 V HA -0.112 4.014 4.120 0.010 0.000 0.247 493 V C 2.855 178.987 176.094 0.064 0.000 1.048 493 V CA 1.467 63.791 62.300 0.040 0.000 1.049 493 V CB -0.240 31.593 31.823 0.017 0.000 0.672 493 V HN 0.297 nan 8.190 nan 0.000 0.457 494 M N -0.598 119.044 119.600 0.070 0.000 2.218 494 M HA -0.151 4.335 4.480 0.010 0.000 0.262 494 M C 2.294 178.567 176.300 -0.046 0.000 1.081 494 M CA 1.758 57.107 55.300 0.081 0.000 1.100 494 M CB -1.421 31.322 32.600 0.239 0.000 1.258 494 M HN 0.222 nan 8.290 nan 0.000 0.438 495 L N -0.793 120.354 121.223 -0.126 0.000 2.149 495 L HA -0.350 3.996 4.340 0.010 0.000 0.223 495 L C 2.622 179.335 176.870 -0.263 0.000 1.089 495 L CA 1.992 56.568 54.840 -0.440 0.000 0.800 495 L CB -0.511 41.431 42.059 -0.197 0.000 0.897 495 L HN 0.237 nan 8.230 nan 0.000 0.443 496 Y N 0.127 120.320 120.300 -0.178 0.000 2.114 496 Y HA -0.302 4.253 4.550 0.009 0.000 0.284 496 Y C 2.680 178.513 175.900 -0.111 0.000 1.119 496 Y CA 2.182 60.211 58.100 -0.120 0.000 1.108 496 Y CB -0.191 38.229 38.460 -0.067 0.000 0.995 496 Y HN 0.010 nan 8.280 nan 0.000 0.491 497 K N 0.322 120.755 120.400 0.056 0.000 2.160 497 K HA -0.192 4.134 4.320 0.010 0.000 0.206 497 K C 2.015 178.546 176.600 -0.115 0.000 1.047 497 K CA 1.190 57.468 56.287 -0.016 0.000 0.930 497 K CB -0.513 31.988 32.500 0.002 0.000 0.720 497 K HN 0.408 nan 8.250 nan 0.000 0.450 498 A N 0.673 123.377 122.820 -0.193 0.000 1.828 498 A HA -0.112 4.214 4.320 0.010 0.000 0.215 498 A C 2.356 179.754 177.584 -0.309 0.000 1.203 498 A CA 2.106 53.967 52.037 -0.292 0.000 0.614 498 A CB -1.406 17.224 19.000 -0.616 0.000 0.844 498 A HN 0.395 nan 8.150 nan 0.000 0.445 499 A N -0.729 121.860 122.820 -0.385 0.000 2.131 499 A HA 0.107 4.433 4.320 0.010 0.000 0.220 499 A C 2.223 179.614 177.584 -0.322 0.000 1.158 499 A CA 1.925 53.753 52.037 -0.349 0.000 0.665 499 A CB -1.268 17.515 19.000 -0.362 0.000 0.795 499 A HN 0.793 nan 8.150 nan 0.000 0.460 500 G N -0.237 108.397 108.800 -0.276 0.000 2.414 500 G HA2 -0.204 3.762 3.960 0.010 0.000 0.215 500 G HA3 -0.204 3.762 3.960 0.010 0.000 0.215 500 G C 1.690 176.528 174.900 -0.102 0.000 1.188 500 G CA 1.122 46.136 45.100 -0.144 0.000 0.783 500 G HN 0.376 nan 8.290 nan 0.000 0.537 501 K N 0.833 121.174 120.400 -0.100 0.000 2.001 501 K HA -0.030 4.296 4.320 0.010 0.000 0.214 501 K C 2.537 179.074 176.600 -0.104 0.000 1.050 501 K CA 0.986 57.229 56.287 -0.072 0.000 0.934 501 K CB -0.910 31.549 32.500 -0.068 0.000 0.718 501 K HN 0.425 nan 8.250 nan 0.000 0.443 502 I N 0.517 120.999 120.570 -0.146 0.000 2.068 502 I HA -0.370 3.805 4.170 0.010 0.000 0.238 502 I C 2.317 178.306 176.117 -0.213 0.000 1.046 502 I CA 1.721 62.926 61.300 -0.158 0.000 1.306 502 I CB -0.630 37.267 38.000 -0.171 0.000 1.023 502 I HN 0.155 nan 8.210 nan 0.000 0.399 503 A N 1.029 123.643 122.820 -0.343 0.000 1.958 503 A HA -0.288 4.038 4.320 0.010 0.000 0.221 503 A C 2.494 179.784 177.584 -0.490 0.000 1.178 503 A CA 2.758 54.468 52.037 -0.545 0.000 0.642 503 A CB -1.005 17.404 19.000 -0.985 0.000 0.816 503 A HN 0.627 nan 8.150 nan 0.000 0.453 504 S N 0.043 115.561 115.700 -0.303 0.000 2.368 504 S HA -0.215 4.261 4.470 0.010 0.000 0.225 504 S C 1.613 176.208 174.600 -0.009 0.000 1.030 504 S CA 1.512 59.723 58.200 0.018 0.000 0.999 504 S CB -0.571 62.719 63.200 0.150 0.000 0.844 504 S HN 0.694 nan 8.310 nan 0.000 0.459 505 E N 1.265 121.434 120.200 -0.051 0.000 2.274 505 E HA 0.033 4.389 4.350 0.010 0.000 0.194 505 E C 1.561 178.134 176.600 -0.044 0.000 0.996 505 E CA 0.726 57.105 56.400 -0.036 0.000 0.840 505 E CB -0.009 29.666 29.700 -0.040 0.000 0.772 505 E HN 0.593 nan 8.360 nan 0.000 0.491 506 K N 0.217 120.571 120.400 -0.077 0.000 2.373 506 K HA 0.133 4.459 4.320 0.010 0.000 0.202 506 K C 0.505 177.067 176.600 -0.063 0.000 1.025 506 K CA -0.058 56.185 56.287 -0.072 0.000 1.115 506 K CB 0.489 32.933 32.500 -0.095 0.000 0.858 506 K HN 0.172 nan 8.250 nan 0.000 0.525 507 C N -0.377 118.895 119.300 -0.047 0.000 2.548 507 C HA 0.445 4.911 4.460 0.010 0.000 0.412 507 C C 0.827 175.823 174.990 0.009 0.000 1.588 507 C CA -0.877 58.132 59.018 -0.015 0.000 1.861 507 C CB 0.513 28.269 27.740 0.027 0.000 1.983 507 C HN 0.437 nan 8.230 nan 0.000 0.497 508 N N -0.289 118.423 118.700 0.021 0.000 2.081 508 N HA 0.392 5.137 4.740 0.010 0.000 0.230 508 N C 0.272 175.798 175.510 0.026 0.000 1.351 508 N CA 0.481 53.543 53.050 0.019 0.000 0.840 508 N CB 1.384 39.875 38.487 0.006 0.000 1.189 508 N HN 1.049 nan 8.380 nan 0.000 0.503 509 G N 0.424 109.251 108.800 0.045 0.000 2.510 509 G HA2 0.258 4.224 3.960 0.010 0.000 0.277 509 G HA3 0.258 4.224 3.960 0.010 0.000 0.277 509 G C -0.384 174.555 174.900 0.065 0.000 1.223 509 G CA -0.054 45.070 45.100 0.039 0.000 0.887 509 G HN -0.062 nan 8.290 nan 0.000 0.485 510 S N -0.307 115.409 115.700 0.026 0.000 2.327 510 S HA 0.130 4.606 4.470 0.010 0.000 0.213 510 S C 2.455 177.080 174.600 0.042 0.000 1.032 510 S CA 1.622 59.828 58.200 0.010 0.000 0.960 510 S CB -0.765 62.413 63.200 -0.038 0.000 0.900 510 S HN 1.112 nan 8.310 nan 0.000 0.469 511 G N 1.249 110.053 108.800 0.007 0.000 2.505 511 G HA2 -0.281 3.685 3.960 0.010 0.000 0.220 511 G HA3 -0.281 3.685 3.960 0.010 0.000 0.220 511 G C 1.616 176.521 174.900 0.008 0.000 1.145 511 G CA 1.580 46.675 45.100 -0.009 0.000 0.761 511 G HN 0.550 nan 8.290 nan 0.000 0.571 512 S N -0.475 115.241 115.700 0.026 0.000 2.402 512 S HA -0.061 4.415 4.470 0.010 0.000 0.229 512 S C 2.073 176.692 174.600 0.032 0.000 1.021 512 S CA 1.225 59.433 58.200 0.015 0.000 0.974 512 S CB -0.408 62.797 63.200 0.009 0.000 0.800 512 S HN 0.409 nan 8.310 nan 0.000 0.484 513 F N 1.958 121.873 119.950 -0.058 0.000 2.126 513 F HA -0.130 4.403 4.527 0.009 0.000 0.299 513 F C 2.579 178.337 175.800 -0.070 0.000 1.096 513 F CA 2.186 60.151 58.000 -0.058 0.000 1.255 513 F CB -0.455 38.514 39.000 -0.051 0.000 0.997 513 F HN 0.318 nan 8.300 nan 0.000 0.479 514 Q N -0.190 119.756 119.800 0.244 0.000 2.084 514 Q HA -0.204 4.142 4.340 0.010 0.000 0.202 514 Q C 2.328 178.308 176.000 -0.033 0.000 0.978 514 Q CA 1.916 57.771 55.803 0.086 0.000 0.844 514 Q CB -0.360 28.281 28.738 -0.162 0.000 0.898 514 Q HN 0.442 nan 8.270 nan 0.000 0.426 515 V N 0.398 120.279 119.914 -0.055 0.000 2.667 515 V HA -0.150 3.976 4.120 0.010 0.000 0.252 515 V C 1.696 177.741 176.094 -0.082 0.000 1.065 515 V CA 1.701 63.965 62.300 -0.060 0.000 1.083 515 V CB -0.205 31.585 31.823 -0.054 0.000 0.692 515 V HN 0.340 nan 8.190 nan 0.000 0.468 516 E N -0.013 120.102 120.200 -0.142 0.000 2.158 516 E HA -0.069 4.287 4.350 0.010 0.000 0.191 516 E C 2.112 178.565 176.600 -0.245 0.000 0.982 516 E CA 1.140 57.422 56.400 -0.197 0.000 0.823 516 E CB -0.232 29.313 29.700 -0.259 0.000 0.766 516 E HN 0.617 nan 8.360 nan 0.000 0.468 517 L N 0.774 121.815 121.223 -0.305 0.000 1.976 517 L HA -0.186 4.160 4.340 0.010 0.000 0.209 517 L C 2.393 179.208 176.870 -0.092 0.000 1.071 517 L CA 1.307 55.999 54.840 -0.247 0.000 0.746 517 L CB -0.359 41.640 42.059 -0.100 0.000 0.890 517 L HN 0.106 nan 8.230 nan 0.000 0.432 518 I N 0.035 120.619 120.570 0.024 0.000 2.194 518 I HA -0.373 3.803 4.170 0.010 0.000 0.246 518 I C 2.077 178.217 176.117 0.038 0.000 1.093 518 I CA 1.612 62.955 61.300 0.072 0.000 1.355 518 I CB -0.577 37.484 38.000 0.101 0.000 1.046 518 I HN 0.365 nan 8.210 nan 0.000 0.413 519 D N 0.981 121.383 120.400 0.004 0.000 2.117 519 D HA -0.112 4.534 4.640 0.010 0.000 0.198 519 D C 2.284 178.600 176.300 0.026 0.000 0.982 519 D CA 1.525 55.550 54.000 0.041 0.000 0.828 519 D CB -0.202 40.597 40.800 -0.001 0.000 0.967 519 D HN 0.327 nan 8.370 nan 0.000 0.464 520 A N 0.507 123.285 122.820 -0.070 0.000 1.908 520 A HA -0.171 4.155 4.320 0.010 0.000 0.218 520 A C 2.353 179.864 177.584 -0.121 0.000 1.181 520 A CA 1.116 53.079 52.037 -0.124 0.000 0.627 520 A CB -0.804 18.073 19.000 -0.205 0.000 0.818 520 A HN 0.230 nan 8.150 nan 0.000 0.445 521 L N -2.409 118.760 121.223 -0.091 0.000 2.005 521 L HA -0.186 4.159 4.340 0.010 0.000 0.207 521 L C 2.589 179.466 176.870 0.012 0.000 1.072 521 L CA 1.836 56.635 54.840 -0.068 0.000 0.744 521 L CB -0.777 41.268 42.059 -0.024 0.000 0.895 521 L HN 0.551 nan 8.230 nan 0.000 0.433 522 Y N 0.956 121.225 120.300 -0.051 0.000 2.193 522 Y HA -0.284 4.272 4.550 0.010 0.000 0.285 522 Y C 2.712 178.598 175.900 -0.023 0.000 1.166 522 Y CA 1.569 59.653 58.100 -0.027 0.000 1.181 522 Y CB -0.202 38.245 38.460 -0.021 0.000 0.976 522 Y HN 0.012 nan 8.280 nan 0.000 0.520 523 R N -1.113 119.313 120.500 -0.123 0.000 2.052 523 R HA -0.102 4.243 4.340 0.010 0.000 0.226 523 R C 2.110 178.334 176.300 -0.128 0.000 1.145 523 R CA 1.006 56.996 56.100 -0.183 0.000 0.952 523 R CB -0.781 29.471 30.300 -0.079 0.000 0.847 523 R HN 0.246 nan 8.270 nan 0.000 0.431 524 L N 1.209 122.374 121.223 -0.097 0.000 2.054 524 L HA -0.286 4.060 4.340 0.010 0.000 0.220 524 L C 2.540 179.450 176.870 0.068 0.000 1.081 524 L CA 2.542 57.349 54.840 -0.056 0.000 0.780 524 L CB -1.466 40.431 42.059 -0.271 0.000 0.893 524 L HN 0.459 nan 8.230 nan 0.000 0.438 525 T N -3.838 110.717 114.554 0.001 0.000 2.735 525 T HA -0.174 4.182 4.350 0.010 0.000 0.256 525 T C 2.042 176.747 174.700 0.009 0.000 1.042 525 T CA 0.757 62.889 62.100 0.054 0.000 1.147 525 T CB -0.374 68.507 68.868 0.022 0.000 0.865 525 T HN 0.051 nan 8.240 nan 0.000 0.421 526 R N 2.083 122.526 120.500 -0.095 0.000 2.185 526 R HA -0.094 4.252 4.340 0.010 0.000 0.247 526 R C 2.545 178.808 176.300 -0.062 0.000 1.159 526 R CA 1.815 57.845 56.100 -0.117 0.000 0.988 526 R CB -0.422 29.725 30.300 -0.255 0.000 0.871 526 R HN 0.890 nan 8.270 nan 0.000 0.458 527 E N -0.854 119.328 120.200 -0.030 0.000 2.276 527 E HA -0.103 4.253 4.350 0.010 0.000 0.193 527 E C 0.200 176.822 176.600 0.037 0.000 0.983 527 E CA 0.379 56.781 56.400 0.003 0.000 0.861 527 E CB 0.000 29.707 29.700 0.012 0.000 0.817 527 E HN 0.088 nan 8.360 nan 0.000 0.485 528 N N 1.494 120.253 118.700 0.099 0.000 2.710 528 N HA -0.150 4.596 4.740 0.010 0.000 0.249 528 N C -1.140 174.351 175.510 -0.031 0.000 1.059 528 N CA 1.348 54.450 53.050 0.086 0.000 0.720 528 N CB -1.544 36.959 38.487 0.027 0.000 0.983 528 N HN 0.480 nan 8.380 nan 0.000 0.544 529 T N -2.612 111.929 114.554 -0.022 0.000 3.262 529 T HA 0.519 4.875 4.350 0.010 0.000 0.374 529 T C -1.857 172.562 174.700 -0.468 0.000 1.504 529 T CA -1.686 60.314 62.100 -0.167 0.000 1.158 529 T CB 1.612 70.436 68.868 -0.072 0.000 1.157 529 T HN -0.091 nan 8.240 nan 0.000 0.644 530 P HA 0.121 nan 4.420 nan 0.000 0.234 530 P C 1.946 178.778 177.300 -0.780 0.000 1.167 530 P CA 0.317 62.484 63.100 -1.556 0.000 0.763 530 P CB -0.225 30.714 31.700 -1.268 0.000 0.835 531 V N -0.370 119.285 119.914 -0.432 0.000 2.332 531 V HA -0.322 3.804 4.120 0.010 0.000 0.248 531 V C 2.352 178.355 176.094 -0.153 0.000 1.055 531 V CA 3.083 65.244 62.300 -0.231 0.000 1.038 531 V CB -1.937 29.793 31.823 -0.155 0.000 0.651 531 V HN 0.121 nan 8.190 nan 0.000 0.450 532 T N -0.911 113.568 114.554 -0.124 0.000 2.652 532 T HA -0.124 4.232 4.350 0.010 0.000 0.267 532 T C 0.607 175.407 174.700 0.167 0.000 1.039 532 T CA 0.964 63.088 62.100 0.040 0.000 1.153 532 T CB -0.446 68.507 68.868 0.142 0.000 0.863 532 T HN 0.681 nan 8.240 nan 0.000 0.428 533 W N 1.348 122.624 121.300 -0.040 0.000 2.579 533 W HA 0.266 4.932 4.660 0.011 0.000 0.335 533 W C 1.659 178.152 176.519 -0.043 0.000 1.143 533 W CA -0.862 56.457 57.345 -0.043 0.000 1.323 533 W CB -0.663 28.772 29.460 -0.043 0.000 1.161 533 W HN 0.282 nan 8.180 nan 0.000 0.567 534 A N 4.530 127.449 122.820 0.165 0.000 1.972 534 A HA -0.076 4.250 4.320 0.010 0.000 0.219 534 A C -1.035 176.574 177.584 0.040 0.000 1.169 534 A CA 0.978 53.052 52.037 0.061 0.000 0.635 534 A CB -1.974 17.027 19.000 0.001 0.000 0.810 534 A HN 0.429 nan 8.150 nan 0.000 0.446 535 P HA 0.367 nan 4.420 nan 0.000 0.290 535 P C -1.264 176.043 177.300 0.010 0.000 1.276 535 P CA -0.287 62.818 63.100 0.009 0.000 0.808 535 P CB 1.104 32.813 31.700 0.015 0.000 0.966 536 K N 2.392 122.773 120.400 -0.032 0.000 2.234 536 K HA 0.339 4.665 4.320 0.010 0.000 0.277 536 K C -0.291 176.293 176.600 -0.026 0.000 1.038 536 K CA -0.860 55.413 56.287 -0.024 0.000 0.888 536 K CB 0.778 33.258 32.500 -0.034 0.000 1.091 536 K HN 0.309 nan 8.250 nan 0.000 0.467 537 L N 4.263 125.479 121.223 -0.011 0.000 2.302 537 L HA 0.167 4.513 4.340 0.010 0.000 0.285 537 L C 0.119 176.986 176.870 -0.005 0.000 1.090 537 L CA 0.266 55.096 54.840 -0.017 0.000 0.866 537 L CB 0.273 42.313 42.059 -0.032 0.000 1.244 537 L HN 0.740 nan 8.230 nan 0.000 0.435 538 T N 1.838 116.408 114.554 0.027 0.000 2.884 538 T HA 0.421 4.777 4.350 0.010 0.000 0.277 538 T C 0.082 174.813 174.700 0.052 0.000 0.976 538 T CA -0.429 61.720 62.100 0.083 0.000 0.956 538 T CB 0.692 69.651 68.868 0.152 0.000 1.113 538 T HN 0.547 nan 8.240 nan 0.000 0.554 539 H N -0.031 119.126 119.070 0.146 0.000 2.533 539 H HA 0.557 5.121 4.556 0.014 0.000 0.343 539 H C 0.977 176.408 175.328 0.171 0.000 1.160 539 H CA -0.004 56.137 56.048 0.155 0.000 1.218 539 H CB 1.426 31.259 29.762 0.119 0.000 1.566 539 H HN 1.109 nan 8.280 nan 0.000 0.522 540 T N 0.000 114.744 114.554 0.316 0.000 3.816 540 T HA 0.000 4.356 4.350 0.010 0.000 0.228 540 T CA 0.000 62.228 62.100 0.214 0.000 1.349 540 T CB 0.000 68.963 68.868 0.159 0.000 0.612 540 T HN 0.000 nan 8.240 nan 0.000 0.658