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 2qfy_1_D DATA FIRST_RESID 2 DATA SEQUENCE FSKIKVKQPV VELDGDEMTR IIWDKIKKKL ILPYLDVDLK YYDLSVESRD DATA SEQUENCE ATSDKITQDA AEAIKKYGVG IKCATITPDE ARVKEFNLHK MWKSPNGTIR DATA SEQUENCE NILGGTVFRE PIVIPRIPRL VPRWEKPIII GRHAHGDQYK ATDTLIPGPG DATA SEQUENCE SLELVYKPSD PTTAQPQTLK VYDYKGSGVA MAMYNTDESI EGFAHSSFKL DATA SEQUENCE AIDKKLNLFL STKNTILKKY DGRFKDIFQE VYEAQYKSKF EQLGIHYEHR DATA SEQUENCE LIDDMVAQMI KSKGGFIMAL KNYDGDVQSD IVAQGFGSLG LMTSILVTPD DATA SEQUENCE GKTFESEAAH GTVTRHYRKY QKGEETSTNS IASIFAWSRG LLKRGELDNT DATA SEQUENCE PALCKFANIL ESATLNTVQQ DGIMTKDLAL ACGNNERSAY VTTEEFLDAV DATA SEQUENCE EKRLQKEIKS I 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 F HA 0.000 nan 4.527 nan 0.000 0.279 2 F C 0.000 175.787 175.800 -0.022 0.000 0.967 2 F CA 0.000 57.998 58.000 -0.004 0.000 1.383 2 F CB 0.000 39.012 39.000 0.020 0.000 1.145 3 S N 5.785 120.967 115.700 -0.864 0.000 2.416 3 S HA 0.343 4.813 4.470 -0.000 0.000 0.302 3 S C -0.164 173.796 174.600 -1.067 0.000 1.120 3 S CA -0.454 57.319 58.200 -0.712 0.000 1.067 3 S CB -0.208 62.724 63.200 -0.447 0.000 1.057 3 S HN 0.585 nan 8.310 nan 0.000 0.518 4 K N 4.075 124.120 120.400 -0.591 0.000 2.489 4 K HA 0.112 4.432 4.320 -0.000 0.000 0.278 4 K C -0.057 176.394 176.600 -0.248 0.000 1.000 4 K CA 0.348 56.440 56.287 -0.325 0.000 1.012 4 K CB 0.341 32.760 32.500 -0.136 0.000 0.903 4 K HN 0.622 nan 8.250 nan 0.000 0.485 5 I N 3.360 123.850 120.570 -0.132 0.000 2.441 5 I HA 0.032 4.202 4.170 -0.000 0.000 0.287 5 I C 0.748 176.818 176.117 -0.079 0.000 1.049 5 I CA -0.269 60.976 61.300 -0.092 0.000 1.381 5 I CB 0.683 38.656 38.000 -0.044 0.000 1.409 5 I HN 0.242 nan 8.210 nan 0.000 0.523 6 K N 6.078 126.441 120.400 -0.062 0.000 2.285 6 K HA 0.285 4.605 4.320 -0.000 0.000 0.286 6 K C -0.953 175.633 176.600 -0.024 0.000 1.072 6 K CA -0.411 55.849 56.287 -0.045 0.000 0.913 6 K CB 1.210 33.686 32.500 -0.040 0.000 1.067 6 K HN 0.309 nan 8.250 nan 0.000 0.479 7 V N 5.968 125.872 119.914 -0.017 0.000 2.389 7 V HA 0.063 4.183 4.120 -0.000 0.000 0.264 7 V C 1.802 177.902 176.094 0.009 0.000 1.049 7 V CA -0.164 62.138 62.300 0.003 0.000 0.932 7 V CB 1.061 32.892 31.823 0.013 0.000 1.011 7 V HN 0.770 nan 8.190 nan 0.000 0.475 8 K N 3.512 123.922 120.400 0.017 0.000 2.020 8 K HA -0.136 4.184 4.320 -0.000 0.000 0.212 8 K C 0.795 177.414 176.600 0.033 0.000 1.050 8 K CA 1.361 57.662 56.287 0.023 0.000 0.929 8 K CB 0.191 32.708 32.500 0.028 0.000 0.714 8 K HN 0.628 nan 8.250 nan 0.000 0.443 9 Q N 0.499 120.327 119.800 0.046 0.000 2.257 9 Q HA 0.337 4.677 4.340 -0.000 0.000 0.262 9 Q C -2.396 173.623 176.000 0.031 0.000 0.997 9 Q CA -2.454 53.386 55.803 0.061 0.000 0.873 9 Q CB 1.444 30.244 28.738 0.102 0.000 1.312 9 Q HN 0.215 nan 8.270 nan 0.000 0.450 10 P HA 0.122 nan 4.420 nan 0.000 0.272 10 P C -0.594 176.668 177.300 -0.063 0.000 1.223 10 P CA -0.179 62.852 63.100 -0.115 0.000 0.784 10 P CB 0.744 32.229 31.700 -0.358 0.000 0.923 11 V N 2.739 122.641 119.914 -0.019 0.000 2.448 11 V HA 0.158 4.278 4.120 -0.000 0.000 0.295 11 V C 0.374 176.502 176.094 0.056 0.000 1.025 11 V CA -0.834 61.495 62.300 0.049 0.000 0.859 11 V CB 1.997 33.877 31.823 0.095 0.000 0.988 11 V HN 0.258 nan 8.190 nan 0.000 0.431 12 V N 4.370 124.338 119.914 0.089 0.000 2.530 12 V HA 0.302 4.421 4.120 -0.000 0.000 0.282 12 V C 0.270 176.433 176.094 0.117 0.000 1.048 12 V CA -0.208 62.178 62.300 0.143 0.000 0.997 12 V CB 1.201 33.123 31.823 0.165 0.000 0.987 12 V HN 0.933 nan 8.190 nan 0.000 0.477 13 E N 4.822 125.126 120.200 0.174 0.000 2.171 13 E HA 0.525 4.875 4.350 -0.000 0.000 0.271 13 E C -1.471 175.161 176.600 0.054 0.000 0.916 13 E CA -0.697 55.797 56.400 0.157 0.000 0.774 13 E CB 1.457 31.363 29.700 0.343 0.000 1.128 13 E HN 0.633 nan 8.360 nan 0.000 0.403 14 L N 4.095 125.289 121.223 -0.049 0.000 2.295 14 L HA 0.360 4.700 4.340 -0.000 0.000 0.281 14 L C -0.140 176.509 176.870 -0.367 0.000 1.018 14 L CA -0.959 53.762 54.840 -0.198 0.000 0.841 14 L CB 1.120 43.061 42.059 -0.197 0.000 1.218 14 L HN 0.475 nan 8.230 nan 0.000 0.424 15 D N 1.928 122.092 120.400 -0.393 0.000 2.345 15 D HA 0.427 5.067 4.640 -0.000 0.000 0.247 15 D C 0.323 176.392 176.300 -0.385 0.000 1.108 15 D CA 0.246 54.011 54.000 -0.391 0.000 0.894 15 D CB 2.100 42.836 40.800 -0.107 0.000 1.203 15 D HN 0.592 nan 8.370 nan 0.000 0.430 16 G N 2.043 110.576 108.800 -0.444 0.000 2.940 16 G HA2 0.307 4.267 3.960 -0.000 0.000 0.164 16 G HA3 0.307 4.267 3.960 -0.000 0.000 0.164 16 G C -0.456 174.314 174.900 -0.216 0.000 1.326 16 G CA -0.392 44.512 45.100 -0.326 0.000 1.020 16 G HN 0.497 nan 8.290 nan 0.000 0.586 17 D N -0.351 119.919 120.400 -0.216 0.000 2.392 17 D HA 0.336 4.976 4.640 -0.000 0.000 0.246 17 D C 0.324 176.444 176.300 -0.300 0.000 1.013 17 D CA -0.230 53.632 54.000 -0.230 0.000 0.993 17 D CB 1.863 42.522 40.800 -0.234 0.000 1.219 17 D HN 0.581 nan 8.370 nan 0.000 0.538 18 E N -0.284 119.605 120.200 -0.517 0.000 3.621 18 E HA -0.325 4.025 4.350 -0.000 0.000 0.387 18 E C 1.475 177.766 176.600 -0.515 0.000 1.599 18 E CA 0.904 56.682 56.400 -1.036 0.000 1.861 18 E CB -0.589 28.506 29.700 -1.010 0.000 1.692 18 E HN 0.372 nan 8.360 nan 0.000 0.421 19 M N 0.588 120.033 119.600 -0.259 0.000 2.089 19 M HA -0.181 4.299 4.480 -0.000 0.000 0.257 19 M C 2.637 178.921 176.300 -0.028 0.000 1.071 19 M CA 2.824 58.108 55.300 -0.027 0.000 1.096 19 M CB -1.913 30.751 32.600 0.107 0.000 1.330 19 M HN 0.759 nan 8.290 nan 0.000 0.403 20 T N -1.861 112.679 114.554 -0.024 0.000 2.759 20 T HA -0.213 4.137 4.350 -0.000 0.000 0.269 20 T C 1.883 176.641 174.700 0.097 0.000 1.042 20 T CA 1.574 63.705 62.100 0.051 0.000 1.140 20 T CB -0.596 68.278 68.868 0.010 0.000 0.864 20 T HN 0.468 nan 8.240 nan 0.000 0.455 21 R N 1.016 121.512 120.500 -0.006 0.000 2.096 21 R HA 0.005 4.345 4.340 -0.000 0.000 0.235 21 R C 2.391 178.784 176.300 0.155 0.000 1.127 21 R CA 1.299 57.432 56.100 0.056 0.000 0.968 21 R CB -0.500 29.781 30.300 -0.033 0.000 0.861 21 R HN 0.489 nan 8.270 nan 0.000 0.440 22 I N 0.678 121.279 120.570 0.052 0.000 2.163 22 I HA -0.286 3.884 4.170 -0.000 0.000 0.240 22 I C 2.310 178.486 176.117 0.099 0.000 1.081 22 I CA 1.318 62.631 61.300 0.021 0.000 1.353 22 I CB -0.204 37.673 38.000 -0.205 0.000 1.054 22 I HN 0.185 nan 8.210 nan 0.000 0.407 23 I N -0.275 120.368 120.570 0.121 0.000 2.286 23 I HA -0.337 3.833 4.170 -0.000 0.000 0.248 23 I C 2.468 178.731 176.117 0.244 0.000 1.115 23 I CA 1.404 62.803 61.300 0.165 0.000 1.392 23 I CB -0.490 37.619 38.000 0.182 0.000 1.065 23 I HN 0.537 nan 8.210 nan 0.000 0.418 24 W N 2.418 123.792 121.300 0.124 0.000 2.338 24 W HA -0.261 4.399 4.660 -0.000 0.000 0.304 24 W C 2.185 178.801 176.519 0.163 0.000 1.212 24 W CA 1.958 59.432 57.345 0.215 0.000 1.264 24 W CB -0.302 29.299 29.460 0.236 0.000 1.142 24 W HN 0.291 nan 8.180 nan 0.000 0.512 25 D N 0.345 120.933 120.400 0.313 0.000 2.117 25 D HA -0.183 4.457 4.640 -0.000 0.000 0.198 25 D C 1.918 178.235 176.300 0.028 0.000 0.982 25 D CA 1.355 55.456 54.000 0.168 0.000 0.828 25 D CB 0.060 40.966 40.800 0.176 0.000 0.967 25 D HN 0.211 nan 8.370 nan 0.000 0.464 26 K N 0.221 120.642 120.400 0.035 0.000 2.057 26 K HA -0.076 4.244 4.320 -0.000 0.000 0.206 26 K C 2.445 178.989 176.600 -0.094 0.000 1.050 26 K CA 0.643 56.925 56.287 -0.008 0.000 0.935 26 K CB 0.043 32.562 32.500 0.031 0.000 0.715 26 K HN 0.238 nan 8.250 nan 0.000 0.439 27 I N 1.537 122.023 120.570 -0.141 0.000 2.163 27 I HA -0.322 3.848 4.170 -0.000 0.000 0.243 27 I C 2.647 178.467 176.117 -0.494 0.000 1.085 27 I CA 1.319 62.441 61.300 -0.297 0.000 1.347 27 I CB -0.252 37.525 38.000 -0.372 0.000 1.044 27 I HN 0.181 nan 8.210 nan 0.000 0.408 28 K N 1.438 121.491 120.400 -0.578 0.000 2.009 28 K HA -0.226 4.094 4.320 -0.000 0.000 0.210 28 K C 2.100 178.496 176.600 -0.341 0.000 1.049 28 K CA 1.741 57.648 56.287 -0.634 0.000 0.929 28 K CB 0.017 32.282 32.500 -0.392 0.000 0.714 28 K HN 0.222 nan 8.250 nan 0.000 0.440 29 K N -0.193 120.087 120.400 -0.200 0.000 2.228 29 K HA -0.026 4.294 4.320 -0.000 0.000 0.202 29 K C 1.960 178.491 176.600 -0.114 0.000 1.051 29 K CA 0.847 57.057 56.287 -0.128 0.000 0.960 29 K CB 0.242 32.698 32.500 -0.073 0.000 0.743 29 K HN 0.033 nan 8.250 nan 0.000 0.458 30 K N 0.140 120.475 120.400 -0.108 0.000 2.313 30 K HA 0.146 4.466 4.320 -0.000 0.000 0.197 30 K C 1.807 178.408 176.600 0.002 0.000 1.061 30 K CA 0.615 56.866 56.287 -0.060 0.000 0.980 30 K CB 0.490 32.960 32.500 -0.050 0.000 0.888 30 K HN 0.121 nan 8.250 nan 0.000 0.502 31 L N -0.285 120.905 121.223 -0.055 0.000 2.575 31 L HA 0.153 4.493 4.340 -0.000 0.000 0.228 31 L C 1.447 178.393 176.870 0.127 0.000 1.075 31 L CA 0.116 54.971 54.840 0.026 0.000 0.867 31 L CB 0.047 42.033 42.059 -0.121 0.000 1.097 31 L HN -0.063 nan 8.230 nan 0.000 0.485 32 I N -0.496 120.022 120.570 -0.085 0.000 3.341 32 I HA -0.005 4.165 4.170 -0.000 0.000 0.243 32 I C 2.100 178.159 176.117 -0.096 0.000 1.094 32 I CA 0.703 61.940 61.300 -0.104 0.000 1.507 32 I CB -0.437 37.287 38.000 -0.461 0.000 1.441 32 I HN -0.078 nan 8.210 nan 0.000 0.465 33 L N 0.967 122.092 121.223 -0.164 0.000 2.051 33 L HA -0.191 4.149 4.340 -0.000 0.000 0.214 33 L C -0.379 176.402 176.870 -0.147 0.000 1.076 33 L CA 1.819 56.579 54.840 -0.134 0.000 0.758 33 L CB -1.973 40.009 42.059 -0.128 0.000 0.890 33 L HN 0.198 nan 8.230 nan 0.000 0.433 34 P HA -0.183 nan 4.420 nan 0.000 0.218 34 P C 0.684 177.671 177.300 -0.521 0.000 1.146 34 P CA 1.588 64.439 63.100 -0.414 0.000 0.813 34 P CB -0.010 31.329 31.700 -0.602 0.000 0.778 35 Y N -2.630 117.619 120.300 -0.085 0.000 2.430 35 Y HA 0.299 4.849 4.550 -0.000 0.000 0.248 35 Y C 0.983 176.813 175.900 -0.116 0.000 1.108 35 Y CA -0.255 57.831 58.100 -0.022 0.000 1.264 35 Y CB 0.248 38.528 38.460 -0.300 0.000 1.172 35 Y HN -0.216 nan 8.280 nan 0.000 0.520 36 L N 0.356 121.512 121.223 -0.112 0.000 2.381 36 L HA 0.385 4.725 4.340 -0.000 0.000 0.268 36 L C -1.088 175.730 176.870 -0.087 0.000 0.997 36 L CA -0.955 53.798 54.840 -0.146 0.000 0.818 36 L CB 1.894 43.819 42.059 -0.224 0.000 1.310 36 L HN -0.171 nan 8.230 nan 0.000 0.416 37 D N 2.625 122.982 120.400 -0.072 0.000 2.500 37 D HA 0.363 5.003 4.640 -0.000 0.000 0.219 37 D C -0.956 175.323 176.300 -0.035 0.000 1.137 37 D CA -0.116 53.851 54.000 -0.054 0.000 0.946 37 D CB 0.699 41.465 40.800 -0.056 0.000 1.022 37 D HN 0.106 nan 8.370 nan 0.000 0.518 38 V N 2.667 122.568 119.914 -0.021 0.000 2.513 38 V HA 0.290 4.410 4.120 -0.000 0.000 0.299 38 V C 0.125 176.227 176.094 0.013 0.000 1.035 38 V CA -1.071 61.234 62.300 0.008 0.000 0.889 38 V CB 1.820 33.671 31.823 0.046 0.000 0.988 38 V HN 0.343 nan 8.190 nan 0.000 0.440 39 D N 4.427 124.830 120.400 0.004 0.000 2.380 39 D HA 0.315 4.955 4.640 -0.000 0.000 0.230 39 D C -0.500 175.800 176.300 -0.001 0.000 1.154 39 D CA -0.055 53.939 54.000 -0.010 0.000 0.859 39 D CB 0.622 41.399 40.800 -0.038 0.000 1.045 39 D HN 0.430 nan 8.370 nan 0.000 0.495 40 L N 4.535 125.785 121.223 0.045 0.000 2.257 40 L HA 0.275 4.615 4.340 -0.000 0.000 0.290 40 L C 0.679 177.601 176.870 0.087 0.000 1.044 40 L CA -0.765 54.137 54.840 0.104 0.000 0.810 40 L CB 0.882 43.065 42.059 0.206 0.000 1.193 40 L HN 0.035 nan 8.230 nan 0.000 0.425 41 K N 4.254 124.686 120.400 0.053 0.000 2.220 41 K HA 0.131 4.451 4.320 -0.000 0.000 0.283 41 K C -0.690 176.003 176.600 0.155 0.000 1.098 41 K CA -0.275 56.045 56.287 0.054 0.000 0.928 41 K CB 0.309 32.837 32.500 0.046 0.000 1.214 41 K HN 0.310 nan 8.250 nan 0.000 0.442 42 Y N 2.803 123.058 120.300 -0.074 0.000 2.359 42 Y HA 0.103 4.653 4.550 -0.000 0.000 0.334 42 Y C -0.933 174.792 175.900 -0.291 0.000 1.058 42 Y CA -0.152 57.918 58.100 -0.050 0.000 1.244 42 Y CB 0.487 38.935 38.460 -0.019 0.000 1.187 42 Y HN 0.388 nan 8.280 nan 0.000 0.510 43 Y N 4.558 124.565 120.300 -0.487 0.000 2.327 43 Y HA 0.179 4.729 4.550 -0.000 0.000 0.325 43 Y C -0.563 174.965 175.900 -0.621 0.000 0.999 43 Y CA -1.359 56.518 58.100 -0.373 0.000 1.195 43 Y CB 1.092 39.437 38.460 -0.192 0.000 1.132 43 Y HN 0.541 nan 8.280 nan 0.000 0.455 44 D N 3.870 124.048 120.400 -0.370 0.000 2.352 44 D HA 0.155 4.795 4.640 -0.000 0.000 0.245 44 D C -0.399 175.812 176.300 -0.147 0.000 1.224 44 D CA 0.099 53.946 54.000 -0.255 0.000 0.879 44 D CB 0.987 41.805 40.800 0.030 0.000 1.057 44 D HN 0.459 nan 8.370 nan 0.000 0.491 45 L N 3.405 124.518 121.223 -0.184 0.000 2.978 45 L HA 0.120 4.460 4.340 -0.000 0.000 0.239 45 L C 0.901 177.675 176.870 -0.160 0.000 1.293 45 L CA -0.215 54.525 54.840 -0.167 0.000 1.085 45 L CB -0.516 41.431 42.059 -0.185 0.000 1.432 45 L HN 0.264 nan 8.230 nan 0.000 0.512 46 S N -2.370 113.256 115.700 -0.123 0.000 2.600 46 S HA 0.227 4.697 4.470 -0.000 0.000 0.265 46 S C 1.603 176.134 174.600 -0.115 0.000 1.325 46 S CA -0.570 57.566 58.200 -0.107 0.000 1.002 46 S CB 1.292 64.464 63.200 -0.046 0.000 0.921 46 S HN -0.006 nan 8.310 nan 0.000 0.554 47 V N 1.509 121.353 119.914 -0.117 0.000 2.255 47 V HA -0.203 3.917 4.120 -0.000 0.000 0.247 47 V C 2.806 178.857 176.094 -0.072 0.000 1.051 47 V CA 2.485 64.718 62.300 -0.112 0.000 1.018 47 V CB -1.307 30.415 31.823 -0.168 0.000 0.641 47 V HN 1.068 nan 8.190 nan 0.000 0.445 48 E N -0.139 120.059 120.200 -0.003 0.000 2.085 48 E HA -0.263 4.087 4.350 -0.000 0.000 0.194 48 E C 2.415 178.987 176.600 -0.046 0.000 0.994 48 E CA 1.647 58.062 56.400 0.025 0.000 0.801 48 E CB -0.268 29.485 29.700 0.089 0.000 0.743 48 E HN 0.525 nan 8.360 nan 0.000 0.453 49 S N -0.025 115.642 115.700 -0.055 0.000 2.351 49 S HA -0.206 4.264 4.470 -0.000 0.000 0.220 49 S C 2.038 176.540 174.600 -0.163 0.000 1.035 49 S CA 1.521 59.675 58.200 -0.076 0.000 1.031 49 S CB -0.237 62.931 63.200 -0.054 0.000 0.928 49 S HN 0.274 nan 8.310 nan 0.000 0.433 50 R N 0.356 120.719 120.500 -0.228 0.000 2.096 50 R HA -0.151 4.189 4.340 -0.000 0.000 0.240 50 R C 2.208 178.137 176.300 -0.618 0.000 1.139 50 R CA 1.943 57.803 56.100 -0.401 0.000 0.952 50 R CB -0.652 29.398 30.300 -0.416 0.000 0.854 50 R HN 0.552 nan 8.270 nan 0.000 0.436 51 D N -0.052 120.064 120.400 -0.474 0.000 2.104 51 D HA -0.145 4.495 4.640 -0.000 0.000 0.194 51 D C 1.730 177.869 176.300 -0.269 0.000 0.994 51 D CA 1.698 55.487 54.000 -0.352 0.000 0.830 51 D CB -0.065 40.712 40.800 -0.040 0.000 0.959 51 D HN 0.267 nan 8.370 nan 0.000 0.452 52 A N -0.690 122.016 122.820 -0.190 0.000 2.019 52 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 52 A C 2.148 179.674 177.584 -0.095 0.000 1.164 52 A CA 2.235 54.205 52.037 -0.112 0.000 0.644 52 A CB -0.841 18.125 19.000 -0.057 0.000 0.805 52 A HN 0.452 nan 8.150 nan 0.000 0.449 53 T N -4.588 109.868 114.554 -0.164 0.000 3.105 53 T HA 0.306 4.656 4.350 -0.000 0.000 0.253 53 T C 0.504 175.089 174.700 -0.193 0.000 1.047 53 T CA 0.698 62.718 62.100 -0.134 0.000 0.944 53 T CB -0.273 68.524 68.868 -0.119 0.000 1.016 53 T HN 0.550 nan 8.240 nan 0.000 0.544 54 S N 1.671 117.183 115.700 -0.313 0.000 3.641 54 S HA -0.191 4.279 4.470 -0.000 0.000 0.346 54 S C 0.571 174.786 174.600 -0.641 0.000 1.074 54 S CA 0.915 58.882 58.200 -0.389 0.000 1.026 54 S CB -2.117 61.130 63.200 0.078 0.000 0.908 54 S HN 0.901 nan 8.310 nan 0.000 0.479 55 D N -0.939 118.947 120.400 -0.857 0.000 2.978 55 D HA -0.218 4.422 4.640 -0.000 0.000 0.205 55 D C 0.836 176.988 176.300 -0.247 0.000 1.093 55 D CA 1.982 55.645 54.000 -0.562 0.000 1.006 55 D CB -0.634 39.896 40.800 -0.450 0.000 1.116 55 D HN 0.585 nan 8.370 nan 0.000 0.419 56 K N 0.418 120.708 120.400 -0.183 0.000 2.209 56 K HA 0.006 4.326 4.320 -0.000 0.000 0.204 56 K C 1.846 178.406 176.600 -0.066 0.000 1.048 56 K CA 1.325 57.562 56.287 -0.083 0.000 0.940 56 K CB -0.424 32.049 32.500 -0.045 0.000 0.729 56 K HN 0.463 nan 8.250 nan 0.000 0.451 57 I N 0.498 121.016 120.570 -0.086 0.000 2.394 57 I HA -0.195 3.975 4.170 -0.000 0.000 0.251 57 I C 1.431 177.513 176.117 -0.059 0.000 1.136 57 I CA 1.562 62.846 61.300 -0.026 0.000 1.425 57 I CB -0.429 37.547 38.000 -0.039 0.000 1.079 57 I HN 0.195 nan 8.210 nan 0.000 0.425 58 T N -0.123 114.362 114.554 -0.115 0.000 2.777 58 T HA -0.218 4.132 4.350 -0.000 0.000 0.266 58 T C 1.786 176.410 174.700 -0.126 0.000 1.040 58 T CA 1.662 63.686 62.100 -0.127 0.000 1.141 58 T CB -0.215 68.579 68.868 -0.122 0.000 0.868 58 T HN 0.496 nan 8.240 nan 0.000 0.444 59 Q N 0.575 120.317 119.800 -0.096 0.000 2.079 59 Q HA -0.165 4.175 4.340 -0.000 0.000 0.200 59 Q C 1.704 177.637 176.000 -0.111 0.000 0.974 59 Q CA 1.478 57.232 55.803 -0.082 0.000 0.840 59 Q CB -0.030 28.681 28.738 -0.046 0.000 0.898 59 Q HN 0.391 nan 8.270 nan 0.000 0.430 60 D N 0.303 120.642 120.400 -0.102 0.000 2.117 60 D HA -0.153 4.487 4.640 -0.000 0.000 0.197 60 D C 1.750 177.799 176.300 -0.418 0.000 0.987 60 D CA 1.359 55.289 54.000 -0.117 0.000 0.829 60 D CB -0.299 40.544 40.800 0.071 0.000 0.961 60 D HN 0.406 nan 8.370 nan 0.000 0.460 61 A N 1.298 123.771 122.820 -0.579 0.000 1.883 61 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 61 A C 2.361 179.663 177.584 -0.470 0.000 1.186 61 A CA 2.512 54.017 52.037 -0.887 0.000 0.624 61 A CB -0.812 17.895 19.000 -0.489 0.000 0.822 61 A HN 0.248 nan 8.150 nan 0.000 0.444 62 A N -0.290 122.366 122.820 -0.274 0.000 1.883 62 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 62 A C 1.924 179.420 177.584 -0.147 0.000 1.186 62 A CA 1.802 53.738 52.037 -0.169 0.000 0.624 62 A CB -0.598 18.332 19.000 -0.116 0.000 0.822 62 A HN 0.646 nan 8.150 nan 0.000 0.444 63 E N -0.430 119.679 120.200 -0.151 0.000 2.150 63 E HA -0.053 4.297 4.350 -0.000 0.000 0.193 63 E C 2.248 178.775 176.600 -0.121 0.000 0.985 63 E CA 0.787 57.118 56.400 -0.114 0.000 0.814 63 E CB -0.252 29.396 29.700 -0.087 0.000 0.752 63 E HN 0.636 nan 8.360 nan 0.000 0.466 64 A N 1.080 123.801 122.820 -0.165 0.000 1.898 64 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 64 A C 2.141 179.754 177.584 0.048 0.000 1.181 64 A CA 0.955 52.968 52.037 -0.039 0.000 0.620 64 A CB -0.492 18.431 19.000 -0.128 0.000 0.819 64 A HN 0.139 nan 8.150 nan 0.000 0.442 65 I N -0.670 119.883 120.570 -0.028 0.000 2.226 65 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 65 I C 2.517 178.642 176.117 0.013 0.000 1.100 65 I CA 1.830 63.147 61.300 0.028 0.000 1.374 65 I CB -0.179 37.810 38.000 -0.019 0.000 1.057 65 I HN 0.254 nan 8.210 nan 0.000 0.413 66 K N 1.649 122.021 120.400 -0.045 0.000 2.097 66 K HA -0.215 4.105 4.320 -0.000 0.000 0.206 66 K C 2.040 178.586 176.600 -0.089 0.000 1.049 66 K CA 1.605 57.856 56.287 -0.061 0.000 0.933 66 K CB -0.196 32.261 32.500 -0.073 0.000 0.717 66 K HN 0.141 nan 8.250 nan 0.000 0.442 67 K N -1.057 119.246 120.400 -0.160 0.000 2.001 67 K HA -0.139 4.181 4.320 -0.000 0.000 0.208 67 K C 1.702 178.085 176.600 -0.362 0.000 1.048 67 K CA 1.613 57.703 56.287 -0.327 0.000 0.932 67 K CB -0.203 31.969 32.500 -0.547 0.000 0.715 67 K HN 0.239 nan 8.250 nan 0.000 0.437 68 Y N -1.164 119.159 120.300 0.039 0.000 2.490 68 Y HA 0.145 4.695 4.550 -0.000 0.000 0.285 68 Y C 1.734 177.675 175.900 0.069 0.000 1.117 68 Y CA 0.416 58.550 58.100 0.057 0.000 1.262 68 Y CB 0.899 39.403 38.460 0.073 0.000 1.043 68 Y HN 0.470 nan 8.280 nan 0.000 0.553 69 G N -0.301 108.603 108.800 0.174 0.000 2.345 69 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 69 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 69 G C -0.252 174.788 174.900 0.234 0.000 1.058 69 G CA 0.003 45.207 45.100 0.173 0.000 0.632 69 G HN 0.066 nan 8.290 nan 0.000 0.508 70 V N 1.436 121.485 119.914 0.225 0.000 2.531 70 V HA 0.784 4.904 4.120 -0.000 0.000 0.301 70 V C 0.543 176.720 176.094 0.139 0.000 1.034 70 V CA -0.010 62.414 62.300 0.207 0.000 0.865 70 V CB 1.452 33.373 31.823 0.163 0.000 0.995 70 V HN 1.099 nan 8.190 nan 0.000 0.424 71 G N 4.183 113.048 108.800 0.108 0.000 2.482 71 G HA2 0.818 4.778 3.960 -0.000 0.000 0.317 71 G HA3 0.818 4.778 3.960 -0.000 0.000 0.317 71 G C -1.184 173.720 174.900 0.006 0.000 1.241 71 G CA -0.592 44.537 45.100 0.048 0.000 0.967 71 G HN 0.602 nan 8.290 nan 0.000 0.482 72 I N 1.197 121.736 120.570 -0.051 0.000 2.439 72 I HA 0.372 4.542 4.170 -0.000 0.000 0.285 72 I C -0.195 175.893 176.117 -0.047 0.000 1.021 72 I CA -0.672 60.560 61.300 -0.114 0.000 1.091 72 I CB 2.218 39.968 38.000 -0.418 0.000 1.242 72 I HN 0.313 nan 8.210 nan 0.000 0.439 73 K N 5.534 125.890 120.400 -0.073 0.000 2.207 73 K HA 0.552 4.872 4.320 -0.000 0.000 0.255 73 K C -1.082 175.146 176.600 -0.620 0.000 0.941 73 K CA -0.466 55.648 56.287 -0.287 0.000 0.825 73 K CB 2.212 34.589 32.500 -0.205 0.000 1.119 73 K HN 0.713 nan 8.250 nan 0.000 0.430 74 C N 3.168 121.793 119.300 -1.125 0.000 2.405 74 C HA 0.668 5.128 4.460 -0.000 0.000 0.365 74 C C 0.448 175.124 174.990 -0.523 0.000 1.233 74 C CA -0.531 57.743 59.018 -1.239 0.000 2.230 74 C CB -0.022 26.692 27.740 -1.710 0.000 2.443 74 C HN 0.904 nan 8.230 nan 0.000 0.556 75 A N 4.461 127.102 122.820 -0.298 0.000 2.546 75 A HA 0.493 4.813 4.320 -0.000 0.000 0.243 75 A C 0.666 178.125 177.584 -0.209 0.000 1.063 75 A CA 0.793 52.721 52.037 -0.183 0.000 0.757 75 A CB -0.118 18.823 19.000 -0.098 0.000 0.991 75 A HN 1.177 nan 8.150 nan 0.000 0.503 76 T N -0.020 114.428 114.554 -0.177 0.000 2.927 76 T HA 0.747 5.097 4.350 -0.000 0.000 0.286 76 T C -0.174 174.443 174.700 -0.138 0.000 1.040 76 T CA -0.697 61.300 62.100 -0.171 0.000 1.010 76 T CB 1.016 69.785 68.868 -0.165 0.000 1.177 76 T HN 0.415 nan 8.240 nan 0.000 0.546 77 I N 1.217 121.703 120.570 -0.139 0.000 2.404 77 I HA 0.330 4.500 4.170 -0.000 0.000 0.293 77 I C -0.104 175.961 176.117 -0.086 0.000 0.992 77 I CA -0.806 60.420 61.300 -0.122 0.000 1.149 77 I CB 2.063 39.963 38.000 -0.166 0.000 1.315 77 I HN 0.675 nan 8.210 nan 0.000 0.446 78 T N 7.254 121.775 114.554 -0.056 0.000 2.744 78 T HA 0.281 4.631 4.350 -0.000 0.000 0.291 78 T C -2.261 172.433 174.700 -0.010 0.000 0.957 78 T CA -1.121 60.970 62.100 -0.015 0.000 1.002 78 T CB 0.708 69.574 68.868 -0.004 0.000 0.919 78 T HN 0.397 nan 8.240 nan 0.000 0.468 79 P HA 0.156 nan 4.420 nan 0.000 0.267 79 P C -0.971 176.330 177.300 0.002 0.000 1.205 79 P CA -0.190 62.922 63.100 0.021 0.000 0.765 79 P CB 0.693 32.453 31.700 0.101 0.000 0.828 80 D N 2.153 122.547 120.400 -0.011 0.000 2.490 80 D HA 0.057 4.697 4.640 -0.000 0.000 0.232 80 D C 1.154 177.449 176.300 -0.008 0.000 1.053 80 D CA -0.688 53.305 54.000 -0.012 0.000 0.914 80 D CB 1.237 42.031 40.800 -0.011 0.000 1.431 80 D HN 0.331 nan 8.370 nan 0.000 0.483 81 E N 0.734 120.927 120.200 -0.012 0.000 2.208 81 E HA -0.326 4.024 4.350 -0.000 0.000 0.202 81 E C 1.588 178.197 176.600 0.015 0.000 1.014 81 E CA 1.748 58.144 56.400 -0.005 0.000 0.819 81 E CB -0.724 28.970 29.700 -0.009 0.000 0.735 81 E HN 0.535 nan 8.360 nan 0.000 0.469 82 A N 1.673 124.505 122.820 0.019 0.000 1.858 82 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 82 A C 2.356 179.980 177.584 0.068 0.000 1.190 82 A CA 1.634 53.694 52.037 0.038 0.000 0.617 82 A CB -0.421 18.597 19.000 0.031 0.000 0.827 82 A HN 0.169 nan 8.150 nan 0.000 0.443 83 R N -0.779 119.751 120.500 0.050 0.000 2.100 83 R HA 0.010 4.350 4.340 -0.000 0.000 0.220 83 R C 1.853 178.222 176.300 0.115 0.000 1.091 83 R CA 1.071 57.215 56.100 0.074 0.000 0.986 83 R CB -0.361 29.901 30.300 -0.064 0.000 0.888 83 R HN 0.374 nan 8.270 nan 0.000 0.444 84 V N 1.549 121.501 119.914 0.064 0.000 2.944 84 V HA -0.245 3.875 4.120 -0.000 0.000 0.265 84 V C 1.558 177.708 176.094 0.094 0.000 1.125 84 V CA 1.769 64.107 62.300 0.063 0.000 1.145 84 V CB -0.417 31.402 31.823 -0.006 0.000 0.725 84 V HN 0.339 nan 8.190 nan 0.000 0.510 85 K N -1.538 118.924 120.400 0.104 0.000 2.436 85 K HA 0.117 4.436 4.320 -0.000 0.000 0.198 85 K C 1.987 178.667 176.600 0.132 0.000 1.174 85 K CA -0.194 56.152 56.287 0.099 0.000 0.951 85 K CB 0.186 32.723 32.500 0.062 0.000 1.040 85 K HN 0.112 nan 8.250 nan 0.000 0.536 86 E N 0.337 120.653 120.200 0.193 0.000 2.152 86 E HA -0.036 4.314 4.350 -0.000 0.000 0.192 86 E C 0.536 177.301 176.600 0.276 0.000 0.983 86 E CA 1.169 57.713 56.400 0.241 0.000 0.818 86 E CB 0.213 30.117 29.700 0.340 0.000 0.758 86 E HN 0.157 nan 8.360 nan 0.000 0.467 87 F N 0.568 120.556 119.950 0.064 0.000 2.661 87 F HA 0.247 4.774 4.527 -0.000 0.000 0.306 87 F C 0.762 176.613 175.800 0.085 0.000 1.094 87 F CA -0.354 57.690 58.000 0.073 0.000 1.254 87 F CB -0.046 39.000 39.000 0.076 0.000 1.040 87 F HN -0.095 nan 8.300 nan 0.000 0.562 88 N N 1.660 120.497 118.700 0.230 0.000 2.738 88 N HA -0.201 4.539 4.740 -0.000 0.000 0.249 88 N C -0.617 175.046 175.510 0.256 0.000 1.047 88 N CA 0.133 53.298 53.050 0.192 0.000 0.707 88 N CB -0.996 37.582 38.487 0.151 0.000 0.937 88 N HN 0.073 nan 8.380 nan 0.000 0.545 89 L N 0.905 122.274 121.223 0.243 0.000 2.472 89 L HA 0.103 4.443 4.340 -0.000 0.000 0.260 89 L C 1.989 179.047 176.870 0.313 0.000 1.209 89 L CA 0.463 55.461 54.840 0.263 0.000 0.817 89 L CB 0.070 42.261 42.059 0.220 0.000 1.106 89 L HN 0.247 nan 8.230 nan 0.000 0.479 90 H N 0.122 119.283 119.070 0.152 0.000 2.526 90 H HA 0.262 4.818 4.556 -0.000 0.000 0.274 90 H C 0.162 175.315 175.328 -0.292 0.000 0.999 90 H CA -0.073 55.989 56.048 0.023 0.000 1.157 90 H CB 0.511 30.388 29.762 0.191 0.000 1.407 90 H HN 0.394 nan 8.280 nan 0.000 0.568 91 K N 0.461 120.585 120.400 -0.459 0.000 3.040 91 K HA 0.028 4.348 4.320 -0.000 0.000 0.300 91 K C -1.565 174.565 176.600 -0.783 0.000 1.092 91 K CA -0.780 55.059 56.287 -0.748 0.000 0.831 91 K CB 0.940 32.738 32.500 -1.170 0.000 1.469 91 K HN -0.001 nan 8.250 nan 0.000 0.365 92 M N 3.101 122.403 119.600 -0.496 0.000 3.436 92 M HA 0.290 4.770 4.480 -0.000 0.000 0.240 92 M C -1.447 174.726 176.300 -0.212 0.000 1.469 92 M CA -0.102 55.037 55.300 -0.269 0.000 1.622 92 M CB -0.463 32.046 32.600 -0.151 0.000 1.098 92 M HN 0.328 nan 8.290 nan 0.000 0.568 93 W N 3.928 125.226 121.300 -0.003 0.000 2.343 93 W HA 0.005 4.665 4.660 -0.000 0.000 0.337 93 W C 0.789 177.298 176.519 -0.018 0.000 1.320 93 W CA -0.627 56.711 57.345 -0.011 0.000 1.290 93 W CB 0.240 29.686 29.460 -0.024 0.000 1.206 93 W HN 0.236 nan 8.180 nan 0.000 0.565 94 K N 2.461 123.018 120.400 0.261 0.000 2.295 94 K HA 0.046 4.366 4.320 -0.000 0.000 0.270 94 K C 0.351 177.012 176.600 0.102 0.000 1.011 94 K CA -0.324 56.044 56.287 0.136 0.000 0.953 94 K CB 1.063 33.631 32.500 0.114 0.000 0.956 94 K HN 0.454 nan 8.250 nan 0.000 0.477 95 S N 3.409 119.145 115.700 0.061 0.000 2.575 95 S HA -0.005 4.465 4.470 -0.000 0.000 0.295 95 S C -1.096 173.506 174.600 0.004 0.000 1.267 95 S CA -0.951 57.266 58.200 0.027 0.000 1.074 95 S CB 0.342 63.558 63.200 0.027 0.000 0.829 95 S HN 0.353 nan 8.310 nan 0.000 0.497 96 P HA -0.084 nan 4.420 nan 0.000 0.219 96 P C 0.839 178.101 177.300 -0.064 0.000 1.150 96 P CA 0.965 64.030 63.100 -0.057 0.000 0.814 96 P CB -0.005 31.640 31.700 -0.092 0.000 0.787 97 N N 0.375 119.037 118.700 -0.064 0.000 2.188 97 N HA -0.090 4.650 4.740 -0.000 0.000 0.184 97 N C 2.187 177.654 175.510 -0.071 0.000 1.018 97 N CA 1.660 54.665 53.050 -0.074 0.000 0.858 97 N CB -1.016 37.425 38.487 -0.076 0.000 0.989 97 N HN 0.226 nan 8.380 nan 0.000 0.426 98 G N 0.581 109.353 108.800 -0.046 0.000 2.402 98 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.216 98 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.216 98 G C 1.606 176.490 174.900 -0.025 0.000 1.162 98 G CA 1.210 46.289 45.100 -0.035 0.000 0.777 98 G HN 0.250 nan 8.290 nan 0.000 0.539 99 T N 1.413 115.958 114.554 -0.016 0.000 2.737 99 T HA -0.032 4.318 4.350 -0.000 0.000 0.265 99 T C 2.394 177.078 174.700 -0.028 0.000 1.038 99 T CA 0.957 63.051 62.100 -0.010 0.000 1.144 99 T CB -0.146 68.716 68.868 -0.011 0.000 0.866 99 T HN 0.235 nan 8.240 nan 0.000 0.434 100 I N 0.705 121.244 120.570 -0.050 0.000 2.179 100 I HA -0.181 3.989 4.170 -0.000 0.000 0.242 100 I C 2.803 178.889 176.117 -0.052 0.000 1.088 100 I CA 1.363 62.627 61.300 -0.061 0.000 1.357 100 I CB -0.330 37.623 38.000 -0.078 0.000 1.051 100 I HN 0.125 nan 8.210 nan 0.000 0.409 101 R N 0.519 120.984 120.500 -0.060 0.000 2.081 101 R HA -0.172 4.168 4.340 -0.000 0.000 0.235 101 R C 2.213 178.500 176.300 -0.023 0.000 1.131 101 R CA 1.592 57.654 56.100 -0.064 0.000 0.960 101 R CB -0.537 29.695 30.300 -0.113 0.000 0.856 101 R HN 0.465 nan 8.270 nan 0.000 0.436 102 N N 0.830 119.527 118.700 -0.004 0.000 2.188 102 N HA -0.139 4.601 4.740 -0.000 0.000 0.184 102 N C 1.714 177.268 175.510 0.073 0.000 1.018 102 N CA 1.057 54.148 53.050 0.068 0.000 0.858 102 N CB 0.114 38.635 38.487 0.056 0.000 0.989 102 N HN 0.184 nan 8.380 nan 0.000 0.426 103 I N 0.780 121.363 120.570 0.021 0.000 2.233 103 I HA -0.212 3.958 4.170 -0.000 0.000 0.243 103 I C 2.062 178.172 176.117 -0.012 0.000 1.093 103 I CA 0.763 62.066 61.300 0.004 0.000 1.380 103 I CB -0.076 37.912 38.000 -0.020 0.000 1.067 103 I HN 0.131 nan 8.210 nan 0.000 0.413 104 L N 0.075 121.282 121.223 -0.025 0.000 2.209 104 L HA 0.184 4.524 4.340 -0.000 0.000 0.207 104 L C 1.317 178.167 176.870 -0.034 0.000 1.094 104 L CA 0.512 55.329 54.840 -0.039 0.000 0.790 104 L CB -0.895 41.134 42.059 -0.050 0.000 0.932 104 L HN 0.460 nan 8.230 nan 0.000 0.447 105 G N -0.655 108.135 108.800 -0.016 0.000 2.750 105 G HA2 0.141 4.101 3.960 -0.000 0.000 0.228 105 G HA3 0.141 4.101 3.960 -0.000 0.000 0.228 105 G C 0.227 175.121 174.900 -0.010 0.000 1.367 105 G CA -0.306 44.791 45.100 -0.006 0.000 0.871 105 G HN 0.853 nan 8.290 nan 0.000 0.560 106 G N -2.832 105.986 108.800 0.030 0.000 2.418 106 G HA2 0.519 4.479 3.960 -0.000 0.000 0.206 106 G HA3 0.519 4.479 3.960 -0.000 0.000 0.206 106 G C -0.168 174.753 174.900 0.035 0.000 1.202 106 G CA 0.554 45.674 45.100 0.033 0.000 1.061 106 G HN 2.411 nan 8.290 nan 0.000 0.563 107 T N -0.272 114.244 114.554 -0.063 0.000 2.912 107 T HA 0.605 4.955 4.350 -0.000 0.000 0.299 107 T C -0.590 173.901 174.700 -0.348 0.000 1.052 107 T CA -0.276 61.688 62.100 -0.226 0.000 0.996 107 T CB 2.264 70.952 68.868 -0.300 0.000 1.070 107 T HN 1.094 nan 8.240 nan 0.000 0.465 108 V N 3.313 123.013 119.914 -0.356 0.000 2.347 108 V HA 0.457 4.577 4.120 -0.000 0.000 0.280 108 V C -0.919 175.005 176.094 -0.283 0.000 1.021 108 V CA -0.701 61.455 62.300 -0.240 0.000 0.847 108 V CB 0.243 31.974 31.823 -0.154 0.000 0.990 108 V HN 0.741 nan 8.190 nan 0.000 0.444 109 F N 5.263 125.250 119.950 0.063 0.000 2.405 109 F HA 0.591 5.118 4.527 -0.000 0.000 0.355 109 F C 0.790 176.604 175.800 0.024 0.000 1.121 109 F CA -0.568 57.466 58.000 0.057 0.000 1.112 109 F CB 0.997 40.042 39.000 0.074 0.000 1.126 109 F HN 0.288 nan 8.300 nan 0.000 0.481 110 R N 2.930 123.540 120.500 0.184 0.000 2.445 110 R HA 0.498 4.838 4.340 -0.000 0.000 0.308 110 R C -0.805 175.505 176.300 0.017 0.000 0.961 110 R CA -0.683 55.459 56.100 0.071 0.000 0.862 110 R CB 2.306 32.620 30.300 0.023 0.000 1.144 110 R HN 0.731 nan 8.270 nan 0.000 0.447 111 E N 3.718 123.893 120.200 -0.041 0.000 2.343 111 E HA 0.410 4.760 4.350 -0.000 0.000 0.278 111 E C -2.650 173.825 176.600 -0.209 0.000 0.910 111 E CA -2.146 54.165 56.400 -0.148 0.000 0.757 111 E CB 3.186 32.819 29.700 -0.112 0.000 1.218 111 E HN 0.188 nan 8.360 nan 0.000 0.435 112 P HA 0.207 nan 4.420 nan 0.000 0.278 112 P C -0.362 176.761 177.300 -0.295 0.000 1.238 112 P CA -0.126 62.752 63.100 -0.370 0.000 0.794 112 P CB 0.900 32.179 31.700 -0.701 0.000 0.955 113 I N 2.637 123.046 120.570 -0.267 0.000 2.291 113 I HA 0.123 4.293 4.170 -0.000 0.000 0.290 113 I C 0.206 176.205 176.117 -0.198 0.000 1.050 113 I CA -0.821 60.281 61.300 -0.330 0.000 1.245 113 I CB 1.067 38.702 38.000 -0.608 0.000 1.405 113 I HN 0.004 nan 8.210 nan 0.000 0.478 114 V N 8.247 128.092 119.914 -0.115 0.000 2.408 114 V HA 0.281 4.401 4.120 -0.000 0.000 0.267 114 V C 0.302 176.398 176.094 0.003 0.000 1.047 114 V CA -0.129 62.163 62.300 -0.013 0.000 0.937 114 V CB 0.863 32.707 31.823 0.035 0.000 0.999 114 V HN 0.473 nan 8.190 nan 0.000 0.472 115 I N 7.497 128.076 120.570 0.013 0.000 2.390 115 I HA 0.282 4.452 4.170 -0.000 0.000 0.283 115 I C -1.537 174.601 176.117 0.034 0.000 1.016 115 I CA -1.828 59.484 61.300 0.019 0.000 1.151 115 I CB 1.978 39.980 38.000 0.002 0.000 1.293 115 I HN 0.412 nan 8.210 nan 0.000 0.458 116 P HA -0.253 nan 4.420 nan 0.000 0.217 116 P C 1.685 179.003 177.300 0.029 0.000 1.158 116 P CA 1.441 64.564 63.100 0.038 0.000 0.887 116 P CB 0.033 31.753 31.700 0.033 0.000 0.792 117 R N -0.387 120.128 120.500 0.025 0.000 2.103 117 R HA -0.123 4.217 4.340 -0.000 0.000 0.242 117 R C 0.640 176.948 176.300 0.014 0.000 1.142 117 R CA 1.084 57.196 56.100 0.019 0.000 0.960 117 R CB -0.642 29.671 30.300 0.022 0.000 0.858 117 R HN 0.073 nan 8.270 nan 0.000 0.439 118 I N 3.157 123.736 120.570 0.014 0.000 2.618 118 I HA 0.074 4.244 4.170 -0.000 0.000 0.284 118 I C -2.054 174.069 176.117 0.010 0.000 1.146 118 I CA -2.332 58.973 61.300 0.008 0.000 1.425 118 I CB 0.388 38.390 38.000 0.004 0.000 1.383 118 I HN 0.081 nan 8.210 nan 0.000 0.562 119 P HA 0.261 nan 4.420 nan 0.000 0.281 119 P C -0.803 176.484 177.300 -0.021 0.000 1.252 119 P CA -0.524 62.568 63.100 -0.014 0.000 0.778 119 P CB 0.465 32.153 31.700 -0.020 0.000 0.895 120 R N 3.271 123.745 120.500 -0.042 0.000 2.297 120 R HA 0.346 4.686 4.340 -0.000 0.000 0.308 120 R C 0.623 176.842 176.300 -0.134 0.000 1.029 120 R CA -0.702 55.351 56.100 -0.077 0.000 0.929 120 R CB 0.515 30.742 30.300 -0.121 0.000 1.046 120 R HN 0.387 nan 8.270 nan 0.000 0.461 121 L N 1.673 122.809 121.223 -0.145 0.000 2.362 121 L HA 0.002 4.342 4.340 -0.000 0.000 0.219 121 L C 0.395 177.084 176.870 -0.302 0.000 1.134 121 L CA 0.650 55.383 54.840 -0.177 0.000 0.807 121 L CB 0.100 42.078 42.059 -0.135 0.000 0.927 121 L HN 0.419 nan 8.230 nan 0.000 0.447 122 V N 0.198 119.831 119.914 -0.467 0.000 2.266 122 V HA 0.177 4.297 4.120 -0.000 0.000 0.266 122 V C -1.442 174.318 176.094 -0.556 0.000 1.036 122 V CA -0.954 60.911 62.300 -0.725 0.000 0.828 122 V CB 0.960 31.823 31.823 -1.600 0.000 1.081 122 V HN -0.020 nan 8.190 nan 0.000 0.449 123 P HA -0.245 nan 4.420 nan 0.000 0.222 123 P C 1.667 178.876 177.300 -0.151 0.000 1.157 123 P CA 1.764 64.747 63.100 -0.194 0.000 0.905 123 P CB 0.133 31.746 31.700 -0.145 0.000 0.792 124 R N -2.549 117.850 120.500 -0.169 0.000 2.193 124 R HA -0.103 4.237 4.340 -0.000 0.000 0.229 124 R C 0.296 176.648 176.300 0.086 0.000 1.110 124 R CA 0.412 56.486 56.100 -0.042 0.000 0.988 124 R CB -0.353 29.935 30.300 -0.020 0.000 0.871 124 R HN 0.257 nan 8.270 nan 0.000 0.458 125 W N 2.317 123.482 121.300 -0.225 0.000 2.688 125 W HA 0.040 4.700 4.660 -0.000 0.000 0.402 125 W C 0.449 176.822 176.519 -0.243 0.000 1.188 125 W CA -0.256 56.883 57.345 -0.342 0.000 1.561 125 W CB -0.436 28.513 29.460 -0.852 0.000 1.653 125 W HN 0.201 nan 8.180 nan 0.000 0.442 126 E N 1.097 121.378 120.200 0.135 0.000 2.340 126 E HA 0.026 4.376 4.350 -0.000 0.000 0.198 126 E C 0.218 176.915 176.600 0.161 0.000 0.961 126 E CA 0.493 56.966 56.400 0.123 0.000 0.905 126 E CB 0.415 30.168 29.700 0.088 0.000 0.884 126 E HN 0.155 nan 8.360 nan 0.000 0.491 127 K N 1.586 122.079 120.400 0.155 0.000 2.207 127 K HA 0.336 4.656 4.320 -0.000 0.000 0.255 127 K C -2.733 173.939 176.600 0.120 0.000 0.941 127 K CA -2.450 53.901 56.287 0.106 0.000 0.825 127 K CB 1.596 34.126 32.500 0.049 0.000 1.119 127 K HN -0.219 nan 8.250 nan 0.000 0.430 128 P HA -0.011 nan 4.420 nan 0.000 0.265 128 P C -0.741 176.348 177.300 -0.352 0.000 1.187 128 P CA 0.382 63.329 63.100 -0.255 0.000 0.766 128 P CB 0.421 31.970 31.700 -0.251 0.000 0.820 129 I N 4.237 124.488 120.570 -0.532 0.000 2.362 129 I HA 0.342 4.512 4.170 -0.000 0.000 0.289 129 I C 0.136 176.019 176.117 -0.391 0.000 0.994 129 I CA -0.579 60.374 61.300 -0.579 0.000 1.158 129 I CB 0.990 38.594 38.000 -0.659 0.000 1.315 129 I HN 0.127 nan 8.210 nan 0.000 0.451 130 I N 6.798 127.226 120.570 -0.237 0.000 2.354 130 I HA 0.345 4.515 4.170 -0.000 0.000 0.292 130 I C -0.353 175.797 176.117 0.056 0.000 0.989 130 I CA -0.737 60.516 61.300 -0.078 0.000 1.188 130 I CB 1.603 39.578 38.000 -0.041 0.000 1.342 130 I HN 0.286 nan 8.210 nan 0.000 0.457 131 I N 5.223 125.845 120.570 0.087 0.000 2.315 131 I HA 0.279 4.449 4.170 -0.000 0.000 0.291 131 I C 0.789 177.048 176.117 0.237 0.000 1.006 131 I CA -0.229 61.153 61.300 0.135 0.000 1.265 131 I CB 1.169 39.204 38.000 0.058 0.000 1.387 131 I HN 0.618 nan 8.210 nan 0.000 0.475 132 G N 6.820 115.794 108.800 0.290 0.000 2.607 132 G HA2 0.355 4.315 3.960 -0.000 0.000 0.332 132 G HA3 0.355 4.315 3.960 -0.000 0.000 0.332 132 G C 0.052 175.052 174.900 0.167 0.000 1.046 132 G CA -0.625 44.613 45.100 0.229 0.000 1.099 132 G HN 0.598 nan 8.290 nan 0.000 0.451 133 R N 2.180 122.642 120.500 -0.064 0.000 2.221 133 R HA 0.182 4.522 4.340 -0.000 0.000 0.327 133 R C -0.364 175.724 176.300 -0.353 0.000 1.033 133 R CA -0.692 55.322 56.100 -0.142 0.000 0.887 133 R CB 0.358 30.573 30.300 -0.142 0.000 1.057 133 R HN 0.678 nan 8.270 nan 0.000 0.455 134 H N 3.412 121.987 119.070 -0.825 0.000 3.091 134 H HA 0.018 4.574 4.556 -0.000 0.000 0.289 134 H C 0.577 175.634 175.328 -0.452 0.000 0.995 134 H CA 0.286 55.710 56.048 -1.039 0.000 1.461 134 H CB 1.092 30.204 29.762 -1.084 0.000 1.510 134 H HN 0.829 nan 8.280 nan 0.000 0.546 135 A N 5.459 128.116 122.820 -0.272 0.000 2.235 135 A HA -0.060 4.260 4.320 -0.000 0.000 0.208 135 A C 0.690 178.095 177.584 -0.298 0.000 1.172 135 A CA 0.433 52.305 52.037 -0.276 0.000 0.786 135 A CB -0.145 18.754 19.000 -0.167 0.000 0.804 135 A HN 0.821 nan 8.150 nan 0.000 0.479 136 H N -1.124 117.574 119.070 -0.619 0.000 2.622 136 H HA 0.487 5.043 4.556 -0.000 0.000 0.363 136 H C 0.676 175.726 175.328 -0.464 0.000 1.151 136 H CA 0.447 56.213 56.048 -0.470 0.000 1.184 136 H CB 1.305 30.904 29.762 -0.272 0.000 1.643 136 H HN 0.635 nan 8.280 nan 0.000 0.531 137 G N 3.698 111.795 108.800 -1.172 0.000 2.562 137 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.250 137 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.250 137 G C -0.388 174.300 174.900 -0.354 0.000 1.269 137 G CA 0.643 45.210 45.100 -0.888 0.000 0.919 137 G HN 0.931 nan 8.290 nan 0.000 0.574 138 D N -2.164 118.094 120.400 -0.236 0.000 3.321 138 D HA -0.208 4.432 4.640 -0.000 0.000 0.178 138 D C 1.839 178.048 176.300 -0.152 0.000 1.208 138 D CA 2.089 56.058 54.000 -0.052 0.000 1.074 138 D CB -1.172 39.686 40.800 0.097 0.000 0.560 138 D HN 0.847 nan 8.370 nan 0.000 0.618 139 Q N -1.093 118.618 119.800 -0.148 0.000 2.234 139 Q HA -0.115 4.225 4.340 -0.000 0.000 0.206 139 Q C 1.930 177.697 176.000 -0.387 0.000 0.980 139 Q CA 1.576 57.185 55.803 -0.324 0.000 0.869 139 Q CB -0.274 28.165 28.738 -0.499 0.000 0.912 139 Q HN 0.547 nan 8.270 nan 0.000 0.436 140 Y N -0.261 119.946 120.300 -0.155 0.000 2.583 140 Y HA 0.017 4.567 4.550 -0.000 0.000 0.293 140 Y C 0.992 176.804 175.900 -0.147 0.000 1.157 140 Y CA 0.547 58.567 58.100 -0.133 0.000 1.315 140 Y CB 0.491 38.873 38.460 -0.130 0.000 1.021 140 Y HN -0.107 nan 8.280 nan 0.000 0.536 141 K N -0.536 119.799 120.400 -0.109 0.000 2.564 141 K HA 0.417 4.737 4.320 -0.000 0.000 0.201 141 K C 0.281 176.839 176.600 -0.070 0.000 1.086 141 K CA 0.040 56.267 56.287 -0.100 0.000 1.062 141 K CB 0.437 32.804 32.500 -0.222 0.000 0.849 141 K HN 0.060 nan 8.250 nan 0.000 0.529 142 A N 0.898 123.653 122.820 -0.108 0.000 2.346 142 A HA 0.460 4.780 4.320 -0.000 0.000 0.252 142 A C -0.040 177.540 177.584 -0.007 0.000 1.089 142 A CA 0.321 52.321 52.037 -0.062 0.000 0.797 142 A CB 0.290 19.215 19.000 -0.125 0.000 1.047 142 A HN 0.076 nan 8.150 nan 0.000 0.494 143 T N 1.930 116.495 114.554 0.019 0.000 2.786 143 T HA 0.533 4.883 4.350 -0.000 0.000 0.283 143 T C -1.172 173.525 174.700 -0.005 0.000 0.992 143 T CA -0.493 61.619 62.100 0.020 0.000 0.954 143 T CB 0.737 69.636 68.868 0.051 0.000 0.934 143 T HN 0.749 nan 8.240 nan 0.000 0.440 144 D N 1.287 121.675 120.400 -0.020 0.000 2.738 144 D HA 0.625 5.265 4.640 -0.000 0.000 0.237 144 D C -0.760 175.527 176.300 -0.023 0.000 1.123 144 D CA -0.556 53.427 54.000 -0.028 0.000 0.856 144 D CB 2.289 43.056 40.800 -0.054 0.000 1.552 144 D HN 0.434 nan 8.370 nan 0.000 0.480 145 T N 0.254 114.796 114.554 -0.020 0.000 2.821 145 T HA 0.484 4.834 4.350 -0.000 0.000 0.306 145 T C -1.533 173.146 174.700 -0.034 0.000 1.313 145 T CA -0.616 61.468 62.100 -0.027 0.000 1.012 145 T CB 1.069 69.922 68.868 -0.026 0.000 1.298 145 T HN 0.234 nan 8.240 nan 0.000 0.502 146 L N 2.923 124.120 121.223 -0.044 0.000 2.350 146 L HA 0.559 4.899 4.340 -0.000 0.000 0.275 146 L C -0.084 176.727 176.870 -0.099 0.000 1.099 146 L CA -0.490 54.318 54.840 -0.054 0.000 0.808 146 L CB 0.891 42.924 42.059 -0.043 0.000 1.149 146 L HN 0.519 nan 8.230 nan 0.000 0.442 147 I N 5.115 125.594 120.570 -0.151 0.000 2.330 147 I HA 0.241 4.411 4.170 -0.000 0.000 0.289 147 I C -1.260 174.741 176.117 -0.193 0.000 1.001 147 I CA -2.017 59.110 61.300 -0.288 0.000 1.193 147 I CB 1.426 38.989 38.000 -0.729 0.000 1.345 147 I HN 0.470 nan 8.210 nan 0.000 0.461 148 P HA -0.032 nan 4.420 nan 0.000 0.217 148 P C 0.597 177.857 177.300 -0.068 0.000 1.150 148 P CA 1.133 64.182 63.100 -0.085 0.000 0.832 148 P CB 1.067 32.725 31.700 -0.070 0.000 0.787 149 G N -1.524 107.221 108.800 -0.092 0.000 2.490 149 G HA2 0.401 4.361 3.960 -0.000 0.000 0.308 149 G HA3 0.401 4.361 3.960 -0.000 0.000 0.308 149 G C -3.291 171.591 174.900 -0.029 0.000 1.286 149 G CA -0.866 44.211 45.100 -0.038 0.000 0.825 149 G HN -0.199 nan 8.290 nan 0.000 0.479 150 P HA 0.434 nan 4.420 nan 0.000 0.267 150 P C 0.467 177.773 177.300 0.010 0.000 1.195 150 P CA 1.562 64.683 63.100 0.035 0.000 0.773 150 P CB 0.863 32.572 31.700 0.014 0.000 0.837 151 G N -0.150 108.670 108.800 0.033 0.000 2.352 151 G HA2 0.374 4.333 3.960 -0.000 0.000 0.302 151 G HA3 0.374 4.333 3.960 -0.000 0.000 0.302 151 G C -1.245 173.693 174.900 0.063 0.000 1.370 151 G CA -0.374 44.738 45.100 0.020 0.000 0.918 151 G HN 0.581 nan 8.290 nan 0.000 0.610 152 S N -0.205 115.523 115.700 0.047 0.000 2.541 152 S HA 0.752 5.222 4.470 -0.000 0.000 0.283 152 S C -0.275 174.393 174.600 0.113 0.000 1.196 152 S CA -0.851 57.390 58.200 0.067 0.000 1.062 152 S CB 1.868 65.088 63.200 0.032 0.000 1.009 152 S HN 1.294 nan 8.310 nan 0.000 0.502 153 L N 2.716 124.045 121.223 0.177 0.000 2.319 153 L HA 0.595 4.935 4.340 -0.000 0.000 0.281 153 L C -0.704 176.252 176.870 0.143 0.000 1.005 153 L CA -0.130 54.831 54.840 0.202 0.000 0.828 153 L CB 1.036 43.336 42.059 0.402 0.000 1.227 153 L HN 0.972 nan 8.230 nan 0.000 0.415 154 E N 4.726 124.989 120.200 0.104 0.000 2.299 154 E HA 0.455 4.805 4.350 -0.000 0.000 0.265 154 E C -1.214 175.438 176.600 0.086 0.000 0.911 154 E CA -0.965 55.487 56.400 0.087 0.000 0.789 154 E CB 3.047 32.787 29.700 0.067 0.000 1.246 154 E HN 0.315 nan 8.360 nan 0.000 0.427 155 L N 2.875 124.150 121.223 0.087 0.000 2.318 155 L HA 0.405 4.745 4.340 -0.000 0.000 0.277 155 L C -1.405 175.527 176.870 0.104 0.000 1.008 155 L CA -0.660 54.237 54.840 0.095 0.000 0.846 155 L CB 1.175 43.292 42.059 0.096 0.000 1.220 155 L HN 0.363 nan 8.230 nan 0.000 0.423 156 V N 5.912 125.888 119.914 0.103 0.000 2.435 156 V HA 0.344 4.464 4.120 -0.000 0.000 0.290 156 V C -0.889 175.301 176.094 0.160 0.000 1.030 156 V CA -0.715 61.651 62.300 0.109 0.000 0.881 156 V CB 1.695 33.557 31.823 0.064 0.000 0.983 156 V HN 0.630 nan 8.190 nan 0.000 0.445 157 Y N 4.485 124.803 120.300 0.030 0.000 2.326 157 Y HA 0.566 5.116 4.550 -0.000 0.000 0.331 157 Y C -0.232 175.679 175.900 0.017 0.000 0.962 157 Y CA -1.136 56.979 58.100 0.025 0.000 1.167 157 Y CB 1.461 39.940 38.460 0.032 0.000 1.148 157 Y HN 0.596 nan 8.280 nan 0.000 0.463 158 K N 8.729 128.781 120.400 -0.579 0.000 2.367 158 K HA 0.366 4.686 4.320 -0.000 0.000 0.263 158 K C -2.633 173.518 176.600 -0.749 0.000 1.000 158 K CA -1.900 54.065 56.287 -0.536 0.000 0.891 158 K CB 1.215 33.573 32.500 -0.237 0.000 1.117 158 K HN 0.490 nan 8.250 nan 0.000 0.443 159 P HA 0.038 nan 4.420 nan 0.000 0.272 159 P C -0.188 176.998 177.300 -0.190 0.000 1.223 159 P CA -0.239 62.601 63.100 -0.434 0.000 0.784 159 P CB 1.119 32.704 31.700 -0.192 0.000 0.923 160 S N -0.117 115.531 115.700 -0.087 0.000 2.650 160 S HA 0.009 4.479 4.470 -0.000 0.000 0.219 160 S C 0.427 175.007 174.600 -0.032 0.000 0.960 160 S CA 0.486 58.656 58.200 -0.049 0.000 0.925 160 S CB -0.467 62.722 63.200 -0.018 0.000 0.775 160 S HN 0.587 nan 8.310 nan 0.000 0.525 161 D N -0.087 120.295 120.400 -0.031 0.000 2.491 161 D HA 0.167 4.807 4.640 -0.000 0.000 0.232 161 D C -2.703 173.590 176.300 -0.012 0.000 1.334 161 D CA -1.149 52.842 54.000 -0.016 0.000 0.909 161 D CB 1.187 41.986 40.800 -0.001 0.000 1.513 161 D HN -0.160 nan 8.370 nan 0.000 0.514 162 P HA -0.121 nan 4.420 nan 0.000 0.218 162 P C 1.263 178.563 177.300 -0.001 0.000 1.146 162 P CA 1.390 64.480 63.100 -0.016 0.000 0.813 162 P CB 0.138 31.824 31.700 -0.023 0.000 0.778 163 T N -5.831 108.723 114.554 0.000 0.000 3.194 163 T HA 0.063 4.413 4.350 -0.000 0.000 0.251 163 T C 1.144 175.850 174.700 0.010 0.000 1.132 163 T CA 1.129 63.232 62.100 0.005 0.000 1.028 163 T CB -0.936 67.933 68.868 0.002 0.000 0.976 163 T HN 0.208 nan 8.240 nan 0.000 0.535 164 T N -2.768 111.796 114.554 0.016 0.000 3.010 164 T HA 0.680 5.030 4.350 -0.000 0.000 0.253 164 T C 0.450 175.172 174.700 0.038 0.000 0.939 164 T CA 0.226 62.340 62.100 0.023 0.000 0.910 164 T CB 0.334 69.215 68.868 0.022 0.000 1.226 164 T HN 0.550 nan 8.240 nan 0.000 0.508 165 A N 0.952 123.801 122.820 0.047 0.000 2.556 165 A HA 0.777 5.097 4.320 -0.000 0.000 0.294 165 A C -1.535 176.093 177.584 0.073 0.000 1.091 165 A CA -0.866 51.220 52.037 0.081 0.000 0.704 165 A CB 1.541 20.626 19.000 0.141 0.000 1.300 165 A HN 0.153 nan 8.150 nan 0.000 0.406 166 Q N 1.394 121.257 119.800 0.104 0.000 2.274 166 Q HA 0.485 4.825 4.340 -0.000 0.000 0.260 166 Q C -2.406 173.670 176.000 0.125 0.000 0.974 166 Q CA -1.825 54.028 55.803 0.083 0.000 0.876 166 Q CB 1.901 30.683 28.738 0.072 0.000 1.297 166 Q HN 0.636 nan 8.270 nan 0.000 0.446 167 P HA 0.090 nan 4.420 nan 0.000 0.273 167 P C -0.903 176.482 177.300 0.142 0.000 1.250 167 P CA -0.134 62.984 63.100 0.030 0.000 0.793 167 P CB 0.996 32.673 31.700 -0.039 0.000 1.011 168 Q N -0.720 119.193 119.800 0.188 0.000 2.345 168 Q HA 0.504 4.844 4.340 -0.000 0.000 0.275 168 Q C -1.175 174.903 176.000 0.131 0.000 1.063 168 Q CA -0.521 55.389 55.803 0.178 0.000 0.819 168 Q CB 2.503 31.382 28.738 0.234 0.000 1.356 168 Q HN 0.322 nan 8.270 nan 0.000 0.418 169 T N 2.694 117.304 114.554 0.093 0.000 2.985 169 T HA 0.392 4.742 4.350 -0.000 0.000 0.315 169 T C -1.114 173.628 174.700 0.070 0.000 1.001 169 T CA -0.592 61.553 62.100 0.075 0.000 1.016 169 T CB 0.464 69.364 68.868 0.054 0.000 0.993 169 T HN 0.204 nan 8.240 nan 0.000 0.454 170 L N 2.824 124.092 121.223 0.075 0.000 2.322 170 L HA 0.582 4.922 4.340 -0.000 0.000 0.281 170 L C 0.274 177.184 176.870 0.068 0.000 1.014 170 L CA -1.055 53.826 54.840 0.068 0.000 0.815 170 L CB 1.493 43.595 42.059 0.072 0.000 1.247 170 L HN 0.499 nan 8.230 nan 0.000 0.421 171 K N 2.167 122.604 120.400 0.060 0.000 2.262 171 K HA 0.238 4.558 4.320 -0.000 0.000 0.288 171 K C 0.503 177.150 176.600 0.079 0.000 1.090 171 K CA -0.060 56.266 56.287 0.064 0.000 0.918 171 K CB 0.533 33.062 32.500 0.047 0.000 1.139 171 K HN 0.407 nan 8.250 nan 0.000 0.462 172 V N 4.171 124.145 119.914 0.101 0.000 2.379 172 V HA 0.001 4.121 4.120 -0.000 0.000 0.245 172 V C 0.270 176.470 176.094 0.176 0.000 1.044 172 V CA 0.907 63.274 62.300 0.112 0.000 1.036 172 V CB -0.840 31.053 31.823 0.117 0.000 0.664 172 V HN 0.796 nan 8.190 nan 0.000 0.453 173 Y N -1.185 119.109 120.300 -0.011 0.000 2.732 173 Y HA 0.362 4.912 4.550 -0.000 0.000 0.342 173 Y C -1.951 173.934 175.900 -0.024 0.000 1.203 173 Y CA -1.904 56.143 58.100 -0.089 0.000 1.092 173 Y CB 1.424 39.718 38.460 -0.276 0.000 1.345 173 Y HN 0.030 nan 8.280 nan 0.000 0.458 174 D N 3.770 123.711 120.400 -0.764 0.000 2.404 174 D HA 0.180 4.820 4.640 -0.000 0.000 0.267 174 D C -1.046 174.756 176.300 -0.831 0.000 1.194 174 D CA -0.144 53.545 54.000 -0.519 0.000 0.910 174 D CB 0.409 41.022 40.800 -0.311 0.000 1.090 174 D HN 0.342 nan 8.370 nan 0.000 0.511 175 Y N 1.098 121.047 120.300 -0.586 0.000 2.788 175 Y HA -0.078 4.472 4.550 -0.000 0.000 0.341 175 Y C 1.921 177.704 175.900 -0.195 0.000 1.258 175 Y CA 0.442 58.362 58.100 -0.300 0.000 1.503 175 Y CB 0.738 39.195 38.460 -0.005 0.000 1.325 175 Y HN 0.034 nan 8.280 nan 0.000 0.614 176 K N 1.128 121.561 120.400 0.055 0.000 2.438 176 K HA 0.366 4.686 4.320 -0.000 0.000 0.206 176 K C 0.334 176.979 176.600 0.076 0.000 1.081 176 K CA 0.443 56.748 56.287 0.031 0.000 1.053 176 K CB 1.144 33.644 32.500 0.000 0.000 0.908 176 K HN 0.878 nan 8.250 nan 0.000 0.556 177 G N 0.392 109.280 108.800 0.146 0.000 2.548 177 G HA2 0.201 4.161 3.960 -0.000 0.000 0.301 177 G HA3 0.201 4.161 3.960 -0.000 0.000 0.301 177 G C -1.169 173.827 174.900 0.160 0.000 1.349 177 G CA -0.554 44.617 45.100 0.119 0.000 0.792 177 G HN -0.018 nan 8.290 nan 0.000 0.481 178 S N -1.123 114.634 115.700 0.095 0.000 2.579 178 S HA 0.750 5.220 4.470 -0.000 0.000 0.275 178 S C 0.628 175.309 174.600 0.136 0.000 1.345 178 S CA 0.672 58.911 58.200 0.064 0.000 1.031 178 S CB 1.374 64.589 63.200 0.024 0.000 0.892 178 S HN 2.196 nan 8.310 nan 0.000 0.529 179 G N 0.126 108.988 108.800 0.104 0.000 2.500 179 G HA2 0.585 4.545 3.960 -0.000 0.000 0.299 179 G HA3 0.585 4.545 3.960 -0.000 0.000 0.299 179 G C -0.851 174.115 174.900 0.110 0.000 1.242 179 G CA -0.159 45.057 45.100 0.193 0.000 0.859 179 G HN 1.772 nan 8.290 nan 0.000 0.481 180 V N -3.163 116.857 119.914 0.176 0.000 3.102 180 V HA 1.038 5.158 4.120 -0.000 0.000 0.312 180 V C -0.087 176.100 176.094 0.155 0.000 1.135 180 V CA -0.411 61.943 62.300 0.089 0.000 1.022 180 V CB 1.190 33.031 31.823 0.030 0.000 1.056 180 V HN 2.469 nan 8.190 nan 0.000 0.436 181 A N 3.297 126.165 122.820 0.081 0.000 2.604 181 A HA 0.998 5.318 4.320 -0.000 0.000 0.295 181 A C -0.863 176.736 177.584 0.025 0.000 1.067 181 A CA -0.199 51.895 52.037 0.096 0.000 0.683 181 A CB 2.079 21.175 19.000 0.162 0.000 1.281 181 A HN 2.313 nan 8.150 nan 0.000 0.407 182 M N 0.014 119.620 119.600 0.009 0.000 2.643 182 M HA 0.863 5.343 4.480 -0.000 0.000 0.276 182 M C -0.990 175.303 176.300 -0.013 0.000 1.200 182 M CA -0.453 54.837 55.300 -0.017 0.000 0.863 182 M CB 1.930 34.492 32.600 -0.063 0.000 1.711 182 M HN 1.980 nan 8.290 nan 0.000 0.492 183 A N 3.120 125.941 122.820 0.002 0.000 2.515 183 A HA 0.989 5.309 4.320 -0.000 0.000 0.298 183 A C -0.957 176.651 177.584 0.040 0.000 1.059 183 A CA -0.814 51.240 52.037 0.028 0.000 0.698 183 A CB 1.953 20.998 19.000 0.075 0.000 1.289 183 A HN 1.195 nan 8.150 nan 0.000 0.404 184 M N 0.431 120.062 119.600 0.052 0.000 2.664 184 M HA 0.929 5.409 4.480 -0.000 0.000 0.279 184 M C -1.117 175.346 176.300 0.272 0.000 1.275 184 M CA -0.803 54.532 55.300 0.058 0.000 0.829 184 M CB 2.027 34.569 32.600 -0.097 0.000 1.727 184 M HN 1.101 nan 8.290 nan 0.000 0.459 185 Y N -1.463 118.987 120.300 0.251 0.000 2.689 185 Y HA 0.850 5.400 4.550 -0.000 0.000 0.333 185 Y C -1.828 174.247 175.900 0.291 0.000 1.190 185 Y CA -0.936 57.352 58.100 0.313 0.000 1.063 185 Y CB 1.626 40.191 38.460 0.176 0.000 1.294 185 Y HN 1.005 nan 8.280 nan 0.000 0.466 186 N N -1.381 117.561 118.700 0.404 0.000 2.961 186 N HA 0.562 5.302 4.740 -0.000 0.000 0.245 186 N C -2.006 173.668 175.510 0.272 0.000 1.404 186 N CA -0.725 52.532 53.050 0.344 0.000 0.880 186 N CB 2.437 41.068 38.487 0.240 0.000 1.461 186 N HN 0.823 nan 8.380 nan 0.000 0.510 187 T N 0.390 115.096 114.554 0.253 0.000 2.859 187 T HA 0.205 4.555 4.350 -0.000 0.000 0.281 187 T C 0.086 174.778 174.700 -0.013 0.000 1.005 187 T CA -0.400 61.756 62.100 0.093 0.000 1.025 187 T CB 1.259 70.166 68.868 0.065 0.000 0.977 187 T HN 0.415 nan 8.240 nan 0.000 0.458 188 D N 1.254 121.624 120.400 -0.049 0.000 2.144 188 D HA -0.099 4.541 4.640 -0.000 0.000 0.199 188 D C 1.864 178.133 176.300 -0.052 0.000 0.984 188 D CA 1.061 55.013 54.000 -0.080 0.000 0.834 188 D CB 0.143 40.904 40.800 -0.064 0.000 0.955 188 D HN 0.759 nan 8.370 nan 0.000 0.465 189 E N 0.244 120.425 120.200 -0.031 0.000 2.077 189 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 189 E C 1.949 178.543 176.600 -0.010 0.000 0.989 189 E CA 1.120 57.509 56.400 -0.019 0.000 0.800 189 E CB 0.011 29.696 29.700 -0.025 0.000 0.746 189 E HN 0.025 nan 8.360 nan 0.000 0.452 190 S N -0.113 115.576 115.700 -0.018 0.000 2.368 190 S HA -0.091 4.379 4.470 -0.000 0.000 0.224 190 S C 1.973 176.636 174.600 0.106 0.000 1.029 190 S CA 0.991 59.217 58.200 0.043 0.000 0.988 190 S CB -0.252 62.928 63.200 -0.033 0.000 0.838 190 S HN 0.339 nan 8.310 nan 0.000 0.462 191 I N 1.166 121.734 120.570 -0.005 0.000 2.226 191 I HA -0.142 4.028 4.170 -0.000 0.000 0.245 191 I C 2.646 178.728 176.117 -0.059 0.000 1.100 191 I CA 1.562 62.781 61.300 -0.136 0.000 1.374 191 I CB -0.389 37.380 38.000 -0.386 0.000 1.057 191 I HN 0.445 nan 8.210 nan 0.000 0.413 192 E N 1.086 121.251 120.200 -0.057 0.000 2.110 192 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 192 E C 2.262 178.878 176.600 0.026 0.000 0.988 192 E CA 1.278 57.643 56.400 -0.059 0.000 0.804 192 E CB -0.156 29.550 29.700 0.011 0.000 0.745 192 E HN 0.509 nan 8.360 nan 0.000 0.458 193 G N 0.345 109.199 108.800 0.090 0.000 2.422 193 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.218 193 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.218 193 G C 1.383 176.373 174.900 0.149 0.000 1.140 193 G CA 0.407 45.592 45.100 0.141 0.000 0.775 193 G HN 0.425 nan 8.290 nan 0.000 0.545 194 F N 1.932 121.826 119.950 -0.093 0.000 2.134 194 F HA -0.023 4.504 4.527 -0.000 0.000 0.299 194 F C 2.811 178.498 175.800 -0.189 0.000 1.097 194 F CA 1.132 59.069 58.000 -0.105 0.000 1.264 194 F CB 0.150 38.983 39.000 -0.278 0.000 1.001 194 F HN 0.259 nan 8.300 nan 0.000 0.479 195 A N 0.234 122.659 122.820 -0.658 0.000 1.855 195 A HA -0.217 4.103 4.320 -0.000 0.000 0.215 195 A C 2.031 179.259 177.584 -0.593 0.000 1.191 195 A CA 1.684 52.864 52.037 -1.430 0.000 0.613 195 A CB -1.398 16.679 19.000 -1.537 0.000 0.829 195 A HN 0.555 nan 8.150 nan 0.000 0.442 196 H N -0.000 118.965 119.070 -0.174 0.000 2.319 196 H HA -0.096 4.460 4.556 -0.000 0.000 0.297 196 H C 2.581 177.908 175.328 -0.002 0.000 1.097 196 H CA 1.843 57.900 56.048 0.015 0.000 1.285 196 H CB -0.370 29.449 29.762 0.095 0.000 1.368 196 H HN 0.464 nan 8.280 nan 0.000 0.495 197 S N 0.071 115.875 115.700 0.173 0.000 2.382 197 S HA -0.105 4.365 4.470 -0.000 0.000 0.228 197 S C 2.472 177.249 174.600 0.295 0.000 1.027 197 S CA 1.072 59.427 58.200 0.258 0.000 0.991 197 S CB -0.038 63.351 63.200 0.315 0.000 0.823 197 S HN 0.347 nan 8.310 nan 0.000 0.469 198 S N 1.060 116.831 115.700 0.117 0.000 2.355 198 S HA -0.001 4.469 4.470 -0.000 0.000 0.222 198 S C 1.518 176.045 174.600 -0.122 0.000 1.031 198 S CA 1.076 59.309 58.200 0.056 0.000 0.993 198 S CB -0.421 62.656 63.200 -0.206 0.000 0.859 198 S HN 0.455 nan 8.310 nan 0.000 0.453 199 F N 2.179 121.996 119.950 -0.220 0.000 2.134 199 F HA -0.026 4.501 4.527 -0.000 0.000 0.299 199 F C 2.343 178.001 175.800 -0.236 0.000 1.097 199 F CA 0.840 58.647 58.000 -0.322 0.000 1.264 199 F CB -0.369 37.997 39.000 -1.056 0.000 1.001 199 F HN 0.043 nan 8.300 nan 0.000 0.479 200 K N -0.071 120.300 120.400 -0.048 0.000 2.026 200 K HA -0.142 4.178 4.320 -0.000 0.000 0.208 200 K C 2.207 178.825 176.600 0.031 0.000 1.048 200 K CA 0.807 57.132 56.287 0.064 0.000 0.929 200 K CB -0.997 31.587 32.500 0.139 0.000 0.713 200 K HN 0.231 nan 8.250 nan 0.000 0.439 201 L N 1.280 122.491 121.223 -0.021 0.000 2.046 201 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 201 L C 2.297 179.097 176.870 -0.116 0.000 1.077 201 L CA 1.771 56.518 54.840 -0.155 0.000 0.747 201 L CB -1.088 40.704 42.059 -0.446 0.000 0.896 201 L HN 0.092 nan 8.230 nan 0.000 0.432 202 A N 0.192 122.982 122.820 -0.050 0.000 1.883 202 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 202 A C 2.223 179.704 177.584 -0.172 0.000 1.186 202 A CA 1.938 53.935 52.037 -0.067 0.000 0.624 202 A CB -0.625 18.414 19.000 0.065 0.000 0.822 202 A HN 0.482 nan 8.150 nan 0.000 0.444 203 I N -0.515 119.971 120.570 -0.140 0.000 2.179 203 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 203 I C 2.331 178.398 176.117 -0.083 0.000 1.088 203 I CA 1.927 63.141 61.300 -0.144 0.000 1.357 203 I CB -0.427 37.583 38.000 0.016 0.000 1.051 203 I HN 0.435 nan 8.210 nan 0.000 0.409 204 D N 1.083 121.455 120.400 -0.048 0.000 2.117 204 D HA -0.205 4.435 4.640 -0.000 0.000 0.197 204 D C 1.996 178.258 176.300 -0.063 0.000 0.987 204 D CA 1.525 55.501 54.000 -0.041 0.000 0.829 204 D CB 0.088 40.868 40.800 -0.033 0.000 0.961 204 D HN 0.130 nan 8.370 nan 0.000 0.460 205 K N -0.217 120.132 120.400 -0.086 0.000 2.444 205 K HA 0.082 4.402 4.320 -0.000 0.000 0.193 205 K C -0.181 176.373 176.600 -0.076 0.000 1.024 205 K CA 0.036 56.274 56.287 -0.082 0.000 1.077 205 K CB 0.309 32.750 32.500 -0.099 0.000 0.833 205 K HN 0.066 nan 8.250 nan 0.000 0.517 206 K N 1.168 121.507 120.400 -0.101 0.000 3.257 206 K HA -0.190 4.130 4.320 -0.000 0.000 0.270 206 K C -0.804 175.743 176.600 -0.089 0.000 0.984 206 K CA 0.537 56.755 56.287 -0.116 0.000 0.739 206 K CB -1.801 30.652 32.500 -0.078 0.000 1.351 206 K HN 0.208 nan 8.250 nan 0.000 0.463 207 L N 0.310 121.477 121.223 -0.094 0.000 2.341 207 L HA 0.397 4.737 4.340 -0.000 0.000 0.267 207 L C 0.587 177.451 176.870 -0.010 0.000 1.009 207 L CA -1.305 53.527 54.840 -0.013 0.000 0.819 207 L CB 1.427 43.498 42.059 0.020 0.000 1.323 207 L HN 0.077 nan 8.230 nan 0.000 0.425 208 N N 1.839 120.585 118.700 0.078 0.000 2.508 208 N HA 0.307 5.047 4.740 -0.000 0.000 0.264 208 N C -0.936 174.572 175.510 -0.004 0.000 1.216 208 N CA -0.079 52.983 53.050 0.020 0.000 0.943 208 N CB 1.398 39.879 38.487 -0.011 0.000 1.113 208 N HN 0.391 nan 8.380 nan 0.000 0.447 209 L N 2.298 123.472 121.223 -0.083 0.000 2.362 209 L HA 0.516 4.856 4.340 -0.000 0.000 0.275 209 L C -1.459 175.225 176.870 -0.309 0.000 0.998 209 L CA -0.635 54.212 54.840 0.011 0.000 0.820 209 L CB 0.741 42.956 42.059 0.260 0.000 1.270 209 L HN 0.396 nan 8.230 nan 0.000 0.415 210 F N 4.878 124.881 119.950 0.088 0.000 2.518 210 F HA 0.432 4.959 4.527 -0.000 0.000 0.323 210 F C -0.208 175.548 175.800 -0.073 0.000 1.129 210 F CA -0.575 57.378 58.000 -0.078 0.000 0.920 210 F CB 1.998 40.902 39.000 -0.160 0.000 1.160 210 F HN 0.220 nan 8.300 nan 0.000 0.440 211 L N 2.913 124.135 121.223 -0.000 0.000 2.295 211 L HA 0.634 4.974 4.340 -0.000 0.000 0.285 211 L C -0.829 175.871 176.870 -0.282 0.000 1.035 211 L CA -0.066 54.670 54.840 -0.174 0.000 0.806 211 L CB 1.515 43.392 42.059 -0.304 0.000 1.214 211 L HN 0.620 nan 8.230 nan 0.000 0.426 212 S N 2.541 118.098 115.700 -0.238 0.000 2.502 212 S HA 0.764 5.234 4.470 -0.000 0.000 0.304 212 S C -0.267 174.212 174.600 -0.202 0.000 1.097 212 S CA -0.550 57.475 58.200 -0.290 0.000 1.045 212 S CB 1.967 65.068 63.200 -0.164 0.000 1.019 212 S HN 0.806 nan 8.310 nan 0.000 0.481 213 T N -0.506 113.944 114.554 -0.172 0.000 2.681 213 T HA 0.656 5.006 4.350 -0.000 0.000 0.296 213 T C -0.992 173.725 174.700 0.029 0.000 1.157 213 T CA -0.835 61.258 62.100 -0.013 0.000 1.025 213 T CB 1.473 70.432 68.868 0.152 0.000 1.441 213 T HN 0.271 nan 8.240 nan 0.000 0.504 214 K N 1.298 121.729 120.400 0.050 0.000 3.167 214 K HA 0.301 4.621 4.320 -0.000 0.000 0.208 214 K C 1.246 177.892 176.600 0.076 0.000 1.159 214 K CA -0.449 55.867 56.287 0.048 0.000 1.018 214 K CB -0.561 31.949 32.500 0.016 0.000 0.927 214 K HN 0.591 nan 8.250 nan 0.000 0.476 215 N N -0.574 118.200 118.700 0.123 0.000 2.585 215 N HA -0.155 4.585 4.740 -0.000 0.000 0.188 215 N C 0.735 176.287 175.510 0.069 0.000 1.102 215 N CA 1.513 54.625 53.050 0.105 0.000 0.920 215 N CB -0.236 38.303 38.487 0.086 0.000 0.963 215 N HN 0.330 nan 8.380 nan 0.000 0.447 216 T N -1.938 112.652 114.554 0.061 0.000 2.985 216 T HA 0.085 4.435 4.350 -0.000 0.000 0.266 216 T C 1.833 176.552 174.700 0.031 0.000 1.076 216 T CA 0.522 62.646 62.100 0.040 0.000 1.135 216 T CB -0.063 68.825 68.868 0.033 0.000 0.890 216 T HN 0.099 nan 8.240 nan 0.000 0.480 217 I N 0.123 120.711 120.570 0.031 0.000 3.172 217 I HA 0.340 4.510 4.170 -0.000 0.000 0.278 217 I C 0.768 176.901 176.117 0.027 0.000 1.174 217 I CA 0.516 61.827 61.300 0.018 0.000 1.445 217 I CB 0.195 38.197 38.000 0.002 0.000 1.175 217 I HN 0.141 nan 8.210 nan 0.000 0.447 218 L N 1.193 122.445 121.223 0.049 0.000 2.603 218 L HA 0.291 4.631 4.340 -0.000 0.000 0.242 218 L C 1.149 178.089 176.870 0.116 0.000 1.169 218 L CA -0.186 54.702 54.840 0.080 0.000 1.029 218 L CB 0.245 42.357 42.059 0.088 0.000 1.361 218 L HN 0.060 nan 8.230 nan 0.000 0.439 219 K N 0.259 120.711 120.400 0.086 0.000 2.152 219 K HA -0.162 4.158 4.320 -0.000 0.000 0.206 219 K C 1.439 178.097 176.600 0.098 0.000 1.048 219 K CA 1.380 57.714 56.287 0.079 0.000 0.933 219 K CB 0.178 32.709 32.500 0.053 0.000 0.721 219 K HN 0.464 nan 8.250 nan 0.000 0.447 220 K N -0.389 120.085 120.400 0.123 0.000 2.102 220 K HA -0.045 4.275 4.320 -0.000 0.000 0.206 220 K C 2.085 178.797 176.600 0.186 0.000 1.031 220 K CA 0.604 56.966 56.287 0.126 0.000 0.962 220 K CB -0.393 32.173 32.500 0.110 0.000 0.811 220 K HN -0.013 nan 8.250 nan 0.000 0.453 221 Y N 2.817 123.187 120.300 0.117 0.000 2.053 221 Y HA -0.302 4.248 4.550 -0.000 0.000 0.277 221 Y C 1.756 177.840 175.900 0.307 0.000 1.159 221 Y CA 2.058 60.271 58.100 0.188 0.000 1.125 221 Y CB -0.191 38.362 38.460 0.155 0.000 0.969 221 Y HN 0.120 nan 8.280 nan 0.000 0.492 222 D N -1.169 119.518 120.400 0.479 0.000 2.194 222 D HA -0.039 4.601 4.640 -0.000 0.000 0.204 222 D C 2.295 178.787 176.300 0.320 0.000 0.964 222 D CA 1.237 55.470 54.000 0.389 0.000 0.846 222 D CB -0.700 40.228 40.800 0.214 0.000 0.962 222 D HN 0.484 nan 8.370 nan 0.000 0.490 223 G N 0.320 109.245 108.800 0.209 0.000 2.448 223 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.219 223 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.219 223 G C 1.779 176.757 174.900 0.130 0.000 1.127 223 G CA 0.472 45.643 45.100 0.118 0.000 0.766 223 G HN 0.115 nan 8.290 nan 0.000 0.552 224 R N -0.055 120.538 120.500 0.155 0.000 2.096 224 R HA 0.031 4.371 4.340 -0.000 0.000 0.235 224 R C 2.119 178.467 176.300 0.080 0.000 1.127 224 R CA 1.069 57.206 56.100 0.062 0.000 0.968 224 R CB -0.732 29.539 30.300 -0.048 0.000 0.861 224 R HN 0.381 nan 8.270 nan 0.000 0.440 225 F N 0.616 120.623 119.950 0.094 0.000 2.113 225 F HA -0.076 4.451 4.527 -0.000 0.000 0.297 225 F C 2.323 178.208 175.800 0.142 0.000 1.103 225 F CA 1.809 59.897 58.000 0.147 0.000 1.248 225 F CB -0.462 38.606 39.000 0.113 0.000 0.999 225 F HN 0.053 nan 8.300 nan 0.000 0.475 226 K N 0.322 120.880 120.400 0.264 0.000 2.057 226 K HA -0.194 4.126 4.320 -0.000 0.000 0.207 226 K C 1.658 178.351 176.600 0.154 0.000 1.049 226 K CA 2.000 58.360 56.287 0.120 0.000 0.931 226 K CB -0.226 32.129 32.500 -0.242 0.000 0.714 226 K HN 0.136 nan 8.250 nan 0.000 0.440 227 D N 0.797 121.263 120.400 0.110 0.000 2.097 227 D HA -0.132 4.508 4.640 -0.000 0.000 0.197 227 D C 2.059 178.427 176.300 0.113 0.000 0.984 227 D CA 1.163 55.216 54.000 0.090 0.000 0.826 227 D CB -0.164 40.664 40.800 0.048 0.000 0.973 227 D HN 0.293 nan 8.370 nan 0.000 0.460 228 I N 0.288 120.926 120.570 0.113 0.000 2.208 228 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 228 I C 2.264 178.446 176.117 0.107 0.000 1.097 228 I CA 0.832 62.175 61.300 0.071 0.000 1.363 228 I CB -0.220 37.790 38.000 0.016 0.000 1.051 228 I HN -0.121 nan 8.210 nan 0.000 0.413 229 F N 1.011 120.971 119.950 0.016 0.000 2.095 229 F HA -0.297 4.230 4.527 -0.000 0.000 0.298 229 F C 2.763 178.617 175.800 0.089 0.000 1.104 229 F CA 1.952 59.976 58.000 0.040 0.000 1.232 229 F CB -0.644 38.364 39.000 0.013 0.000 0.987 229 F HN 0.074 nan 8.300 nan 0.000 0.475 230 Q N 0.616 120.603 119.800 0.311 0.000 2.124 230 Q HA -0.224 4.116 4.340 -0.000 0.000 0.202 230 Q C 2.151 178.227 176.000 0.127 0.000 0.977 230 Q CA 2.023 57.980 55.803 0.256 0.000 0.850 230 Q CB -0.459 28.414 28.738 0.226 0.000 0.901 230 Q HN 0.565 nan 8.270 nan 0.000 0.429 231 E N -1.098 119.140 120.200 0.063 0.000 2.077 231 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 231 E C 1.778 178.326 176.600 -0.087 0.000 0.989 231 E CA 1.441 57.836 56.400 -0.009 0.000 0.800 231 E CB 0.013 29.707 29.700 -0.010 0.000 0.746 231 E HN 0.282 nan 8.360 nan 0.000 0.452 232 V N 0.679 120.514 119.914 -0.132 0.000 2.358 232 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 232 V C 2.165 178.032 176.094 -0.378 0.000 1.047 232 V CA 1.944 64.087 62.300 -0.262 0.000 1.035 232 V CB -0.778 30.813 31.823 -0.387 0.000 0.658 232 V HN 0.419 nan 8.190 nan 0.000 0.452 233 Y N 1.749 121.645 120.300 -0.673 0.000 2.081 233 Y HA -0.283 4.267 4.550 -0.000 0.000 0.280 233 Y C 2.479 178.101 175.900 -0.464 0.000 1.163 233 Y CA 2.242 59.773 58.100 -0.949 0.000 1.135 233 Y CB -0.303 37.723 38.460 -0.723 0.000 0.970 233 Y HN 0.409 nan 8.280 nan 0.000 0.498 234 E N -0.438 119.567 120.200 -0.325 0.000 2.274 234 E HA -0.067 4.283 4.350 -0.000 0.000 0.194 234 E C 2.205 178.636 176.600 -0.282 0.000 0.996 234 E CA 0.594 56.812 56.400 -0.304 0.000 0.840 234 E CB -0.184 29.449 29.700 -0.112 0.000 0.772 234 E HN 0.564 nan 8.360 nan 0.000 0.491 235 A N 0.825 123.486 122.820 -0.265 0.000 1.898 235 A HA -0.102 4.218 4.320 -0.000 0.000 0.214 235 A C 1.878 179.280 177.584 -0.303 0.000 1.183 235 A CA 1.086 52.989 52.037 -0.224 0.000 0.622 235 A CB 0.155 19.061 19.000 -0.157 0.000 0.824 235 A HN 0.111 nan 8.150 nan 0.000 0.444 236 Q N -3.481 116.039 119.800 -0.466 0.000 2.123 236 Q HA 0.174 4.514 4.340 -0.000 0.000 0.244 236 Q C 0.320 175.788 176.000 -0.887 0.000 0.769 236 Q CA 0.146 55.528 55.803 -0.701 0.000 0.938 236 Q CB 0.734 28.929 28.738 -0.904 0.000 1.170 236 Q HN 0.768 nan 8.270 nan 0.000 0.469 237 Y N -0.361 119.675 120.300 -0.440 0.000 2.426 237 Y HA 0.261 4.811 4.550 -0.000 0.000 0.249 237 Y C 1.861 177.485 175.900 -0.461 0.000 1.103 237 Y CA -0.366 57.524 58.100 -0.349 0.000 1.256 237 Y CB 0.467 38.751 38.460 -0.293 0.000 1.208 237 Y HN -0.115 nan 8.280 nan 0.000 0.519 238 K N 1.351 121.270 120.400 -0.803 0.000 2.032 238 K HA -0.279 4.041 4.320 -0.000 0.000 0.218 238 K C 2.261 178.721 176.600 -0.233 0.000 1.054 238 K CA 2.551 58.289 56.287 -0.915 0.000 0.941 238 K CB -0.241 31.776 32.500 -0.805 0.000 0.720 238 K HN 0.392 nan 8.250 nan 0.000 0.449 239 S N 0.305 115.910 115.700 -0.158 0.000 2.399 239 S HA -0.141 4.329 4.470 -0.000 0.000 0.231 239 S C 1.729 176.352 174.600 0.039 0.000 1.022 239 S CA 1.272 59.446 58.200 -0.043 0.000 0.983 239 S CB -0.224 62.938 63.200 -0.064 0.000 0.803 239 S HN 0.339 nan 8.310 nan 0.000 0.480 240 K N 0.201 120.650 120.400 0.082 0.000 2.057 240 K HA 0.031 4.351 4.320 -0.000 0.000 0.207 240 K C 1.720 178.434 176.600 0.189 0.000 1.049 240 K CA 1.408 57.778 56.287 0.138 0.000 0.931 240 K CB -0.398 32.225 32.500 0.205 0.000 0.714 240 K HN 0.317 nan 8.250 nan 0.000 0.440 241 F N 2.066 122.053 119.950 0.061 0.000 2.134 241 F HA -0.138 4.389 4.527 -0.000 0.000 0.299 241 F C 2.154 177.954 175.800 -0.001 0.000 1.097 241 F CA 1.358 59.409 58.000 0.086 0.000 1.264 241 F CB -0.244 38.905 39.000 0.250 0.000 1.001 241 F HN 0.077 nan 8.300 nan 0.000 0.479 242 E N -0.630 119.685 120.200 0.192 0.000 2.106 242 E HA -0.245 4.105 4.350 -0.000 0.000 0.192 242 E C 2.225 178.842 176.600 0.027 0.000 0.984 242 E CA 0.949 57.395 56.400 0.076 0.000 0.806 242 E CB -0.283 29.462 29.700 0.074 0.000 0.750 242 E HN 0.322 nan 8.360 nan 0.000 0.458 243 Q N 1.057 120.876 119.800 0.031 0.000 2.084 243 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 243 Q C 2.112 178.106 176.000 -0.012 0.000 0.978 243 Q CA 1.243 57.052 55.803 0.009 0.000 0.844 243 Q CB -0.081 28.663 28.738 0.011 0.000 0.898 243 Q HN 0.347 nan 8.270 nan 0.000 0.426 244 L N -0.724 120.480 121.223 -0.032 0.000 2.395 244 L HA 0.041 4.381 4.340 -0.000 0.000 0.218 244 L C 1.346 178.169 176.870 -0.078 0.000 1.130 244 L CA 0.670 55.470 54.840 -0.067 0.000 0.826 244 L CB -0.240 41.745 42.059 -0.124 0.000 0.941 244 L HN 0.499 nan 8.230 nan 0.000 0.451 245 G N 1.276 110.023 108.800 -0.088 0.000 2.137 245 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.237 245 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.237 245 G C 0.203 174.972 174.900 -0.219 0.000 1.002 245 G CA 0.416 45.448 45.100 -0.115 0.000 0.702 245 G HN 0.447 nan 8.290 nan 0.000 0.515 246 I N -2.904 117.503 120.570 -0.272 0.000 2.822 246 I HA 0.932 5.102 4.170 -0.000 0.000 0.312 246 I C 0.051 176.032 176.117 -0.225 0.000 1.011 246 I CA -1.637 59.517 61.300 -0.242 0.000 1.105 246 I CB 1.501 39.315 38.000 -0.310 0.000 1.291 246 I HN 0.027 nan 8.210 nan 0.000 0.474 247 H N 1.135 120.344 119.070 0.232 0.000 2.821 247 H HA 0.525 5.081 4.556 -0.000 0.000 0.373 247 H C -1.617 173.857 175.328 0.242 0.000 1.165 247 H CA -0.532 55.695 56.048 0.298 0.000 1.154 247 H CB 1.771 31.575 29.762 0.071 0.000 1.765 247 H HN 0.638 nan 8.280 nan 0.000 0.549 248 Y N 0.860 121.187 120.300 0.045 0.000 2.409 248 Y HA 0.544 5.094 4.550 -0.000 0.000 0.339 248 Y C -0.750 174.989 175.900 -0.268 0.000 1.033 248 Y CA -0.910 57.041 58.100 -0.250 0.000 1.094 248 Y CB 1.634 39.678 38.460 -0.694 0.000 1.210 248 Y HN 0.815 nan 8.280 nan 0.000 0.456 249 E N 4.252 123.621 120.200 -1.386 0.000 2.381 249 E HA 0.154 4.504 4.350 -0.000 0.000 0.286 249 E C -2.092 174.065 176.600 -0.738 0.000 0.960 249 E CA -0.770 55.087 56.400 -0.906 0.000 0.793 249 E CB 1.021 30.518 29.700 -0.338 0.000 1.225 249 E HN 0.855 nan 8.360 nan 0.000 0.420 250 H N 4.501 123.258 119.070 -0.522 0.000 2.467 250 H HA 0.583 5.139 4.556 -0.000 0.000 0.331 250 H C -0.913 174.346 175.328 -0.115 0.000 1.120 250 H CA -0.010 55.894 56.048 -0.239 0.000 1.270 250 H CB 1.041 30.735 29.762 -0.113 0.000 1.466 250 H HN 0.573 nan 8.280 nan 0.000 0.504 251 R N 3.185 123.265 120.500 -0.700 0.000 2.799 251 R HA 0.364 4.704 4.340 -0.000 0.000 0.270 251 R C -0.607 175.410 176.300 -0.472 0.000 1.010 251 R CA -1.036 54.837 56.100 -0.379 0.000 0.916 251 R CB 2.144 32.304 30.300 -0.232 0.000 1.228 251 R HN 0.462 nan 8.270 nan 0.000 0.469 252 L N 2.165 123.281 121.223 -0.178 0.000 2.397 252 L HA 0.105 4.445 4.340 -0.000 0.000 0.271 252 L C 1.693 178.488 176.870 -0.126 0.000 1.148 252 L CA -0.017 54.763 54.840 -0.099 0.000 0.825 252 L CB 0.642 42.686 42.059 -0.024 0.000 1.117 252 L HN 0.669 nan 8.230 nan 0.000 0.456 253 I N 1.890 122.400 120.570 -0.100 0.000 2.248 253 I HA -0.303 3.867 4.170 -0.000 0.000 0.248 253 I C 1.614 177.692 176.117 -0.064 0.000 1.107 253 I CA 1.885 63.135 61.300 -0.083 0.000 1.373 253 I CB -0.233 37.737 38.000 -0.049 0.000 1.055 253 I HN 0.724 nan 8.210 nan 0.000 0.418 254 D N 0.319 120.690 120.400 -0.049 0.000 2.097 254 D HA -0.198 4.442 4.640 -0.000 0.000 0.195 254 D C 1.845 178.113 176.300 -0.054 0.000 0.989 254 D CA 1.676 55.653 54.000 -0.039 0.000 0.827 254 D CB -0.424 40.359 40.800 -0.029 0.000 0.966 254 D HN 0.410 nan 8.370 nan 0.000 0.456 255 D N -0.172 120.185 120.400 -0.072 0.000 2.117 255 D HA -0.112 4.528 4.640 -0.000 0.000 0.198 255 D C 1.967 178.188 176.300 -0.131 0.000 0.982 255 D CA 0.671 54.616 54.000 -0.091 0.000 0.828 255 D CB -0.190 40.553 40.800 -0.095 0.000 0.967 255 D HN 0.113 nan 8.370 nan 0.000 0.464 256 M N 1.365 120.869 119.600 -0.159 0.000 2.065 256 M HA -0.169 4.311 4.480 -0.000 0.000 0.259 256 M C 2.268 178.485 176.300 -0.139 0.000 1.069 256 M CA 1.344 56.514 55.300 -0.216 0.000 1.110 256 M CB -0.591 31.887 32.600 -0.205 0.000 1.328 256 M HN -0.004 nan 8.290 nan 0.000 0.405 257 V N -1.257 118.617 119.914 -0.066 0.000 2.490 257 V HA -0.112 4.008 4.120 -0.000 0.000 0.250 257 V C 2.290 178.395 176.094 0.019 0.000 1.061 257 V CA 1.725 64.024 62.300 -0.001 0.000 1.064 257 V CB -2.390 29.439 31.823 0.010 0.000 0.670 257 V HN 0.507 nan 8.190 nan 0.000 0.461 258 A N -0.232 122.576 122.820 -0.019 0.000 1.897 258 A HA -0.158 4.162 4.320 -0.000 0.000 0.215 258 A C 2.260 179.838 177.584 -0.010 0.000 1.181 258 A CA 1.706 53.737 52.037 -0.011 0.000 0.620 258 A CB -0.559 18.423 19.000 -0.031 0.000 0.821 258 A HN 0.627 nan 8.150 nan 0.000 0.443 259 Q N -1.211 118.546 119.800 -0.071 0.000 2.119 259 Q HA -0.146 4.194 4.340 -0.000 0.000 0.201 259 Q C 2.158 178.149 176.000 -0.016 0.000 0.972 259 Q CA 1.476 57.218 55.803 -0.103 0.000 0.847 259 Q CB -0.257 28.323 28.738 -0.263 0.000 0.903 259 Q HN 0.813 nan 8.270 nan 0.000 0.433 260 M N 0.466 120.086 119.600 0.034 0.000 2.067 260 M HA -0.192 4.288 4.480 -0.000 0.000 0.260 260 M C 1.746 178.338 176.300 0.487 0.000 1.069 260 M CA 1.481 56.940 55.300 0.266 0.000 1.117 260 M CB 0.018 32.756 32.600 0.231 0.000 1.334 260 M HN 0.158 nan 8.290 nan 0.000 0.407 261 I N 0.714 121.509 120.570 0.376 0.000 2.454 261 I HA -0.257 3.913 4.170 -0.000 0.000 0.254 261 I C 2.279 178.502 176.117 0.177 0.000 1.156 261 I CA 1.435 62.924 61.300 0.316 0.000 1.433 261 I CB -1.311 36.756 38.000 0.111 0.000 1.082 261 I HN 0.473 nan 8.210 nan 0.000 0.432 262 K N 1.135 121.632 120.400 0.162 0.000 2.374 262 K HA 0.020 4.340 4.320 -0.000 0.000 0.196 262 K C 1.020 177.709 176.600 0.149 0.000 1.023 262 K CA 0.055 56.397 56.287 0.092 0.000 1.103 262 K CB 0.467 32.989 32.500 0.036 0.000 0.848 262 K HN 0.358 nan 8.250 nan 0.000 0.528 263 S N -0.075 115.795 115.700 0.283 0.000 2.671 263 S HA 0.242 4.712 4.470 -0.000 0.000 0.272 263 S C 0.567 175.395 174.600 0.380 0.000 1.174 263 S CA -0.569 57.810 58.200 0.298 0.000 1.004 263 S CB 1.152 64.573 63.200 0.369 0.000 1.077 263 S HN 0.119 nan 8.310 nan 0.000 0.553 264 K N 0.292 120.874 120.400 0.303 0.000 2.399 264 K HA 0.362 4.682 4.320 -0.000 0.000 0.204 264 K C 0.977 177.691 176.600 0.190 0.000 1.023 264 K CA 0.269 56.712 56.287 0.261 0.000 1.127 264 K CB -0.102 32.497 32.500 0.166 0.000 0.856 264 K HN 0.927 nan 8.250 nan 0.000 0.514 265 G N 0.793 109.661 108.800 0.113 0.000 2.642 265 G HA2 -0.125 3.834 3.960 -0.000 0.000 0.231 265 G HA3 -0.125 3.834 3.960 -0.000 0.000 0.231 265 G C 0.350 175.137 174.900 -0.188 0.000 1.338 265 G CA -0.302 44.615 45.100 -0.304 0.000 0.883 265 G HN 0.543 nan 8.290 nan 0.000 0.570 266 G N -2.380 106.202 108.800 -0.364 0.000 2.325 266 G HA2 0.436 4.396 3.960 -0.000 0.000 0.248 266 G HA3 0.436 4.396 3.960 -0.000 0.000 0.248 266 G C 0.106 175.033 174.900 0.045 0.000 1.108 266 G CA 0.958 45.994 45.100 -0.106 0.000 0.881 266 G HN 2.435 nan 8.290 nan 0.000 0.494 267 F N -2.574 117.410 119.950 0.058 0.000 2.817 267 F HA 0.801 5.328 4.527 -0.000 0.000 0.317 267 F C -0.713 175.146 175.800 0.098 0.000 1.168 267 F CA -2.448 55.625 58.000 0.122 0.000 0.911 267 F CB 0.823 40.003 39.000 0.299 0.000 1.337 267 F HN 0.067 nan 8.300 nan 0.000 0.464 268 I N 2.173 122.999 120.570 0.427 0.000 2.441 268 I HA 0.514 4.684 4.170 -0.000 0.000 0.295 268 I C -0.835 175.552 176.117 0.450 0.000 0.994 268 I CA -0.752 60.731 61.300 0.305 0.000 1.144 268 I CB 1.943 40.058 38.000 0.191 0.000 1.314 268 I HN 0.527 nan 8.210 nan 0.000 0.445 269 M N 5.494 125.309 119.600 0.358 0.000 2.078 269 M HA 0.491 4.971 4.480 -0.000 0.000 0.320 269 M C -0.370 176.079 176.300 0.248 0.000 0.969 269 M CA -0.461 55.026 55.300 0.313 0.000 0.929 269 M CB 1.764 34.519 32.600 0.258 0.000 1.504 269 M HN 0.674 nan 8.290 nan 0.000 0.419 270 A N 5.615 128.563 122.820 0.213 0.000 2.320 270 A HA 0.804 5.124 4.320 -0.000 0.000 0.287 270 A C -0.785 176.943 177.584 0.240 0.000 1.181 270 A CA -0.277 51.909 52.037 0.248 0.000 0.831 270 A CB 0.271 19.267 19.000 -0.007 0.000 1.102 270 A HN 0.889 nan 8.150 nan 0.000 0.513 271 L N 2.030 123.488 121.223 0.392 0.000 2.371 271 L HA 0.438 4.778 4.340 -0.000 0.000 0.262 271 L C 0.116 177.097 176.870 0.184 0.000 1.006 271 L CA -0.915 54.047 54.840 0.204 0.000 0.818 271 L CB 2.250 44.360 42.059 0.084 0.000 1.354 271 L HN 0.702 nan 8.230 nan 0.000 0.415 272 K N 0.769 121.197 120.400 0.046 0.000 2.230 272 K HA 0.042 4.362 4.320 -0.000 0.000 0.253 272 K C 0.771 177.368 176.600 -0.004 0.000 1.008 272 K CA -0.379 55.894 56.287 -0.024 0.000 0.910 272 K CB 0.346 32.745 32.500 -0.169 0.000 0.994 272 K HN 0.461 nan 8.250 nan 0.000 0.495 273 N N 1.140 119.839 118.700 -0.002 0.000 2.058 273 N HA -0.287 4.453 4.740 -0.000 0.000 0.200 273 N C 1.695 177.267 175.510 0.104 0.000 1.033 273 N CA 1.934 54.955 53.050 -0.048 0.000 0.880 273 N CB -0.425 38.036 38.487 -0.042 0.000 1.069 273 N HN 0.585 nan 8.380 nan 0.000 0.461 274 Y N 1.876 122.281 120.300 0.176 0.000 2.097 274 Y HA -0.189 4.361 4.550 -0.000 0.000 0.282 274 Y C 2.121 178.065 175.900 0.073 0.000 1.152 274 Y CA 2.058 60.273 58.100 0.191 0.000 1.136 274 Y CB -0.657 37.847 38.460 0.072 0.000 0.975 274 Y HN 0.162 nan 8.280 nan 0.000 0.498 275 D N -0.560 119.821 120.400 -0.032 0.000 2.144 275 D HA -0.154 4.486 4.640 -0.000 0.000 0.199 275 D C 2.336 178.563 176.300 -0.122 0.000 0.984 275 D CA 1.509 55.429 54.000 -0.133 0.000 0.834 275 D CB -0.784 40.000 40.800 -0.026 0.000 0.955 275 D HN 0.550 nan 8.370 nan 0.000 0.465 276 G N 0.760 109.519 108.800 -0.068 0.000 2.422 276 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.218 276 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.218 276 G C 1.468 176.315 174.900 -0.088 0.000 1.146 276 G CA 0.910 45.976 45.100 -0.057 0.000 0.769 276 G HN 0.168 nan 8.290 nan 0.000 0.547 277 D N 0.196 120.524 120.400 -0.119 0.000 2.084 277 D HA -0.103 4.537 4.640 -0.000 0.000 0.194 277 D C 2.732 178.958 176.300 -0.124 0.000 0.990 277 D CA 1.052 54.987 54.000 -0.108 0.000 0.826 277 D CB -0.336 40.438 40.800 -0.045 0.000 0.971 277 D HN 0.158 nan 8.370 nan 0.000 0.453 278 V N 0.829 120.605 119.914 -0.230 0.000 2.270 278 V HA -0.196 3.924 4.120 -0.000 0.000 0.245 278 V C 2.526 178.560 176.094 -0.100 0.000 1.043 278 V CA 1.462 63.638 62.300 -0.208 0.000 1.014 278 V CB -0.598 31.010 31.823 -0.357 0.000 0.645 278 V HN 0.237 nan 8.190 nan 0.000 0.447 279 Q N -0.265 119.484 119.800 -0.085 0.000 2.226 279 Q HA -0.147 4.193 4.340 -0.000 0.000 0.204 279 Q C 2.532 178.537 176.000 0.009 0.000 0.975 279 Q CA 1.727 57.520 55.803 -0.017 0.000 0.866 279 Q CB -0.764 27.970 28.738 -0.007 0.000 0.915 279 Q HN 0.645 nan 8.270 nan 0.000 0.440 280 S N 1.065 116.757 115.700 -0.013 0.000 2.359 280 S HA -0.166 4.304 4.470 -0.000 0.000 0.224 280 S C 1.258 175.872 174.600 0.024 0.000 1.035 280 S CA 1.508 59.707 58.200 -0.001 0.000 1.018 280 S CB -0.002 63.186 63.200 -0.019 0.000 0.876 280 S HN 0.251 nan 8.310 nan 0.000 0.448 281 D N 1.006 121.418 120.400 0.019 0.000 2.144 281 D HA 0.014 4.654 4.640 -0.000 0.000 0.200 281 D C 1.869 178.215 176.300 0.077 0.000 0.978 281 D CA 0.902 54.926 54.000 0.041 0.000 0.833 281 D CB -0.347 40.467 40.800 0.022 0.000 0.961 281 D HN 0.461 nan 8.370 nan 0.000 0.470 282 I N 0.160 120.780 120.570 0.084 0.000 2.179 282 I HA -0.224 3.946 4.170 -0.000 0.000 0.242 282 I C 2.313 178.586 176.117 0.260 0.000 1.088 282 I CA 0.647 62.031 61.300 0.140 0.000 1.357 282 I CB -0.104 37.975 38.000 0.132 0.000 1.051 282 I HN -0.098 nan 8.210 nan 0.000 0.409 283 V N 0.965 121.020 119.914 0.235 0.000 2.343 283 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 283 V C 2.673 178.997 176.094 0.382 0.000 1.051 283 V CA 1.950 64.432 62.300 0.303 0.000 1.036 283 V CB -0.951 30.899 31.823 0.045 0.000 0.654 283 V HN 0.487 nan 8.190 nan 0.000 0.451 284 A N -0.533 122.405 122.820 0.197 0.000 1.877 284 A HA -0.299 4.021 4.320 -0.000 0.000 0.216 284 A C 2.179 179.883 177.584 0.199 0.000 1.186 284 A CA 2.203 54.331 52.037 0.152 0.000 0.620 284 A CB -0.583 18.459 19.000 0.070 0.000 0.822 284 A HN 0.518 nan 8.150 nan 0.000 0.443 285 Q N -0.186 119.714 119.800 0.168 0.000 2.084 285 Q HA -0.033 4.307 4.340 -0.000 0.000 0.202 285 Q C 1.963 178.050 176.000 0.144 0.000 0.978 285 Q CA 2.081 57.958 55.803 0.124 0.000 0.844 285 Q CB -0.985 27.803 28.738 0.084 0.000 0.898 285 Q HN 0.524 nan 8.270 nan 0.000 0.426 286 G N -0.933 108.010 108.800 0.239 0.000 2.440 286 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 286 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 286 G C 1.005 175.991 174.900 0.144 0.000 1.154 286 G CA 0.749 45.937 45.100 0.145 0.000 0.767 286 G HN 0.414 nan 8.290 nan 0.000 0.552 287 F N 0.776 120.899 119.950 0.288 0.000 2.604 287 F HA 0.264 4.791 4.527 -0.000 0.000 0.298 287 F C 2.200 178.044 175.800 0.073 0.000 1.131 287 F CA 1.132 59.253 58.000 0.201 0.000 1.457 287 F CB 0.625 39.705 39.000 0.134 0.000 1.095 287 F HN 0.339 nan 8.300 nan 0.000 0.574 288 G N -1.746 107.159 108.800 0.175 0.000 3.876 288 G HA2 0.022 3.982 3.960 -0.000 0.000 0.203 288 G HA3 0.022 3.982 3.960 -0.000 0.000 0.203 288 G C -0.001 174.924 174.900 0.042 0.000 1.162 288 G CA 0.154 45.300 45.100 0.078 0.000 0.903 288 G HN 0.328 nan 8.290 nan 0.000 0.390 289 S N -0.901 114.827 115.700 0.046 0.000 2.542 289 S HA 0.534 5.004 4.470 -0.000 0.000 0.276 289 S C 0.751 175.354 174.600 0.005 0.000 1.148 289 S CA -0.222 57.980 58.200 0.004 0.000 0.886 289 S CB 0.969 64.135 63.200 -0.056 0.000 1.109 289 S HN 0.467 nan 8.310 nan 0.000 0.458 290 L N 3.129 124.370 121.223 0.029 0.000 2.201 290 L HA 0.106 4.446 4.340 -0.000 0.000 0.212 290 L C 2.516 179.399 176.870 0.021 0.000 1.105 290 L CA 1.534 56.413 54.840 0.065 0.000 0.775 290 L CB -0.554 41.583 42.059 0.129 0.000 0.913 290 L HN 0.898 nan 8.230 nan 0.000 0.440 291 G N -0.242 108.449 108.800 -0.182 0.000 2.679 291 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.212 291 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.212 291 G C 0.955 175.645 174.900 -0.348 0.000 1.137 291 G CA -0.022 44.687 45.100 -0.652 0.000 0.787 291 G HN 0.247 nan 8.290 nan 0.000 0.534 292 L N 0.596 121.695 121.223 -0.207 0.000 2.843 292 L HA 0.582 4.922 4.340 -0.000 0.000 0.234 292 L C -0.372 176.395 176.870 -0.170 0.000 1.264 292 L CA -0.371 54.344 54.840 -0.207 0.000 1.052 292 L CB 0.619 42.576 42.059 -0.169 0.000 1.372 292 L HN 0.077 nan 8.230 nan 0.000 0.466 293 M N 1.063 120.580 119.600 -0.139 0.000 2.421 293 M HA 0.451 4.931 4.480 -0.000 0.000 0.287 293 M C -0.237 176.031 176.300 -0.053 0.000 1.183 293 M CA -0.192 55.050 55.300 -0.098 0.000 0.916 293 M CB 2.384 34.959 32.600 -0.042 0.000 1.701 293 M HN 0.180 nan 8.290 nan 0.000 0.470 294 T N -0.203 114.333 114.554 -0.031 0.000 2.945 294 T HA 0.852 5.202 4.350 -0.000 0.000 0.286 294 T C -0.591 174.143 174.700 0.057 0.000 1.025 294 T CA -0.818 61.311 62.100 0.047 0.000 1.039 294 T CB 1.545 70.470 68.868 0.095 0.000 1.068 294 T HN 0.650 nan 8.240 nan 0.000 0.497 295 S N 1.129 116.878 115.700 0.083 0.000 2.750 295 S HA 0.559 5.029 4.470 -0.000 0.000 0.276 295 S C -1.331 173.326 174.600 0.096 0.000 1.165 295 S CA -0.867 57.378 58.200 0.074 0.000 1.047 295 S CB 0.155 63.379 63.200 0.039 0.000 1.056 295 S HN 0.840 nan 8.310 nan 0.000 0.481 296 I N 5.453 126.105 120.570 0.137 0.000 2.447 296 I HA 0.537 4.707 4.170 -0.000 0.000 0.287 296 I C -1.147 175.069 176.117 0.166 0.000 1.023 296 I CA -1.106 60.295 61.300 0.169 0.000 1.083 296 I CB 1.265 39.399 38.000 0.224 0.000 1.245 296 I HN 0.640 nan 8.210 nan 0.000 0.434 297 L N 9.177 130.463 121.223 0.105 0.000 2.331 297 L HA 0.587 4.927 4.340 -0.000 0.000 0.278 297 L C -1.119 175.800 176.870 0.081 0.000 1.106 297 L CA 0.245 55.109 54.840 0.041 0.000 0.824 297 L CB 1.314 43.367 42.059 -0.010 0.000 1.142 297 L HN 0.380 nan 8.230 nan 0.000 0.443 298 V N 3.067 123.002 119.914 0.035 0.000 2.876 298 V HA 0.619 4.739 4.120 -0.000 0.000 0.312 298 V C -0.045 175.995 176.094 -0.090 0.000 1.085 298 V CA -0.434 61.846 62.300 -0.034 0.000 0.945 298 V CB 2.261 34.203 31.823 0.199 0.000 1.017 298 V HN 0.903 nan 8.190 nan 0.000 0.428 299 T N 0.889 115.320 114.554 -0.204 0.000 2.929 299 T HA 0.437 4.787 4.350 -0.000 0.000 0.284 299 T C -1.493 173.162 174.700 -0.076 0.000 1.014 299 T CA -1.923 60.105 62.100 -0.121 0.000 1.051 299 T CB 1.852 70.632 68.868 -0.147 0.000 1.028 299 T HN 0.521 nan 8.240 nan 0.000 0.485 300 P HA -0.157 nan 4.420 nan 0.000 0.218 300 P C 0.797 178.086 177.300 -0.019 0.000 1.148 300 P CA 1.428 64.544 63.100 0.026 0.000 0.822 300 P CB -0.100 31.627 31.700 0.045 0.000 0.784 301 D N -0.770 119.597 120.400 -0.056 0.000 2.350 301 D HA -0.008 4.632 4.640 -0.000 0.000 0.216 301 D C 1.526 177.801 176.300 -0.042 0.000 0.968 301 D CA 1.077 55.042 54.000 -0.058 0.000 0.894 301 D CB -1.298 39.465 40.800 -0.062 0.000 0.909 301 D HN 0.296 nan 8.370 nan 0.000 0.520 302 G N 0.854 109.610 108.800 -0.073 0.000 2.153 302 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.252 302 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.252 302 G C 0.792 175.663 174.900 -0.048 0.000 0.994 302 G CA 0.666 45.741 45.100 -0.042 0.000 0.698 302 G HN 0.639 nan 8.290 nan 0.000 0.521 303 K N -0.950 119.358 120.400 -0.153 0.000 2.402 303 K HA 0.266 4.586 4.320 -0.000 0.000 0.204 303 K C 0.008 176.537 176.600 -0.118 0.000 1.056 303 K CA 0.375 56.643 56.287 -0.031 0.000 1.069 303 K CB 0.787 33.292 32.500 0.009 0.000 0.888 303 K HN 0.228 nan 8.250 nan 0.000 0.546 304 T N 1.512 115.790 114.554 -0.459 0.000 2.848 304 T HA 0.592 4.942 4.350 -0.000 0.000 0.285 304 T C -1.298 173.007 174.700 -0.659 0.000 0.995 304 T CA -0.453 61.446 62.100 -0.336 0.000 0.970 304 T CB 0.739 69.499 68.868 -0.179 0.000 0.976 304 T HN 0.054 nan 8.240 nan 0.000 0.441 305 F N 1.024 121.001 119.950 0.045 0.000 2.588 305 F HA 0.556 5.083 4.527 -0.000 0.000 0.310 305 F C 0.251 176.068 175.800 0.029 0.000 1.082 305 F CA -0.951 57.078 58.000 0.048 0.000 0.929 305 F CB 2.063 41.099 39.000 0.060 0.000 1.254 305 F HN 0.400 nan 8.300 nan 0.000 0.455 306 E N 1.665 121.981 120.200 0.195 0.000 2.279 306 E HA 0.244 4.594 4.350 -0.000 0.000 0.252 306 E C -1.551 175.107 176.600 0.097 0.000 0.894 306 E CA -0.246 56.212 56.400 0.098 0.000 0.785 306 E CB 1.794 31.510 29.700 0.027 0.000 1.237 306 E HN 0.532 nan 8.360 nan 0.000 0.418 307 S N 4.362 120.110 115.700 0.080 0.000 2.410 307 S HA 0.194 4.664 4.470 -0.000 0.000 0.304 307 S C -0.470 174.157 174.600 0.045 0.000 1.095 307 S CA -0.548 57.696 58.200 0.073 0.000 1.089 307 S CB 0.375 63.611 63.200 0.060 0.000 0.968 307 S HN 0.543 nan 8.310 nan 0.000 0.480 308 E N 3.138 123.366 120.200 0.048 0.000 2.263 308 E HA 0.742 5.092 4.350 -0.000 0.000 0.264 308 E C -0.841 175.802 176.600 0.072 0.000 0.923 308 E CA -1.381 55.034 56.400 0.024 0.000 0.802 308 E CB 1.553 31.237 29.700 -0.026 0.000 1.228 308 E HN 0.485 nan 8.360 nan 0.000 0.417 309 A N 1.329 124.196 122.820 0.078 0.000 2.309 309 A HA 0.518 4.838 4.320 -0.000 0.000 0.290 309 A C 0.759 178.389 177.584 0.076 0.000 1.206 309 A CA 0.138 52.255 52.037 0.133 0.000 0.850 309 A CB 0.631 19.750 19.000 0.199 0.000 1.118 309 A HN 0.805 nan 8.150 nan 0.000 0.523 310 A N 2.105 124.978 122.820 0.089 0.000 1.854 310 A HA -0.010 4.310 4.320 -0.000 0.000 0.214 310 A C 1.276 178.916 177.584 0.092 0.000 1.192 310 A CA 1.110 53.186 52.037 0.065 0.000 0.611 310 A CB -0.923 18.111 19.000 0.058 0.000 0.832 310 A HN 0.967 nan 8.150 nan 0.000 0.442 311 H N 1.312 120.392 119.070 0.016 0.000 3.327 311 H HA 0.281 4.837 4.556 -0.000 0.000 0.229 311 H C 1.038 176.375 175.328 0.015 0.000 0.895 311 H CA -0.144 55.913 56.048 0.016 0.000 1.380 311 H CB -0.784 28.991 29.762 0.021 0.000 1.545 311 H HN 0.363 nan 8.280 nan 0.000 0.509 312 G N 3.821 112.523 108.800 -0.165 0.000 2.630 312 G HA2 0.089 4.049 3.960 -0.000 0.000 0.236 312 G HA3 0.089 4.049 3.960 -0.000 0.000 0.236 312 G C 0.073 174.842 174.900 -0.218 0.000 1.248 312 G CA -0.099 44.905 45.100 -0.160 0.000 0.844 312 G HN 0.665 nan 8.290 nan 0.000 0.588 313 T N -0.715 113.761 114.554 -0.130 0.000 2.913 313 T HA 0.379 4.729 4.350 -0.000 0.000 0.297 313 T C 0.015 174.677 174.700 -0.064 0.000 1.029 313 T CA -0.454 61.592 62.100 -0.089 0.000 1.104 313 T CB 0.617 69.429 68.868 -0.094 0.000 0.964 313 T HN 0.316 nan 8.240 nan 0.000 0.532 314 V N 5.706 125.632 119.914 0.020 0.000 2.384 314 V HA 0.239 4.359 4.120 -0.000 0.000 0.287 314 V C 1.460 177.585 176.094 0.053 0.000 1.020 314 V CA -0.577 61.734 62.300 0.018 0.000 0.850 314 V CB 1.323 33.160 31.823 0.022 0.000 0.987 314 V HN 1.103 nan 8.190 nan 0.000 0.436 315 T N 3.618 118.193 114.554 0.035 0.000 2.849 315 T HA -0.136 4.214 4.350 -0.000 0.000 0.270 315 T C 2.128 176.897 174.700 0.116 0.000 1.066 315 T CA 1.155 63.326 62.100 0.119 0.000 1.130 315 T CB -0.174 68.752 68.868 0.097 0.000 0.864 315 T HN 0.539 nan 8.240 nan 0.000 0.481 316 R N 1.083 121.569 120.500 -0.024 0.000 2.122 316 R HA -0.131 4.209 4.340 -0.000 0.000 0.236 316 R C 2.229 178.505 176.300 -0.039 0.000 1.129 316 R CA 1.686 57.725 56.100 -0.101 0.000 0.925 316 R CB -1.181 28.946 30.300 -0.287 0.000 0.850 316 R HN 0.567 nan 8.270 nan 0.000 0.431 317 H N -0.829 118.310 119.070 0.116 0.000 2.387 317 H HA -0.164 4.392 4.556 -0.000 0.000 0.299 317 H C 2.004 177.467 175.328 0.225 0.000 1.099 317 H CA 1.490 57.623 56.048 0.142 0.000 1.315 317 H CB -0.686 29.145 29.762 0.116 0.000 1.380 317 H HN 0.389 nan 8.280 nan 0.000 0.513 318 Y N 1.941 122.360 120.300 0.198 0.000 2.089 318 Y HA -0.231 4.319 4.550 -0.000 0.000 0.282 318 Y C 2.817 178.852 175.900 0.224 0.000 1.139 318 Y CA 1.357 59.571 58.100 0.191 0.000 1.123 318 Y CB 0.031 38.569 38.460 0.129 0.000 0.980 318 Y HN -0.024 nan 8.280 nan 0.000 0.493 319 R N 0.303 120.853 120.500 0.085 0.000 2.105 319 R HA -0.215 4.125 4.340 -0.000 0.000 0.239 319 R C 2.320 178.616 176.300 -0.007 0.000 1.135 319 R CA 1.790 57.872 56.100 -0.029 0.000 0.967 319 R CB -0.293 30.033 30.300 0.044 0.000 0.861 319 R HN 0.322 nan 8.270 nan 0.000 0.442 320 K N -0.015 120.428 120.400 0.072 0.000 2.057 320 K HA -0.203 4.117 4.320 -0.000 0.000 0.206 320 K C 1.997 178.649 176.600 0.086 0.000 1.050 320 K CA 1.300 57.636 56.287 0.082 0.000 0.935 320 K CB -0.178 32.400 32.500 0.130 0.000 0.715 320 K HN 0.117 nan 8.250 nan 0.000 0.439 321 Y N 1.783 122.090 120.300 0.011 0.000 2.145 321 Y HA -0.254 4.296 4.550 -0.000 0.000 0.286 321 Y C 2.062 177.922 175.900 -0.067 0.000 1.145 321 Y CA 1.858 59.963 58.100 0.009 0.000 1.148 321 Y CB -0.118 38.386 38.460 0.072 0.000 0.981 321 Y HN 0.173 nan 8.280 nan 0.000 0.507 322 Q N 0.341 120.065 119.800 -0.127 0.000 2.030 322 Q HA -0.227 4.113 4.340 -0.000 0.000 0.204 322 Q C 2.163 178.056 176.000 -0.178 0.000 0.986 322 Q CA 2.080 57.754 55.803 -0.215 0.000 0.843 322 Q CB -0.285 28.297 28.738 -0.259 0.000 0.904 322 Q HN 0.470 nan 8.270 nan 0.000 0.420 323 K N -0.878 119.451 120.400 -0.118 0.000 2.152 323 K HA -0.136 4.184 4.320 -0.000 0.000 0.206 323 K C 1.382 177.926 176.600 -0.094 0.000 1.048 323 K CA 1.088 57.326 56.287 -0.082 0.000 0.933 323 K CB -0.005 32.469 32.500 -0.043 0.000 0.721 323 K HN 0.474 nan 8.250 nan 0.000 0.447 324 G N 0.457 109.181 108.800 -0.128 0.000 2.480 324 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.193 324 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.193 324 G C -0.318 174.537 174.900 -0.074 0.000 1.004 324 G CA -0.414 44.609 45.100 -0.127 0.000 0.696 324 G HN 0.286 nan 8.290 nan 0.000 0.478 325 E N 1.449 121.632 120.200 -0.028 0.000 2.425 325 E HA 0.398 4.748 4.350 -0.000 0.000 0.258 325 E C 0.682 177.313 176.600 0.051 0.000 1.151 325 E CA 0.353 56.764 56.400 0.019 0.000 0.958 325 E CB 0.420 30.144 29.700 0.040 0.000 0.968 325 E HN 0.692 nan 8.360 nan 0.000 0.451 326 E N 0.236 120.485 120.200 0.081 0.000 2.349 326 E HA 0.273 4.623 4.350 -0.000 0.000 0.262 326 E C -0.616 176.079 176.600 0.159 0.000 1.088 326 E CA -0.673 55.798 56.400 0.120 0.000 0.899 326 E CB 1.121 30.890 29.700 0.114 0.000 1.044 326 E HN 0.464 nan 8.360 nan 0.000 0.420 327 T N -1.441 113.221 114.554 0.180 0.000 2.916 327 T HA 0.450 4.800 4.350 -0.000 0.000 0.292 327 T C -0.342 174.415 174.700 0.094 0.000 1.064 327 T CA -1.042 61.157 62.100 0.165 0.000 1.011 327 T CB 1.677 70.663 68.868 0.196 0.000 1.152 327 T HN 0.336 nan 8.240 nan 0.000 0.510 328 S N 1.016 116.703 115.700 -0.022 0.000 2.235 328 S HA 0.439 4.909 4.470 -0.000 0.000 0.152 328 S C -0.534 173.908 174.600 -0.265 0.000 1.649 328 S CA -0.565 57.573 58.200 -0.104 0.000 1.277 328 S CB -0.398 62.675 63.200 -0.212 0.000 1.299 328 S HN 0.838 nan 8.310 nan 0.000 0.388 329 T N 3.136 117.530 114.554 -0.267 0.000 2.845 329 T HA 0.331 4.681 4.350 -0.000 0.000 0.288 329 T C 0.114 174.720 174.700 -0.156 0.000 0.980 329 T CA -0.525 61.380 62.100 -0.324 0.000 1.071 329 T CB 0.785 69.475 68.868 -0.298 0.000 0.941 329 T HN 0.488 nan 8.240 nan 0.000 0.487 330 N N 1.302 119.916 118.700 -0.143 0.000 2.520 330 N HA 0.088 4.828 4.740 -0.000 0.000 0.273 330 N C 0.849 176.347 175.510 -0.020 0.000 1.155 330 N CA -0.233 52.704 53.050 -0.188 0.000 0.967 330 N CB 0.858 39.185 38.487 -0.266 0.000 1.092 330 N HN 0.637 nan 8.380 nan 0.000 0.457 331 S N 2.406 118.134 115.700 0.047 0.000 2.559 331 S HA 0.194 4.664 4.470 -0.000 0.000 0.226 331 S C 1.832 176.578 174.600 0.244 0.000 1.000 331 S CA -0.416 57.906 58.200 0.203 0.000 0.948 331 S CB -0.245 63.126 63.200 0.284 0.000 0.870 331 S HN 0.587 nan 8.310 nan 0.000 0.497 332 I N 2.292 122.966 120.570 0.175 0.000 2.248 332 I HA -0.231 3.939 4.170 -0.000 0.000 0.248 332 I C 2.977 179.211 176.117 0.194 0.000 1.107 332 I CA 1.499 62.922 61.300 0.204 0.000 1.373 332 I CB -0.552 37.461 38.000 0.021 0.000 1.055 332 I HN 0.479 nan 8.210 nan 0.000 0.418 333 A N 0.031 122.910 122.820 0.098 0.000 1.898 333 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 333 A C 2.496 180.254 177.584 0.289 0.000 1.181 333 A CA 2.085 54.203 52.037 0.135 0.000 0.620 333 A CB -0.650 18.416 19.000 0.110 0.000 0.819 333 A HN 0.380 nan 8.150 nan 0.000 0.442 334 S N -0.169 115.733 115.700 0.338 0.000 2.368 334 S HA -0.074 4.396 4.470 -0.000 0.000 0.224 334 S C 1.796 176.682 174.600 0.476 0.000 1.029 334 S CA 1.346 59.832 58.200 0.477 0.000 0.988 334 S CB -0.459 63.055 63.200 0.523 0.000 0.838 334 S HN 0.538 nan 8.310 nan 0.000 0.462 335 I N 0.259 121.060 120.570 0.384 0.000 2.226 335 I HA -0.176 3.994 4.170 -0.000 0.000 0.245 335 I C 1.783 178.083 176.117 0.305 0.000 1.100 335 I CA 1.315 62.795 61.300 0.301 0.000 1.374 335 I CB -0.329 37.816 38.000 0.243 0.000 1.057 335 I HN 0.210 nan 8.210 nan 0.000 0.413 336 F N 0.923 120.961 119.950 0.147 0.000 2.407 336 F HA -0.077 4.450 4.527 -0.000 0.000 0.299 336 F C 2.510 178.384 175.800 0.124 0.000 1.097 336 F CA 0.941 59.003 58.000 0.105 0.000 1.422 336 F CB -0.724 38.315 39.000 0.065 0.000 1.067 336 F HN -0.012 nan 8.300 nan 0.000 0.539 337 A N -0.756 122.260 122.820 0.326 0.000 1.902 337 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 337 A C 2.006 179.643 177.584 0.087 0.000 1.181 337 A CA 1.530 53.691 52.037 0.207 0.000 0.623 337 A CB -1.308 17.859 19.000 0.280 0.000 0.818 337 A HN 0.497 nan 8.150 nan 0.000 0.443 338 W N 0.490 121.817 121.300 0.045 0.000 2.378 338 W HA -0.100 4.560 4.660 -0.000 0.000 0.313 338 W C 2.894 179.393 176.519 -0.034 0.000 1.197 338 W CA 1.615 58.938 57.345 -0.035 0.000 1.304 338 W CB -0.643 28.730 29.460 -0.145 0.000 1.148 338 W HN 0.262 nan 8.180 nan 0.000 0.494 339 S N 0.386 116.164 115.700 0.130 0.000 2.359 339 S HA -0.238 4.232 4.470 -0.000 0.000 0.223 339 S C 1.859 176.440 174.600 -0.031 0.000 1.039 339 S CA 1.531 59.699 58.200 -0.054 0.000 1.042 339 S CB -0.461 62.531 63.200 -0.347 0.000 0.915 339 S HN 0.157 nan 8.310 nan 0.000 0.439 340 R N 0.967 121.461 120.500 -0.009 0.000 2.081 340 R HA 0.020 4.360 4.340 -0.000 0.000 0.235 340 R C 2.594 178.885 176.300 -0.015 0.000 1.131 340 R CA 1.346 57.444 56.100 -0.003 0.000 0.960 340 R CB -1.593 28.739 30.300 0.054 0.000 0.856 340 R HN 0.528 nan 8.270 nan 0.000 0.436 341 G N 1.233 110.042 108.800 0.015 0.000 2.421 341 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.216 341 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.216 341 G C 1.627 176.533 174.900 0.011 0.000 1.171 341 G CA 0.344 45.446 45.100 0.003 0.000 0.775 341 G HN 0.198 nan 8.290 nan 0.000 0.543 342 L N -0.134 121.129 121.223 0.066 0.000 2.131 342 L HA 0.025 4.365 4.340 -0.000 0.000 0.210 342 L C 2.869 179.758 176.870 0.032 0.000 1.092 342 L CA 0.321 55.217 54.840 0.093 0.000 0.759 342 L CB -0.326 41.847 42.059 0.189 0.000 0.903 342 L HN 0.181 nan 8.230 nan 0.000 0.435 343 L N -0.439 120.777 121.223 -0.013 0.000 2.046 343 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 343 L C 2.769 179.570 176.870 -0.115 0.000 1.077 343 L CA 1.187 55.994 54.840 -0.055 0.000 0.747 343 L CB -0.336 41.677 42.059 -0.077 0.000 0.896 343 L HN 0.222 nan 8.230 nan 0.000 0.432 344 K N -0.304 119.974 120.400 -0.202 0.000 2.057 344 K HA -0.190 4.130 4.320 -0.000 0.000 0.206 344 K C 2.103 178.581 176.600 -0.204 0.000 1.050 344 K CA 1.065 57.116 56.287 -0.393 0.000 0.935 344 K CB -0.405 31.634 32.500 -0.769 0.000 0.715 344 K HN 0.084 nan 8.250 nan 0.000 0.439 345 R N 0.879 121.330 120.500 -0.082 0.000 2.083 345 R HA -0.102 4.238 4.340 -0.000 0.000 0.237 345 R C 2.261 178.565 176.300 0.007 0.000 1.137 345 R CA 2.085 58.188 56.100 0.005 0.000 0.951 345 R CB -1.170 29.156 30.300 0.042 0.000 0.851 345 R HN 0.297 nan 8.270 nan 0.000 0.434 346 G N -0.081 108.718 108.800 -0.001 0.000 2.440 346 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.218 346 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.218 346 G C 1.258 176.157 174.900 -0.003 0.000 1.154 346 G CA 0.930 46.035 45.100 0.008 0.000 0.767 346 G HN 0.487 nan 8.290 nan 0.000 0.552 347 E N -0.028 120.152 120.200 -0.033 0.000 2.051 347 E HA -0.039 4.311 4.350 -0.000 0.000 0.192 347 E C 2.596 179.200 176.600 0.005 0.000 0.991 347 E CA 0.619 57.003 56.400 -0.028 0.000 0.799 347 E CB -0.203 29.455 29.700 -0.071 0.000 0.748 347 E HN 0.384 nan 8.360 nan 0.000 0.449 348 L N 1.011 122.243 121.223 0.014 0.000 2.083 348 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 348 L C 1.467 178.370 176.870 0.055 0.000 1.083 348 L CA 0.850 55.729 54.840 0.065 0.000 0.752 348 L CB -0.184 41.939 42.059 0.107 0.000 0.899 348 L HN 0.079 nan 8.230 nan 0.000 0.433 349 D N -0.806 119.619 120.400 0.042 0.000 2.350 349 D HA -0.042 4.598 4.640 -0.000 0.000 0.213 349 D C 0.417 176.735 176.300 0.029 0.000 1.031 349 D CA 0.185 54.209 54.000 0.039 0.000 0.861 349 D CB -0.201 40.622 40.800 0.039 0.000 0.926 349 D HN 0.198 nan 8.370 nan 0.000 0.520 350 N N 0.585 119.300 118.700 0.024 0.000 2.727 350 N HA -0.168 4.572 4.740 -0.000 0.000 0.251 350 N C -1.301 174.219 175.510 0.017 0.000 1.040 350 N CA 0.645 53.706 53.050 0.019 0.000 0.712 350 N CB -1.559 36.939 38.487 0.019 0.000 0.912 350 N HN -0.102 nan 8.380 nan 0.000 0.545 351 T N 1.238 115.803 114.554 0.018 0.000 3.253 351 T HA 0.270 4.620 4.350 -0.000 0.000 0.391 351 T C -1.322 173.391 174.700 0.023 0.000 1.527 351 T CA -0.805 61.306 62.100 0.019 0.000 1.268 351 T CB 1.527 70.407 68.868 0.021 0.000 1.126 351 T HN 0.156 nan 8.240 nan 0.000 0.620 352 P HA -0.231 nan 4.420 nan 0.000 0.217 352 P C 1.579 178.901 177.300 0.036 0.000 1.151 352 P CA 1.115 64.228 63.100 0.022 0.000 0.849 352 P CB 0.213 31.923 31.700 0.016 0.000 0.787 353 A N -0.032 122.813 122.820 0.041 0.000 1.933 353 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 353 A C 2.445 180.091 177.584 0.104 0.000 1.175 353 A CA 1.175 53.252 52.037 0.065 0.000 0.628 353 A CB -1.525 17.504 19.000 0.048 0.000 0.814 353 A HN 0.177 nan 8.150 nan 0.000 0.444 354 L N -0.537 120.736 121.223 0.084 0.000 2.027 354 L HA -0.215 4.125 4.340 -0.000 0.000 0.206 354 L C 2.596 179.551 176.870 0.141 0.000 1.074 354 L CA 1.845 56.756 54.840 0.118 0.000 0.745 354 L CB -0.462 41.641 42.059 0.073 0.000 0.898 354 L HN 0.536 nan 8.230 nan 0.000 0.433 355 C N -0.269 119.074 119.300 0.071 0.000 2.413 355 C HA -0.213 4.247 4.460 -0.000 0.000 0.276 355 C C 2.760 177.765 174.990 0.025 0.000 1.248 355 C CA 1.095 60.133 59.018 0.033 0.000 1.742 355 C CB -0.897 26.846 27.740 0.006 0.000 2.017 355 C HN 0.479 nan 8.230 nan 0.000 0.481 356 K N 0.011 120.439 120.400 0.047 0.000 2.097 356 K HA -0.188 4.132 4.320 -0.000 0.000 0.206 356 K C 1.911 178.523 176.600 0.020 0.000 1.049 356 K CA 1.512 57.815 56.287 0.027 0.000 0.933 356 K CB -0.360 32.170 32.500 0.049 0.000 0.717 356 K HN 0.500 nan 8.250 nan 0.000 0.442 357 F N 1.124 121.049 119.950 -0.040 0.000 2.146 357 F HA -0.083 4.444 4.527 -0.000 0.000 0.298 357 F C 1.967 177.700 175.800 -0.112 0.000 1.096 357 F CA 1.388 59.345 58.000 -0.072 0.000 1.275 357 F CB -0.496 38.487 39.000 -0.027 0.000 1.008 357 F HN 0.062 nan 8.300 nan 0.000 0.480 358 A N 0.777 123.520 122.820 -0.127 0.000 1.908 358 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 358 A C 2.115 179.489 177.584 -0.349 0.000 1.181 358 A CA 1.989 53.881 52.037 -0.242 0.000 0.627 358 A CB -0.999 17.966 19.000 -0.059 0.000 0.818 358 A HN 0.544 nan 8.150 nan 0.000 0.445 359 N N 0.244 118.798 118.700 -0.243 0.000 2.142 359 N HA -0.158 4.582 4.740 -0.000 0.000 0.186 359 N C 1.725 177.073 175.510 -0.269 0.000 1.023 359 N CA 1.880 54.797 53.050 -0.221 0.000 0.852 359 N CB -0.576 37.833 38.487 -0.130 0.000 0.998 359 N HN 0.726 nan 8.380 nan 0.000 0.424 360 I N -0.672 119.715 120.570 -0.305 0.000 2.493 360 I HA -0.077 4.093 4.170 -0.000 0.000 0.254 360 I C 2.038 177.907 176.117 -0.413 0.000 1.160 360 I CA 1.063 62.178 61.300 -0.308 0.000 1.445 360 I CB -0.652 37.178 38.000 -0.284 0.000 1.086 360 I HN 0.021 nan 8.210 nan 0.000 0.433 361 L N 0.425 121.282 121.223 -0.609 0.000 2.083 361 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 361 L C 2.493 179.103 176.870 -0.433 0.000 1.083 361 L CA 1.759 56.226 54.840 -0.621 0.000 0.752 361 L CB -0.245 41.345 42.059 -0.783 0.000 0.899 361 L HN 0.381 nan 8.230 nan 0.000 0.433 362 E N -0.871 119.055 120.200 -0.457 0.000 2.072 362 E HA -0.144 4.206 4.350 -0.000 0.000 0.190 362 E C 2.193 178.719 176.600 -0.123 0.000 0.982 362 E CA 1.215 57.346 56.400 -0.448 0.000 0.803 362 E CB 0.103 29.443 29.700 -0.600 0.000 0.755 362 E HN 0.431 nan 8.360 nan 0.000 0.453 363 S N 0.985 116.600 115.700 -0.142 0.000 2.356 363 S HA -0.184 4.286 4.470 -0.000 0.000 0.223 363 S C 2.158 176.718 174.600 -0.067 0.000 1.032 363 S CA 1.094 59.250 58.200 -0.073 0.000 1.005 363 S CB -0.212 62.930 63.200 -0.097 0.000 0.867 363 S HN 0.372 nan 8.310 nan 0.000 0.449 364 A N 1.217 123.958 122.820 -0.131 0.000 1.933 364 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 364 A C 2.316 179.846 177.584 -0.089 0.000 1.175 364 A CA 1.965 53.924 52.037 -0.130 0.000 0.628 364 A CB -1.209 17.669 19.000 -0.203 0.000 0.814 364 A HN 0.483 nan 8.150 nan 0.000 0.444 365 T N 0.448 114.968 114.554 -0.056 0.000 2.737 365 T HA -0.039 4.311 4.350 -0.000 0.000 0.265 365 T C 1.823 176.619 174.700 0.159 0.000 1.038 365 T CA 1.416 63.546 62.100 0.050 0.000 1.144 365 T CB -0.334 68.639 68.868 0.175 0.000 0.866 365 T HN 0.366 nan 8.240 nan 0.000 0.434 366 L N 1.123 122.446 121.223 0.167 0.000 2.056 366 L HA -0.049 4.291 4.340 -0.000 0.000 0.207 366 L C 2.519 179.448 176.870 0.097 0.000 1.078 366 L CA 0.903 55.835 54.840 0.152 0.000 0.749 366 L CB -0.622 41.527 42.059 0.150 0.000 0.901 366 L HN 0.211 nan 8.230 nan 0.000 0.433 367 N N -0.385 118.348 118.700 0.054 0.000 2.289 367 N HA -0.131 4.609 4.740 -0.000 0.000 0.184 367 N C 1.766 177.301 175.510 0.041 0.000 1.016 367 N CA 1.510 54.580 53.050 0.033 0.000 0.872 367 N CB -0.312 38.175 38.487 0.001 0.000 0.973 367 N HN 0.291 nan 8.380 nan 0.000 0.433 368 T N 0.461 115.043 114.554 0.046 0.000 2.803 368 T HA -0.043 4.307 4.350 -0.000 0.000 0.269 368 T C 2.065 176.851 174.700 0.143 0.000 1.052 368 T CA 0.819 62.951 62.100 0.053 0.000 1.136 368 T CB 0.059 68.906 68.868 -0.034 0.000 0.864 368 T HN 0.018 nan 8.240 nan 0.000 0.467 369 V N 0.479 120.500 119.914 0.178 0.000 2.436 369 V HA -0.012 4.108 4.120 -0.000 0.000 0.240 369 V C 2.468 178.613 176.094 0.085 0.000 1.040 369 V CA 1.058 63.450 62.300 0.153 0.000 1.052 369 V CB -0.514 31.389 31.823 0.134 0.000 0.707 369 V HN 0.252 nan 8.190 nan 0.000 0.469 370 Q N 0.508 120.350 119.800 0.070 0.000 2.020 370 Q HA -0.235 4.105 4.340 -0.000 0.000 0.202 370 Q C 2.224 178.247 176.000 0.038 0.000 0.982 370 Q CA 2.368 58.199 55.803 0.047 0.000 0.838 370 Q CB -0.240 28.524 28.738 0.043 0.000 0.899 370 Q HN 0.673 nan 8.270 nan 0.000 0.423 371 Q N -1.174 118.647 119.800 0.036 0.000 2.226 371 Q HA -0.040 4.300 4.340 -0.000 0.000 0.199 371 Q C 0.626 176.641 176.000 0.025 0.000 0.945 371 Q CA 1.109 56.926 55.803 0.025 0.000 0.861 371 Q CB 0.403 29.150 28.738 0.015 0.000 0.953 371 Q HN 0.411 nan 8.270 nan 0.000 0.490 372 D N -0.936 119.483 120.400 0.033 0.000 2.339 372 D HA 0.108 4.748 4.640 -0.000 0.000 0.217 372 D C 0.750 177.079 176.300 0.048 0.000 1.050 372 D CA 0.845 54.865 54.000 0.033 0.000 0.856 372 D CB 0.639 41.454 40.800 0.026 0.000 0.922 372 D HN 0.472 nan 8.370 nan 0.000 0.518 373 G N 1.668 110.503 108.800 0.058 0.000 2.187 373 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.261 373 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.261 373 G C 0.321 175.274 174.900 0.089 0.000 1.000 373 G CA 0.036 45.174 45.100 0.063 0.000 0.718 373 G HN 0.389 nan 8.290 nan 0.000 0.519 374 I N 1.044 121.689 120.570 0.125 0.000 2.325 374 I HA 0.623 4.793 4.170 -0.000 0.000 0.291 374 I C 0.762 177.046 176.117 0.279 0.000 1.019 374 I CA -0.296 61.114 61.300 0.184 0.000 1.302 374 I CB 0.880 38.985 38.000 0.175 0.000 1.401 374 I HN 0.392 nan 8.210 nan 0.000 0.485 375 M N 3.842 123.559 119.600 0.196 0.000 2.721 375 M HA 0.557 5.037 4.480 -0.000 0.000 0.271 375 M C -0.664 175.610 176.300 -0.043 0.000 1.259 375 M CA -0.846 54.457 55.300 0.005 0.000 0.835 375 M CB 2.094 34.676 32.600 -0.029 0.000 1.689 375 M HN 0.387 nan 8.290 nan 0.000 0.470 376 T N -2.000 112.389 114.554 -0.276 0.000 2.824 376 T HA 0.349 4.699 4.350 -0.000 0.000 0.277 376 T C 0.801 175.368 174.700 -0.221 0.000 0.975 376 T CA -0.598 61.375 62.100 -0.211 0.000 0.966 376 T CB 1.715 70.384 68.868 -0.332 0.000 1.054 376 T HN 0.899 nan 8.240 nan 0.000 0.533 377 K N 0.906 121.013 120.400 -0.488 0.000 2.000 377 K HA -0.269 4.051 4.320 -0.000 0.000 0.218 377 K C 2.001 178.432 176.600 -0.281 0.000 1.053 377 K CA 2.485 58.346 56.287 -0.710 0.000 0.946 377 K CB -0.676 31.305 32.500 -0.865 0.000 0.723 377 K HN 0.857 nan 8.250 nan 0.000 0.446 378 D N 1.020 121.295 120.400 -0.209 0.000 2.230 378 D HA -0.281 4.359 4.640 -0.000 0.000 0.189 378 D C 2.065 178.308 176.300 -0.095 0.000 1.006 378 D CA 1.896 55.829 54.000 -0.112 0.000 0.853 378 D CB -0.908 39.835 40.800 -0.095 0.000 0.959 378 D HN 0.368 nan 8.370 nan 0.000 0.449 379 L N 0.547 121.698 121.223 -0.121 0.000 2.265 379 L HA -0.066 4.274 4.340 -0.000 0.000 0.215 379 L C 2.942 179.790 176.870 -0.037 0.000 1.117 379 L CA 0.852 55.641 54.840 -0.086 0.000 0.782 379 L CB -0.499 41.490 42.059 -0.117 0.000 0.914 379 L HN 0.126 nan 8.230 nan 0.000 0.441 380 A N 0.615 123.424 122.820 -0.018 0.000 1.873 380 A HA -0.141 4.179 4.320 -0.000 0.000 0.215 380 A C 2.230 179.839 177.584 0.041 0.000 1.186 380 A CA 1.232 53.301 52.037 0.053 0.000 0.616 380 A CB -0.596 18.506 19.000 0.170 0.000 0.823 380 A HN 0.341 nan 8.150 nan 0.000 0.442 381 L N -0.679 120.555 121.223 0.019 0.000 2.083 381 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 381 L C 3.048 179.922 176.870 0.007 0.000 1.083 381 L CA 1.040 55.891 54.840 0.018 0.000 0.752 381 L CB -0.717 41.345 42.059 0.006 0.000 0.899 381 L HN 0.441 nan 8.230 nan 0.000 0.433 382 A N -0.830 121.986 122.820 -0.006 0.000 2.024 382 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 382 A C 2.100 179.682 177.584 -0.004 0.000 1.164 382 A CA 1.745 53.777 52.037 -0.009 0.000 0.643 382 A CB -0.954 18.035 19.000 -0.019 0.000 0.806 382 A HN 0.592 nan 8.150 nan 0.000 0.451 383 C N -0.930 118.372 119.300 0.004 0.000 2.625 383 C HA 0.469 4.929 4.460 -0.000 0.000 0.285 383 C C 1.858 176.855 174.990 0.012 0.000 1.279 383 C CA -0.025 58.998 59.018 0.008 0.000 1.698 383 C CB -1.337 26.412 27.740 0.015 0.000 1.821 383 C HN 1.063 nan 8.230 nan 0.000 0.600 384 G N 2.282 111.089 108.800 0.012 0.000 2.160 384 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.251 384 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.251 384 G C -0.318 174.596 174.900 0.025 0.000 1.008 384 G CA 0.002 45.111 45.100 0.014 0.000 0.724 384 G HN 0.589 nan 8.290 nan 0.000 0.514 385 N N 1.324 120.047 118.700 0.038 0.000 2.816 385 N HA 0.190 4.930 4.740 -0.000 0.000 0.236 385 N C 0.781 176.340 175.510 0.082 0.000 1.076 385 N CA -0.322 52.760 53.050 0.052 0.000 0.902 385 N CB 0.639 39.160 38.487 0.057 0.000 1.149 385 N HN 0.527 nan 8.380 nan 0.000 0.506 386 N N 0.102 118.844 118.700 0.069 0.000 2.362 386 N HA -0.068 4.672 4.740 -0.000 0.000 0.204 386 N C 0.121 175.693 175.510 0.103 0.000 1.166 386 N CA 0.033 53.137 53.050 0.091 0.000 0.831 386 N CB 0.765 39.288 38.487 0.061 0.000 1.008 386 N HN 0.538 nan 8.380 nan 0.000 0.472 387 E N 1.266 121.513 120.200 0.079 0.000 2.259 387 E HA 0.079 4.429 4.350 -0.000 0.000 0.281 387 E C 0.843 177.434 176.600 -0.015 0.000 1.027 387 E CA -0.651 55.768 56.400 0.031 0.000 0.838 387 E CB 1.086 30.787 29.700 0.002 0.000 1.066 387 E HN -0.118 nan 8.360 nan 0.000 0.401 388 R N 2.503 122.953 120.500 -0.083 0.000 2.091 388 R HA -0.120 4.220 4.340 -0.000 0.000 0.238 388 R C 1.442 177.382 176.300 -0.601 0.000 1.136 388 R CA 1.930 57.796 56.100 -0.390 0.000 0.959 388 R CB -0.694 29.482 30.300 -0.205 0.000 0.856 388 R HN 0.538 nan 8.270 nan 0.000 0.437 389 S N 0.472 116.004 115.700 -0.280 0.000 2.493 389 S HA -0.098 4.372 4.470 -0.000 0.000 0.243 389 S C 1.709 176.201 174.600 -0.180 0.000 0.991 389 S CA 0.917 58.993 58.200 -0.208 0.000 0.957 389 S CB -0.140 62.997 63.200 -0.104 0.000 0.756 389 S HN 0.506 nan 8.310 nan 0.000 0.521 390 A N 0.375 123.092 122.820 -0.171 0.000 2.169 390 A HA 0.272 4.592 4.320 -0.000 0.000 0.212 390 A C 0.661 178.268 177.584 0.038 0.000 1.153 390 A CA 0.280 52.296 52.037 -0.035 0.000 0.756 390 A CB -0.245 18.782 19.000 0.045 0.000 0.813 390 A HN 0.635 nan 8.150 nan 0.000 0.471 391 Y N -2.790 117.522 120.300 0.020 0.000 2.665 391 Y HA 0.691 5.241 4.550 -0.000 0.000 0.336 391 Y C -0.401 175.521 175.900 0.037 0.000 1.085 391 Y CA -1.671 56.442 58.100 0.021 0.000 1.096 391 Y CB 0.703 39.166 38.460 0.004 0.000 1.301 391 Y HN 0.259 nan 8.280 nan 0.000 0.493 392 V N -1.633 118.495 119.914 0.357 0.000 3.158 392 V HA 0.833 4.953 4.120 -0.000 0.000 0.315 392 V C 0.096 176.383 176.094 0.322 0.000 1.148 392 V CA -0.387 62.069 62.300 0.260 0.000 1.042 392 V CB 1.126 33.072 31.823 0.205 0.000 1.101 392 V HN 1.240 nan 8.190 nan 0.000 0.448 393 T N -1.874 112.819 114.554 0.231 0.000 2.788 393 T HA 0.246 4.596 4.350 -0.000 0.000 0.287 393 T C 1.143 175.950 174.700 0.178 0.000 1.007 393 T CA 0.589 62.807 62.100 0.198 0.000 1.005 393 T CB 0.678 69.644 68.868 0.163 0.000 1.012 393 T HN 0.874 nan 8.240 nan 0.000 0.530 394 T N 1.263 115.901 114.554 0.140 0.000 2.665 394 T HA -0.126 4.224 4.350 -0.000 0.000 0.268 394 T C 1.784 176.593 174.700 0.181 0.000 1.035 394 T CA 1.991 64.174 62.100 0.139 0.000 1.151 394 T CB -0.461 68.467 68.868 0.100 0.000 0.862 394 T HN 0.745 nan 8.240 nan 0.000 0.438 395 E N 1.250 121.543 120.200 0.156 0.000 2.047 395 E HA -0.070 4.280 4.350 -0.000 0.000 0.191 395 E C 2.285 178.954 176.600 0.114 0.000 0.987 395 E CA 1.024 57.501 56.400 0.129 0.000 0.799 395 E CB -0.295 29.477 29.700 0.119 0.000 0.752 395 E HN 0.586 nan 8.360 nan 0.000 0.449 396 E N -0.261 120.016 120.200 0.129 0.000 2.110 396 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 396 E C 1.803 178.475 176.600 0.121 0.000 0.988 396 E CA 0.855 57.321 56.400 0.109 0.000 0.804 396 E CB -0.233 29.538 29.700 0.119 0.000 0.745 396 E HN 0.203 nan 8.360 nan 0.000 0.458 397 F N 1.477 121.455 119.950 0.048 0.000 2.102 397 F HA -0.166 4.361 4.527 -0.000 0.000 0.298 397 F C 1.896 177.712 175.800 0.027 0.000 1.105 397 F CA 1.295 59.318 58.000 0.039 0.000 1.239 397 F CB -0.222 38.802 39.000 0.039 0.000 0.991 397 F HN -0.090 nan 8.300 nan 0.000 0.474 398 L N -0.047 121.146 121.223 -0.051 0.000 2.046 398 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 398 L C 2.205 178.979 176.870 -0.160 0.000 1.077 398 L CA 1.510 56.263 54.840 -0.145 0.000 0.747 398 L CB -0.880 41.185 42.059 0.011 0.000 0.896 398 L HN 0.131 nan 8.230 nan 0.000 0.432 399 D N 0.213 120.564 120.400 -0.082 0.000 2.144 399 D HA -0.161 4.479 4.640 -0.000 0.000 0.199 399 D C 2.203 178.439 176.300 -0.106 0.000 0.984 399 D CA 1.492 55.453 54.000 -0.066 0.000 0.834 399 D CB 0.074 40.862 40.800 -0.020 0.000 0.955 399 D HN 0.340 nan 8.370 nan 0.000 0.465 400 A N 0.805 123.535 122.820 -0.150 0.000 1.902 400 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 400 A C 2.566 180.017 177.584 -0.223 0.000 1.181 400 A CA 1.064 53.003 52.037 -0.162 0.000 0.623 400 A CB -0.724 18.183 19.000 -0.156 0.000 0.818 400 A HN 0.135 nan 8.150 nan 0.000 0.443 401 V N 0.132 119.831 119.914 -0.359 0.000 2.407 401 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 401 V C 2.513 178.483 176.094 -0.207 0.000 1.055 401 V CA 2.320 64.425 62.300 -0.325 0.000 1.049 401 V CB -0.717 30.858 31.823 -0.414 0.000 0.662 401 V HN 0.800 nan 8.190 nan 0.000 0.455 402 E N 0.106 120.209 120.200 -0.162 0.000 2.058 402 E HA -0.261 4.089 4.350 -0.000 0.000 0.194 402 E C 2.338 178.895 176.600 -0.072 0.000 0.997 402 E CA 1.323 57.671 56.400 -0.087 0.000 0.801 402 E CB -0.037 29.632 29.700 -0.052 0.000 0.746 402 E HN 0.402 nan 8.360 nan 0.000 0.450 403 K N 0.435 120.788 120.400 -0.078 0.000 2.009 403 K HA -0.140 4.180 4.320 -0.000 0.000 0.210 403 K C 2.300 178.854 176.600 -0.077 0.000 1.049 403 K CA 0.908 57.159 56.287 -0.061 0.000 0.929 403 K CB -0.318 32.150 32.500 -0.055 0.000 0.714 403 K HN 0.110 nan 8.250 nan 0.000 0.440 404 R N 1.043 121.481 120.500 -0.103 0.000 2.083 404 R HA -0.109 4.231 4.340 -0.000 0.000 0.237 404 R C 2.427 178.643 176.300 -0.139 0.000 1.137 404 R CA 0.993 57.027 56.100 -0.110 0.000 0.951 404 R CB -0.907 29.320 30.300 -0.123 0.000 0.851 404 R HN 0.270 nan 8.270 nan 0.000 0.434 405 L N 0.962 122.076 121.223 -0.181 0.000 2.042 405 L HA -0.269 4.071 4.340 -0.000 0.000 0.210 405 L C 2.524 179.245 176.870 -0.248 0.000 1.076 405 L CA 1.618 56.296 54.840 -0.269 0.000 0.749 405 L CB -0.270 41.588 42.059 -0.336 0.000 0.893 405 L HN 0.153 nan 8.230 nan 0.000 0.432 406 Q N 0.421 120.144 119.800 -0.129 0.000 2.133 406 Q HA -0.275 4.065 4.340 -0.000 0.000 0.208 406 Q C 2.011 177.969 176.000 -0.070 0.000 0.991 406 Q CA 2.223 57.998 55.803 -0.047 0.000 0.867 406 Q CB 0.010 28.750 28.738 0.003 0.000 0.911 406 Q HN 0.492 nan 8.270 nan 0.000 0.417 407 K N -0.475 119.879 120.400 -0.076 0.000 2.029 407 K HA -0.027 4.293 4.320 -0.000 0.000 0.205 407 K C 2.141 178.697 176.600 -0.075 0.000 1.042 407 K CA 1.183 57.434 56.287 -0.059 0.000 0.949 407 K CB -0.142 32.329 32.500 -0.049 0.000 0.740 407 K HN 0.205 nan 8.250 nan 0.000 0.442 408 E N 0.892 121.030 120.200 -0.103 0.000 2.160 408 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 408 E C 1.949 178.477 176.600 -0.120 0.000 0.991 408 E CA 0.846 57.181 56.400 -0.108 0.000 0.810 408 E CB -0.135 29.484 29.700 -0.134 0.000 0.742 408 E HN 0.174 nan 8.360 nan 0.000 0.466 409 I N 1.651 122.117 120.570 -0.174 0.000 2.394 409 I HA -0.224 3.946 4.170 -0.000 0.000 0.251 409 I C 1.562 177.642 176.117 -0.061 0.000 1.136 409 I CA 1.444 62.633 61.300 -0.184 0.000 1.425 409 I CB 0.020 37.783 38.000 -0.396 0.000 1.079 409 I HN -0.116 nan 8.210 nan 0.000 0.425 410 K N -0.497 119.880 120.400 -0.038 0.000 2.442 410 K HA -0.036 4.284 4.320 -0.000 0.000 0.198 410 K C 1.507 178.131 176.600 0.040 0.000 1.044 410 K CA 0.883 57.191 56.287 0.035 0.000 0.948 410 K CB -0.244 32.270 32.500 0.024 0.000 0.762 410 K HN 0.221 nan 8.250 nan 0.000 0.472 411 S N 1.135 116.841 115.700 0.010 0.000 2.930 411 S HA 0.200 4.670 4.470 -0.000 0.000 0.257 411 S C -0.004 174.612 174.600 0.028 0.000 1.208 411 S CA -0.293 57.913 58.200 0.010 0.000 1.233 411 S CB -0.517 62.674 63.200 -0.015 0.000 0.900 411 S HN 0.094 nan 8.310 nan 0.000 0.472 412 I N 0.000 120.608 120.570 0.063 0.000 2.984 412 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 412 I CA 0.000 61.349 61.300 0.082 0.000 1.566 412 I CB 0.000 38.082 38.000 0.137 0.000 1.214 412 I HN 0.000 nan 8.210 nan 0.000 0.494