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 2oz8_1_B DATA FIRST_RESID 1 DATA SEQUENCE LSLSHFRITR FQFARDRVIG DSQVRADDVN VAALELVSES GEVGLGFIQT DATA SEQUENCE LFNPLPDQQE IESVFEHEVW PSLKGNRAIA LVHRVNRPRX XXXXXYSLPF DATA SEQUENCE HEAVQVALWD LAAKEAGLPL HVLLGSRRNR VKAYASGLDF HLDDDAFVSL DATA SEQUENCE FSHAASIGYS AFKIKVGHRD FDRDLRRLEL LKTCVPAGSK VMIDPNEAWT DATA SEQUENCE SKEALTKLVA IREAGHDLLW VEDPILRHDH DGLRTLRHAV TWTQINSGEY DATA SEQUENCE LDLQGKRLLL EAHAADILNV HGQVTDVMRI GWLAAELGIP ISIGNTFLEA DATA SEQUENCE GVHMAVALPE VEWLEYSFQN FDHLVEQPIE IRDGYAYAPD RPGHGLVLSE DATA SEQUENCE KARGEWSRPR RLARSELGAA PENPRLP 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 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.862 176.870 -0.013 0.000 1.165 1 L CA 0.000 54.835 54.840 -0.009 0.000 0.813 1 L CB 0.000 42.050 42.059 -0.014 0.000 0.961 2 S N 0.476 116.166 115.700 -0.017 0.000 2.632 2 S HA 0.620 5.090 4.470 0.000 0.000 0.267 2 S C 0.186 174.784 174.600 -0.003 0.000 1.276 2 S CA -0.537 57.645 58.200 -0.029 0.000 0.998 2 S CB 1.143 64.311 63.200 -0.053 0.000 0.953 2 S HN 0.107 nan 8.310 nan 0.000 0.547 3 L N 2.259 123.478 121.223 -0.008 0.000 2.455 3 L HA 0.122 4.463 4.340 0.000 0.000 0.272 3 L C 1.206 178.143 176.870 0.112 0.000 1.174 3 L CA -0.029 54.865 54.840 0.090 0.000 0.869 3 L CB 0.755 42.865 42.059 0.085 0.000 1.130 3 L HN 0.934 nan 8.230 nan 0.000 0.474 4 S N 0.451 116.294 115.700 0.237 0.000 2.663 4 S HA 0.227 4.697 4.470 0.000 0.000 0.247 4 S C 0.408 175.026 174.600 0.031 0.000 1.074 4 S CA -0.404 57.846 58.200 0.083 0.000 0.955 4 S CB 0.480 63.605 63.200 -0.126 0.000 0.901 4 S HN 0.617 nan 8.310 nan 0.000 0.505 5 H N 0.538 119.809 119.070 0.336 0.000 2.961 5 H HA 0.566 5.122 4.556 0.000 0.000 0.371 5 H C -1.454 173.696 175.328 -0.297 0.000 1.190 5 H CA -0.772 55.231 56.048 -0.075 0.000 1.138 5 H CB 1.810 31.503 29.762 -0.115 0.000 1.816 5 H HN 0.409 nan 8.280 nan 0.000 0.551 6 F N 0.003 119.576 119.950 -0.629 0.000 2.575 6 F HA 0.775 5.302 4.527 0.000 0.000 0.330 6 F C -0.680 174.911 175.800 -0.347 0.000 1.056 6 F CA -1.053 56.639 58.000 -0.513 0.000 0.964 6 F CB 1.840 40.433 39.000 -0.679 0.000 1.258 6 F HN 0.285 nan 8.300 nan 0.000 0.484 7 R N 3.073 123.456 120.500 -0.195 0.000 2.533 7 R HA 0.561 4.901 4.340 0.000 0.000 0.288 7 R C -1.957 174.267 176.300 -0.127 0.000 1.039 7 R CA -0.716 55.237 56.100 -0.245 0.000 0.909 7 R CB 1.629 31.818 30.300 -0.184 0.000 1.195 7 R HN 0.746 nan 8.270 nan 0.000 0.438 8 I N 3.319 123.815 120.570 -0.123 0.000 2.404 8 I HA 0.331 4.501 4.170 0.000 0.000 0.293 8 I C -0.311 175.736 176.117 -0.117 0.000 0.992 8 I CA -0.582 60.659 61.300 -0.098 0.000 1.149 8 I CB 1.899 39.872 38.000 -0.045 0.000 1.315 8 I HN 0.560 nan 8.210 nan 0.000 0.446 9 T N 5.948 120.428 114.554 -0.123 0.000 2.815 9 T HA 0.369 4.719 4.350 0.000 0.000 0.289 9 T C 0.119 174.619 174.700 -0.333 0.000 1.000 9 T CA -0.626 61.333 62.100 -0.236 0.000 0.958 9 T CB 1.572 70.299 68.868 -0.235 0.000 0.944 9 T HN 0.470 nan 8.240 nan 0.000 0.442 10 R N 2.671 122.973 120.500 -0.330 0.000 2.390 10 R HA 0.538 4.878 4.340 0.000 0.000 0.291 10 R C -1.239 174.812 176.300 -0.415 0.000 1.070 10 R CA -0.233 55.733 56.100 -0.222 0.000 1.014 10 R CB 0.392 30.630 30.300 -0.104 0.000 1.007 10 R HN 0.454 nan 8.270 nan 0.000 0.466 11 F N 1.415 121.447 119.950 0.136 0.000 2.561 11 F HA 0.365 4.893 4.527 0.000 0.000 0.321 11 F C -0.095 175.839 175.800 0.224 0.000 1.065 11 F CA -0.573 57.580 58.000 0.255 0.000 0.934 11 F CB 2.166 41.381 39.000 0.358 0.000 1.215 11 F HN 0.385 nan 8.300 nan 0.000 0.471 12 Q N 3.649 123.752 119.800 0.506 0.000 2.296 12 Q HA 0.499 4.839 4.340 0.000 0.000 0.254 12 Q C -2.007 174.240 176.000 0.412 0.000 0.936 12 Q CA -0.458 55.509 55.803 0.273 0.000 0.834 12 Q CB 1.867 30.700 28.738 0.158 0.000 1.340 12 Q HN 0.658 nan 8.270 nan 0.000 0.428 13 F N 0.591 120.641 119.950 0.167 0.000 2.685 13 F HA 0.938 5.465 4.527 0.000 0.000 0.315 13 F C -0.912 174.945 175.800 0.095 0.000 1.126 13 F CA -1.284 56.804 58.000 0.148 0.000 0.950 13 F CB 0.761 39.790 39.000 0.049 0.000 1.360 13 F HN 0.415 nan 8.300 nan 0.000 0.469 14 A N 1.471 124.470 122.820 0.297 0.000 2.322 14 A HA 0.694 5.015 4.320 0.000 0.000 0.269 14 A C -0.055 177.637 177.584 0.179 0.000 1.094 14 A CA -0.779 51.351 52.037 0.154 0.000 0.807 14 A CB 0.504 19.588 19.000 0.140 0.000 1.047 14 A HN 0.848 nan 8.150 nan 0.000 0.487 15 R N 0.200 120.751 120.500 0.086 0.000 2.560 15 R HA 0.189 4.529 4.340 0.000 0.000 0.270 15 R C 0.135 176.471 176.300 0.060 0.000 1.074 15 R CA -0.051 56.098 56.100 0.082 0.000 1.140 15 R CB 0.552 30.869 30.300 0.028 0.000 1.073 15 R HN 0.878 nan 8.270 nan 0.000 0.527 16 D N 1.276 121.696 120.400 0.033 0.000 2.355 16 D HA -0.063 4.577 4.640 0.000 0.000 0.218 16 D C 0.175 176.473 176.300 -0.004 0.000 1.004 16 D CA 0.403 54.408 54.000 0.008 0.000 0.880 16 D CB 0.211 41.001 40.800 -0.016 0.000 0.911 16 D HN 0.475 nan 8.370 nan 0.000 0.528 17 R N -1.095 119.403 120.500 -0.003 0.000 2.663 17 R HA 0.449 4.789 4.340 0.000 0.000 0.267 17 R C -1.628 174.681 176.300 0.015 0.000 1.038 17 R CA -0.926 55.174 56.100 -0.000 0.000 0.886 17 R CB 1.057 31.345 30.300 -0.021 0.000 1.249 17 R HN -0.209 nan 8.270 nan 0.000 0.463 18 V N 3.979 123.912 119.914 0.033 0.000 2.485 18 V HA 0.150 4.270 4.120 0.000 0.000 0.287 18 V C 0.798 176.943 176.094 0.086 0.000 1.022 18 V CA 0.026 62.355 62.300 0.049 0.000 1.067 18 V CB -0.098 31.757 31.823 0.054 0.000 0.967 18 V HN 0.636 nan 8.190 nan 0.000 0.479 19 I N 2.691 123.307 120.570 0.077 0.000 2.676 19 I HA 1.083 5.253 4.170 0.000 0.000 0.309 19 I C 0.413 176.649 176.117 0.198 0.000 0.990 19 I CA -0.179 61.188 61.300 0.112 0.000 1.168 19 I CB 2.037 40.067 38.000 0.049 0.000 1.343 19 I HN 0.724 nan 8.210 nan 0.000 0.482 20 G N 3.071 112.027 108.800 0.261 0.000 2.333 20 G HA2 0.417 4.377 3.960 0.000 0.000 0.288 20 G HA3 0.417 4.377 3.960 0.000 0.000 0.288 20 G C -2.255 172.785 174.900 0.233 0.000 1.286 20 G CA -0.076 45.211 45.100 0.311 0.000 0.865 20 G HN 1.057 nan 8.290 nan 0.000 0.506 21 D N -2.752 117.705 120.400 0.095 0.000 2.812 21 D HA 0.530 5.170 4.640 0.000 0.000 0.318 21 D C 1.427 177.247 176.300 -0.801 0.000 1.234 21 D CA 0.555 54.418 54.000 -0.228 0.000 0.989 21 D CB 0.510 41.250 40.800 -0.100 0.000 1.442 21 D HN 0.984 nan 8.370 nan 0.000 0.537 22 S N -1.237 113.764 115.700 -1.165 0.000 2.440 22 S HA -0.260 4.210 4.470 0.000 0.000 0.238 22 S C 1.267 175.507 174.600 -0.599 0.000 1.010 22 S CA 1.328 58.710 58.200 -1.363 0.000 0.972 22 S CB -0.543 62.150 63.200 -0.846 0.000 0.774 22 S HN 0.521 nan 8.310 nan 0.000 0.501 23 Q N -0.515 119.091 119.800 -0.325 0.000 2.349 23 Q HA 0.433 4.774 4.340 0.000 0.000 0.209 23 Q C -0.007 175.973 176.000 -0.034 0.000 0.920 23 Q CA 0.437 56.150 55.803 -0.149 0.000 0.901 23 Q CB 0.868 29.539 28.738 -0.111 0.000 1.021 23 Q HN 0.439 nan 8.270 nan 0.000 0.519 24 V N 0.161 120.104 119.914 0.049 0.000 3.012 24 V HA 0.486 4.607 4.120 0.000 0.000 0.307 24 V C -1.720 174.499 176.094 0.208 0.000 1.166 24 V CA -0.793 61.590 62.300 0.139 0.000 0.974 24 V CB 2.491 34.443 31.823 0.214 0.000 1.040 24 V HN 0.041 nan 8.190 nan 0.000 0.428 25 R N 3.195 123.746 120.500 0.084 0.000 2.628 25 R HA 0.879 5.220 4.340 0.000 0.000 0.288 25 R C -1.264 175.024 176.300 -0.020 0.000 0.980 25 R CA -0.157 55.892 56.100 -0.085 0.000 0.891 25 R CB 2.034 32.105 30.300 -0.382 0.000 1.188 25 R HN 0.993 nan 8.270 nan 0.000 0.450 26 A N 2.659 125.471 122.820 -0.012 0.000 2.459 26 A HA 0.315 4.636 4.320 0.000 0.000 0.296 26 A C -1.134 176.447 177.584 -0.005 0.000 1.039 26 A CA -0.690 51.347 52.037 -0.001 0.000 0.698 26 A CB 1.451 20.458 19.000 0.011 0.000 1.261 26 A HN 0.825 nan 8.150 nan 0.000 0.405 27 D N 0.346 120.740 120.400 -0.010 0.000 2.540 27 D HA 0.250 4.891 4.640 0.000 0.000 0.229 27 D C -0.302 175.994 176.300 -0.006 0.000 1.250 27 D CA 0.194 54.193 54.000 -0.001 0.000 0.817 27 D CB 0.426 41.228 40.800 0.004 0.000 1.060 27 D HN 0.451 nan 8.370 nan 0.000 0.508 28 D N -0.926 119.453 120.400 -0.034 0.000 2.592 28 D HA 0.537 5.177 4.640 0.000 0.000 0.263 28 D C -0.872 175.326 176.300 -0.170 0.000 1.132 28 D CA -1.133 52.815 54.000 -0.088 0.000 0.996 28 D CB 1.597 42.362 40.800 -0.058 0.000 1.442 28 D HN -0.145 nan 8.370 nan 0.000 0.486 29 V N 0.589 120.277 119.914 -0.377 0.000 2.577 29 V HA 0.449 4.570 4.120 0.000 0.000 0.303 29 V C -0.740 175.105 176.094 -0.415 0.000 1.042 29 V CA -0.863 61.143 62.300 -0.490 0.000 0.872 29 V CB 1.552 32.754 31.823 -1.035 0.000 0.998 29 V HN 0.525 nan 8.190 nan 0.000 0.423 30 N N 2.953 121.517 118.700 -0.228 0.000 2.479 30 N HA 0.642 5.383 4.740 0.000 0.000 0.261 30 N C -1.457 173.977 175.510 -0.127 0.000 0.979 30 N CA -0.104 52.868 53.050 -0.129 0.000 0.930 30 N CB 2.647 41.086 38.487 -0.082 0.000 1.172 30 N HN 0.465 nan 8.380 nan 0.000 0.499 31 V N 1.220 121.100 119.914 -0.057 0.000 2.932 31 V HA 0.787 4.907 4.120 0.000 0.000 0.307 31 V C -1.408 174.753 176.094 0.112 0.000 1.147 31 V CA -0.546 61.696 62.300 -0.097 0.000 0.951 31 V CB 1.970 33.538 31.823 -0.425 0.000 1.031 31 V HN 0.676 nan 8.190 nan 0.000 0.426 32 A N 4.909 127.769 122.820 0.068 0.000 2.331 32 A HA 0.949 5.269 4.320 0.000 0.000 0.320 32 A C 0.027 177.668 177.584 0.095 0.000 1.138 32 A CA -0.099 52.006 52.037 0.113 0.000 0.790 32 A CB 1.530 20.546 19.000 0.027 0.000 1.206 32 A HN 1.999 nan 8.150 nan 0.000 0.470 33 A N 1.808 124.718 122.820 0.149 0.000 2.409 33 A HA 0.523 4.843 4.320 0.000 0.000 0.267 33 A C -0.332 177.142 177.584 -0.184 0.000 1.127 33 A CA -0.172 51.798 52.037 -0.112 0.000 0.795 33 A CB -0.106 18.924 19.000 0.049 0.000 1.061 33 A HN 1.511 nan 8.150 nan 0.000 0.502 34 L N 2.504 123.556 121.223 -0.285 0.000 2.287 34 L HA 0.539 4.879 4.340 0.000 0.000 0.287 34 L C -0.278 176.464 176.870 -0.214 0.000 1.022 34 L CA 0.106 54.790 54.840 -0.261 0.000 0.814 34 L CB 1.204 43.076 42.059 -0.311 0.000 1.217 34 L HN 0.734 nan 8.230 nan 0.000 0.420 35 E N 5.566 125.675 120.200 -0.152 0.000 2.158 35 E HA 0.474 4.824 4.350 0.000 0.000 0.271 35 E C -1.247 175.333 176.600 -0.034 0.000 0.911 35 E CA -0.418 55.929 56.400 -0.088 0.000 0.767 35 E CB 1.731 31.388 29.700 -0.072 0.000 1.120 35 E HN 0.576 nan 8.360 nan 0.000 0.405 36 L N 3.678 124.910 121.223 0.015 0.000 2.287 36 L HA 0.436 4.776 4.340 0.000 0.000 0.287 36 L C -0.731 176.201 176.870 0.102 0.000 1.022 36 L CA -1.015 53.889 54.840 0.106 0.000 0.814 36 L CB 1.244 43.396 42.059 0.155 0.000 1.217 36 L HN 0.259 nan 8.230 nan 0.000 0.420 37 V N 1.911 121.907 119.914 0.136 0.000 2.427 37 V HA 0.412 4.533 4.120 0.000 0.000 0.286 37 V C 0.399 176.584 176.094 0.152 0.000 1.034 37 V CA -0.535 61.837 62.300 0.120 0.000 0.893 37 V CB 1.587 33.480 31.823 0.117 0.000 0.982 37 V HN 0.886 nan 8.190 nan 0.000 0.452 38 S N 2.244 118.003 115.700 0.099 0.000 2.687 38 S HA 0.367 4.837 4.470 0.000 0.000 0.283 38 S C 0.699 175.343 174.600 0.073 0.000 1.170 38 S CA -0.576 57.672 58.200 0.081 0.000 1.008 38 S CB 1.371 64.596 63.200 0.042 0.000 1.026 38 S HN 0.709 nan 8.310 nan 0.000 0.541 39 E N 0.751 120.982 120.200 0.053 0.000 2.331 39 E HA -0.124 4.226 4.350 0.000 0.000 0.199 39 E C 1.614 178.236 176.600 0.036 0.000 1.008 39 E CA 1.303 57.730 56.400 0.045 0.000 0.843 39 E CB -0.189 29.524 29.700 0.022 0.000 0.761 39 E HN 0.797 nan 8.360 nan 0.000 0.507 40 S N -1.411 114.306 115.700 0.029 0.000 2.593 40 S HA 0.180 4.650 4.470 0.000 0.000 0.217 40 S C 1.629 176.243 174.600 0.023 0.000 0.966 40 S CA 0.277 58.489 58.200 0.020 0.000 0.914 40 S CB 0.516 63.723 63.200 0.011 0.000 0.776 40 S HN 0.378 nan 8.310 nan 0.000 0.523 41 G N 0.861 109.681 108.800 0.033 0.000 2.284 41 G HA2 -0.238 3.723 3.960 0.000 0.000 0.247 41 G HA3 -0.238 3.723 3.960 0.000 0.000 0.247 41 G C -0.091 174.823 174.900 0.024 0.000 1.012 41 G CA 0.126 45.243 45.100 0.029 0.000 0.618 41 G HN 0.547 nan 8.290 nan 0.000 0.521 42 E N 0.454 120.666 120.200 0.020 0.000 2.373 42 E HA 0.455 4.806 4.350 0.000 0.000 0.267 42 E C 0.081 176.691 176.600 0.017 0.000 1.032 42 E CA -0.036 56.372 56.400 0.012 0.000 0.889 42 E CB 2.017 31.719 29.700 0.003 0.000 0.984 42 E HN 0.272 nan 8.360 nan 0.000 0.425 43 V N 1.283 121.201 119.914 0.008 0.000 2.555 43 V HA 0.517 4.637 4.120 0.000 0.000 0.302 43 V C 0.450 176.535 176.094 -0.015 0.000 1.038 43 V CA -0.870 61.434 62.300 0.006 0.000 0.887 43 V CB 2.001 33.826 31.823 0.004 0.000 0.991 43 V HN 0.722 nan 8.190 nan 0.000 0.434 44 G N 3.348 112.141 108.800 -0.011 0.000 2.372 44 G HA2 0.617 4.577 3.960 0.000 0.000 0.323 44 G HA3 0.617 4.577 3.960 0.000 0.000 0.323 44 G C -1.363 173.524 174.900 -0.023 0.000 1.152 44 G CA -0.434 44.646 45.100 -0.033 0.000 0.906 44 G HN 0.557 nan 8.290 nan 0.000 0.460 45 L N 2.647 123.865 121.223 -0.009 0.000 2.322 45 L HA 0.899 5.239 4.340 0.000 0.000 0.281 45 L C 0.333 177.204 176.870 0.001 0.000 1.014 45 L CA -0.337 54.476 54.840 -0.044 0.000 0.815 45 L CB 1.650 43.702 42.059 -0.012 0.000 1.247 45 L HN 0.662 nan 8.230 nan 0.000 0.421 46 G N 2.976 111.652 108.800 -0.206 0.000 2.680 46 G HA2 0.643 4.603 3.960 0.000 0.000 0.290 46 G HA3 0.643 4.603 3.960 0.000 0.000 0.290 46 G C -1.886 172.737 174.900 -0.461 0.000 1.355 46 G CA -0.494 44.511 45.100 -0.157 0.000 0.903 46 G HN 0.342 nan 8.290 nan 0.000 0.474 47 F N 0.019 119.950 119.950 -0.031 0.000 2.493 47 F HA 0.483 5.011 4.527 0.000 0.000 0.329 47 F C 0.310 176.005 175.800 -0.174 0.000 1.126 47 F CA -0.624 57.253 58.000 -0.204 0.000 0.937 47 F CB 2.252 40.933 39.000 -0.531 0.000 1.146 47 F HN 0.108 nan 8.300 nan 0.000 0.442 48 I N 3.698 124.266 120.570 -0.004 0.000 2.281 48 I HA 0.220 4.390 4.170 0.000 0.000 0.293 48 I C -0.308 175.754 176.117 -0.092 0.000 1.085 48 I CA -0.142 61.153 61.300 -0.010 0.000 1.257 48 I CB 0.670 38.691 38.000 0.034 0.000 1.430 48 I HN 0.583 nan 8.210 nan 0.000 0.489 49 Q N 5.562 125.294 119.800 -0.114 0.000 2.316 49 Q HA 0.455 4.795 4.340 0.000 0.000 0.264 49 Q C -0.663 175.258 176.000 -0.131 0.000 0.987 49 Q CA -0.698 55.010 55.803 -0.158 0.000 0.852 49 Q CB 2.011 30.647 28.738 -0.170 0.000 1.287 49 Q HN 0.700 nan 8.270 nan 0.000 0.448 50 T N 0.991 115.463 114.554 -0.137 0.000 2.823 50 T HA 0.468 4.819 4.350 0.000 0.000 0.279 50 T C 0.681 175.256 174.700 -0.208 0.000 0.998 50 T CA -0.745 61.264 62.100 -0.152 0.000 0.994 50 T CB 0.912 69.720 68.868 -0.099 0.000 0.960 50 T HN 0.659 nan 8.240 nan 0.000 0.448 51 L N 0.540 121.536 121.223 -0.378 0.000 2.537 51 L HA 0.314 4.654 4.340 0.000 0.000 0.224 51 L C 1.337 177.914 176.870 -0.488 0.000 1.065 51 L CA 0.171 54.690 54.840 -0.536 0.000 0.860 51 L CB -0.089 41.450 42.059 -0.866 0.000 1.086 51 L HN 0.560 nan 8.230 nan 0.000 0.482 52 F N -0.404 119.550 119.950 0.007 0.000 2.622 52 F HA 0.205 4.732 4.527 0.000 0.000 0.288 52 F C 0.594 176.392 175.800 -0.004 0.000 1.120 52 F CA -0.447 57.556 58.000 0.005 0.000 1.423 52 F CB -0.102 38.903 39.000 0.008 0.000 1.127 52 F HN -0.039 nan 8.300 nan 0.000 0.588 53 N N -0.461 118.304 118.700 0.110 0.000 2.329 53 N HA 0.393 5.133 4.740 0.000 0.000 0.282 53 N C -2.833 172.683 175.510 0.011 0.000 1.198 53 N CA -1.764 51.325 53.050 0.065 0.000 0.790 53 N CB 2.482 41.015 38.487 0.077 0.000 1.579 53 N HN -0.311 nan 8.380 nan 0.000 0.475 54 P HA 0.211 nan 4.420 nan 0.000 0.276 54 P C -0.678 176.617 177.300 -0.009 0.000 1.252 54 P CA -0.361 62.735 63.100 -0.007 0.000 0.802 54 P CB 0.800 32.502 31.700 0.004 0.000 1.035 55 L N 2.094 123.308 121.223 -0.014 0.000 2.453 55 L HA 0.308 4.648 4.340 0.000 0.000 0.261 55 L C -1.508 175.364 176.870 0.003 0.000 1.179 55 L CA -1.656 53.176 54.840 -0.013 0.000 0.813 55 L CB -0.062 41.989 42.059 -0.014 0.000 1.110 55 L HN 0.340 nan 8.230 nan 0.000 0.466 56 P HA 0.079 nan 4.420 nan 0.000 0.277 56 P C -1.123 176.188 177.300 0.019 0.000 1.276 56 P CA -0.619 62.491 63.100 0.016 0.000 0.788 56 P CB 0.413 32.127 31.700 0.023 0.000 1.114 57 D N -0.090 120.322 120.400 0.020 0.000 2.443 57 D HA -0.082 4.558 4.640 0.000 0.000 0.234 57 D C 1.486 177.796 176.300 0.017 0.000 1.172 57 D CA 0.167 54.176 54.000 0.015 0.000 0.878 57 D CB 0.132 40.940 40.800 0.014 0.000 1.204 57 D HN 0.401 nan 8.370 nan 0.000 0.453 58 Q N 1.070 120.869 119.800 -0.002 0.000 2.096 58 Q HA -0.318 4.022 4.340 0.000 0.000 0.208 58 Q C 1.835 177.846 176.000 0.018 0.000 0.993 58 Q CA 2.086 57.884 55.803 -0.009 0.000 0.862 58 Q CB 0.003 28.713 28.738 -0.046 0.000 0.915 58 Q HN 0.700 nan 8.270 nan 0.000 0.416 59 Q N -0.558 119.251 119.800 0.015 0.000 2.167 59 Q HA -0.204 4.137 4.340 0.000 0.000 0.202 59 Q C 1.689 177.724 176.000 0.058 0.000 0.970 59 Q CA 1.586 57.406 55.803 0.029 0.000 0.855 59 Q CB -0.146 28.601 28.738 0.015 0.000 0.911 59 Q HN 0.213 nan 8.270 nan 0.000 0.438 60 E N 1.374 121.608 120.200 0.056 0.000 2.047 60 E HA -0.117 4.234 4.350 0.000 0.000 0.191 60 E C 1.879 178.551 176.600 0.120 0.000 0.987 60 E CA 1.553 57.997 56.400 0.073 0.000 0.799 60 E CB -0.290 29.442 29.700 0.053 0.000 0.752 60 E HN 0.562 nan 8.360 nan 0.000 0.449 61 I N 0.398 121.045 120.570 0.127 0.000 2.163 61 I HA -0.271 3.900 4.170 0.000 0.000 0.243 61 I C 2.412 178.675 176.117 0.244 0.000 1.085 61 I CA 1.553 62.978 61.300 0.210 0.000 1.347 61 I CB -0.380 37.715 38.000 0.157 0.000 1.044 61 I HN 0.183 nan 8.210 nan 0.000 0.408 62 E N 0.372 120.684 120.200 0.186 0.000 2.085 62 E HA -0.245 4.105 4.350 0.000 0.000 0.194 62 E C 2.316 179.082 176.600 0.276 0.000 0.994 62 E CA 1.771 58.331 56.400 0.267 0.000 0.801 62 E CB -0.062 29.747 29.700 0.183 0.000 0.743 62 E HN 0.381 nan 8.360 nan 0.000 0.453 63 S N -0.335 115.481 115.700 0.193 0.000 2.406 63 S HA -0.083 4.387 4.470 0.000 0.000 0.228 63 S C 2.033 176.739 174.600 0.177 0.000 1.020 63 S CA 0.816 59.120 58.200 0.174 0.000 0.965 63 S CB 0.016 63.286 63.200 0.118 0.000 0.798 63 S HN 0.087 nan 8.310 nan 0.000 0.488 64 V N 0.952 120.976 119.914 0.182 0.000 2.453 64 V HA 0.004 4.124 4.120 0.000 0.000 0.247 64 V C 2.021 178.182 176.094 0.112 0.000 1.048 64 V CA 1.834 64.249 62.300 0.192 0.000 1.049 64 V CB -0.845 31.151 31.823 0.289 0.000 0.672 64 V HN 0.648 nan 8.190 nan 0.000 0.457 65 F N 1.269 121.093 119.950 -0.209 0.000 2.186 65 F HA -0.167 4.360 4.527 0.000 0.000 0.299 65 F C 2.436 177.968 175.800 -0.446 0.000 1.090 65 F CA 2.178 59.747 58.000 -0.717 0.000 1.307 65 F CB -0.052 38.316 39.000 -1.053 0.000 1.019 65 F HN 0.222 nan 8.300 nan 0.000 0.489 66 E N -1.068 119.094 120.200 -0.064 0.000 2.077 66 E HA -0.293 4.057 4.350 0.000 0.000 0.193 66 E C 2.373 179.027 176.600 0.091 0.000 0.989 66 E CA 1.472 57.930 56.400 0.097 0.000 0.800 66 E CB -0.482 29.403 29.700 0.309 0.000 0.746 66 E HN 0.553 nan 8.360 nan 0.000 0.452 67 H N 0.330 119.401 119.070 0.003 0.000 2.372 67 H HA -0.046 4.510 4.556 0.000 0.000 0.301 67 H C 1.766 177.075 175.328 -0.031 0.000 1.065 67 H CA 1.786 57.844 56.048 0.016 0.000 1.364 67 H CB 0.307 30.096 29.762 0.044 0.000 1.406 67 H HN 0.444 nan 8.280 nan 0.000 0.521 68 E N -0.117 120.141 120.200 0.096 0.000 2.447 68 E HA 0.062 4.412 4.350 0.000 0.000 0.204 68 E C 1.089 177.621 176.600 -0.114 0.000 0.977 68 E CA 0.426 56.877 56.400 0.085 0.000 0.950 68 E CB 0.462 30.306 29.700 0.240 0.000 0.975 68 E HN 0.210 nan 8.360 nan 0.000 0.496 69 V N -0.219 119.418 119.914 -0.461 0.000 3.103 69 V HA 0.007 4.127 4.120 0.000 0.000 0.229 69 V C 1.852 177.592 176.094 -0.591 0.000 1.304 69 V CA 0.280 62.172 62.300 -0.680 0.000 1.298 69 V CB -0.557 30.411 31.823 -1.425 0.000 1.093 69 V HN 0.416 nan 8.190 nan 0.000 0.489 70 W N 2.723 123.467 121.300 -0.927 0.000 2.325 70 W HA -0.142 4.518 4.660 0.000 0.000 0.299 70 W C -0.869 175.485 176.519 -0.275 0.000 1.215 70 W CA 2.024 59.018 57.345 -0.585 0.000 1.244 70 W CB -1.092 28.107 29.460 -0.434 0.000 1.140 70 W HN 0.325 nan 8.180 nan 0.000 0.523 71 P HA -0.209 nan 4.420 nan 0.000 0.218 71 P C 1.951 179.064 177.300 -0.313 0.000 1.148 71 P CA 2.927 65.841 63.100 -0.311 0.000 0.822 71 P CB -0.393 31.192 31.700 -0.191 0.000 0.784 72 S N -1.921 113.622 115.700 -0.263 0.000 2.496 72 S HA 0.039 4.510 4.470 0.000 0.000 0.224 72 S C 1.661 176.111 174.600 -0.251 0.000 0.996 72 S CA 0.470 58.547 58.200 -0.206 0.000 0.927 72 S CB -1.053 62.078 63.200 -0.115 0.000 0.774 72 S HN 0.068 nan 8.310 nan 0.000 0.524 73 L N 0.192 121.191 121.223 -0.373 0.000 2.316 73 L HA 0.331 4.671 4.340 0.000 0.000 0.207 73 L C 1.376 177.876 176.870 -0.618 0.000 1.070 73 L CA 0.066 54.675 54.840 -0.386 0.000 0.820 73 L CB -0.352 41.583 42.059 -0.207 0.000 0.992 73 L HN 0.194 nan 8.230 nan 0.000 0.466 74 K N 1.053 120.817 120.400 -1.059 0.000 2.485 74 K HA 0.102 4.423 4.320 0.000 0.000 0.277 74 K C 1.040 177.336 176.600 -0.506 0.000 0.990 74 K CA 0.960 56.587 56.287 -1.101 0.000 0.994 74 K CB 0.470 32.227 32.500 -1.239 0.000 0.906 74 K HN 0.261 nan 8.250 nan 0.000 0.488 75 G N 2.521 111.120 108.800 -0.336 0.000 2.212 75 G HA2 -0.248 3.712 3.960 0.000 0.000 0.266 75 G HA3 -0.248 3.712 3.960 0.000 0.000 0.266 75 G C -0.185 174.620 174.900 -0.159 0.000 0.978 75 G CA 0.231 45.212 45.100 -0.199 0.000 0.632 75 G HN 0.719 nan 8.290 nan 0.000 0.537 76 N N 0.154 118.746 118.700 -0.180 0.000 2.472 76 N HA 0.496 5.236 4.740 0.000 0.000 0.289 76 N C 0.024 175.473 175.510 -0.101 0.000 1.156 76 N CA -0.612 52.356 53.050 -0.135 0.000 0.940 76 N CB 0.716 39.113 38.487 -0.151 0.000 1.200 76 N HN 0.078 nan 8.380 nan 0.000 0.511 77 R N 0.881 121.329 120.500 -0.086 0.000 2.308 77 R HA 0.265 4.605 4.340 0.000 0.000 0.305 77 R C 0.878 177.116 176.300 -0.102 0.000 1.053 77 R CA -0.260 55.793 56.100 -0.077 0.000 0.957 77 R CB 0.758 31.019 30.300 -0.065 0.000 1.022 77 R HN 0.731 nan 8.270 nan 0.000 0.461 78 A N 3.746 126.502 122.820 -0.106 0.000 1.903 78 A HA -0.233 4.088 4.320 0.000 0.000 0.219 78 A C 1.909 179.336 177.584 -0.261 0.000 1.191 78 A CA 1.601 53.541 52.037 -0.162 0.000 0.638 78 A CB -0.404 18.513 19.000 -0.137 0.000 0.823 78 A HN 0.675 nan 8.150 nan 0.000 0.451 79 I N -0.428 120.013 120.570 -0.216 0.000 2.454 79 I HA -0.140 4.031 4.170 0.000 0.000 0.254 79 I C 2.479 178.504 176.117 -0.153 0.000 1.156 79 I CA 1.105 62.257 61.300 -0.247 0.000 1.433 79 I CB -0.416 37.523 38.000 -0.102 0.000 1.082 79 I HN 0.310 nan 8.210 nan 0.000 0.432 80 A N 0.066 122.831 122.820 -0.092 0.000 1.854 80 A HA -0.083 4.237 4.320 0.000 0.000 0.214 80 A C 2.248 179.785 177.584 -0.078 0.000 1.192 80 A CA 1.446 53.466 52.037 -0.028 0.000 0.611 80 A CB -0.950 18.023 19.000 -0.045 0.000 0.832 80 A HN 0.419 nan 8.150 nan 0.000 0.442 81 L N 0.405 121.543 121.223 -0.142 0.000 2.081 81 L HA -0.197 4.143 4.340 0.000 0.000 0.212 81 L C 2.563 179.312 176.870 -0.201 0.000 1.080 81 L CA 1.595 56.347 54.840 -0.147 0.000 0.754 81 L CB -0.661 41.311 42.059 -0.145 0.000 0.893 81 L HN 0.470 nan 8.230 nan 0.000 0.433 82 V N -4.149 115.517 119.914 -0.413 0.000 2.970 82 V HA -0.207 3.913 4.120 0.000 0.000 0.260 82 V C 1.679 177.559 176.094 -0.356 0.000 1.100 82 V CA 1.443 63.408 62.300 -0.559 0.000 1.122 82 V CB -1.034 29.916 31.823 -1.455 0.000 0.721 82 V HN 0.478 nan 8.190 nan 0.000 0.483 83 H N -0.244 118.749 119.070 -0.128 0.000 2.553 83 H HA 0.335 4.892 4.556 0.001 0.000 0.265 83 H C 1.352 176.670 175.328 -0.017 0.000 0.964 83 H CA -0.207 55.818 56.048 -0.037 0.000 1.156 83 H CB 0.166 29.895 29.762 -0.054 0.000 1.411 83 H HN 0.368 nan 8.280 nan 0.000 0.558 84 R N 1.690 122.223 120.500 0.055 0.000 2.522 84 R HA 0.077 4.417 4.340 0.000 0.000 0.284 84 R C -0.946 175.385 176.300 0.051 0.000 1.032 84 R CA -0.052 56.071 56.100 0.038 0.000 1.049 84 R CB 0.326 30.631 30.300 0.009 0.000 0.956 84 R HN -0.016 nan 8.270 nan 0.000 0.422 85 V N 6.159 126.098 119.914 0.042 0.000 2.333 85 V HA 0.212 4.332 4.120 0.000 0.000 0.274 85 V C -0.042 176.070 176.094 0.031 0.000 1.028 85 V CA -0.695 61.631 62.300 0.042 0.000 0.851 85 V CB 1.080 32.922 31.823 0.031 0.000 1.000 85 V HN 0.798 nan 8.190 nan 0.000 0.456 86 N N 3.858 122.581 118.700 0.038 0.000 2.472 86 N HA 0.478 5.218 4.740 0.000 0.000 0.289 86 N C -0.230 175.296 175.510 0.027 0.000 1.156 86 N CA -0.718 52.349 53.050 0.028 0.000 0.940 86 N CB 1.974 40.481 38.487 0.033 0.000 1.200 86 N HN 0.502 nan 8.380 nan 0.000 0.511 87 R N 1.028 121.538 120.500 0.016 0.000 2.410 87 R HA 0.224 4.564 4.340 0.000 0.000 0.288 87 R C -1.151 175.155 176.300 0.011 0.000 1.051 87 R CA -1.224 54.885 56.100 0.014 0.000 1.021 87 R CB 0.640 30.945 30.300 0.008 0.000 1.032 87 R HN 0.428 nan 8.270 nan 0.000 0.481 88 P HA -0.126 nan 4.420 nan 0.000 0.208 88 P C -0.424 176.873 177.300 -0.005 0.000 1.189 88 P CA 0.699 63.803 63.100 0.007 0.000 0.931 88 P CB 0.129 31.836 31.700 0.012 0.000 0.783 97 S N 0.647 116.529 115.700 0.304 0.000 2.428 97 S HA 0.164 4.634 4.470 0.000 0.000 0.230 97 S C 0.183 174.786 174.600 0.004 0.000 1.014 97 S CA 1.049 59.332 58.200 0.138 0.000 0.957 97 S CB -0.078 63.212 63.200 0.149 0.000 0.784 97 S HN 0.400 nan 8.310 nan 0.000 0.499 98 L N 0.973 122.091 121.223 -0.175 0.000 2.309 98 L HA 0.491 4.831 4.340 0.000 0.000 0.261 98 L C -2.424 174.101 176.870 -0.575 0.000 1.021 98 L CA -2.686 51.852 54.840 -0.504 0.000 0.823 98 L CB 1.999 43.531 42.059 -0.879 0.000 1.366 98 L HN -0.125 nan 8.230 nan 0.000 0.423 99 P HA 0.080 nan 4.420 nan 0.000 0.235 99 P C 0.081 177.342 177.300 -0.065 0.000 1.765 99 P CA 0.108 63.126 63.100 -0.136 0.000 1.034 99 P CB -0.402 31.259 31.700 -0.065 0.000 1.984 100 F N -0.696 119.369 119.950 0.191 0.000 2.710 100 F HA 0.028 4.556 4.527 0.000 0.000 0.298 100 F C 2.419 178.365 175.800 0.243 0.000 1.137 100 F CA 0.478 58.565 58.000 0.143 0.000 1.444 100 F CB -0.962 38.019 39.000 -0.031 0.000 1.111 100 F HN 0.286 nan 8.300 nan 0.000 0.580 101 H N 0.447 119.761 119.070 0.407 0.000 2.326 101 H HA -0.153 4.403 4.556 0.000 0.000 0.301 101 H C 2.312 177.799 175.328 0.263 0.000 1.081 101 H CA 2.298 58.565 56.048 0.366 0.000 1.334 101 H CB -0.004 29.941 29.762 0.305 0.000 1.385 101 H HN 0.339 nan 8.280 nan 0.000 0.504 102 E N -0.067 120.278 120.200 0.241 0.000 2.072 102 E HA -0.143 4.207 4.350 0.000 0.000 0.191 102 E C 2.306 178.997 176.600 0.151 0.000 0.985 102 E CA 0.894 57.391 56.400 0.161 0.000 0.801 102 E CB -0.288 29.528 29.700 0.193 0.000 0.750 102 E HN 0.567 nan 8.360 nan 0.000 0.452 103 A N 0.654 123.577 122.820 0.172 0.000 1.908 103 A HA -0.152 4.168 4.320 0.000 0.000 0.218 103 A C 2.420 180.082 177.584 0.130 0.000 1.181 103 A CA 1.623 53.745 52.037 0.141 0.000 0.627 103 A CB -0.762 18.310 19.000 0.121 0.000 0.818 103 A HN 0.239 nan 8.150 nan 0.000 0.445 104 V N -0.130 119.882 119.914 0.164 0.000 2.295 104 V HA -0.315 3.805 4.120 0.000 0.000 0.246 104 V C 2.646 178.813 176.094 0.122 0.000 1.049 104 V CA 2.242 64.634 62.300 0.154 0.000 1.024 104 V CB -0.945 30.987 31.823 0.182 0.000 0.648 104 V HN 0.632 nan 8.190 nan 0.000 0.447 105 Q N -0.549 119.313 119.800 0.103 0.000 2.084 105 Q HA -0.161 4.180 4.340 0.000 0.000 0.202 105 Q C 2.356 178.530 176.000 0.290 0.000 0.978 105 Q CA 1.765 57.673 55.803 0.174 0.000 0.844 105 Q CB -0.264 28.544 28.738 0.116 0.000 0.898 105 Q HN 0.560 nan 8.270 nan 0.000 0.426 106 V N 0.747 120.799 119.914 0.231 0.000 2.358 106 V HA -0.247 3.873 4.120 0.000 0.000 0.246 106 V C 2.238 178.487 176.094 0.259 0.000 1.047 106 V CA 1.787 64.254 62.300 0.279 0.000 1.035 106 V CB -0.902 31.080 31.823 0.266 0.000 0.658 106 V HN 0.374 nan 8.190 nan 0.000 0.452 107 A N -0.376 122.544 122.820 0.166 0.000 1.898 107 A HA -0.112 4.208 4.320 0.000 0.000 0.216 107 A C 2.234 179.860 177.584 0.070 0.000 1.181 107 A CA 1.568 53.663 52.037 0.096 0.000 0.620 107 A CB -0.478 18.551 19.000 0.049 0.000 0.819 107 A HN 0.479 nan 8.150 nan 0.000 0.442 108 L N -2.583 118.685 121.223 0.075 0.000 2.017 108 L HA -0.209 4.131 4.340 0.000 0.000 0.208 108 L C 2.595 179.420 176.870 -0.074 0.000 1.073 108 L CA 1.423 56.247 54.840 -0.026 0.000 0.745 108 L CB -0.489 41.518 42.059 -0.086 0.000 0.894 108 L HN 0.621 nan 8.230 nan 0.000 0.432 109 W N 0.277 121.560 121.300 -0.029 0.000 2.425 109 W HA -0.177 4.483 4.660 0.000 0.000 0.277 109 W C 2.299 178.762 176.519 -0.093 0.000 1.231 109 W CA 0.990 58.304 57.345 -0.051 0.000 1.248 109 W CB -0.235 29.213 29.460 -0.020 0.000 1.117 109 W HN 0.237 nan 8.180 nan 0.000 0.568 110 D N 0.163 120.612 120.400 0.082 0.000 2.084 110 D HA -0.198 4.443 4.640 0.000 0.000 0.194 110 D C 2.067 178.300 176.300 -0.112 0.000 0.990 110 D CA 1.296 55.188 54.000 -0.180 0.000 0.826 110 D CB -0.387 40.167 40.800 -0.411 0.000 0.971 110 D HN -0.052 nan 8.370 nan 0.000 0.453 111 L N 0.704 121.889 121.223 -0.064 0.000 2.012 111 L HA -0.039 4.301 4.340 0.000 0.000 0.210 111 L C 2.280 179.118 176.870 -0.054 0.000 1.073 111 L CA 2.244 57.054 54.840 -0.050 0.000 0.748 111 L CB -1.303 40.737 42.059 -0.031 0.000 0.891 111 L HN 0.115 nan 8.230 nan 0.000 0.431 112 A N -0.723 122.049 122.820 -0.080 0.000 1.883 112 A HA -0.182 4.138 4.320 0.000 0.000 0.217 112 A C 2.442 180.010 177.584 -0.026 0.000 1.186 112 A CA 2.220 54.199 52.037 -0.096 0.000 0.624 112 A CB -1.196 17.662 19.000 -0.237 0.000 0.822 112 A HN 0.575 nan 8.150 nan 0.000 0.444 113 A N -0.461 122.368 122.820 0.015 0.000 1.898 113 A HA -0.143 4.178 4.320 0.000 0.000 0.216 113 A C 2.100 179.678 177.584 -0.009 0.000 1.181 113 A CA 1.828 53.878 52.037 0.022 0.000 0.620 113 A CB -0.457 18.554 19.000 0.018 0.000 0.819 113 A HN 0.545 nan 8.150 nan 0.000 0.442 114 K N -0.134 120.250 120.400 -0.028 0.000 2.020 114 K HA -0.211 4.110 4.320 0.000 0.000 0.212 114 K C 1.927 178.519 176.600 -0.013 0.000 1.050 114 K CA 1.952 58.224 56.287 -0.023 0.000 0.929 114 K CB -0.272 32.209 32.500 -0.032 0.000 0.714 114 K HN 0.637 nan 8.250 nan 0.000 0.443 115 E N -0.040 120.150 120.200 -0.017 0.000 2.204 115 E HA -0.150 4.201 4.350 0.000 0.000 0.195 115 E C 1.606 178.201 176.600 -0.009 0.000 0.990 115 E CA 0.907 57.299 56.400 -0.014 0.000 0.821 115 E CB -0.015 29.672 29.700 -0.021 0.000 0.750 115 E HN 0.333 nan 8.360 nan 0.000 0.477 116 A N 0.582 123.398 122.820 -0.006 0.000 2.251 116 A HA 0.296 4.616 4.320 0.000 0.000 0.209 116 A C 1.572 179.158 177.584 0.003 0.000 1.187 116 A CA 0.565 52.603 52.037 0.002 0.000 0.823 116 A CB -0.195 18.813 19.000 0.013 0.000 0.846 116 A HN 0.267 nan 8.150 nan 0.000 0.486 117 G N -0.690 108.110 108.800 0.000 0.000 2.272 117 G HA2 -0.202 3.759 3.960 0.000 0.000 0.280 117 G HA3 -0.202 3.759 3.960 0.000 0.000 0.280 117 G C -0.208 174.692 174.900 0.000 0.000 1.067 117 G CA 0.673 45.774 45.100 0.002 0.000 0.902 117 G HN 0.529 nan 8.290 nan 0.000 0.500 118 L N -0.713 120.508 121.223 -0.004 0.000 2.388 118 L HA 0.541 4.881 4.340 0.000 0.000 0.264 118 L C -2.299 174.557 176.870 -0.024 0.000 0.998 118 L CA -2.734 52.096 54.840 -0.016 0.000 0.817 118 L CB 2.654 44.702 42.059 -0.018 0.000 1.338 118 L HN -0.150 nan 8.230 nan 0.000 0.414 119 P HA 0.027 nan 4.420 nan 0.000 0.268 119 P C 0.451 177.695 177.300 -0.095 0.000 1.205 119 P CA -0.392 62.699 63.100 -0.015 0.000 0.771 119 P CB 0.735 32.463 31.700 0.047 0.000 0.858 120 L N 4.439 125.554 121.223 -0.179 0.000 2.021 120 L HA -0.248 4.092 4.340 0.000 0.000 0.215 120 L C 2.320 179.172 176.870 -0.029 0.000 1.074 120 L CA 2.380 57.104 54.840 -0.193 0.000 0.760 120 L CB -1.719 40.064 42.059 -0.460 0.000 0.889 120 L HN 0.605 nan 8.230 nan 0.000 0.433 121 H N -3.183 115.986 119.070 0.164 0.000 2.421 121 H HA -0.065 4.491 4.556 0.000 0.000 0.298 121 H C 1.873 177.265 175.328 0.107 0.000 1.087 121 H CA 1.440 57.612 56.048 0.207 0.000 1.330 121 H CB -1.063 28.875 29.762 0.295 0.000 1.388 121 H HN 0.187 nan 8.280 nan 0.000 0.526 122 V N 0.857 120.460 119.914 -0.517 0.000 2.307 122 V HA -0.210 3.911 4.120 0.000 0.000 0.245 122 V C 2.547 178.591 176.094 -0.083 0.000 1.045 122 V CA 1.565 63.685 62.300 -0.300 0.000 1.024 122 V CB -0.680 30.953 31.823 -0.315 0.000 0.651 122 V HN 0.396 nan 8.190 nan 0.000 0.449 123 L N -0.251 120.947 121.223 -0.043 0.000 2.127 123 L HA -0.106 4.234 4.340 0.000 0.000 0.211 123 L C 1.942 178.864 176.870 0.086 0.000 1.089 123 L CA 1.856 56.732 54.840 0.060 0.000 0.757 123 L CB -0.458 41.676 42.059 0.124 0.000 0.899 123 L HN 0.242 nan 8.230 nan 0.000 0.434 124 L N -0.551 120.686 121.223 0.023 0.000 2.599 124 L HA 0.200 4.541 4.340 0.000 0.000 0.230 124 L C 1.439 178.325 176.870 0.027 0.000 1.141 124 L CA 0.576 55.404 54.840 -0.020 0.000 0.877 124 L CB -0.770 41.235 42.059 -0.090 0.000 1.009 124 L HN 0.576 nan 8.230 nan 0.000 0.447 125 G N -0.026 108.800 108.800 0.042 0.000 2.141 125 G HA2 -0.276 3.684 3.960 0.000 0.000 0.231 125 G HA3 -0.276 3.684 3.960 0.000 0.000 0.231 125 G C 0.403 175.337 174.900 0.057 0.000 0.984 125 G CA 0.298 45.427 45.100 0.049 0.000 0.660 125 G HN 0.461 nan 8.290 nan 0.000 0.525 126 S N -0.856 114.891 115.700 0.078 0.000 2.573 126 S HA 0.543 5.014 4.470 0.000 0.000 0.277 126 S C 0.983 175.640 174.600 0.096 0.000 1.346 126 S CA 0.368 58.638 58.200 0.116 0.000 1.034 126 S CB 1.478 64.828 63.200 0.250 0.000 0.879 126 S HN 0.443 nan 8.310 nan 0.000 0.528 127 R N 0.577 121.125 120.500 0.081 0.000 2.508 127 R HA 0.245 4.585 4.340 0.000 0.000 0.300 127 R C 0.362 176.697 176.300 0.059 0.000 0.970 127 R CA -0.206 55.931 56.100 0.062 0.000 1.102 127 R CB 0.307 30.631 30.300 0.040 0.000 1.246 127 R HN 0.830 nan 8.270 nan 0.000 0.539 128 R N -0.452 120.091 120.500 0.072 0.000 2.766 128 R HA 0.244 4.585 4.340 0.000 0.000 0.270 128 R C -0.726 175.582 176.300 0.013 0.000 1.035 128 R CA -0.803 55.315 56.100 0.030 0.000 0.911 128 R CB 0.355 30.643 30.300 -0.019 0.000 1.243 128 R HN -0.130 nan 8.270 nan 0.000 0.460 129 N N -0.059 118.601 118.700 -0.066 0.000 2.160 129 N HA 0.084 4.824 4.740 0.000 0.000 0.226 129 N C -0.620 174.730 175.510 -0.268 0.000 1.256 129 N CA -0.545 52.387 53.050 -0.197 0.000 0.890 129 N CB 0.531 38.964 38.487 -0.090 0.000 1.116 129 N HN 0.705 nan 8.380 nan 0.000 0.517 130 R N -1.166 119.162 120.500 -0.286 0.000 2.771 130 R HA 0.789 5.129 4.340 0.000 0.000 0.274 130 R C -1.735 174.422 176.300 -0.239 0.000 0.987 130 R CA -0.940 54.898 56.100 -0.438 0.000 0.908 130 R CB 2.007 31.807 30.300 -0.834 0.000 1.213 130 R HN -0.135 nan 8.270 nan 0.000 0.468 131 V N 1.474 121.273 119.914 -0.192 0.000 2.841 131 V HA 0.392 4.512 4.120 0.000 0.000 0.310 131 V C -0.885 175.102 176.094 -0.178 0.000 1.090 131 V CA -1.124 61.094 62.300 -0.137 0.000 0.930 131 V CB 2.385 34.133 31.823 -0.123 0.000 1.014 131 V HN 0.824 nan 8.190 nan 0.000 0.425 132 K N 4.111 124.277 120.400 -0.391 0.000 2.489 132 K HA 0.452 4.773 4.320 0.000 0.000 0.278 132 K C -0.060 176.447 176.600 -0.154 0.000 1.000 132 K CA 0.604 56.494 56.287 -0.661 0.000 1.012 132 K CB 0.749 32.504 32.500 -1.242 0.000 0.903 132 K HN 0.857 nan 8.250 nan 0.000 0.485 133 A N 3.264 126.056 122.820 -0.047 0.000 2.330 133 A HA 0.524 4.844 4.320 0.000 0.000 0.327 133 A C -1.132 176.717 177.584 0.442 0.000 1.155 133 A CA -0.802 51.343 52.037 0.181 0.000 0.803 133 A CB 0.439 19.469 19.000 0.050 0.000 1.208 133 A HN 0.693 nan 8.150 nan 0.000 0.477 134 Y N -0.113 120.389 120.300 0.337 0.000 2.509 134 Y HA 0.781 5.332 4.550 0.000 0.000 0.341 134 Y C 0.085 175.992 175.900 0.011 0.000 1.038 134 Y CA -1.283 56.878 58.100 0.102 0.000 1.089 134 Y CB 1.426 39.706 38.460 -0.301 0.000 1.241 134 Y HN 0.765 nan 8.280 nan 0.000 0.468 135 A N 2.240 125.038 122.820 -0.036 0.000 2.269 135 A HA 0.526 4.846 4.320 0.000 0.000 0.302 135 A C -0.290 177.424 177.584 0.216 0.000 1.266 135 A CA -0.392 51.573 52.037 -0.120 0.000 0.894 135 A CB 0.021 18.943 19.000 -0.131 0.000 1.147 135 A HN 0.721 nan 8.150 nan 0.000 0.537 136 S N 1.789 117.537 115.700 0.080 0.000 2.498 136 S HA 0.541 5.011 4.470 0.000 0.000 0.317 136 S C 1.095 175.745 174.600 0.084 0.000 1.090 136 S CA 0.060 58.361 58.200 0.168 0.000 1.089 136 S CB 1.057 64.290 63.200 0.056 0.000 0.997 136 S HN 1.031 nan 8.310 nan 0.000 0.470 137 G N 2.840 111.747 108.800 0.179 0.000 2.683 137 G HA2 0.165 4.125 3.960 0.000 0.000 0.213 137 G HA3 0.165 4.125 3.960 0.000 0.000 0.213 137 G C 0.612 175.557 174.900 0.075 0.000 1.142 137 G CA -0.226 44.868 45.100 -0.011 0.000 0.793 137 G HN 0.924 nan 8.290 nan 0.000 0.534 138 L N 1.567 122.872 121.223 0.137 0.000 3.833 138 L HA -0.181 4.159 4.340 0.000 0.000 0.447 138 L C 0.764 177.752 176.870 0.196 0.000 1.213 138 L CA 0.700 55.623 54.840 0.138 0.000 0.801 138 L CB -1.427 40.669 42.059 0.063 0.000 1.676 138 L HN 0.511 nan 8.230 nan 0.000 0.883 139 D N -1.248 119.320 120.400 0.279 0.000 2.369 139 D HA -0.058 4.583 4.640 0.000 0.000 0.211 139 D C 1.532 178.008 176.300 0.293 0.000 1.077 139 D CA -0.316 53.882 54.000 0.330 0.000 0.842 139 D CB 0.067 41.208 40.800 0.568 0.000 0.947 139 D HN 0.444 nan 8.370 nan 0.000 0.509 140 F N 2.435 122.427 119.950 0.069 0.000 2.115 140 F HA -0.251 4.276 4.527 0.000 0.000 0.300 140 F C 1.785 177.501 175.800 -0.139 0.000 1.092 140 F CA 1.687 59.628 58.000 -0.098 0.000 1.245 140 F CB -0.065 38.740 39.000 -0.325 0.000 0.995 140 F HN 0.089 nan 8.300 nan 0.000 0.481 141 H N -0.881 118.315 119.070 0.211 0.000 2.549 141 H HA 0.198 4.754 4.556 0.000 0.000 0.279 141 H C 0.079 175.447 175.328 0.066 0.000 1.018 141 H CA -0.359 55.758 56.048 0.113 0.000 1.175 141 H CB -0.007 29.855 29.762 0.166 0.000 1.485 141 H HN 0.086 nan 8.280 nan 0.000 0.543 142 L N 3.562 124.885 121.223 0.168 0.000 2.349 142 L HA 0.055 4.395 4.340 0.000 0.000 0.275 142 L C 0.398 177.315 176.870 0.079 0.000 1.115 142 L CA -0.524 54.400 54.840 0.140 0.000 0.820 142 L CB 0.756 42.928 42.059 0.188 0.000 1.135 142 L HN 0.181 nan 8.230 nan 0.000 0.445 143 D N 2.154 122.591 120.400 0.062 0.000 2.382 143 D HA -0.024 4.617 4.640 0.000 0.000 0.240 143 D C 0.515 176.841 176.300 0.044 0.000 1.146 143 D CA -0.392 53.622 54.000 0.022 0.000 0.897 143 D CB 0.515 41.325 40.800 0.016 0.000 1.197 143 D HN 0.442 nan 8.370 nan 0.000 0.432 144 D N 0.674 121.067 120.400 -0.011 0.000 2.191 144 D HA -0.260 4.381 4.640 0.000 0.000 0.190 144 D C 1.388 177.747 176.300 0.099 0.000 1.007 144 D CA 1.892 55.899 54.000 0.012 0.000 0.865 144 D CB -0.382 40.390 40.800 -0.046 0.000 0.929 144 D HN 0.721 nan 8.370 nan 0.000 0.447 145 D N -0.400 120.033 120.400 0.055 0.000 2.117 145 D HA -0.097 4.543 4.640 0.000 0.000 0.197 145 D C 1.837 178.173 176.300 0.061 0.000 0.987 145 D CA 1.739 55.769 54.000 0.049 0.000 0.829 145 D CB -0.040 40.772 40.800 0.019 0.000 0.961 145 D HN 0.170 nan 8.370 nan 0.000 0.460 146 A N -0.846 122.016 122.820 0.069 0.000 2.016 146 A HA -0.002 4.318 4.320 0.000 0.000 0.217 146 A C 1.963 179.593 177.584 0.076 0.000 1.162 146 A CA 0.555 52.617 52.037 0.042 0.000 0.662 146 A CB -0.948 18.070 19.000 0.031 0.000 0.812 146 A HN 0.461 nan 8.150 nan 0.000 0.450 147 F N 0.907 120.864 119.950 0.011 0.000 2.084 147 F HA -0.169 4.358 4.527 0.000 0.000 0.296 147 F C 2.312 178.191 175.800 0.131 0.000 1.111 147 F CA 2.204 60.259 58.000 0.091 0.000 1.224 147 F CB -0.236 38.820 39.000 0.092 0.000 0.991 147 F HN 0.118 nan 8.300 nan 0.000 0.471 148 V N -1.220 118.812 119.914 0.197 0.000 2.515 148 V HA -0.177 3.943 4.120 0.000 0.000 0.250 148 V C 2.339 178.407 176.094 -0.044 0.000 1.058 148 V CA 2.284 64.617 62.300 0.055 0.000 1.064 148 V CB -1.082 30.796 31.823 0.090 0.000 0.675 148 V HN 0.506 nan 8.190 nan 0.000 0.461 149 S N 0.133 115.804 115.700 -0.048 0.000 2.356 149 S HA -0.187 4.283 4.470 0.000 0.000 0.223 149 S C 2.017 176.514 174.600 -0.172 0.000 1.032 149 S CA 2.050 60.197 58.200 -0.088 0.000 1.005 149 S CB -0.628 62.524 63.200 -0.080 0.000 0.867 149 S HN 0.748 nan 8.310 nan 0.000 0.449 150 L N -0.444 120.605 121.223 -0.290 0.000 2.017 150 L HA -0.020 4.320 4.340 0.000 0.000 0.208 150 L C 2.111 178.609 176.870 -0.621 0.000 1.073 150 L CA 1.856 56.377 54.840 -0.532 0.000 0.745 150 L CB -0.438 41.211 42.059 -0.682 0.000 0.894 150 L HN 0.351 nan 8.230 nan 0.000 0.432 151 F N 0.165 119.867 119.950 -0.413 0.000 2.146 151 F HA -0.156 4.371 4.527 0.000 0.000 0.298 151 F C 2.737 178.360 175.800 -0.295 0.000 1.096 151 F CA 1.446 59.200 58.000 -0.410 0.000 1.275 151 F CB -0.858 37.768 39.000 -0.622 0.000 1.008 151 F HN 0.102 nan 8.300 nan 0.000 0.480 152 S N -1.180 114.473 115.700 -0.078 0.000 2.383 152 S HA -0.294 4.176 4.470 0.000 0.000 0.229 152 S C 2.002 176.608 174.600 0.009 0.000 1.030 152 S CA 1.580 59.755 58.200 -0.042 0.000 1.002 152 S CB -0.941 62.245 63.200 -0.024 0.000 0.829 152 S HN 0.535 nan 8.310 nan 0.000 0.467 153 H N 1.589 120.581 119.070 -0.130 0.000 2.353 153 H HA -0.043 4.513 4.556 0.001 0.000 0.300 153 H C 2.330 177.650 175.328 -0.014 0.000 1.090 153 H CA 1.366 57.352 56.048 -0.105 0.000 1.327 153 H CB -0.276 29.364 29.762 -0.203 0.000 1.383 153 H HN 0.440 nan 8.280 nan 0.000 0.508 154 A N 1.179 123.921 122.820 -0.130 0.000 1.877 154 A HA -0.094 4.227 4.320 0.000 0.000 0.216 154 A C 2.663 180.476 177.584 0.381 0.000 1.186 154 A CA 1.659 53.754 52.037 0.095 0.000 0.620 154 A CB -1.059 17.981 19.000 0.067 0.000 0.822 154 A HN 0.570 nan 8.150 nan 0.000 0.443 155 A N 0.339 123.356 122.820 0.329 0.000 1.933 155 A HA -0.097 4.223 4.320 0.000 0.000 0.218 155 A C 2.493 180.187 177.584 0.183 0.000 1.175 155 A CA 2.343 54.583 52.037 0.337 0.000 0.628 155 A CB -0.977 18.100 19.000 0.130 0.000 0.814 155 A HN 1.037 nan 8.150 nan 0.000 0.444 156 S N 0.650 116.401 115.700 0.084 0.000 2.423 156 S HA -0.112 4.358 4.470 0.000 0.000 0.231 156 S C 1.562 176.180 174.600 0.030 0.000 1.014 156 S CA 1.197 59.425 58.200 0.047 0.000 0.965 156 S CB -0.820 62.403 63.200 0.038 0.000 0.785 156 S HN 0.898 nan 8.310 nan 0.000 0.495 157 I N -2.532 118.044 120.570 0.011 0.000 3.810 157 I HA 0.594 4.764 4.170 0.000 0.000 0.322 157 I C 1.299 177.430 176.117 0.023 0.000 1.288 157 I CA 0.133 61.440 61.300 0.011 0.000 1.143 157 I CB -0.478 37.506 38.000 -0.026 0.000 1.012 157 I HN 0.396 nan 8.210 nan 0.000 0.423 158 G N 0.466 109.310 108.800 0.074 0.000 2.179 158 G HA2 -0.272 3.689 3.960 0.000 0.000 0.220 158 G HA3 -0.272 3.689 3.960 0.000 0.000 0.220 158 G C -0.068 174.813 174.900 -0.032 0.000 0.990 158 G CA -0.435 44.676 45.100 0.018 0.000 0.646 158 G HN 0.435 nan 8.290 nan 0.000 0.517 159 Y N 1.441 121.791 120.300 0.084 0.000 2.597 159 Y HA 0.318 4.868 4.550 0.000 0.000 0.336 159 Y C 1.775 177.660 175.900 -0.025 0.000 1.216 159 Y CA 1.222 59.314 58.100 -0.014 0.000 1.463 159 Y CB 1.190 39.638 38.460 -0.021 0.000 1.303 159 Y HN 0.367 nan 8.280 nan 0.000 0.576 160 S N -0.041 115.620 115.700 -0.064 0.000 2.787 160 S HA 0.660 5.131 4.470 0.000 0.000 0.255 160 S C -0.023 174.456 174.600 -0.201 0.000 1.051 160 S CA -0.014 58.194 58.200 0.014 0.000 1.124 160 S CB 0.205 63.463 63.200 0.097 0.000 1.104 160 S HN 0.649 nan 8.310 nan 0.000 0.623 161 A N 1.032 123.488 122.820 -0.607 0.000 2.414 161 A HA 0.840 5.161 4.320 0.000 0.000 0.306 161 A C -1.505 175.512 177.584 -0.946 0.000 1.054 161 A CA -0.604 51.044 52.037 -0.648 0.000 0.724 161 A CB 1.060 19.649 19.000 -0.685 0.000 1.267 161 A HN 0.333 nan 8.150 nan 0.000 0.418 162 F N 0.702 120.587 119.950 -0.109 0.000 2.561 162 F HA 0.589 5.116 4.527 0.000 0.000 0.313 162 F C 0.049 175.772 175.800 -0.128 0.000 1.126 162 F CA -0.483 57.517 58.000 -0.000 0.000 0.918 162 F CB 2.603 41.552 39.000 -0.085 0.000 1.199 162 F HN 0.564 nan 8.300 nan 0.000 0.444 163 K N 5.012 125.538 120.400 0.210 0.000 2.376 163 K HA 0.785 5.105 4.320 0.000 0.000 0.257 163 K C -1.215 175.519 176.600 0.224 0.000 0.939 163 K CA -0.591 55.749 56.287 0.088 0.000 0.809 163 K CB 1.567 34.127 32.500 0.099 0.000 1.121 163 K HN 0.772 nan 8.250 nan 0.000 0.425 164 I N 0.176 120.819 120.570 0.123 0.000 2.740 164 I HA 0.537 4.707 4.170 0.000 0.000 0.303 164 I C -0.769 175.461 176.117 0.189 0.000 1.044 164 I CA -1.061 60.371 61.300 0.219 0.000 1.064 164 I CB 1.847 39.942 38.000 0.158 0.000 1.249 164 I HN 0.300 nan 8.210 nan 0.000 0.433 165 K N 4.034 124.584 120.400 0.250 0.000 2.174 165 K HA 0.619 4.939 4.320 0.000 0.000 0.275 165 K C -0.206 176.546 176.600 0.253 0.000 1.015 165 K CA -0.411 56.006 56.287 0.217 0.000 0.933 165 K CB 2.325 34.985 32.500 0.268 0.000 1.025 165 K HN 0.701 nan 8.250 nan 0.000 0.463 166 V N -3.098 116.916 119.914 0.167 0.000 3.069 166 V HA 0.850 4.970 4.120 0.000 0.000 0.312 166 V C 0.533 176.689 176.094 0.103 0.000 1.369 166 V CA -0.190 62.251 62.300 0.235 0.000 1.047 166 V CB 1.144 33.087 31.823 0.199 0.000 1.098 166 V HN 0.845 nan 8.190 nan 0.000 0.473 167 G N -0.543 108.364 108.800 0.177 0.000 2.138 167 G HA2 -0.139 3.821 3.960 0.000 0.000 0.193 167 G HA3 -0.139 3.821 3.960 0.000 0.000 0.193 167 G C 0.019 175.063 174.900 0.241 0.000 0.998 167 G CA 0.148 45.263 45.100 0.024 0.000 0.668 167 G HN 1.204 nan 8.290 nan 0.000 0.516 168 H N 0.089 119.436 119.070 0.462 0.000 2.928 168 H HA 0.199 4.755 4.556 0.000 0.000 0.338 168 H C 1.856 177.365 175.328 0.302 0.000 1.047 168 H CA 0.660 56.928 56.048 0.367 0.000 1.435 168 H CB 0.835 30.701 29.762 0.173 0.000 1.428 168 H HN 0.267 nan 8.280 nan 0.000 0.590 169 R N 0.891 121.587 120.500 0.327 0.000 2.119 169 R HA -0.168 4.172 4.340 0.000 0.000 0.246 169 R C 0.280 176.724 176.300 0.241 0.000 1.146 169 R CA 1.710 57.954 56.100 0.241 0.000 0.962 169 R CB 0.010 30.415 30.300 0.175 0.000 0.863 169 R HN 0.552 nan 8.270 nan 0.000 0.442 170 D N -0.471 120.074 120.400 0.241 0.000 2.396 170 D HA -0.048 4.592 4.640 0.000 0.000 0.225 170 D C 0.365 176.805 176.300 0.234 0.000 1.121 170 D CA -0.319 53.789 54.000 0.181 0.000 0.853 170 D CB 0.466 41.318 40.800 0.086 0.000 1.043 170 D HN -0.046 nan 8.370 nan 0.000 0.500 171 F N 3.524 123.529 119.950 0.092 0.000 2.250 171 F HA -0.150 4.377 4.527 0.000 0.000 0.301 171 F C 1.406 177.230 175.800 0.040 0.000 1.077 171 F CA 1.216 59.272 58.000 0.093 0.000 1.348 171 F CB 0.120 39.143 39.000 0.038 0.000 1.040 171 F HN 0.371 nan 8.300 nan 0.000 0.509 172 D N -0.035 120.305 120.400 -0.100 0.000 2.178 172 D HA -0.157 4.483 4.640 0.000 0.000 0.201 172 D C 2.399 178.551 176.300 -0.246 0.000 0.980 172 D CA 0.714 54.578 54.000 -0.227 0.000 0.842 172 D CB -0.284 40.441 40.800 -0.125 0.000 0.948 172 D HN 0.310 nan 8.370 nan 0.000 0.472 173 R N 0.787 121.161 120.500 -0.210 0.000 2.083 173 R HA -0.135 4.205 4.340 0.000 0.000 0.237 173 R C 1.628 177.746 176.300 -0.304 0.000 1.137 173 R CA 1.148 57.038 56.100 -0.350 0.000 0.951 173 R CB -0.431 29.497 30.300 -0.620 0.000 0.851 173 R HN 0.245 nan 8.270 nan 0.000 0.434 174 D N 0.756 121.075 120.400 -0.134 0.000 2.092 174 D HA -0.142 4.498 4.640 0.000 0.000 0.193 174 D C 2.122 178.273 176.300 -0.248 0.000 0.994 174 D CA 1.040 55.009 54.000 -0.052 0.000 0.828 174 D CB -0.372 40.569 40.800 0.234 0.000 0.963 174 D HN 0.166 nan 8.370 nan 0.000 0.450 175 L N 0.169 121.129 121.223 -0.439 0.000 2.046 175 L HA -0.121 4.219 4.340 0.000 0.000 0.208 175 L C 2.618 179.324 176.870 -0.273 0.000 1.077 175 L CA 0.949 55.554 54.840 -0.392 0.000 0.747 175 L CB -0.327 41.457 42.059 -0.458 0.000 0.896 175 L HN -0.029 nan 8.230 nan 0.000 0.432 176 R N 0.119 120.461 120.500 -0.265 0.000 2.096 176 R HA -0.196 4.145 4.340 0.000 0.000 0.235 176 R C 2.433 178.579 176.300 -0.258 0.000 1.127 176 R CA 1.316 57.281 56.100 -0.225 0.000 0.968 176 R CB -0.016 30.146 30.300 -0.230 0.000 0.861 176 R HN 0.086 nan 8.270 nan 0.000 0.440 177 R N 0.197 120.497 120.500 -0.333 0.000 2.092 177 R HA -0.005 4.335 4.340 0.000 0.000 0.231 177 R C 2.089 178.212 176.300 -0.296 0.000 1.119 177 R CA 1.215 57.050 56.100 -0.442 0.000 0.970 177 R CB -0.327 29.683 30.300 -0.483 0.000 0.864 177 R HN 0.232 nan 8.270 nan 0.000 0.440 178 L N -0.100 120.949 121.223 -0.289 0.000 2.141 178 L HA -0.105 4.235 4.340 0.000 0.000 0.209 178 L C 2.059 178.792 176.870 -0.229 0.000 1.094 178 L CA 1.379 56.006 54.840 -0.355 0.000 0.763 178 L CB -0.278 41.346 42.059 -0.725 0.000 0.908 178 L HN 0.252 nan 8.230 nan 0.000 0.437 179 E N -0.340 119.776 120.200 -0.141 0.000 2.110 179 E HA -0.243 4.108 4.350 0.000 0.000 0.193 179 E C 2.076 178.667 176.600 -0.015 0.000 0.988 179 E CA 0.912 57.317 56.400 0.008 0.000 0.804 179 E CB -0.033 29.657 29.700 -0.015 0.000 0.745 179 E HN 0.207 nan 8.360 nan 0.000 0.458 180 L N 0.681 121.873 121.223 -0.052 0.000 2.027 180 L HA -0.122 4.218 4.340 0.000 0.000 0.206 180 L C 2.189 179.123 176.870 0.107 0.000 1.074 180 L CA 1.199 56.050 54.840 0.018 0.000 0.745 180 L CB -0.634 41.401 42.059 -0.040 0.000 0.898 180 L HN 0.163 nan 8.230 nan 0.000 0.433 181 L N -0.003 121.300 121.223 0.132 0.000 2.043 181 L HA -0.274 4.066 4.340 0.000 0.000 0.212 181 L C 2.574 179.366 176.870 -0.130 0.000 1.075 181 L CA 2.199 57.006 54.840 -0.056 0.000 0.752 181 L CB -0.705 41.256 42.059 -0.163 0.000 0.891 181 L HN 0.352 nan 8.230 nan 0.000 0.432 182 K N -1.187 119.181 120.400 -0.053 0.000 2.097 182 K HA -0.169 4.152 4.320 0.000 0.000 0.206 182 K C 1.935 178.509 176.600 -0.044 0.000 1.049 182 K CA 1.713 57.982 56.287 -0.030 0.000 0.933 182 K CB -0.288 32.242 32.500 0.050 0.000 0.717 182 K HN 0.626 nan 8.250 nan 0.000 0.442 183 T N -1.703 112.833 114.554 -0.030 0.000 3.007 183 T HA -0.106 4.245 4.350 0.000 0.000 0.270 183 T C 1.854 176.525 174.700 -0.048 0.000 1.107 183 T CA 0.904 62.987 62.100 -0.029 0.000 1.118 183 T CB -0.788 68.072 68.868 -0.013 0.000 0.889 183 T HN 0.466 nan 8.240 nan 0.000 0.506 184 C N 0.962 120.210 119.300 -0.087 0.000 3.000 184 C HA 0.772 5.232 4.460 0.000 0.000 0.286 184 C C 0.387 175.269 174.990 -0.179 0.000 1.343 184 C CA -0.793 58.159 59.018 -0.110 0.000 1.742 184 C CB -1.288 26.395 27.740 -0.095 0.000 2.200 184 C HN 0.500 nan 8.230 nan 0.000 0.621 185 V N -3.574 116.213 119.914 -0.212 0.000 2.962 185 V HA 0.785 4.905 4.120 0.000 0.000 0.313 185 V C -3.085 172.953 176.094 -0.093 0.000 1.099 185 V CA -2.304 59.838 62.300 -0.263 0.000 0.971 185 V CB 0.900 32.325 31.823 -0.662 0.000 1.028 185 V HN -0.051 nan 8.190 nan 0.000 0.430 186 P HA 0.332 nan 4.420 nan 0.000 0.267 186 P C 0.022 177.346 177.300 0.040 0.000 1.200 186 P CA 0.438 63.560 63.100 0.036 0.000 0.772 186 P CB 0.328 32.079 31.700 0.084 0.000 0.855 187 A N 2.397 125.235 122.820 0.030 0.000 2.498 187 A HA 0.425 4.745 4.320 0.000 0.000 0.239 187 A C 1.497 179.112 177.584 0.051 0.000 1.068 187 A CA 0.646 52.701 52.037 0.030 0.000 0.766 187 A CB -1.148 17.863 19.000 0.019 0.000 1.003 187 A HN 0.923 nan 8.150 nan 0.000 0.497 188 G N 1.234 110.065 108.800 0.053 0.000 2.157 188 G HA2 -0.197 3.763 3.960 0.000 0.000 0.248 188 G HA3 -0.197 3.763 3.960 0.000 0.000 0.248 188 G C 0.482 175.437 174.900 0.092 0.000 0.979 188 G CA 0.373 45.512 45.100 0.065 0.000 0.650 188 G HN 1.137 nan 8.290 nan 0.000 0.529 189 S N 0.197 115.969 115.700 0.120 0.000 2.576 189 S HA 0.483 4.953 4.470 0.000 0.000 0.276 189 S C 0.572 175.247 174.600 0.125 0.000 1.339 189 S CA -0.041 58.275 58.200 0.193 0.000 1.039 189 S CB 1.062 64.461 63.200 0.331 0.000 0.902 189 S HN 0.428 nan 8.310 nan 0.000 0.516 190 K N 1.543 121.983 120.400 0.068 0.000 2.249 190 K HA 0.458 4.778 4.320 0.000 0.000 0.280 190 K C -1.010 175.519 176.600 -0.119 0.000 1.033 190 K CA -0.181 56.058 56.287 -0.081 0.000 0.946 190 K CB 0.831 33.204 32.500 -0.211 0.000 1.005 190 K HN 0.261 nan 8.250 nan 0.000 0.469 191 V N 4.971 124.788 119.914 -0.161 0.000 2.540 191 V HA 0.463 4.583 4.120 0.000 0.000 0.302 191 V C -0.720 175.177 176.094 -0.329 0.000 1.035 191 V CA -0.951 61.244 62.300 -0.175 0.000 0.873 191 V CB 1.545 33.331 31.823 -0.063 0.000 0.992 191 V HN 0.697 nan 8.190 nan 0.000 0.428 192 M N 6.276 125.614 119.600 -0.437 0.000 2.535 192 M HA 0.743 5.223 4.480 0.000 0.000 0.314 192 M C -0.750 175.423 176.300 -0.212 0.000 1.153 192 M CA -1.165 53.843 55.300 -0.487 0.000 0.924 192 M CB 1.316 33.233 32.600 -1.140 0.000 1.710 192 M HN 0.624 nan 8.290 nan 0.000 0.451 193 I N -1.258 119.264 120.570 -0.080 0.000 2.740 193 I HA 0.814 4.984 4.170 0.000 0.000 0.303 193 I C -1.161 174.980 176.117 0.040 0.000 1.044 193 I CA -0.533 60.775 61.300 0.013 0.000 1.064 193 I CB 2.436 40.480 38.000 0.075 0.000 1.249 193 I HN 0.595 nan 8.210 nan 0.000 0.433 194 D N 4.977 125.387 120.400 0.016 0.000 2.346 194 D HA 0.404 5.044 4.640 0.000 0.000 0.255 194 D C -2.241 173.976 176.300 -0.139 0.000 1.276 194 D CA -2.012 51.980 54.000 -0.012 0.000 0.941 194 D CB 1.999 42.834 40.800 0.057 0.000 1.199 194 D HN 0.255 nan 8.370 nan 0.000 0.537 195 P HA -0.008 nan 4.420 nan 0.000 0.233 195 P C 0.248 177.296 177.300 -0.420 0.000 1.167 195 P CA 0.180 62.913 63.100 -0.612 0.000 0.770 195 P CB -0.057 30.842 31.700 -1.335 0.000 0.837 196 N N 1.285 119.849 118.700 -0.226 0.000 2.699 196 N HA -0.244 4.496 4.740 0.000 0.000 0.256 196 N C -0.476 174.958 175.510 -0.127 0.000 0.993 196 N CA 0.944 53.933 53.050 -0.101 0.000 0.759 196 N CB -0.872 37.584 38.487 -0.052 0.000 0.906 196 N HN 0.291 nan 8.380 nan 0.000 0.541 197 E N -4.248 115.858 120.200 -0.157 0.000 3.763 197 E HA -0.269 4.082 4.350 0.000 0.000 0.319 197 E C 0.801 177.311 176.600 -0.149 0.000 0.804 197 E CA 0.817 57.140 56.400 -0.129 0.000 1.196 197 E CB -1.660 27.973 29.700 -0.113 0.000 1.607 197 E HN 0.635 nan 8.360 nan 0.000 0.431 198 A N -0.157 122.507 122.820 -0.259 0.000 2.119 198 A HA -0.056 4.264 4.320 0.000 0.000 0.217 198 A C 0.569 178.173 177.584 0.033 0.000 1.153 198 A CA 0.682 52.605 52.037 -0.190 0.000 0.692 198 A CB -0.103 18.719 19.000 -0.296 0.000 0.799 198 A HN 0.305 nan 8.150 nan 0.000 0.458 199 W N 0.269 121.551 121.300 -0.031 0.000 2.516 199 W HA 0.497 5.157 4.660 0.000 0.000 0.343 199 W C 0.487 176.982 176.519 -0.040 0.000 1.094 199 W CA -0.745 56.579 57.345 -0.035 0.000 1.250 199 W CB 0.227 29.668 29.460 -0.033 0.000 1.308 199 W HN 0.141 nan 8.180 nan 0.000 0.588 200 T N -1.874 112.795 114.554 0.191 0.000 2.847 200 T HA 0.204 4.554 4.350 0.000 0.000 0.279 200 T C 1.372 176.119 174.700 0.079 0.000 0.984 200 T CA 0.070 62.225 62.100 0.091 0.000 0.988 200 T CB 1.178 70.070 68.868 0.040 0.000 1.040 200 T HN 0.384 nan 8.240 nan 0.000 0.528 201 S N 0.703 116.430 115.700 0.045 0.000 2.353 201 S HA -0.201 4.269 4.470 0.000 0.000 0.222 201 S C 1.917 176.519 174.600 0.004 0.000 1.035 201 S CA 1.214 59.434 58.200 0.034 0.000 1.025 201 S CB -0.660 62.551 63.200 0.017 0.000 0.902 201 S HN 0.696 nan 8.310 nan 0.000 0.440 202 K N 1.641 122.030 120.400 -0.018 0.000 2.167 202 K HA 0.096 4.416 4.320 0.000 0.000 0.203 202 K C 2.213 178.751 176.600 -0.104 0.000 1.052 202 K CA 1.488 57.749 56.287 -0.043 0.000 0.956 202 K CB -0.589 31.892 32.500 -0.032 0.000 0.735 202 K HN 0.657 nan 8.250 nan 0.000 0.451 203 E N -0.201 119.918 120.200 -0.135 0.000 2.058 203 E HA -0.237 4.114 4.350 0.000 0.000 0.194 203 E C 1.734 178.054 176.600 -0.467 0.000 0.997 203 E CA 1.340 57.570 56.400 -0.282 0.000 0.801 203 E CB -0.216 29.339 29.700 -0.241 0.000 0.746 203 E HN 0.343 nan 8.360 nan 0.000 0.450 204 A N 1.180 123.841 122.820 -0.265 0.000 1.883 204 A HA -0.198 4.122 4.320 0.000 0.000 0.217 204 A C 2.164 179.650 177.584 -0.163 0.000 1.186 204 A CA 1.578 53.516 52.037 -0.166 0.000 0.624 204 A CB -0.730 18.425 19.000 0.258 0.000 0.822 204 A HN 0.409 nan 8.150 nan 0.000 0.444 205 L N 0.471 121.646 121.223 -0.079 0.000 2.056 205 L HA -0.100 4.241 4.340 0.000 0.000 0.207 205 L C 2.723 179.583 176.870 -0.017 0.000 1.078 205 L CA 3.028 57.867 54.840 -0.002 0.000 0.749 205 L CB -1.196 40.874 42.059 0.020 0.000 0.901 205 L HN 0.586 nan 8.230 nan 0.000 0.433 206 T N -3.403 111.072 114.554 -0.132 0.000 2.821 206 T HA -0.197 4.154 4.350 0.000 0.000 0.267 206 T C 1.921 176.484 174.700 -0.228 0.000 1.046 206 T CA 1.436 63.448 62.100 -0.146 0.000 1.139 206 T CB -0.421 68.340 68.868 -0.178 0.000 0.871 206 T HN 0.348 nan 8.240 nan 0.000 0.454 207 K N 0.889 120.997 120.400 -0.486 0.000 2.097 207 K HA 0.147 4.467 4.320 0.000 0.000 0.205 207 K C 2.295 178.830 176.600 -0.108 0.000 1.050 207 K CA 1.118 57.025 56.287 -0.633 0.000 0.938 207 K CB -0.427 31.226 32.500 -1.411 0.000 0.718 207 K HN 0.332 nan 8.250 nan 0.000 0.442 208 L N 0.497 121.720 121.223 0.000 0.000 2.083 208 L HA -0.182 4.158 4.340 0.000 0.000 0.209 208 L C 2.285 179.352 176.870 0.328 0.000 1.083 208 L CA 0.772 55.787 54.840 0.292 0.000 0.752 208 L CB -0.474 41.817 42.059 0.386 0.000 0.899 208 L HN -0.015 nan 8.230 nan 0.000 0.433 209 V N 0.186 120.230 119.914 0.216 0.000 2.295 209 V HA -0.312 3.808 4.120 0.000 0.000 0.246 209 V C 2.766 178.850 176.094 -0.018 0.000 1.049 209 V CA 1.948 64.254 62.300 0.010 0.000 1.024 209 V CB -0.896 30.925 31.823 -0.004 0.000 0.648 209 V HN 0.493 nan 8.190 nan 0.000 0.447 210 A N -0.478 122.378 122.820 0.060 0.000 1.972 210 A HA -0.164 4.156 4.320 0.000 0.000 0.219 210 A C 2.173 179.858 177.584 0.167 0.000 1.169 210 A CA 1.813 53.925 52.037 0.124 0.000 0.635 210 A CB -0.552 18.598 19.000 0.250 0.000 0.810 210 A HN 0.522 nan 8.150 nan 0.000 0.446 211 I N -1.034 119.679 120.570 0.239 0.000 2.252 211 I HA -0.231 3.939 4.170 0.000 0.000 0.245 211 I C 2.663 178.886 176.117 0.177 0.000 1.102 211 I CA 1.573 63.028 61.300 0.259 0.000 1.385 211 I CB -0.221 37.962 38.000 0.304 0.000 1.064 211 I HN 0.402 nan 8.210 nan 0.000 0.414 212 R N 1.293 121.829 120.500 0.059 0.000 2.073 212 R HA -0.203 4.137 4.340 0.000 0.000 0.234 212 R C 2.033 178.259 176.300 -0.124 0.000 1.134 212 R CA 1.802 57.842 56.100 -0.101 0.000 0.952 212 R CB -0.179 29.849 30.300 -0.454 0.000 0.850 212 R HN 0.362 nan 8.270 nan 0.000 0.433 213 E N -0.271 119.860 120.200 -0.115 0.000 2.204 213 E HA -0.116 4.235 4.350 0.000 0.000 0.194 213 E C 1.458 178.007 176.600 -0.086 0.000 0.989 213 E CA 0.863 57.199 56.400 -0.108 0.000 0.824 213 E CB 0.042 29.688 29.700 -0.090 0.000 0.756 213 E HN 0.487 nan 8.360 nan 0.000 0.477 214 A N 0.522 123.309 122.820 -0.055 0.000 2.259 214 A HA 0.247 4.567 4.320 0.000 0.000 0.208 214 A C 1.486 178.891 177.584 -0.298 0.000 1.201 214 A CA 0.656 52.637 52.037 -0.094 0.000 0.824 214 A CB -0.412 18.610 19.000 0.038 0.000 0.838 214 A HN 0.279 nan 8.150 nan 0.000 0.485 215 G N -0.110 108.544 108.800 -0.242 0.000 2.225 215 G HA2 -0.200 3.760 3.960 0.000 0.000 0.264 215 G HA3 -0.200 3.760 3.960 0.000 0.000 0.264 215 G C -0.253 174.416 174.900 -0.384 0.000 1.060 215 G CA 0.212 45.144 45.100 -0.279 0.000 0.833 215 G HN 0.723 nan 8.290 nan 0.000 0.498 216 H N 0.841 119.904 119.070 -0.012 0.000 2.638 216 H HA 0.300 4.856 4.556 0.000 0.000 0.317 216 H C -0.711 174.638 175.328 0.035 0.000 1.006 216 H CA -0.737 55.315 56.048 0.007 0.000 1.222 216 H CB 1.138 30.908 29.762 0.014 0.000 1.419 216 H HN 0.289 nan 8.280 nan 0.000 0.489 217 D N 4.675 125.154 120.400 0.132 0.000 2.313 217 D HA 0.181 4.821 4.640 0.000 0.000 0.239 217 D C 0.403 176.772 176.300 0.116 0.000 1.142 217 D CA -0.299 53.776 54.000 0.124 0.000 0.847 217 D CB 2.002 42.853 40.800 0.085 0.000 1.082 217 D HN 0.345 nan 8.370 nan 0.000 0.480 218 L N 2.520 123.835 121.223 0.154 0.000 2.312 218 L HA 0.155 4.495 4.340 0.000 0.000 0.281 218 L C 1.409 178.304 176.870 0.041 0.000 1.070 218 L CA -0.678 54.213 54.840 0.084 0.000 0.805 218 L CB 1.588 43.729 42.059 0.136 0.000 1.174 218 L HN 0.251 nan 8.230 nan 0.000 0.434 219 L N 3.378 124.543 121.223 -0.097 0.000 2.102 219 L HA 0.142 4.482 4.340 0.000 0.000 0.202 219 L C -0.123 176.762 176.870 0.025 0.000 1.076 219 L CA 1.193 55.966 54.840 -0.111 0.000 0.761 219 L CB 0.128 41.977 42.059 -0.350 0.000 0.921 219 L HN 0.701 nan 8.230 nan 0.000 0.444 220 W N -2.609 118.615 121.300 -0.127 0.000 3.137 220 W HA 0.569 5.230 4.660 0.000 0.000 0.324 220 W C -1.888 174.589 176.519 -0.070 0.000 1.253 220 W CA -1.797 55.485 57.345 -0.104 0.000 1.183 220 W CB 0.291 29.669 29.460 -0.137 0.000 1.424 220 W HN -0.221 nan 8.180 nan 0.000 0.566 221 V N 2.107 122.210 119.914 0.315 0.000 2.417 221 V HA 0.523 4.643 4.120 0.000 0.000 0.291 221 V C -0.768 175.449 176.094 0.205 0.000 1.024 221 V CA -0.499 61.946 62.300 0.241 0.000 0.861 221 V CB 1.252 33.194 31.823 0.198 0.000 0.985 221 V HN 0.719 nan 8.190 nan 0.000 0.436 222 E N 4.360 124.677 120.200 0.195 0.000 2.179 222 E HA 0.336 4.686 4.350 0.000 0.000 0.275 222 E C -0.473 176.136 176.600 0.015 0.000 0.945 222 E CA -0.542 55.914 56.400 0.092 0.000 0.792 222 E CB 0.949 30.770 29.700 0.202 0.000 1.125 222 E HN 0.834 nan 8.360 nan 0.000 0.397 223 D N 4.811 125.200 120.400 -0.017 0.000 2.779 223 D HA -0.161 4.479 4.640 0.000 0.000 0.223 223 D C -1.715 174.559 176.300 -0.044 0.000 1.227 223 D CA 0.262 54.254 54.000 -0.013 0.000 0.653 223 D CB -0.448 40.362 40.800 0.017 0.000 0.973 223 D HN 0.476 nan 8.370 nan 0.000 0.402 224 P HA -0.064 nan 4.420 nan 0.000 0.221 224 P C 1.107 178.404 177.300 -0.004 0.000 1.150 224 P CA 1.033 64.118 63.100 -0.024 0.000 0.800 224 P CB 0.223 32.027 31.700 0.174 0.000 0.787 225 I N -5.908 114.669 120.570 0.012 0.000 3.279 225 I HA 0.428 4.599 4.170 0.000 0.000 0.315 225 I C -0.729 175.358 176.117 -0.049 0.000 1.187 225 I CA -2.078 59.232 61.300 0.016 0.000 0.953 225 I CB 1.138 39.170 38.000 0.054 0.000 1.279 225 I HN -0.382 nan 8.210 nan 0.000 0.465 226 L N 3.376 124.549 121.223 -0.084 0.000 2.667 226 L HA 0.031 4.371 4.340 0.000 0.000 0.278 226 L C 1.951 178.666 176.870 -0.259 0.000 1.217 226 L CA 0.703 55.421 54.840 -0.204 0.000 0.935 226 L CB 0.110 42.054 42.059 -0.192 0.000 1.193 226 L HN 0.845 nan 8.230 nan 0.000 0.493 227 R N 3.031 123.333 120.500 -0.329 0.000 2.200 227 R HA -0.184 4.156 4.340 0.000 0.000 0.234 227 R C 0.491 176.687 176.300 -0.173 0.000 1.127 227 R CA 2.100 58.089 56.100 -0.185 0.000 0.989 227 R CB -0.636 29.631 30.300 -0.055 0.000 0.869 227 R HN 0.922 nan 8.270 nan 0.000 0.459 228 H N -1.464 117.555 119.070 -0.085 0.000 2.586 228 H HA 0.251 4.808 4.556 0.000 0.000 0.273 228 H C -0.222 174.899 175.328 -0.346 0.000 0.997 228 H CA -0.356 55.532 56.048 -0.267 0.000 1.177 228 H CB 0.036 29.663 29.762 -0.225 0.000 1.471 228 H HN 0.094 nan 8.280 nan 0.000 0.538 229 D N 1.350 121.681 120.400 -0.114 0.000 2.671 229 D HA -0.028 4.612 4.640 0.000 0.000 0.228 229 D C 0.569 176.883 176.300 0.024 0.000 1.102 229 D CA 0.106 54.077 54.000 -0.048 0.000 1.044 229 D CB -0.512 40.273 40.800 -0.024 0.000 1.113 229 D HN 0.585 nan 8.370 nan 0.000 0.480 230 H N 0.144 119.228 119.070 0.023 0.000 2.319 230 H HA -0.156 4.400 4.556 0.001 0.000 0.299 230 H C 1.466 176.789 175.328 -0.008 0.000 1.092 230 H CA 1.265 57.316 56.048 0.005 0.000 1.302 230 H CB 0.300 30.070 29.762 0.013 0.000 1.373 230 H HN 0.355 nan 8.280 nan 0.000 0.497 231 D N -0.066 120.408 120.400 0.124 0.000 2.123 231 D HA -0.130 4.511 4.640 0.000 0.000 0.196 231 D C 2.490 178.803 176.300 0.022 0.000 0.992 231 D CA 1.404 55.441 54.000 0.061 0.000 0.833 231 D CB -0.388 40.441 40.800 0.049 0.000 0.954 231 D HN 0.393 nan 8.370 nan 0.000 0.455 232 G N -0.029 108.785 108.800 0.022 0.000 2.402 232 G HA2 -0.177 3.783 3.960 0.000 0.000 0.216 232 G HA3 -0.177 3.783 3.960 0.000 0.000 0.216 232 G C 1.698 176.591 174.900 -0.012 0.000 1.162 232 G CA 0.430 45.534 45.100 0.006 0.000 0.777 232 G HN 0.315 nan 8.290 nan 0.000 0.539 233 L N -0.287 120.936 121.223 -0.000 0.000 2.046 233 L HA -0.025 4.316 4.340 0.000 0.000 0.208 233 L C 3.194 179.999 176.870 -0.109 0.000 1.077 233 L CA 0.861 55.685 54.840 -0.027 0.000 0.747 233 L CB -0.274 41.793 42.059 0.013 0.000 0.896 233 L HN 0.148 nan 8.230 nan 0.000 0.432 234 R N -0.754 119.663 120.500 -0.138 0.000 2.081 234 R HA -0.131 4.209 4.340 0.000 0.000 0.235 234 R C 2.257 178.245 176.300 -0.519 0.000 1.131 234 R CA 1.902 57.787 56.100 -0.358 0.000 0.960 234 R CB -0.667 29.493 30.300 -0.234 0.000 0.856 234 R HN 0.349 nan 8.270 nan 0.000 0.436 235 T N 1.918 116.341 114.554 -0.217 0.000 2.684 235 T HA -0.111 4.239 4.350 0.000 0.000 0.267 235 T C 1.949 176.588 174.700 -0.101 0.000 1.036 235 T CA 1.126 63.163 62.100 -0.104 0.000 1.148 235 T CB -0.211 68.642 68.868 -0.024 0.000 0.863 235 T HN 0.131 nan 8.240 nan 0.000 0.436 236 L N 0.407 121.568 121.223 -0.103 0.000 2.012 236 L HA -0.138 4.202 4.340 0.000 0.000 0.210 236 L C 3.021 179.802 176.870 -0.148 0.000 1.073 236 L CA 1.459 56.238 54.840 -0.101 0.000 0.748 236 L CB -0.594 41.429 42.059 -0.061 0.000 0.891 236 L HN 0.161 nan 8.230 nan 0.000 0.431 237 R N -0.436 119.948 120.500 -0.192 0.000 2.096 237 R HA -0.194 4.146 4.340 0.000 0.000 0.240 237 R C 2.129 178.391 176.300 -0.063 0.000 1.139 237 R CA 1.943 57.945 56.100 -0.163 0.000 0.952 237 R CB -0.654 29.529 30.300 -0.195 0.000 0.854 237 R HN 0.599 nan 8.270 nan 0.000 0.436 238 H N -1.217 117.816 119.070 -0.061 0.000 2.470 238 H HA 0.086 4.642 4.556 0.001 0.000 0.289 238 H C 1.723 177.018 175.328 -0.056 0.000 1.033 238 H CA 0.564 56.583 56.048 -0.049 0.000 1.331 238 H CB 0.291 30.036 29.762 -0.029 0.000 1.414 238 H HN 0.279 nan 8.280 nan 0.000 0.545 239 A N 0.715 123.555 122.820 0.034 0.000 2.167 239 A HA 0.171 4.492 4.320 0.000 0.000 0.208 239 A C 0.728 178.225 177.584 -0.145 0.000 1.198 239 A CA -0.037 52.003 52.037 0.006 0.000 0.863 239 A CB 0.499 19.520 19.000 0.035 0.000 0.904 239 A HN 0.063 nan 8.150 nan 0.000 0.484 240 V N 2.551 122.250 119.914 -0.359 0.000 2.322 240 V HA 0.167 4.287 4.120 0.000 0.000 0.258 240 V C 1.369 177.045 176.094 -0.696 0.000 1.074 240 V CA 0.735 62.461 62.300 -0.957 0.000 0.909 240 V CB 0.184 31.515 31.823 -0.819 0.000 1.090 240 V HN 0.598 nan 8.190 nan 0.000 0.486 241 T N -0.464 113.790 114.554 -0.501 0.000 3.060 241 T HA -0.024 4.326 4.350 0.000 0.000 0.249 241 T C 0.924 175.642 174.700 0.030 0.000 1.079 241 T CA 0.184 62.234 62.100 -0.082 0.000 1.013 241 T CB -0.190 68.753 68.868 0.124 0.000 0.975 241 T HN 0.794 nan 8.240 nan 0.000 0.518 242 W N 0.854 122.184 121.300 0.051 0.000 3.220 242 W HA 0.676 5.336 4.660 0.000 0.000 0.328 242 W C 0.311 176.867 176.519 0.062 0.000 1.205 242 W CA -0.326 57.049 57.345 0.051 0.000 1.773 242 W CB 0.026 29.514 29.460 0.046 0.000 1.086 242 W HN 0.172 nan 8.180 nan 0.000 0.622 243 T N 0.390 114.801 114.554 -0.238 0.000 2.693 243 T HA 0.297 4.648 4.350 0.000 0.000 0.304 243 T C -1.646 172.991 174.700 -0.105 0.000 1.471 243 T CA -0.632 61.421 62.100 -0.079 0.000 0.993 243 T CB 1.376 70.258 68.868 0.024 0.000 1.554 243 T HN 0.017 nan 8.240 nan 0.000 0.496 244 Q N 1.287 121.094 119.800 0.012 0.000 2.274 244 Q HA 0.577 4.917 4.340 0.000 0.000 0.260 244 Q C -0.662 175.343 176.000 0.008 0.000 0.974 244 Q CA -1.045 54.764 55.803 0.011 0.000 0.876 244 Q CB 1.680 30.461 28.738 0.071 0.000 1.297 244 Q HN 0.443 nan 8.270 nan 0.000 0.446 245 I N 2.564 123.102 120.570 -0.054 0.000 2.297 245 I HA 0.183 4.353 4.170 0.000 0.000 0.291 245 I C -0.228 175.817 176.117 -0.121 0.000 1.033 245 I CA -0.470 60.794 61.300 -0.060 0.000 1.253 245 I CB 0.324 38.281 38.000 -0.072 0.000 1.396 245 I HN 0.554 nan 8.210 nan 0.000 0.476 246 N N 4.569 123.164 118.700 -0.175 0.000 2.422 246 N HA 0.288 5.028 4.740 0.000 0.000 0.266 246 N C -1.004 174.377 175.510 -0.215 0.000 1.007 246 N CA 0.235 53.075 53.050 -0.349 0.000 0.941 246 N CB 1.387 39.390 38.487 -0.806 0.000 1.115 246 N HN 0.559 nan 8.380 nan 0.000 0.492 247 S N 1.097 116.685 115.700 -0.187 0.000 2.595 247 S HA 0.783 5.253 4.470 0.000 0.000 0.281 247 S C 0.434 174.976 174.600 -0.098 0.000 1.117 247 S CA 0.272 58.407 58.200 -0.108 0.000 0.873 247 S CB 1.253 64.412 63.200 -0.068 0.000 1.108 247 S HN 0.764 nan 8.310 nan 0.000 0.477 248 G N 1.469 110.240 108.800 -0.048 0.000 2.425 248 G HA2 -0.114 3.847 3.960 0.000 0.000 0.177 248 G HA3 -0.114 3.847 3.960 0.000 0.000 0.177 248 G C -0.203 174.689 174.900 -0.013 0.000 0.999 248 G CA -0.050 45.034 45.100 -0.027 0.000 0.723 248 G HN 0.693 nan 8.290 nan 0.000 0.491 249 E N 0.034 120.205 120.200 -0.048 0.000 2.481 249 E HA 0.370 4.720 4.350 0.000 0.000 0.263 249 E C 0.865 177.442 176.600 -0.039 0.000 0.992 249 E CA 0.652 56.962 56.400 -0.150 0.000 0.938 249 E CB -0.208 29.311 29.700 -0.303 0.000 0.933 249 E HN 0.664 nan 8.360 nan 0.000 0.453 250 Y N -0.436 119.933 120.300 0.115 0.000 4.936 250 Y HA -0.293 4.258 4.550 0.000 0.000 0.260 250 Y C -0.015 175.939 175.900 0.089 0.000 0.928 250 Y CA 0.150 58.311 58.100 0.102 0.000 1.869 250 Y CB -1.658 36.845 38.460 0.071 0.000 1.344 250 Y HN 0.360 nan 8.280 nan 0.000 0.521 251 L N 2.107 123.429 121.223 0.166 0.000 2.322 251 L HA 0.382 4.722 4.340 0.000 0.000 0.279 251 L C 0.458 177.389 176.870 0.103 0.000 1.036 251 L CA -0.869 54.050 54.840 0.131 0.000 0.807 251 L CB 0.906 43.028 42.059 0.106 0.000 1.226 251 L HN 0.070 nan 8.230 nan 0.000 0.433 252 D N 1.506 121.956 120.400 0.083 0.000 2.478 252 D HA 0.081 4.721 4.640 0.000 0.000 0.269 252 D C 1.020 177.354 176.300 0.057 0.000 1.232 252 D CA -0.573 53.461 54.000 0.057 0.000 1.059 252 D CB 0.879 41.687 40.800 0.014 0.000 1.104 252 D HN 0.361 nan 8.370 nan 0.000 0.566 253 L N -0.693 120.564 121.223 0.056 0.000 2.042 253 L HA -0.276 4.064 4.340 0.000 0.000 0.210 253 L C 2.183 179.085 176.870 0.053 0.000 1.076 253 L CA 1.748 56.630 54.840 0.069 0.000 0.749 253 L CB -0.286 41.830 42.059 0.095 0.000 0.893 253 L HN 0.348 nan 8.230 nan 0.000 0.432 254 Q N -0.437 119.388 119.800 0.042 0.000 2.084 254 Q HA -0.126 4.214 4.340 0.000 0.000 0.202 254 Q C 2.068 178.090 176.000 0.037 0.000 0.978 254 Q CA 1.594 57.418 55.803 0.036 0.000 0.844 254 Q CB -0.864 27.890 28.738 0.027 0.000 0.898 254 Q HN 0.562 nan 8.270 nan 0.000 0.426 255 G N 0.862 109.690 108.800 0.047 0.000 2.408 255 G HA2 -0.246 3.714 3.960 0.000 0.000 0.217 255 G HA3 -0.246 3.714 3.960 0.000 0.000 0.217 255 G C 1.221 176.153 174.900 0.054 0.000 1.150 255 G CA 0.612 45.751 45.100 0.065 0.000 0.776 255 G HN 0.246 nan 8.290 nan 0.000 0.542 256 K N -0.031 120.393 120.400 0.040 0.000 2.097 256 K HA -0.030 4.290 4.320 0.000 0.000 0.205 256 K C 2.520 179.110 176.600 -0.017 0.000 1.050 256 K CA 0.804 57.099 56.287 0.013 0.000 0.938 256 K CB -0.150 32.359 32.500 0.016 0.000 0.718 256 K HN 0.195 nan 8.250 nan 0.000 0.442 257 R N 1.480 121.977 120.500 -0.006 0.000 2.081 257 R HA -0.113 4.228 4.340 0.000 0.000 0.235 257 R C 2.216 178.481 176.300 -0.059 0.000 1.131 257 R CA 1.146 57.229 56.100 -0.028 0.000 0.960 257 R CB -0.251 30.049 30.300 0.001 0.000 0.856 257 R HN 0.123 nan 8.270 nan 0.000 0.436 258 L N 0.676 121.877 121.223 -0.036 0.000 2.083 258 L HA -0.189 4.152 4.340 0.000 0.000 0.209 258 L C 2.491 179.265 176.870 -0.160 0.000 1.083 258 L CA 0.594 55.398 54.840 -0.059 0.000 0.752 258 L CB -0.439 41.633 42.059 0.023 0.000 0.899 258 L HN 0.234 nan 8.230 nan 0.000 0.433 259 L N -0.152 120.998 121.223 -0.122 0.000 1.989 259 L HA -0.239 4.101 4.340 0.000 0.000 0.211 259 L C 2.388 179.117 176.870 -0.236 0.000 1.071 259 L CA 1.799 56.520 54.840 -0.198 0.000 0.749 259 L CB -0.370 41.650 42.059 -0.064 0.000 0.890 259 L HN 0.097 nan 8.230 nan 0.000 0.431 260 L N -0.856 120.261 121.223 -0.176 0.000 2.012 260 L HA -0.254 4.086 4.340 0.000 0.000 0.210 260 L C 2.495 179.174 176.870 -0.319 0.000 1.073 260 L CA 1.697 56.420 54.840 -0.195 0.000 0.748 260 L CB -0.778 41.193 42.059 -0.147 0.000 0.891 260 L HN 0.357 nan 8.230 nan 0.000 0.431 261 E N 0.234 120.257 120.200 -0.296 0.000 2.160 261 E HA -0.216 4.134 4.350 0.000 0.000 0.195 261 E C 2.088 178.385 176.600 -0.506 0.000 0.991 261 E CA 1.125 57.305 56.400 -0.368 0.000 0.810 261 E CB -0.189 29.391 29.700 -0.200 0.000 0.742 261 E HN 0.520 nan 8.360 nan 0.000 0.466 262 A N 0.581 123.146 122.820 -0.424 0.000 2.235 262 A HA -0.097 4.223 4.320 0.000 0.000 0.208 262 A C -0.068 177.394 177.584 -0.203 0.000 1.172 262 A CA 0.294 52.117 52.037 -0.357 0.000 0.786 262 A CB -0.332 18.281 19.000 -0.646 0.000 0.804 262 A HN 0.339 nan 8.150 nan 0.000 0.479 263 H N -2.718 116.276 119.070 -0.127 0.000 2.826 263 H HA -0.210 4.346 4.556 0.000 0.000 0.306 263 H C 0.824 176.092 175.328 -0.100 0.000 1.235 263 H CA 0.791 56.791 56.048 -0.080 0.000 1.150 263 H CB -1.806 27.942 29.762 -0.024 0.000 1.409 263 H HN 0.671 nan 8.280 nan 0.000 0.420 264 A N -0.589 122.186 122.820 -0.075 0.000 2.574 264 A HA 0.676 4.997 4.320 0.000 0.000 0.283 264 A C 0.888 178.428 177.584 -0.073 0.000 1.270 264 A CA 0.576 52.561 52.037 -0.086 0.000 0.945 264 A CB 0.491 19.406 19.000 -0.143 0.000 1.127 264 A HN 0.689 nan 8.150 nan 0.000 0.522 265 A N -0.632 122.145 122.820 -0.071 0.000 2.488 265 A HA 0.570 4.890 4.320 0.000 0.000 0.295 265 A C -0.390 177.150 177.584 -0.074 0.000 1.045 265 A CA -0.374 51.613 52.037 -0.082 0.000 0.703 265 A CB 0.821 19.764 19.000 -0.095 0.000 1.271 265 A HN 0.001 nan 8.150 nan 0.000 0.400 266 D N 0.770 121.119 120.400 -0.085 0.000 2.213 266 D HA 0.140 4.781 4.640 0.000 0.000 0.205 266 D C 0.348 176.588 176.300 -0.101 0.000 0.961 266 D CA 1.674 55.629 54.000 -0.074 0.000 0.853 266 D CB 0.262 41.020 40.800 -0.070 0.000 0.967 266 D HN 0.607 nan 8.370 nan 0.000 0.496 267 I N 0.447 120.920 120.570 -0.163 0.000 2.686 267 I HA 0.236 4.407 4.170 0.000 0.000 0.295 267 I C -1.133 174.847 176.117 -0.228 0.000 1.114 267 I CA -1.126 60.041 61.300 -0.222 0.000 1.038 267 I CB 2.985 40.749 38.000 -0.393 0.000 1.238 267 I HN -0.276 nan 8.210 nan 0.000 0.420 268 L N 5.475 126.583 121.223 -0.192 0.000 2.280 268 L HA 0.450 4.790 4.340 0.000 0.000 0.287 268 L C -0.437 176.321 176.870 -0.187 0.000 1.023 268 L CA -0.170 54.573 54.840 -0.162 0.000 0.819 268 L CB 0.737 42.731 42.059 -0.109 0.000 1.212 268 L HN 0.680 nan 8.230 nan 0.000 0.420 269 N N 4.525 123.101 118.700 -0.208 0.000 2.514 269 N HA 0.520 5.261 4.740 0.000 0.000 0.277 269 N C -0.596 174.801 175.510 -0.187 0.000 1.126 269 N CA -0.476 52.443 53.050 -0.219 0.000 0.978 269 N CB 1.577 39.922 38.487 -0.237 0.000 1.106 269 N HN 0.411 nan 8.380 nan 0.000 0.461 270 V N -2.046 117.748 119.914 -0.200 0.000 3.160 270 V HA 0.599 4.719 4.120 0.000 0.000 0.310 270 V C -0.468 175.468 176.094 -0.263 0.000 1.181 270 V CA -0.746 61.463 62.300 -0.152 0.000 1.047 270 V CB 1.845 33.646 31.823 -0.037 0.000 1.068 270 V HN 0.816 nan 8.190 nan 0.000 0.441 271 H N 1.480 120.571 119.070 0.036 0.000 3.892 271 H HA 0.567 5.123 4.556 0.001 0.000 0.288 271 H C 1.173 176.541 175.328 0.067 0.000 1.526 271 H CA 0.342 56.420 56.048 0.050 0.000 1.387 271 H CB 1.112 30.903 29.762 0.050 0.000 0.780 271 H HN 0.908 nan 8.280 nan 0.000 0.713 272 G N -0.022 108.930 108.800 0.253 0.000 3.324 272 G HA2 0.024 3.985 3.960 0.000 0.000 0.251 272 G HA3 0.024 3.985 3.960 0.000 0.000 0.251 272 G C -0.354 174.638 174.900 0.155 0.000 1.072 272 G CA -0.142 45.065 45.100 0.178 0.000 0.787 272 G HN 0.235 nan 8.290 nan 0.000 0.537 273 Q N 1.273 121.172 119.800 0.166 0.000 2.388 273 Q HA 0.261 4.601 4.340 0.000 0.000 0.246 273 Q C 1.497 177.556 176.000 0.098 0.000 1.246 273 Q CA -0.202 55.690 55.803 0.149 0.000 0.895 273 Q CB 1.008 29.881 28.738 0.224 0.000 1.510 273 Q HN 0.123 nan 8.270 nan 0.000 0.503 274 V N 1.494 121.442 119.914 0.058 0.000 2.250 274 V HA -0.367 3.753 4.120 0.000 0.000 0.250 274 V C 1.750 177.785 176.094 -0.098 0.000 1.060 274 V CA 2.532 64.765 62.300 -0.111 0.000 1.030 274 V CB -0.795 30.808 31.823 -0.367 0.000 0.643 274 V HN 0.760 nan 8.190 nan 0.000 0.445 275 T N -0.496 114.133 114.554 0.125 0.000 2.777 275 T HA -0.165 4.185 4.350 0.000 0.000 0.266 275 T C 1.637 176.434 174.700 0.162 0.000 1.040 275 T CA 1.602 63.848 62.100 0.244 0.000 1.141 275 T CB -0.426 68.655 68.868 0.356 0.000 0.868 275 T HN 0.498 nan 8.240 nan 0.000 0.444 276 D N 1.006 121.504 120.400 0.164 0.000 2.117 276 D HA -0.060 4.581 4.640 0.000 0.000 0.197 276 D C 2.252 178.627 176.300 0.124 0.000 0.987 276 D CA 0.647 54.747 54.000 0.168 0.000 0.829 276 D CB -0.664 40.266 40.800 0.217 0.000 0.961 276 D HN 0.202 nan 8.370 nan 0.000 0.460 277 V N 1.039 121.007 119.914 0.090 0.000 2.427 277 V HA -0.200 3.920 4.120 0.000 0.000 0.248 277 V C 2.333 178.458 176.094 0.051 0.000 1.051 277 V CA 1.130 63.465 62.300 0.059 0.000 1.048 277 V CB -0.304 31.542 31.823 0.038 0.000 0.666 277 V HN 0.208 nan 8.190 nan 0.000 0.456 278 M N -0.541 119.076 119.600 0.029 0.000 2.254 278 M HA -0.062 4.418 4.480 0.000 0.000 0.265 278 M C 2.250 178.639 176.300 0.148 0.000 1.066 278 M CA 1.485 56.814 55.300 0.049 0.000 1.123 278 M CB -1.122 31.457 32.600 -0.035 0.000 1.388 278 M HN 0.307 nan 8.290 nan 0.000 0.425 279 R N -0.019 120.582 120.500 0.168 0.000 2.062 279 R HA -0.041 4.299 4.340 0.000 0.000 0.229 279 R C 2.148 178.609 176.300 0.269 0.000 1.128 279 R CA 1.045 57.296 56.100 0.251 0.000 0.960 279 R CB -0.467 29.963 30.300 0.217 0.000 0.855 279 R HN 0.150 nan 8.270 nan 0.000 0.432 280 I N 0.692 121.356 120.570 0.157 0.000 2.493 280 I HA -0.081 4.089 4.170 0.000 0.000 0.254 280 I C 2.003 178.149 176.117 0.049 0.000 1.160 280 I CA 1.178 62.530 61.300 0.087 0.000 1.445 280 I CB -0.283 37.748 38.000 0.052 0.000 1.086 280 I HN 0.209 nan 8.210 nan 0.000 0.433 281 G N -0.529 108.321 108.800 0.083 0.000 2.408 281 G HA2 -0.319 3.641 3.960 0.000 0.000 0.217 281 G HA3 -0.319 3.641 3.960 0.000 0.000 0.217 281 G C 1.453 176.405 174.900 0.087 0.000 1.150 281 G CA 0.647 45.784 45.100 0.060 0.000 0.776 281 G HN 0.609 nan 8.290 nan 0.000 0.542 282 W N 1.054 122.363 121.300 0.015 0.000 2.355 282 W HA 0.001 4.661 4.660 0.000 0.000 0.309 282 W C 2.031 178.559 176.519 0.016 0.000 1.206 282 W CA 1.179 58.536 57.345 0.019 0.000 1.284 282 W CB -0.605 28.873 29.460 0.030 0.000 1.145 282 W HN 0.134 nan 8.180 nan 0.000 0.502 283 L N 2.083 122.973 121.223 -0.555 0.000 1.989 283 L HA -0.076 4.265 4.340 0.000 0.000 0.211 283 L C 2.638 179.230 176.870 -0.463 0.000 1.071 283 L CA 3.148 57.519 54.840 -0.781 0.000 0.749 283 L CB -1.643 40.187 42.059 -0.381 0.000 0.890 283 L HN 0.132 nan 8.230 nan 0.000 0.431 284 A N -0.667 122.006 122.820 -0.245 0.000 1.948 284 A HA -0.216 4.104 4.320 0.000 0.000 0.220 284 A C 2.423 179.910 177.584 -0.161 0.000 1.177 284 A CA 2.152 54.091 52.037 -0.164 0.000 0.636 284 A CB -1.197 17.744 19.000 -0.100 0.000 0.815 284 A HN 0.613 nan 8.150 nan 0.000 0.449 285 A N -0.599 122.115 122.820 -0.177 0.000 1.898 285 A HA -0.116 4.205 4.320 0.000 0.000 0.216 285 A C 1.909 179.395 177.584 -0.163 0.000 1.181 285 A CA 1.557 53.517 52.037 -0.128 0.000 0.620 285 A CB -0.394 18.566 19.000 -0.066 0.000 0.819 285 A HN 0.458 nan 8.150 nan 0.000 0.442 286 E N 0.020 120.038 120.200 -0.304 0.000 2.153 286 E HA -0.108 4.242 4.350 0.000 0.000 0.194 286 E C 1.816 178.317 176.600 -0.164 0.000 0.988 286 E CA 0.841 57.087 56.400 -0.257 0.000 0.811 286 E CB -0.270 29.163 29.700 -0.445 0.000 0.746 286 E HN 0.670 nan 8.360 nan 0.000 0.466 287 L N -0.734 120.385 121.223 -0.173 0.000 2.477 287 L HA 0.133 4.474 4.340 0.000 0.000 0.220 287 L C 1.236 178.065 176.870 -0.067 0.000 1.106 287 L CA 0.454 55.229 54.840 -0.109 0.000 0.851 287 L CB -0.019 41.966 42.059 -0.123 0.000 0.994 287 L HN 0.204 nan 8.230 nan 0.000 0.462 288 G N 1.210 109.969 108.800 -0.070 0.000 2.176 288 G HA2 -0.238 3.722 3.960 0.000 0.000 0.252 288 G HA3 -0.238 3.722 3.960 0.000 0.000 0.252 288 G C 0.044 174.921 174.900 -0.038 0.000 1.024 288 G CA -0.253 44.822 45.100 -0.042 0.000 0.755 288 G HN 0.140 nan 8.290 nan 0.000 0.507 289 I N 1.940 122.478 120.570 -0.054 0.000 2.315 289 I HA 0.339 4.509 4.170 0.000 0.000 0.291 289 I C -1.410 174.674 176.117 -0.054 0.000 1.006 289 I CA -3.143 58.125 61.300 -0.054 0.000 1.265 289 I CB 0.847 38.806 38.000 -0.069 0.000 1.387 289 I HN -0.034 nan 8.210 nan 0.000 0.475 290 P HA 0.406 nan 4.420 nan 0.000 0.274 290 P C -0.606 176.652 177.300 -0.070 0.000 1.246 290 P CA -0.238 62.840 63.100 -0.037 0.000 0.795 290 P CB 1.591 33.283 31.700 -0.013 0.000 1.006 291 I N 0.202 120.740 120.570 -0.055 0.000 2.686 291 I HA 0.252 4.422 4.170 0.000 0.000 0.295 291 I C 0.038 176.124 176.117 -0.053 0.000 1.114 291 I CA -0.684 60.570 61.300 -0.077 0.000 1.038 291 I CB 2.340 40.312 38.000 -0.046 0.000 1.238 291 I HN 0.359 nan 8.210 nan 0.000 0.420 292 S N 6.022 121.657 115.700 -0.109 0.000 2.532 292 S HA 0.669 5.140 4.470 0.000 0.000 0.301 292 S C -0.732 173.870 174.600 0.003 0.000 1.083 292 S CA -0.838 57.359 58.200 -0.005 0.000 1.025 292 S CB 1.927 65.050 63.200 -0.127 0.000 1.056 292 S HN 0.368 nan 8.310 nan 0.000 0.494 293 I N 2.927 123.549 120.570 0.087 0.000 2.304 293 I HA 0.378 4.548 4.170 0.000 0.000 0.291 293 I C 1.213 177.354 176.117 0.041 0.000 1.018 293 I CA -0.233 61.084 61.300 0.029 0.000 1.260 293 I CB 0.417 38.446 38.000 0.048 0.000 1.390 293 I HN 0.967 nan 8.210 nan 0.000 0.475 294 G N 5.504 114.243 108.800 -0.101 0.000 2.516 294 G HA2 0.100 4.061 3.960 0.000 0.000 0.276 294 G HA3 0.100 4.061 3.960 0.000 0.000 0.276 294 G C 0.043 174.987 174.900 0.073 0.000 1.390 294 G CA -0.693 44.366 45.100 -0.068 0.000 1.050 294 G HN 0.699 nan 8.290 nan 0.000 0.519 295 N N 0.302 119.107 118.700 0.175 0.000 2.411 295 N HA 0.277 5.017 4.740 0.000 0.000 0.265 295 N C 0.224 175.886 175.510 0.253 0.000 1.266 295 N CA 0.582 53.722 53.050 0.151 0.000 0.889 295 N CB 0.508 39.050 38.487 0.091 0.000 1.069 295 N HN 0.624 nan 8.380 nan 0.000 0.476 296 T N -0.505 114.138 114.554 0.148 0.000 2.908 296 T HA 0.345 4.695 4.350 0.000 0.000 0.290 296 T C -0.328 174.442 174.700 0.115 0.000 1.034 296 T CA -0.867 61.331 62.100 0.163 0.000 1.010 296 T CB 0.784 69.747 68.868 0.158 0.000 1.068 296 T HN 0.244 nan 8.240 nan 0.000 0.481 297 F N 3.368 123.334 119.950 0.027 0.000 2.571 297 F HA 0.316 4.843 4.527 0.000 0.000 0.384 297 F C 1.201 176.930 175.800 -0.118 0.000 1.058 297 F CA -0.269 57.684 58.000 -0.079 0.000 1.200 297 F CB -0.404 38.464 39.000 -0.219 0.000 1.077 297 F HN 0.741 nan 8.300 nan 0.000 0.558 298 L N 4.772 125.712 121.223 -0.472 0.000 4.001 298 L HA -0.369 3.971 4.340 0.000 0.000 0.413 298 L C 0.504 177.335 176.870 -0.065 0.000 1.185 298 L CA 0.702 55.402 54.840 -0.233 0.000 0.963 298 L CB -1.569 40.351 42.059 -0.232 0.000 1.976 298 L HN 0.773 nan 8.230 nan 0.000 0.939 299 E N -3.251 116.934 120.200 -0.024 0.000 2.971 299 E HA -0.327 4.024 4.350 0.000 0.000 0.278 299 E C 1.453 178.065 176.600 0.021 0.000 1.009 299 E CA 1.138 57.540 56.400 0.004 0.000 0.862 299 E CB -1.539 28.150 29.700 -0.018 0.000 1.436 299 E HN 0.690 nan 8.360 nan 0.000 0.434 300 A N 0.077 122.926 122.820 0.049 0.000 1.927 300 A HA -0.144 4.176 4.320 0.000 0.000 0.220 300 A C 2.407 180.088 177.584 0.163 0.000 1.185 300 A CA 2.193 54.287 52.037 0.095 0.000 0.639 300 A CB -0.909 18.133 19.000 0.071 0.000 0.820 300 A HN 0.556 nan 8.150 nan 0.000 0.451 301 G N -1.121 107.745 108.800 0.112 0.000 2.535 301 G HA2 -0.003 3.957 3.960 0.000 0.000 0.218 301 G HA3 -0.003 3.957 3.960 0.000 0.000 0.218 301 G C 1.387 176.314 174.900 0.045 0.000 1.122 301 G CA 0.845 46.002 45.100 0.095 0.000 0.769 301 G HN 0.477 nan 8.290 nan 0.000 0.549 302 V N 0.583 120.484 119.914 -0.021 0.000 2.439 302 V HA -0.279 3.841 4.120 0.000 0.000 0.253 302 V C 2.525 178.518 176.094 -0.168 0.000 1.074 302 V CA 2.306 64.526 62.300 -0.134 0.000 1.076 302 V CB -0.511 31.180 31.823 -0.221 0.000 0.664 302 V HN 0.573 nan 8.190 nan 0.000 0.461 303 H N -1.122 117.969 119.070 0.035 0.000 2.357 303 H HA -0.103 4.454 4.556 0.000 0.000 0.301 303 H C 2.241 177.592 175.328 0.038 0.000 1.082 303 H CA 2.128 58.220 56.048 0.073 0.000 1.342 303 H CB -0.216 29.622 29.762 0.126 0.000 1.389 303 H HN 0.447 nan 8.280 nan 0.000 0.511 304 M N 0.326 119.992 119.600 0.110 0.000 2.200 304 M HA 0.022 4.502 4.480 0.000 0.000 0.265 304 M C 2.708 179.022 176.300 0.024 0.000 1.066 304 M CA 1.237 56.557 55.300 0.032 0.000 1.127 304 M CB -0.252 32.347 32.600 -0.001 0.000 1.379 304 M HN 0.185 nan 8.290 nan 0.000 0.420 305 A N 0.189 123.017 122.820 0.013 0.000 1.902 305 A HA -0.097 4.223 4.320 0.000 0.000 0.217 305 A C 2.285 179.857 177.584 -0.021 0.000 1.181 305 A CA 2.032 54.067 52.037 -0.003 0.000 0.623 305 A CB -1.277 17.716 19.000 -0.012 0.000 0.818 305 A HN 0.432 nan 8.150 nan 0.000 0.443 306 V N -3.257 116.634 119.914 -0.038 0.000 2.871 306 V HA 0.205 4.325 4.120 0.000 0.000 0.256 306 V C 2.289 178.395 176.094 0.019 0.000 1.082 306 V CA 1.535 63.808 62.300 -0.044 0.000 1.105 306 V CB -0.859 30.890 31.823 -0.123 0.000 0.713 306 V HN 0.464 nan 8.190 nan 0.000 0.473 307 A N 0.464 123.315 122.820 0.052 0.000 2.021 307 A HA 0.375 4.695 4.320 0.000 0.000 0.216 307 A C 1.226 178.835 177.584 0.042 0.000 1.163 307 A CA 0.327 52.403 52.037 0.065 0.000 0.676 307 A CB -0.425 18.617 19.000 0.070 0.000 0.818 307 A HN 0.568 nan 8.150 nan 0.000 0.453 308 L N 1.166 122.406 121.223 0.029 0.000 2.360 308 L HA 0.173 4.513 4.340 0.000 0.000 0.276 308 L C -1.146 175.735 176.870 0.019 0.000 1.121 308 L CA -1.633 53.224 54.840 0.028 0.000 0.845 308 L CB 0.977 43.050 42.059 0.023 0.000 1.143 308 L HN 0.169 nan 8.230 nan 0.000 0.452 309 P HA -0.191 nan 4.420 nan 0.000 0.217 309 P C 0.723 178.026 177.300 0.005 0.000 1.150 309 P CA 1.182 64.291 63.100 0.015 0.000 0.832 309 P CB 0.123 31.837 31.700 0.023 0.000 0.787 310 E N 0.259 120.462 120.200 0.005 0.000 2.445 310 E HA 0.070 4.420 4.350 0.000 0.000 0.189 310 E C -0.134 176.469 176.600 0.006 0.000 1.069 310 E CA -0.053 56.348 56.400 0.001 0.000 0.871 310 E CB -0.313 29.381 29.700 -0.010 0.000 0.991 310 E HN 0.045 nan 8.360 nan 0.000 0.481 311 V N 2.409 122.327 119.914 0.007 0.000 2.394 311 V HA 0.097 4.217 4.120 0.000 0.000 0.282 311 V C 1.092 177.185 176.094 -0.002 0.000 1.031 311 V CA -0.075 62.237 62.300 0.020 0.000 0.881 311 V CB 1.395 33.230 31.823 0.020 0.000 0.982 311 V HN 0.381 nan 8.190 nan 0.000 0.451 312 E N 3.142 123.355 120.200 0.022 0.000 2.485 312 E HA 0.098 4.448 4.350 0.000 0.000 0.213 312 E C -0.438 175.982 176.600 -0.299 0.000 0.923 312 E CA -0.270 56.039 56.400 -0.152 0.000 1.054 312 E CB 0.598 30.191 29.700 -0.179 0.000 1.077 312 E HN 0.611 nan 8.360 nan 0.000 0.509 313 W N 1.064 122.453 121.300 0.148 0.000 3.022 313 W HA 0.542 5.203 4.660 0.000 0.000 0.335 313 W C -1.102 175.552 176.519 0.225 0.000 1.133 313 W CA -0.907 56.584 57.345 0.243 0.000 1.219 313 W CB 1.911 31.659 29.460 0.479 0.000 1.409 313 W HN -0.015 nan 8.180 nan 0.000 0.507 314 L N 2.027 123.506 121.223 0.428 0.000 2.365 314 L HA 0.534 4.874 4.340 0.000 0.000 0.273 314 L C -0.201 176.612 176.870 -0.095 0.000 1.000 314 L CA -0.631 54.315 54.840 0.177 0.000 0.819 314 L CB 1.726 43.817 42.059 0.053 0.000 1.284 314 L HN 0.460 nan 8.230 nan 0.000 0.418 315 E N 2.894 122.932 120.200 -0.269 0.000 2.316 315 E HA 0.108 4.458 4.350 0.000 0.000 0.275 315 E C -1.926 174.463 176.600 -0.352 0.000 1.029 315 E CA -0.303 55.656 56.400 -0.734 0.000 0.871 315 E CB 0.777 30.270 29.700 -0.344 0.000 1.022 315 E HN 0.556 nan 8.360 nan 0.000 0.418 316 Y N 2.670 122.643 120.300 -0.545 0.000 2.350 316 Y HA 0.276 4.826 4.550 0.000 0.000 0.338 316 Y C -0.402 175.150 175.900 -0.580 0.000 0.961 316 Y CA -0.569 57.237 58.100 -0.491 0.000 1.100 316 Y CB 1.942 40.129 38.460 -0.454 0.000 1.179 316 Y HN 0.443 nan 8.280 nan 0.000 0.454 317 S N 6.062 120.948 115.700 -1.356 0.000 2.749 317 S HA 0.167 4.637 4.470 0.000 0.000 0.246 317 S C -0.457 173.657 174.600 -0.812 0.000 1.023 317 S CA -0.364 57.337 58.200 -0.833 0.000 1.012 317 S CB -0.474 62.453 63.200 -0.454 0.000 0.942 317 S HN 0.744 nan 8.310 nan 0.000 0.531 318 F N 1.253 120.402 119.950 -1.335 0.000 3.093 318 F HA -0.232 4.296 4.527 0.000 0.000 0.287 318 F C 0.581 176.075 175.800 -0.510 0.000 0.882 318 F CA 0.224 57.838 58.000 -0.642 0.000 1.063 318 F CB -2.215 36.564 39.000 -0.367 0.000 1.097 318 F HN 0.283 nan 8.300 nan 0.000 0.604 319 Q N 1.189 120.607 119.800 -0.638 0.000 2.340 319 Q HA 0.186 4.526 4.340 0.000 0.000 0.249 319 Q C 0.942 176.572 176.000 -0.617 0.000 0.957 319 Q CA -0.299 55.020 55.803 -0.807 0.000 0.882 319 Q CB 0.438 28.247 28.738 -1.548 0.000 1.235 319 Q HN 0.344 nan 8.270 nan 0.000 0.439 320 N N 2.438 120.907 118.700 -0.385 0.000 3.178 320 N HA 0.011 4.751 4.740 0.000 0.000 0.300 320 N C -0.849 174.822 175.510 0.268 0.000 1.242 320 N CA 0.228 53.249 53.050 -0.048 0.000 1.192 320 N CB 0.093 38.590 38.487 0.016 0.000 1.463 320 N HN 0.410 nan 8.380 nan 0.000 0.539 321 F N -0.376 119.544 119.950 -0.050 0.000 2.752 321 F HA 0.264 4.791 4.527 0.000 0.000 0.310 321 F C 1.118 176.692 175.800 -0.376 0.000 1.097 321 F CA -0.831 57.023 58.000 -0.243 0.000 1.238 321 F CB 0.001 38.705 39.000 -0.492 0.000 1.061 321 F HN 0.117 nan 8.300 nan 0.000 0.591 322 D N -0.087 120.311 120.400 -0.002 0.000 2.263 322 D HA -0.155 4.486 4.640 0.000 0.000 0.208 322 D C 2.224 178.457 176.300 -0.111 0.000 0.971 322 D CA 1.190 55.158 54.000 -0.053 0.000 0.867 322 D CB -0.467 40.337 40.800 0.007 0.000 0.929 322 D HN 0.432 nan 8.370 nan 0.000 0.492 323 H N -0.044 118.947 119.070 -0.133 0.000 2.521 323 H HA 0.008 4.564 4.556 0.000 0.000 0.286 323 H C 1.838 177.094 175.328 -0.120 0.000 1.034 323 H CA 0.447 56.418 56.048 -0.129 0.000 1.278 323 H CB -0.622 29.009 29.762 -0.217 0.000 1.386 323 H HN 0.204 nan 8.280 nan 0.000 0.567 324 L N 1.445 122.211 121.223 -0.762 0.000 2.552 324 L HA 0.058 4.398 4.340 0.000 0.000 0.227 324 L C 0.680 177.471 176.870 -0.132 0.000 1.146 324 L CA 0.051 54.572 54.840 -0.531 0.000 0.858 324 L CB 0.147 41.787 42.059 -0.699 0.000 0.969 324 L HN 0.171 nan 8.230 nan 0.000 0.451 325 V N -5.904 113.971 119.914 -0.064 0.000 3.102 325 V HA 0.334 4.454 4.120 0.000 0.000 0.312 325 V C 0.647 176.772 176.094 0.051 0.000 1.135 325 V CA -0.935 61.397 62.300 0.053 0.000 1.022 325 V CB 1.832 33.719 31.823 0.107 0.000 1.056 325 V HN 0.029 nan 8.190 nan 0.000 0.436 326 E N 1.148 121.393 120.200 0.075 0.000 2.047 326 E HA -0.074 4.276 4.350 0.000 0.000 0.191 326 E C 0.279 176.912 176.600 0.055 0.000 0.987 326 E CA 1.603 58.043 56.400 0.065 0.000 0.799 326 E CB 0.055 29.797 29.700 0.069 0.000 0.752 326 E HN 0.876 nan 8.360 nan 0.000 0.449 327 Q N 0.650 120.486 119.800 0.061 0.000 2.269 327 Q HA 0.392 4.733 4.340 0.000 0.000 0.263 327 Q C -2.865 173.164 176.000 0.048 0.000 0.983 327 Q CA -2.201 53.631 55.803 0.048 0.000 0.777 327 Q CB 1.980 30.745 28.738 0.045 0.000 1.273 327 Q HN -0.170 nan 8.270 nan 0.000 0.440 328 P HA 0.160 nan 4.420 nan 0.000 0.274 328 P C -0.003 177.296 177.300 -0.002 0.000 1.246 328 P CA -0.500 62.602 63.100 0.004 0.000 0.795 328 P CB 0.757 32.444 31.700 -0.022 0.000 1.006 329 I N 0.713 121.272 120.570 -0.018 0.000 2.775 329 I HA -0.019 4.152 4.170 0.000 0.000 0.290 329 I C 1.268 177.347 176.117 -0.065 0.000 1.203 329 I CA 0.210 61.491 61.300 -0.032 0.000 1.433 329 I CB -0.957 37.006 38.000 -0.061 0.000 1.354 329 I HN 0.524 nan 8.210 nan 0.000 0.579 330 E N 6.865 127.047 120.200 -0.029 0.000 2.259 330 E HA 0.351 4.701 4.350 0.000 0.000 0.281 330 E C -1.043 175.556 176.600 -0.002 0.000 1.037 330 E CA -0.407 55.974 56.400 -0.031 0.000 0.854 330 E CB 0.685 30.362 29.700 -0.038 0.000 1.051 330 E HN 0.428 nan 8.360 nan 0.000 0.409 331 I N 5.262 125.779 120.570 -0.088 0.000 2.410 331 I HA 0.388 4.558 4.170 0.000 0.000 0.286 331 I C -0.124 175.953 176.117 -0.068 0.000 1.009 331 I CA -0.694 60.548 61.300 -0.097 0.000 1.111 331 I CB 1.618 39.441 38.000 -0.295 0.000 1.262 331 I HN 0.408 nan 8.210 nan 0.000 0.443 332 R N 5.174 125.703 120.500 0.048 0.000 2.502 332 R HA 0.310 4.651 4.340 0.000 0.000 0.300 332 R C -0.856 175.473 176.300 0.047 0.000 0.984 332 R CA -0.340 55.778 56.100 0.030 0.000 0.882 332 R CB 1.010 31.323 30.300 0.021 0.000 1.180 332 R HN 0.688 nan 8.270 nan 0.000 0.444 333 D N 3.253 123.617 120.400 -0.061 0.000 2.772 333 D HA -0.176 4.465 4.640 0.000 0.000 0.233 333 D C 0.633 176.825 176.300 -0.179 0.000 1.143 333 D CA 2.041 56.002 54.000 -0.065 0.000 0.700 333 D CB -0.711 40.128 40.800 0.064 0.000 1.076 333 D HN 1.057 nan 8.370 nan 0.000 0.430 334 G N -1.450 107.055 108.800 -0.492 0.000 2.147 334 G HA2 -0.342 3.618 3.960 0.000 0.000 0.244 334 G HA3 -0.342 3.618 3.960 0.000 0.000 0.244 334 G C -0.184 174.383 174.900 -0.554 0.000 1.005 334 G CA 0.240 44.959 45.100 -0.635 0.000 0.713 334 G HN 0.479 nan 8.290 nan 0.000 0.515 335 Y N 0.185 120.326 120.300 -0.265 0.000 2.376 335 Y HA 0.653 5.203 4.550 0.000 0.000 0.340 335 Y C 0.440 176.142 175.900 -0.330 0.000 0.965 335 Y CA -0.324 57.581 58.100 -0.325 0.000 1.078 335 Y CB 2.131 40.345 38.460 -0.410 0.000 1.193 335 Y HN 0.490 nan 8.280 nan 0.000 0.452 336 A N 3.629 126.320 122.820 -0.215 0.000 2.301 336 A HA 0.671 4.991 4.320 0.000 0.000 0.312 336 A C -1.755 175.631 177.584 -0.330 0.000 1.182 336 A CA -0.443 51.483 52.037 -0.184 0.000 0.826 336 A CB 0.159 19.065 19.000 -0.157 0.000 1.134 336 A HN 0.721 nan 8.150 nan 0.000 0.501 337 Y N 1.115 121.336 120.300 -0.132 0.000 2.331 337 Y HA 0.498 5.048 4.550 0.000 0.000 0.338 337 Y C 0.747 176.511 175.900 -0.227 0.000 0.992 337 Y CA -0.250 57.755 58.100 -0.159 0.000 1.121 337 Y CB 1.867 40.255 38.460 -0.120 0.000 1.184 337 Y HN 0.802 nan 8.280 nan 0.000 0.469 338 A N 6.832 129.507 122.820 -0.241 0.000 2.396 338 A HA 0.415 4.736 4.320 0.000 0.000 0.279 338 A C -2.394 175.122 177.584 -0.114 0.000 1.165 338 A CA -1.456 50.329 52.037 -0.419 0.000 0.824 338 A CB -0.453 18.034 19.000 -0.854 0.000 1.100 338 A HN 0.432 nan 8.150 nan 0.000 0.516 339 P HA 0.115 nan 4.420 nan 0.000 0.274 339 P C -0.410 177.057 177.300 0.277 0.000 1.237 339 P CA -0.152 63.047 63.100 0.165 0.000 0.793 339 P CB 0.805 32.602 31.700 0.162 0.000 0.977 340 D N 1.082 121.602 120.400 0.200 0.000 2.690 340 D HA 0.064 4.704 4.640 0.000 0.000 0.236 340 D C 0.011 176.390 176.300 0.133 0.000 1.218 340 D CA -0.095 54.017 54.000 0.186 0.000 0.829 340 D CB -0.304 40.572 40.800 0.127 0.000 1.009 340 D HN 0.204 nan 8.370 nan 0.000 0.482 341 R N 0.689 121.279 120.500 0.151 0.000 2.643 341 R HA 0.462 4.802 4.340 0.000 0.000 0.272 341 R C -2.236 174.121 176.300 0.094 0.000 0.995 341 R CA -1.860 54.306 56.100 0.110 0.000 1.032 341 R CB 1.049 31.419 30.300 0.117 0.000 1.126 341 R HN 0.105 nan 8.270 nan 0.000 0.505 342 P HA 0.013 nan 4.420 nan 0.000 0.269 342 P C 0.379 177.677 177.300 -0.003 0.000 1.209 342 P CA 0.501 63.613 63.100 0.021 0.000 0.776 342 P CB 0.644 32.351 31.700 0.011 0.000 0.876 343 G N 2.823 111.592 108.800 -0.051 0.000 2.569 343 G HA2 -0.281 3.679 3.960 0.000 0.000 0.259 343 G HA3 -0.281 3.679 3.960 0.000 0.000 0.259 343 G C 0.609 175.411 174.900 -0.163 0.000 1.263 343 G CA 0.629 45.643 45.100 -0.143 0.000 0.928 343 G HN 0.815 nan 8.290 nan 0.000 0.572 344 H N 0.009 119.026 119.070 -0.089 0.000 2.551 344 H HA 0.429 4.985 4.556 0.000 0.000 0.266 344 H C 2.084 177.571 175.328 0.265 0.000 0.977 344 H CA 1.261 57.251 56.048 -0.097 0.000 1.163 344 H CB -0.222 29.580 29.762 0.067 0.000 1.381 344 H HN 2.328 nan 8.280 nan 0.000 0.581 345 G N -0.058 108.975 108.800 0.388 0.000 2.175 345 G HA2 -0.246 3.714 3.960 0.000 0.000 0.244 345 G HA3 -0.246 3.714 3.960 0.000 0.000 0.244 345 G C -0.079 175.007 174.900 0.311 0.000 0.982 345 G CA 0.111 45.394 45.100 0.306 0.000 0.641 345 G HN 0.407 nan 8.290 nan 0.000 0.527 346 L N 0.999 122.513 121.223 0.486 0.000 2.289 346 L HA 0.741 5.081 4.340 0.000 0.000 0.285 346 L C 0.040 177.104 176.870 0.323 0.000 1.049 346 L CA -1.170 53.876 54.840 0.344 0.000 0.804 346 L CB 1.889 44.101 42.059 0.256 0.000 1.195 346 L HN -0.055 nan 8.230 nan 0.000 0.428 347 V N 3.741 123.783 119.914 0.214 0.000 2.638 347 V HA 0.287 4.407 4.120 0.000 0.000 0.306 347 V C -0.120 176.065 176.094 0.151 0.000 1.052 347 V CA -0.719 61.677 62.300 0.160 0.000 0.885 347 V CB 2.205 34.095 31.823 0.112 0.000 0.999 347 V HN 0.446 nan 8.190 nan 0.000 0.424 348 L N 3.596 124.904 121.223 0.141 0.000 2.490 348 L HA 0.225 4.565 4.340 0.000 0.000 0.274 348 L C 0.886 177.828 176.870 0.120 0.000 1.201 348 L CA 1.077 56.005 54.840 0.146 0.000 0.869 348 L CB 1.287 43.426 42.059 0.133 0.000 1.123 348 L HN 0.858 nan 8.230 nan 0.000 0.484 349 S N 3.541 119.309 115.700 0.114 0.000 2.474 349 S HA 0.134 4.604 4.470 0.000 0.000 0.276 349 S C 1.060 175.739 174.600 0.131 0.000 1.227 349 S CA -0.555 57.709 58.200 0.107 0.000 1.050 349 S CB 0.358 63.616 63.200 0.097 0.000 0.939 349 S HN 0.708 nan 8.310 nan 0.000 0.490 350 E N 4.674 124.936 120.200 0.105 0.000 2.110 350 E HA -0.128 4.222 4.350 0.000 0.000 0.193 350 E C 1.648 178.314 176.600 0.110 0.000 0.988 350 E CA 1.068 57.527 56.400 0.099 0.000 0.804 350 E CB -0.145 29.594 29.700 0.065 0.000 0.745 350 E HN 0.716 nan 8.360 nan 0.000 0.458 351 K N 0.657 121.122 120.400 0.108 0.000 2.001 351 K HA -0.170 4.150 4.320 0.000 0.000 0.214 351 K C 2.125 178.833 176.600 0.179 0.000 1.050 351 K CA 1.758 58.114 56.287 0.115 0.000 0.934 351 K CB -0.193 32.375 32.500 0.112 0.000 0.718 351 K HN 0.094 nan 8.250 nan 0.000 0.443 352 A N 0.952 123.924 122.820 0.253 0.000 1.930 352 A HA -0.150 4.170 4.320 0.000 0.000 0.217 352 A C 2.034 179.906 177.584 0.481 0.000 1.175 352 A CA 1.208 53.506 52.037 0.435 0.000 0.627 352 A CB -0.452 18.759 19.000 0.351 0.000 0.815 352 A HN 0.239 nan 8.150 nan 0.000 0.443 353 R N -0.406 120.318 120.500 0.374 0.000 2.127 353 R HA -0.156 4.184 4.340 0.000 0.000 0.238 353 R C 2.130 178.561 176.300 0.219 0.000 1.134 353 R CA 1.625 57.948 56.100 0.372 0.000 0.975 353 R CB -0.532 29.907 30.300 0.232 0.000 0.865 353 R HN 0.506 nan 8.270 nan 0.000 0.447 354 G N -0.035 108.856 108.800 0.151 0.000 2.404 354 G HA2 -0.201 3.759 3.960 0.000 0.000 0.213 354 G HA3 -0.201 3.759 3.960 0.000 0.000 0.213 354 G C 1.185 176.099 174.900 0.024 0.000 1.189 354 G CA 0.312 45.451 45.100 0.064 0.000 0.796 354 G HN 0.333 nan 8.290 nan 0.000 0.532 355 E N -0.533 119.660 120.200 -0.013 0.000 2.051 355 E HA -0.112 4.239 4.350 0.000 0.000 0.192 355 E C 1.974 178.400 176.600 -0.290 0.000 0.991 355 E CA 1.190 57.430 56.400 -0.267 0.000 0.799 355 E CB -0.136 29.270 29.700 -0.489 0.000 0.748 355 E HN 0.702 nan 8.360 nan 0.000 0.449 356 W N 0.157 121.591 121.300 0.223 0.000 3.177 356 W HA 0.246 4.907 4.660 0.001 0.000 0.309 356 W C 0.702 177.433 176.519 0.353 0.000 1.224 356 W CA -0.536 57.004 57.345 0.326 0.000 1.718 356 W CB 0.436 30.120 29.460 0.373 0.000 1.078 356 W HN -0.200 nan 8.180 nan 0.000 0.618 357 S N 2.187 118.053 115.700 0.277 0.000 2.563 357 S HA 0.048 4.518 4.470 0.000 0.000 0.294 357 S C 0.349 174.942 174.600 -0.012 0.000 1.279 357 S CA 0.300 58.422 58.200 -0.131 0.000 1.069 357 S CB 0.169 63.277 63.200 -0.154 0.000 0.828 357 S HN 0.046 nan 8.310 nan 0.000 0.497 358 R N 5.172 125.639 120.500 -0.055 0.000 2.629 358 R HA 0.240 4.580 4.340 0.000 0.000 0.275 358 R C -2.484 173.803 176.300 -0.022 0.000 1.719 358 R CA -1.695 54.420 56.100 0.025 0.000 1.472 358 R CB 0.978 31.353 30.300 0.125 0.000 1.237 358 R HN 0.438 nan 8.270 nan 0.000 0.589 359 P HA -0.025 nan 4.420 nan 0.000 0.226 359 P C -0.168 177.122 177.300 -0.016 0.000 1.153 359 P CA 0.770 63.843 63.100 -0.045 0.000 0.777 359 P CB 0.430 32.101 31.700 -0.048 0.000 0.794 360 R N 0.182 120.682 120.500 0.000 0.000 2.393 360 R HA 0.343 4.684 4.340 0.000 0.000 0.310 360 R C 0.304 176.618 176.300 0.023 0.000 0.968 360 R CA -0.846 55.261 56.100 0.011 0.000 0.867 360 R CB 1.297 31.604 30.300 0.011 0.000 1.124 360 R HN -0.069 nan 8.270 nan 0.000 0.450 361 R N 4.022 124.535 120.500 0.022 0.000 2.458 361 R HA 0.058 4.398 4.340 0.000 0.000 0.303 361 R C -0.709 175.610 176.300 0.032 0.000 1.013 361 R CA 0.253 56.369 56.100 0.028 0.000 1.026 361 R CB 0.242 30.555 30.300 0.022 0.000 0.948 361 R HN 0.496 nan 8.270 nan 0.000 0.417 362 L N 3.580 124.829 121.223 0.042 0.000 2.334 362 L HA 0.539 4.879 4.340 0.000 0.000 0.272 362 L C 0.459 177.353 176.870 0.039 0.000 1.020 362 L CA -1.186 53.680 54.840 0.044 0.000 0.812 362 L CB 1.632 43.728 42.059 0.061 0.000 1.264 362 L HN 0.708 nan 8.230 nan 0.000 0.439 363 A N 0.999 123.840 122.820 0.036 0.000 2.425 363 A HA 0.162 4.482 4.320 0.000 0.000 0.242 363 A C 1.111 178.719 177.584 0.039 0.000 1.077 363 A CA -0.180 51.877 52.037 0.033 0.000 0.781 363 A CB 0.333 19.350 19.000 0.028 0.000 1.020 363 A HN 0.837 nan 8.150 nan 0.000 0.494 364 R N 1.069 121.590 120.500 0.034 0.000 2.139 364 R HA -0.147 4.193 4.340 0.000 0.000 0.243 364 R C 2.029 178.356 176.300 0.045 0.000 1.145 364 R CA 2.589 58.711 56.100 0.037 0.000 0.976 364 R CB -0.867 29.450 30.300 0.027 0.000 0.866 364 R HN 0.848 nan 8.270 nan 0.000 0.449 365 S N -0.725 114.999 115.700 0.040 0.000 2.561 365 S HA -0.001 4.469 4.470 0.000 0.000 0.225 365 S C 0.856 175.484 174.600 0.047 0.000 0.977 365 S CA 0.675 58.899 58.200 0.040 0.000 0.926 365 S CB -0.036 63.183 63.200 0.032 0.000 0.769 365 S HN 0.515 nan 8.310 nan 0.000 0.533 366 E N 0.586 120.818 120.200 0.054 0.000 2.476 366 E HA 0.304 4.654 4.350 0.000 0.000 0.196 366 E C 0.964 177.613 176.600 0.082 0.000 1.029 366 E CA -0.145 56.290 56.400 0.058 0.000 0.896 366 E CB 0.051 29.781 29.700 0.050 0.000 1.012 366 E HN 0.475 nan 8.360 nan 0.000 0.475 367 L N 0.303 121.585 121.223 0.099 0.000 2.509 367 L HA 0.138 4.479 4.340 0.000 0.000 0.222 367 L C 1.277 178.252 176.870 0.175 0.000 1.123 367 L CA 0.325 55.254 54.840 0.149 0.000 0.856 367 L CB -0.637 41.513 42.059 0.152 0.000 0.985 367 L HN 0.239 nan 8.230 nan 0.000 0.456 368 G N 0.506 109.382 108.800 0.128 0.000 2.641 368 G HA2 -0.280 3.680 3.960 0.000 0.000 0.254 368 G HA3 -0.280 3.680 3.960 0.000 0.000 0.254 368 G C 0.129 175.122 174.900 0.156 0.000 1.315 368 G CA -0.333 44.841 45.100 0.123 0.000 0.907 368 G HN 0.493 nan 8.290 nan 0.000 0.572 369 A N -0.204 122.710 122.820 0.156 0.000 2.483 369 A HA 0.703 5.024 4.320 0.000 0.000 0.238 369 A C 1.128 178.849 177.584 0.228 0.000 1.070 369 A CA 1.276 53.410 52.037 0.162 0.000 0.770 369 A CB 0.002 19.084 19.000 0.137 0.000 1.008 369 A HN 2.534 nan 8.150 nan 0.000 0.497 370 A N 3.884 126.795 122.820 0.151 0.000 2.488 370 A HA 0.529 4.849 4.320 0.000 0.000 0.249 370 A C -2.095 175.492 177.584 0.005 0.000 1.083 370 A CA -1.121 50.978 52.037 0.104 0.000 0.768 370 A CB -0.716 18.329 19.000 0.075 0.000 1.017 370 A HN 0.669 nan 8.150 nan 0.000 0.496 371 P HA 0.036 nan 4.420 nan 0.000 0.263 371 P C -0.144 176.997 177.300 -0.265 0.000 1.175 371 P CA 0.422 63.166 63.100 -0.593 0.000 0.761 371 P CB 0.339 31.077 31.700 -1.603 0.000 0.794 372 E N 1.981 122.092 120.200 -0.148 0.000 2.392 372 E HA 0.043 4.393 4.350 0.000 0.000 0.264 372 E C 0.344 176.903 176.600 -0.069 0.000 1.024 372 E CA 0.136 56.498 56.400 -0.064 0.000 0.903 372 E CB 0.153 29.845 29.700 -0.013 0.000 0.963 372 E HN 0.252 nan 8.360 nan 0.000 0.432 373 N N 4.197 122.874 118.700 -0.038 0.000 2.816 373 N HA 0.181 4.922 4.740 0.000 0.000 0.236 373 N C -2.176 173.337 175.510 0.004 0.000 1.076 373 N CA -2.187 50.852 53.050 -0.018 0.000 0.902 373 N CB 0.926 39.396 38.487 -0.029 0.000 1.149 373 N HN 0.212 nan 8.380 nan 0.000 0.506 374 P HA -0.035 nan 4.420 nan 0.000 0.231 374 P C 0.780 178.131 177.300 0.085 0.000 1.158 374 P CA 0.557 63.681 63.100 0.041 0.000 0.763 374 P CB 0.509 32.238 31.700 0.047 0.000 0.805 375 R N -0.931 119.641 120.500 0.120 0.000 2.276 375 R HA 0.248 4.588 4.340 0.000 0.000 0.196 375 R C 1.092 177.588 176.300 0.326 0.000 0.961 375 R CA 0.096 56.354 56.100 0.262 0.000 1.024 375 R CB -0.268 30.215 30.300 0.305 0.000 0.940 375 R HN 0.320 nan 8.270 nan 0.000 0.480 376 L N 0.883 122.155 121.223 0.080 0.000 2.319 376 L HA 0.420 4.761 4.340 0.000 0.000 0.267 376 L C -1.985 174.689 176.870 -0.326 0.000 1.011 376 L CA -2.218 52.526 54.840 -0.160 0.000 0.818 376 L CB 1.652 43.623 42.059 -0.147 0.000 1.316 376 L HN -0.160 nan 8.230 nan 0.000 0.432 377 P HA 0.000 nan 4.420 nan 0.000 0.216 377 P CA 0.000 62.880 63.100 -0.367 0.000 0.800 377 P CB 0.000 31.497 31.700 -0.339 0.000 0.726