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 1fgm_1_A DATA FIRST_RESID 7 DATA SEQUENCE KIKGTVVLMP KNELXXXXXX XXXXNLNAFL GRSVSLQLIS ATKADAHGKG DATA SEQUENCE KVGKDTFLEG INTSLPTLGA GESAFNIHFE WDGSMGIPGA FYIKNYMQVE DATA SEQUENCE FFLKSLTLEA XXXXXTIRFV CNSWVYNTKL YKSVRIFFAN HTYVPSETPA DATA SEQUENCE PLVSYREEEL KSLRGNGTGE RKEYDRIYDY DVYNDLGNPD KSEKLARPVL DATA SEQUENCE GGSSTFPYPR RGRTGRGPTV TDPNTEKQGE VFYVPRDENL GHLKSKDALE DATA SEQUENCE IGTKSLSQIV QPAFESAFDL KSTPIEFHSF QDVHDLYEGG IKLPRDVIST DATA SEQUENCE IIPLPVIKEL YRTDGQHILK FPQPHVVQVS QSAWMTDEEF AREMIAGVNP DATA SEQUENCE CVIRGLEEFP PKSNLDPAIY GDQSSKITAD SLDLDGYTMD EALGSRRLFM DATA SEQUENCE LDYHDIFMPY VRQINQLNSA KTYATRTILF LREDGTLKPV AIELSLPHSA DATA SEQUENCE GDLSAAVSQV VLPAKEGVES TIWLLAKAYV IVNDSCYHQL MSHWLNTHAA DATA SEQUENCE MEPFVIATHR HLSVLHPIYK LLTPHYRNNM NINALARQSL INANGIIETT DATA SEQUENCE FLPSKYSVEM SSAVYKNWVF TDQALPADLI KRGVAIKDPS TPHGVRLLIE DATA SEQUENCE DYPYAADGLE IWAAIKTWVQ EYVPLYYARD DDVKNDSELQ HWWKEAVEKG DATA SEQUENCE HGDLKDKPWW PKLQTLEDLV EVCLIIIWIA SALHAAVHFG QYPYGGLIMN DATA SEQUENCE RPTASRRLLP EKGTPEYEEM INNHEKAYLR TITSKLPTLI SLSVIEILST DATA SEQUENCE HASDEVYLGQ RDNPHWTSDS KALQAFQKFG NKLKEIEEKL VRRNNDPSLQ DATA SEQUENCE GNRLGPVQLP YTLLYPSSEE GLTFRGIPNS ISI 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 7 K HA 0.000 nan 4.320 nan 0.000 0.191 7 K C 0.000 176.737 176.600 0.228 0.000 0.988 7 K CA 0.000 56.413 56.287 0.210 0.000 0.838 7 K CB 0.000 32.619 32.500 0.199 0.000 1.064 8 I N 2.424 123.151 120.570 0.262 0.000 2.312 8 I HA 0.205 4.376 4.170 0.003 0.000 0.290 8 I C 0.028 176.224 176.117 0.133 0.000 1.008 8 I CA -0.609 60.807 61.300 0.192 0.000 1.226 8 I CB 1.195 39.290 38.000 0.159 0.000 1.371 8 I HN 0.368 nan 8.210 nan 0.000 0.468 9 K N 5.453 125.865 120.400 0.019 0.000 2.339 9 K HA 0.510 4.832 4.320 0.003 0.000 0.286 9 K C -0.094 176.413 176.600 -0.155 0.000 1.050 9 K CA -0.159 55.985 56.287 -0.238 0.000 0.956 9 K CB 0.893 33.314 32.500 -0.132 0.000 0.990 9 K HN 0.823 nan 8.250 nan 0.000 0.475 10 G N 1.687 110.355 108.800 -0.221 0.000 2.574 10 G HA2 0.485 4.446 3.960 0.003 0.000 0.299 10 G HA3 0.485 4.446 3.960 0.003 0.000 0.299 10 G C -1.347 173.471 174.900 -0.137 0.000 1.298 10 G CA -0.534 44.512 45.100 -0.090 0.000 0.952 10 G HN 0.500 nan 8.290 nan 0.000 0.477 11 T N 0.303 114.796 114.554 -0.103 0.000 2.841 11 T HA 0.510 4.862 4.350 0.003 0.000 0.285 11 T C -0.634 174.011 174.700 -0.093 0.000 0.991 11 T CA -0.321 61.725 62.100 -0.089 0.000 0.966 11 T CB 1.772 70.595 68.868 -0.075 0.000 0.962 11 T HN 0.368 nan 8.240 nan 0.000 0.438 12 V N 3.932 123.808 119.914 -0.063 0.000 2.417 12 V HA 0.490 4.611 4.120 0.003 0.000 0.291 12 V C -0.155 175.930 176.094 -0.015 0.000 1.024 12 V CA -0.681 61.569 62.300 -0.083 0.000 0.861 12 V CB 1.699 33.450 31.823 -0.119 0.000 0.985 12 V HN 0.706 nan 8.190 nan 0.000 0.436 13 V N 6.930 126.811 119.914 -0.056 0.000 2.435 13 V HA 0.686 4.808 4.120 0.003 0.000 0.290 13 V C -0.293 175.759 176.094 -0.071 0.000 1.030 13 V CA -0.396 61.882 62.300 -0.037 0.000 0.881 13 V CB 1.418 33.218 31.823 -0.038 0.000 0.983 13 V HN 0.800 nan 8.190 nan 0.000 0.445 14 L N 2.546 123.733 121.223 -0.059 0.000 2.491 14 L HA 0.785 5.127 4.340 0.003 0.000 0.254 14 L C -0.843 176.005 176.870 -0.038 0.000 1.048 14 L CA -0.861 53.922 54.840 -0.096 0.000 0.855 14 L CB 2.269 44.168 42.059 -0.267 0.000 1.466 14 L HN 0.620 nan 8.230 nan 0.000 0.409 15 M N 1.521 121.145 119.600 0.040 0.000 2.197 15 M HA 0.631 5.112 4.480 0.003 0.000 0.301 15 M C -2.728 173.678 176.300 0.178 0.000 0.987 15 M CA -1.578 53.780 55.300 0.096 0.000 0.921 15 M CB 2.436 35.114 32.600 0.131 0.000 1.569 15 M HN 0.483 nan 8.290 nan 0.000 0.431 16 P HA 0.108 nan 4.420 nan 0.000 0.271 16 P C -0.169 177.363 177.300 0.387 0.000 1.218 16 P CA -0.055 63.305 63.100 0.433 0.000 0.780 16 P CB 0.670 32.639 31.700 0.449 0.000 0.901 17 K N 3.569 124.249 120.400 0.467 0.000 2.089 17 K HA -0.259 4.062 4.320 0.003 0.000 0.210 17 K C 1.429 178.211 176.600 0.303 0.000 1.048 17 K CA 1.938 58.508 56.287 0.472 0.000 0.926 17 K CB -0.394 32.308 32.500 0.337 0.000 0.714 17 K HN 0.495 nan 8.250 nan 0.000 0.448 18 N N 0.359 119.195 118.700 0.227 0.000 2.585 18 N HA -0.172 4.569 4.740 0.003 0.000 0.188 18 N C 0.520 176.120 175.510 0.150 0.000 1.102 18 N CA 0.910 54.057 53.050 0.161 0.000 0.920 18 N CB -0.025 38.543 38.487 0.134 0.000 0.963 18 N HN 0.316 nan 8.380 nan 0.000 0.447 19 E N 0.206 120.511 120.200 0.175 0.000 2.435 19 E HA 0.193 4.545 4.350 0.003 0.000 0.195 19 E C 0.753 177.431 176.600 0.129 0.000 1.029 19 E CA 0.088 56.570 56.400 0.137 0.000 0.865 19 E CB 0.506 30.283 29.700 0.129 0.000 0.833 19 E HN 0.477 nan 8.360 nan 0.000 0.510 32 L N 0.385 121.795 121.223 0.311 0.000 2.143 32 L HA -0.395 3.947 4.340 0.003 0.000 0.231 32 L C 1.470 178.629 176.870 0.481 0.000 1.106 32 L CA 1.790 56.922 54.840 0.488 0.000 0.827 32 L CB -0.679 41.516 42.059 0.227 0.000 0.915 32 L HN 0.596 nan 8.230 nan 0.000 0.448 33 N N 0.005 118.854 118.700 0.248 0.000 2.247 33 N HA -0.210 4.531 4.740 0.003 0.000 0.189 33 N C 1.729 177.313 175.510 0.123 0.000 1.009 33 N CA 1.676 54.833 53.050 0.178 0.000 0.872 33 N CB -0.313 38.230 38.487 0.094 0.000 0.980 33 N HN 0.501 nan 8.380 nan 0.000 0.436 34 A N -0.175 122.670 122.820 0.042 0.000 2.172 34 A HA -0.034 4.288 4.320 0.003 0.000 0.216 34 A C 1.565 179.022 177.584 -0.212 0.000 1.154 34 A CA 0.655 52.621 52.037 -0.119 0.000 0.701 34 A CB -0.594 18.268 19.000 -0.231 0.000 0.789 34 A HN 0.178 nan 8.150 nan 0.000 0.465 35 F N -0.251 119.683 119.950 -0.027 0.000 2.743 35 F HA 0.238 4.767 4.527 0.003 0.000 0.297 35 F C 1.216 176.938 175.800 -0.129 0.000 1.131 35 F CA 0.063 57.944 58.000 -0.198 0.000 1.426 35 F CB -0.191 38.462 39.000 -0.579 0.000 1.116 35 F HN 0.069 nan 8.300 nan 0.000 0.583 36 L N -1.231 120.080 121.223 0.146 0.000 2.671 36 L HA 0.467 4.809 4.340 0.003 0.000 0.188 36 L C 1.686 178.595 176.870 0.066 0.000 1.165 36 L CA 0.081 54.995 54.840 0.123 0.000 0.926 36 L CB -0.868 41.273 42.059 0.137 0.000 1.664 36 L HN 0.297 nan 8.230 nan 0.000 0.512 37 G N -0.052 108.762 108.800 0.024 0.000 2.574 37 G HA2 -0.336 3.626 3.960 0.003 0.000 0.286 37 G HA3 -0.336 3.626 3.960 0.003 0.000 0.286 37 G C 0.327 175.135 174.900 -0.154 0.000 1.212 37 G CA 0.385 45.446 45.100 -0.066 0.000 0.979 37 G HN 0.645 nan 8.290 nan 0.000 0.557 38 R N 0.438 120.784 120.500 -0.257 0.000 2.694 38 R HA 0.449 4.791 4.340 0.003 0.000 0.334 38 R C 1.896 178.272 176.300 0.127 0.000 1.143 38 R CA 0.480 56.272 56.100 -0.513 0.000 1.073 38 R CB 0.332 30.172 30.300 -0.768 0.000 1.366 38 R HN 0.289 nan 8.270 nan 0.000 0.577 39 S N 0.044 115.890 115.700 0.243 0.000 2.395 39 S HA 0.034 4.506 4.470 0.003 0.000 0.225 39 S C 0.787 175.670 174.600 0.471 0.000 1.027 39 S CA 0.569 58.954 58.200 0.308 0.000 0.965 39 S CB 0.476 63.746 63.200 0.117 0.000 0.812 39 S HN 0.028 nan 8.310 nan 0.000 0.482 40 V N 1.986 122.168 119.914 0.446 0.000 2.525 40 V HA 0.566 4.688 4.120 0.003 0.000 0.299 40 V C -0.572 175.593 176.094 0.118 0.000 1.034 40 V CA -0.756 61.716 62.300 0.285 0.000 0.863 40 V CB 1.713 33.588 31.823 0.086 0.000 0.999 40 V HN 0.301 nan 8.190 nan 0.000 0.423 41 S N 5.898 121.558 115.700 -0.066 0.000 2.513 41 S HA 0.916 5.388 4.470 0.003 0.000 0.299 41 S C -1.222 173.308 174.600 -0.116 0.000 1.087 41 S CA -0.611 57.325 58.200 -0.440 0.000 1.012 41 S CB 1.803 64.415 63.200 -0.981 0.000 1.044 41 S HN 0.396 nan 8.310 nan 0.000 0.485 42 L N 2.177 123.369 121.223 -0.053 0.000 2.341 42 L HA 0.622 4.964 4.340 0.003 0.000 0.267 42 L C -0.224 176.790 176.870 0.240 0.000 1.009 42 L CA -0.287 54.647 54.840 0.156 0.000 0.819 42 L CB 2.037 44.189 42.059 0.155 0.000 1.323 42 L HN 0.791 nan 8.230 nan 0.000 0.425 43 Q N 2.260 122.209 119.800 0.248 0.000 2.290 43 Q HA 0.563 4.905 4.340 0.003 0.000 0.269 43 Q C -1.312 174.725 176.000 0.063 0.000 1.016 43 Q CA -0.541 55.395 55.803 0.221 0.000 0.754 43 Q CB 2.453 31.352 28.738 0.268 0.000 1.247 43 Q HN 0.463 nan 8.270 nan 0.000 0.451 44 L N 3.216 124.365 121.223 -0.123 0.000 2.439 44 L HA 0.389 4.731 4.340 0.003 0.000 0.269 44 L C -0.138 176.653 176.870 -0.132 0.000 1.179 44 L CA -0.008 54.590 54.840 -0.404 0.000 0.828 44 L CB 0.382 41.864 42.059 -0.961 0.000 1.106 44 L HN 0.500 nan 8.230 nan 0.000 0.467 45 I N 1.139 121.583 120.570 -0.210 0.000 2.465 45 I HA 0.178 4.350 4.170 0.003 0.000 0.291 45 I C 0.033 176.185 176.117 0.059 0.000 1.014 45 I CA -0.260 61.012 61.300 -0.047 0.000 1.093 45 I CB 2.107 39.894 38.000 -0.356 0.000 1.267 45 I HN 0.498 nan 8.210 nan 0.000 0.431 46 S N 3.547 119.446 115.700 0.332 0.000 2.545 46 S HA 0.470 4.941 4.470 0.003 0.000 0.275 46 S C 0.841 175.583 174.600 0.236 0.000 1.299 46 S CA -0.127 58.290 58.200 0.362 0.000 1.048 46 S CB 1.278 64.771 63.200 0.489 0.000 0.938 46 S HN 0.734 nan 8.310 nan 0.000 0.496 47 A N 3.279 126.210 122.820 0.185 0.000 2.220 47 A HA 0.176 4.497 4.320 0.003 0.000 0.211 47 A C 1.763 179.409 177.584 0.103 0.000 1.176 47 A CA 0.843 52.967 52.037 0.146 0.000 0.834 47 A CB -0.308 18.772 19.000 0.134 0.000 0.868 47 A HN 0.908 nan 8.150 nan 0.000 0.488 48 T N -4.077 110.551 114.554 0.125 0.000 2.964 48 T HA 0.291 4.642 4.350 0.003 0.000 0.249 48 T C 0.453 175.204 174.700 0.085 0.000 1.000 48 T CA 0.153 62.304 62.100 0.086 0.000 0.992 48 T CB 0.054 68.971 68.868 0.082 0.000 1.087 48 T HN 0.082 nan 8.240 nan 0.000 0.489 49 K N 1.801 122.274 120.400 0.121 0.000 2.307 49 K HA 0.783 5.105 4.320 0.003 0.000 0.263 49 K C -0.995 175.663 176.600 0.095 0.000 0.973 49 K CA -0.467 55.871 56.287 0.086 0.000 0.846 49 K CB 1.526 34.066 32.500 0.067 0.000 1.100 49 K HN 0.385 nan 8.250 nan 0.000 0.438 50 A N 3.236 126.094 122.820 0.062 0.000 2.356 50 A HA 0.547 4.868 4.320 0.003 0.000 0.323 50 A C -0.721 176.887 177.584 0.041 0.000 1.119 50 A CA -0.768 51.307 52.037 0.063 0.000 0.790 50 A CB 0.569 19.593 19.000 0.040 0.000 1.273 50 A HN 0.871 nan 8.150 nan 0.000 0.452 51 D N 0.721 121.153 120.400 0.054 0.000 2.376 51 D HA 0.366 5.008 4.640 0.003 0.000 0.268 51 D C 1.099 177.390 176.300 -0.015 0.000 1.252 51 D CA 0.217 54.236 54.000 0.033 0.000 1.041 51 D CB 0.136 40.980 40.800 0.074 0.000 1.109 51 D HN 0.493 nan 8.370 nan 0.000 0.552 52 A N -1.657 121.117 122.820 -0.078 0.000 2.248 52 A HA -0.111 4.210 4.320 0.003 0.000 0.210 52 A C 1.112 178.504 177.584 -0.320 0.000 1.174 52 A CA 0.760 52.677 52.037 -0.201 0.000 0.750 52 A CB -0.732 18.104 19.000 -0.272 0.000 0.780 52 A HN 0.564 nan 8.150 nan 0.000 0.478 53 H N -1.997 117.067 119.070 -0.010 0.000 2.893 53 H HA 0.263 4.821 4.556 0.003 0.000 0.270 53 H C 1.574 176.875 175.328 -0.044 0.000 1.095 53 H CA 0.558 56.591 56.048 -0.024 0.000 1.186 53 H CB 0.600 30.347 29.762 -0.025 0.000 1.562 53 H HN 0.575 nan 8.280 nan 0.000 0.536 54 G N 1.571 110.398 108.800 0.044 0.000 2.176 54 G HA2 -0.259 3.703 3.960 0.003 0.000 0.253 54 G HA3 -0.259 3.703 3.960 0.003 0.000 0.253 54 G C 0.170 175.051 174.900 -0.031 0.000 0.979 54 G CA -0.097 45.005 45.100 0.004 0.000 0.641 54 G HN 0.282 nan 8.290 nan 0.000 0.530 55 K N 0.837 121.216 120.400 -0.036 0.000 2.172 55 K HA 0.529 4.851 4.320 0.003 0.000 0.276 55 K C 1.031 177.673 176.600 0.069 0.000 1.013 55 K CA -0.185 56.011 56.287 -0.152 0.000 0.913 55 K CB 1.398 33.739 32.500 -0.267 0.000 1.055 55 K HN 0.319 nan 8.250 nan 0.000 0.461 56 G N 2.917 111.856 108.800 0.231 0.000 2.224 56 G HA2 -0.110 3.852 3.960 0.003 0.000 0.239 56 G HA3 -0.110 3.852 3.960 0.003 0.000 0.239 56 G C -0.282 174.830 174.900 0.354 0.000 1.240 56 G CA -0.187 45.126 45.100 0.354 0.000 0.896 56 G HN 0.501 nan 8.290 nan 0.000 0.496 57 K N 0.488 121.040 120.400 0.253 0.000 2.414 57 K HA 0.227 4.548 4.320 0.003 0.000 0.272 57 K C -0.031 176.741 176.600 0.288 0.000 0.993 57 K CA -0.163 56.250 56.287 0.211 0.000 0.964 57 K CB 1.116 33.668 32.500 0.087 0.000 0.925 57 K HN 0.205 nan 8.250 nan 0.000 0.487 58 V N 2.248 122.314 119.914 0.253 0.000 2.459 58 V HA 0.289 4.411 4.120 0.003 0.000 0.295 58 V C 0.846 177.104 176.094 0.274 0.000 1.029 58 V CA -0.807 61.669 62.300 0.294 0.000 0.874 58 V CB 1.500 33.502 31.823 0.297 0.000 0.985 58 V HN 0.978 nan 8.190 nan 0.000 0.438 59 G N 3.480 112.528 108.800 0.413 0.000 2.516 59 G HA2 0.324 4.285 3.960 0.003 0.000 0.276 59 G HA3 0.324 4.285 3.960 0.003 0.000 0.276 59 G C -0.218 174.837 174.900 0.257 0.000 1.390 59 G CA -0.665 44.653 45.100 0.363 0.000 1.050 59 G HN 0.659 nan 8.290 nan 0.000 0.519 60 K N 0.262 120.806 120.400 0.240 0.000 2.118 60 K HA 0.171 4.492 4.320 0.003 0.000 0.264 60 K C -0.645 176.062 176.600 0.178 0.000 1.000 60 K CA -0.496 55.902 56.287 0.184 0.000 0.929 60 K CB 0.867 33.463 32.500 0.160 0.000 1.021 60 K HN 0.347 nan 8.250 nan 0.000 0.463 61 D N 2.201 122.673 120.400 0.120 0.000 2.472 61 D HA -0.007 4.635 4.640 0.003 0.000 0.248 61 D C -0.492 175.776 176.300 -0.053 0.000 1.174 61 D CA 0.796 54.799 54.000 0.005 0.000 0.883 61 D CB 0.648 41.439 40.800 -0.015 0.000 1.149 61 D HN 0.333 nan 8.370 nan 0.000 0.488 62 T N 3.085 117.549 114.554 -0.149 0.000 2.812 62 T HA 0.374 4.726 4.350 0.003 0.000 0.282 62 T C -0.034 174.468 174.700 -0.329 0.000 0.990 62 T CA -0.586 61.420 62.100 -0.156 0.000 0.960 62 T CB 0.497 69.221 68.868 -0.241 0.000 0.948 62 T HN 0.046 nan 8.240 nan 0.000 0.438 63 F N 1.527 121.457 119.950 -0.033 0.000 2.403 63 F HA 0.502 5.031 4.527 0.003 0.000 0.326 63 F C 0.771 176.528 175.800 -0.071 0.000 1.081 63 F CA -1.489 56.501 58.000 -0.017 0.000 1.041 63 F CB 0.562 39.571 39.000 0.015 0.000 1.234 63 F HN 0.266 nan 8.300 nan 0.000 0.503 64 L N 1.834 123.123 121.223 0.111 0.000 2.525 64 L HA 0.020 4.361 4.340 0.003 0.000 0.278 64 L C 0.871 177.804 176.870 0.106 0.000 1.218 64 L CA 0.397 55.259 54.840 0.037 0.000 0.878 64 L CB 0.316 42.341 42.059 -0.057 0.000 1.127 64 L HN 0.778 nan 8.230 nan 0.000 0.492 65 E N 1.494 121.752 120.200 0.096 0.000 2.201 65 E HA 0.214 4.566 4.350 0.003 0.000 0.193 65 E C 0.681 177.351 176.600 0.117 0.000 0.957 65 E CA 0.337 56.796 56.400 0.098 0.000 0.858 65 E CB 0.594 30.347 29.700 0.089 0.000 0.816 65 E HN 0.831 nan 8.360 nan 0.000 0.475 66 G N 0.148 109.039 108.800 0.152 0.000 2.466 66 G HA2 0.400 4.361 3.960 0.003 0.000 0.291 66 G HA3 0.400 4.361 3.960 0.003 0.000 0.291 66 G C -1.671 173.261 174.900 0.052 0.000 1.460 66 G CA -1.033 44.141 45.100 0.124 0.000 0.791 66 G HN -0.070 nan 8.290 nan 0.000 0.505 67 I N 1.833 122.350 120.570 -0.089 0.000 2.471 67 I HA 0.233 4.405 4.170 0.003 0.000 0.286 67 I C 0.444 176.417 176.117 -0.241 0.000 1.079 67 I CA -0.735 60.343 61.300 -0.370 0.000 1.398 67 I CB 1.155 38.953 38.000 -0.336 0.000 1.403 67 I HN 0.400 nan 8.210 nan 0.000 0.530 68 N N 3.979 122.509 118.700 -0.283 0.000 2.456 68 N HA 0.270 5.012 4.740 0.003 0.000 0.288 68 N C -0.618 174.797 175.510 -0.160 0.000 1.059 68 N CA -0.055 52.896 53.050 -0.165 0.000 0.946 68 N CB 1.344 39.752 38.487 -0.132 0.000 1.150 68 N HN 0.585 nan 8.380 nan 0.000 0.479 69 T N 1.404 115.896 114.554 -0.104 0.000 3.542 69 T HA 0.390 4.742 4.350 0.003 0.000 0.276 69 T C -0.271 174.395 174.700 -0.056 0.000 1.412 69 T CA -0.401 61.648 62.100 -0.085 0.000 1.664 69 T CB -0.312 68.511 68.868 -0.076 0.000 0.863 69 T HN 0.424 nan 8.240 nan 0.000 0.661 70 S N 1.843 117.512 115.700 -0.052 0.000 3.226 70 S HA 0.377 4.849 4.470 0.003 0.000 0.195 70 S C 0.219 174.802 174.600 -0.028 0.000 0.793 70 S CA -0.398 57.781 58.200 -0.034 0.000 0.816 70 S CB -0.206 62.976 63.200 -0.030 0.000 0.847 70 S HN 0.527 nan 8.310 nan 0.000 0.630 71 L N 4.881 126.088 121.223 -0.028 0.000 2.462 71 L HA 0.271 4.612 4.340 0.003 0.000 0.272 71 L C -2.100 174.758 176.870 -0.019 0.000 1.166 71 L CA -1.372 53.457 54.840 -0.019 0.000 0.880 71 L CB 0.198 42.248 42.059 -0.015 0.000 1.142 71 L HN 0.016 nan 8.230 nan 0.000 0.473 72 P HA -0.066 nan 4.420 nan 0.000 0.216 72 P C 0.081 177.377 177.300 -0.007 0.000 1.153 72 P CA 0.966 64.060 63.100 -0.010 0.000 0.848 72 P CB -0.019 31.678 31.700 -0.005 0.000 0.787 73 T N 1.831 116.385 114.554 -0.001 0.000 2.833 73 T HA 0.161 4.512 4.350 0.003 0.000 0.254 73 T C 0.084 174.786 174.700 0.003 0.000 0.972 73 T CA 0.743 62.846 62.100 0.006 0.000 1.246 73 T CB -0.914 67.962 68.868 0.015 0.000 0.949 73 T HN -0.100 nan 8.240 nan 0.000 0.567 74 L N 3.018 124.241 121.223 0.001 0.000 2.691 74 L HA 0.463 4.805 4.340 0.003 0.000 0.239 74 L C 0.092 176.962 176.870 -0.000 0.000 1.062 74 L CA -0.039 54.798 54.840 -0.004 0.000 1.002 74 L CB 0.064 42.108 42.059 -0.024 0.000 1.232 74 L HN 0.549 nan 8.230 nan 0.000 0.542 75 G N 1.499 110.307 108.800 0.012 0.000 3.134 75 G HA2 0.587 4.549 3.960 0.003 0.000 0.158 75 G HA3 0.587 4.549 3.960 0.003 0.000 0.158 75 G C 0.510 175.425 174.900 0.025 0.000 1.334 75 G CA -0.144 44.967 45.100 0.017 0.000 1.001 75 G HN 1.560 nan 8.290 nan 0.000 0.600 76 A N -1.341 121.499 122.820 0.033 0.000 2.364 76 A HA 0.243 4.564 4.320 0.003 0.000 0.288 76 A C 1.890 179.501 177.584 0.045 0.000 1.433 76 A CA 1.596 53.658 52.037 0.042 0.000 0.757 76 A CB -1.699 17.330 19.000 0.048 0.000 1.098 76 A HN 2.812 nan 8.150 nan 0.000 0.380 77 G N -0.956 107.868 108.800 0.041 0.000 2.402 77 G HA2 -0.272 3.690 3.960 0.003 0.000 0.300 77 G HA3 -0.272 3.690 3.960 0.003 0.000 0.300 77 G C -0.012 174.915 174.900 0.044 0.000 0.987 77 G CA 1.123 46.251 45.100 0.047 0.000 0.881 77 G HN 1.118 nan 8.290 nan 0.000 0.512 78 E N -0.264 119.953 120.200 0.028 0.000 2.277 78 E HA 0.607 4.958 4.350 0.003 0.000 0.274 78 E C -0.136 176.449 176.600 -0.025 0.000 1.022 78 E CA -0.321 56.087 56.400 0.014 0.000 0.853 78 E CB 1.230 30.939 29.700 0.015 0.000 1.086 78 E HN 0.157 nan 8.360 nan 0.000 0.397 79 S N 0.758 116.429 115.700 -0.048 0.000 2.536 79 S HA 0.640 5.111 4.470 0.003 0.000 0.287 79 S C -1.056 173.428 174.600 -0.193 0.000 1.101 79 S CA -0.779 57.331 58.200 -0.151 0.000 0.950 79 S CB 1.796 64.891 63.200 -0.176 0.000 1.056 79 S HN 0.580 nan 8.310 nan 0.000 0.481 80 A N 2.239 124.866 122.820 -0.321 0.000 2.312 80 A HA 0.876 5.198 4.320 0.003 0.000 0.326 80 A C -1.239 176.042 177.584 -0.505 0.000 1.172 80 A CA -0.427 51.459 52.037 -0.251 0.000 0.821 80 A CB 0.249 19.150 19.000 -0.164 0.000 1.166 80 A HN 0.654 nan 8.150 nan 0.000 0.493 81 F N 1.608 121.467 119.950 -0.152 0.000 2.529 81 F HA 0.342 4.871 4.527 0.003 0.000 0.320 81 F C 0.258 175.982 175.800 -0.127 0.000 1.118 81 F CA -0.776 57.142 58.000 -0.137 0.000 0.915 81 F CB 2.031 40.925 39.000 -0.175 0.000 1.161 81 F HN 0.498 nan 8.300 nan 0.000 0.445 82 N N 3.434 122.164 118.700 0.050 0.000 2.530 82 N HA 0.572 5.314 4.740 0.003 0.000 0.277 82 N C -1.006 174.485 175.510 -0.032 0.000 1.168 82 N CA -0.091 52.951 53.050 -0.013 0.000 0.979 82 N CB 1.985 40.487 38.487 0.025 0.000 1.141 82 N HN 0.709 nan 8.380 nan 0.000 0.459 83 I N 0.590 121.054 120.570 -0.176 0.000 2.785 83 I HA 0.203 4.375 4.170 0.003 0.000 0.293 83 I C -1.689 174.138 176.117 -0.485 0.000 1.446 83 I CA -0.582 60.553 61.300 -0.275 0.000 1.028 83 I CB 1.514 39.277 38.000 -0.396 0.000 1.349 83 I HN 0.503 nan 8.210 nan 0.000 0.438 84 H N 6.282 125.149 119.070 -0.338 0.000 2.547 84 H HA 0.535 5.093 4.556 0.003 0.000 0.342 84 H C -1.419 173.729 175.328 -0.299 0.000 1.048 84 H CA -0.157 55.768 56.048 -0.206 0.000 1.204 84 H CB 1.496 31.216 29.762 -0.069 0.000 1.493 84 H HN 0.266 nan 8.280 nan 0.000 0.511 85 F N 0.743 120.748 119.950 0.093 0.000 2.421 85 F HA 0.178 4.707 4.527 0.003 0.000 0.337 85 F C 0.882 176.796 175.800 0.190 0.000 1.105 85 F CA -0.812 57.256 58.000 0.115 0.000 1.049 85 F CB 1.194 40.228 39.000 0.056 0.000 1.139 85 F HN 0.514 nan 8.300 nan 0.000 0.479 86 E N 4.491 124.913 120.200 0.370 0.000 2.003 86 E HA 0.007 4.359 4.350 0.003 0.000 0.279 86 E C -1.450 175.373 176.600 0.372 0.000 1.132 86 E CA -0.175 56.393 56.400 0.279 0.000 0.888 86 E CB 0.391 30.201 29.700 0.185 0.000 1.056 86 E HN 0.621 nan 8.360 nan 0.000 0.399 87 W N 5.250 126.624 121.300 0.123 0.000 2.884 87 W HA 0.223 4.884 4.660 0.003 0.000 0.336 87 W C -1.493 175.066 176.519 0.068 0.000 1.038 87 W CA -0.834 56.564 57.345 0.089 0.000 1.247 87 W CB 1.430 30.937 29.460 0.078 0.000 1.351 87 W HN 0.512 nan 8.180 nan 0.000 0.446 88 D N 1.587 121.871 120.400 -0.194 0.000 2.253 88 D HA 0.417 5.059 4.640 0.003 0.000 0.249 88 D C 1.647 177.896 176.300 -0.085 0.000 1.049 88 D CA 0.341 54.289 54.000 -0.087 0.000 0.929 88 D CB 1.868 42.599 40.800 -0.114 0.000 1.176 88 D HN 0.472 nan 8.370 nan 0.000 0.437 89 G N 0.633 109.455 108.800 0.037 0.000 2.499 89 G HA2 -0.271 3.690 3.960 0.003 0.000 0.221 89 G HA3 -0.271 3.690 3.960 0.003 0.000 0.221 89 G C 1.351 176.259 174.900 0.014 0.000 1.109 89 G CA 1.188 46.333 45.100 0.075 0.000 0.749 89 G HN 0.530 nan 8.290 nan 0.000 0.568 90 S N -0.217 115.447 115.700 -0.059 0.000 2.515 90 S HA 0.093 4.565 4.470 0.003 0.000 0.231 90 S C 1.988 176.510 174.600 -0.131 0.000 0.987 90 S CA 0.633 58.787 58.200 -0.076 0.000 0.936 90 S CB -0.111 63.039 63.200 -0.083 0.000 0.766 90 S HN 0.175 nan 8.310 nan 0.000 0.528 91 M N 1.548 120.984 119.600 -0.274 0.000 2.561 91 M HA 0.271 4.753 4.480 0.003 0.000 0.238 91 M C 1.456 177.772 176.300 0.026 0.000 1.131 91 M CA 0.664 55.703 55.300 -0.436 0.000 1.046 91 M CB -1.252 30.451 32.600 -1.494 0.000 1.532 91 M HN 0.602 nan 8.290 nan 0.000 0.497 92 G N 1.594 110.491 108.800 0.162 0.000 2.632 92 G HA2 -0.232 3.730 3.960 0.003 0.000 0.224 92 G HA3 -0.232 3.730 3.960 0.003 0.000 0.224 92 G C -0.431 174.740 174.900 0.450 0.000 1.341 92 G CA -0.826 44.435 45.100 0.269 0.000 0.880 92 G HN 0.366 nan 8.290 nan 0.000 0.566 93 I N 2.971 123.710 120.570 0.281 0.000 2.336 93 I HA 0.341 4.513 4.170 0.003 0.000 0.292 93 I C -1.735 174.437 176.117 0.092 0.000 0.991 93 I CA -2.028 59.377 61.300 0.174 0.000 1.227 93 I CB 2.036 40.097 38.000 0.102 0.000 1.366 93 I HN 0.306 nan 8.210 nan 0.000 0.466 94 P HA 0.069 nan 4.420 nan 0.000 0.271 94 P C 0.378 177.677 177.300 -0.001 0.000 1.220 94 P CA 0.064 63.015 63.100 -0.249 0.000 0.768 94 P CB 1.122 32.416 31.700 -0.677 0.000 0.848 95 G N 1.230 110.078 108.800 0.081 0.000 3.342 95 G HA2 0.522 4.484 3.960 0.003 0.000 0.252 95 G HA3 0.522 4.484 3.960 0.003 0.000 0.252 95 G C 0.032 175.076 174.900 0.240 0.000 1.011 95 G CA 0.340 45.535 45.100 0.157 0.000 0.869 95 G HN 0.829 nan 8.290 nan 0.000 0.514 96 A N -0.248 122.699 122.820 0.213 0.000 2.564 96 A HA 0.826 5.148 4.320 0.003 0.000 0.291 96 A C -1.766 175.755 177.584 -0.104 0.000 1.102 96 A CA -0.759 51.308 52.037 0.049 0.000 0.660 96 A CB 0.949 19.671 19.000 -0.464 0.000 1.283 96 A HN 1.170 nan 8.150 nan 0.000 0.430 97 F N -1.818 117.836 119.950 -0.493 0.000 2.678 97 F HA 0.811 5.340 4.527 0.003 0.000 0.308 97 F C -1.968 173.564 175.800 -0.447 0.000 1.118 97 F CA -1.104 56.585 58.000 -0.519 0.000 0.959 97 F CB 0.715 39.372 39.000 -0.572 0.000 1.305 97 F HN 0.533 nan 8.300 nan 0.000 0.443 98 Y N 3.022 123.281 120.300 -0.068 0.000 2.376 98 Y HA 0.757 5.309 4.550 0.003 0.000 0.325 98 Y C -0.228 175.741 175.900 0.116 0.000 1.199 98 Y CA -1.428 56.599 58.100 -0.121 0.000 1.206 98 Y CB 1.808 40.209 38.460 -0.099 0.000 1.229 98 Y HN 0.824 nan 8.280 nan 0.000 0.480 99 I N 1.990 122.712 120.570 0.253 0.000 2.692 99 I HA 0.423 4.594 4.170 0.003 0.000 0.293 99 I C -1.732 174.451 176.117 0.110 0.000 1.200 99 I CA -0.716 60.736 61.300 0.253 0.000 1.036 99 I CB 1.648 39.893 38.000 0.409 0.000 1.258 99 I HN 0.552 nan 8.210 nan 0.000 0.421 100 K N 4.693 125.113 120.400 0.033 0.000 2.471 100 K HA 0.356 4.677 4.320 0.003 0.000 0.252 100 K C -1.201 175.299 176.600 -0.167 0.000 0.938 100 K CA -0.822 55.380 56.287 -0.142 0.000 0.796 100 K CB 1.726 34.019 32.500 -0.345 0.000 1.161 100 K HN 0.431 nan 8.250 nan 0.000 0.425 101 N N 2.463 121.111 118.700 -0.087 0.000 2.457 101 N HA 0.144 4.886 4.740 0.003 0.000 0.250 101 N C -0.596 174.873 175.510 -0.068 0.000 0.982 101 N CA -0.183 52.925 53.050 0.098 0.000 0.941 101 N CB 0.493 39.127 38.487 0.244 0.000 1.120 101 N HN 0.481 nan 8.380 nan 0.000 0.505 102 Y N 1.917 122.336 120.300 0.198 0.000 2.482 102 Y HA 0.290 4.841 4.550 0.003 0.000 0.270 102 Y C 0.837 176.791 175.900 0.091 0.000 1.152 102 Y CA 0.056 58.238 58.100 0.137 0.000 1.292 102 Y CB 0.003 38.556 38.460 0.156 0.000 1.070 102 Y HN 0.393 nan 8.280 nan 0.000 0.528 103 M N -0.047 119.675 119.600 0.203 0.000 2.202 103 M HA 0.041 4.523 4.480 0.003 0.000 0.316 103 M C 1.287 177.632 176.300 0.074 0.000 1.138 103 M CA -0.097 55.264 55.300 0.101 0.000 1.151 103 M CB 0.668 33.289 32.600 0.035 0.000 1.422 103 M HN 0.034 nan 8.290 nan 0.000 0.471 104 Q N 0.416 120.236 119.800 0.035 0.000 2.096 104 Q HA 0.089 4.431 4.340 0.003 0.000 0.197 104 Q C 0.217 176.222 176.000 0.007 0.000 0.964 104 Q CA 0.888 56.703 55.803 0.020 0.000 0.838 104 Q CB -0.200 28.545 28.738 0.010 0.000 0.906 104 Q HN 0.541 nan 8.270 nan 0.000 0.444 105 V N 3.688 123.608 119.914 0.011 0.000 2.607 105 V HA 0.045 4.166 4.120 0.003 0.000 0.289 105 V C 0.580 176.700 176.094 0.044 0.000 1.053 105 V CA -0.701 61.603 62.300 0.008 0.000 0.996 105 V CB 1.321 33.162 31.823 0.031 0.000 0.995 105 V HN 0.257 nan 8.190 nan 0.000 0.476 106 E N 4.561 124.707 120.200 -0.091 0.000 2.374 106 E HA 0.326 4.678 4.350 0.003 0.000 0.260 106 E C -0.938 175.844 176.600 0.304 0.000 1.101 106 E CA -0.243 56.077 56.400 -0.133 0.000 0.907 106 E CB 1.366 30.561 29.700 -0.842 0.000 1.014 106 E HN 0.505 nan 8.360 nan 0.000 0.427 107 F N -0.893 119.268 119.950 0.352 0.000 2.603 107 F HA 0.620 5.149 4.527 0.003 0.000 0.317 107 F C -1.327 174.536 175.800 0.106 0.000 1.066 107 F CA -1.955 56.252 58.000 0.345 0.000 0.941 107 F CB 0.995 40.210 39.000 0.358 0.000 1.291 107 F HN 0.278 nan 8.300 nan 0.000 0.472 108 F N 3.961 123.756 119.950 -0.258 0.000 2.350 108 F HA 0.526 5.054 4.527 0.003 0.000 0.365 108 F C -0.648 175.041 175.800 -0.185 0.000 1.122 108 F CA -1.269 56.294 58.000 -0.728 0.000 1.139 108 F CB 0.860 39.116 39.000 -1.240 0.000 1.220 108 F HN 0.594 nan 8.300 nan 0.000 0.499 109 L N 7.723 128.612 121.223 -0.556 0.000 2.361 109 L HA 0.251 4.593 4.340 0.003 0.000 0.278 109 L C 0.764 177.213 176.870 -0.701 0.000 1.113 109 L CA 0.318 54.926 54.840 -0.387 0.000 0.849 109 L CB 0.389 42.260 42.059 -0.313 0.000 1.155 109 L HN 0.558 nan 8.230 nan 0.000 0.452 110 K N 2.513 122.671 120.400 -0.404 0.000 2.063 110 K HA 0.260 4.581 4.320 0.003 0.000 0.204 110 K C 0.364 176.843 176.600 -0.202 0.000 1.039 110 K CA 1.054 57.162 56.287 -0.298 0.000 0.957 110 K CB -0.086 32.354 32.500 -0.100 0.000 0.764 110 K HN 0.799 nan 8.250 nan 0.000 0.447 111 S N -0.545 115.069 115.700 -0.144 0.000 2.611 111 S HA 0.553 5.025 4.470 0.003 0.000 0.268 111 S C -1.680 172.856 174.600 -0.107 0.000 1.156 111 S CA -1.105 57.048 58.200 -0.079 0.000 0.817 111 S CB 1.312 64.505 63.200 -0.011 0.000 1.122 111 S HN 0.038 nan 8.310 nan 0.000 0.466 112 L N 0.798 121.973 121.223 -0.081 0.000 2.410 112 L HA 0.841 5.183 4.340 0.003 0.000 0.270 112 L C -1.143 175.714 176.870 -0.022 0.000 0.983 112 L CA 0.204 54.906 54.840 -0.231 0.000 0.822 112 L CB 2.063 43.660 42.059 -0.769 0.000 1.285 112 L HN 0.945 nan 8.230 nan 0.000 0.409 113 T N 6.146 120.663 114.554 -0.061 0.000 2.840 113 T HA 0.576 4.928 4.350 0.003 0.000 0.287 113 T C -0.608 174.069 174.700 -0.039 0.000 0.991 113 T CA -0.305 61.783 62.100 -0.019 0.000 0.964 113 T CB 0.917 69.751 68.868 -0.057 0.000 0.954 113 T HN 0.452 nan 8.240 nan 0.000 0.438 114 L N 3.350 124.570 121.223 -0.005 0.000 2.296 114 L HA 0.508 4.849 4.340 0.003 0.000 0.286 114 L C 0.334 177.183 176.870 -0.036 0.000 1.023 114 L CA -0.760 54.059 54.840 -0.034 0.000 0.812 114 L CB 1.461 43.494 42.059 -0.044 0.000 1.223 114 L HN 0.560 nan 8.230 nan 0.000 0.421 115 E N 2.849 123.029 120.200 -0.033 0.000 2.175 115 E HA 0.757 5.109 4.350 0.003 0.000 0.278 115 E C -0.303 176.295 176.600 -0.003 0.000 0.969 115 E CA -0.310 56.077 56.400 -0.023 0.000 0.796 115 E CB 2.020 31.706 29.700 -0.024 0.000 1.104 115 E HN 0.742 nan 8.360 nan 0.000 0.395 123 I N 2.926 123.439 120.570 -0.095 0.000 2.378 123 I HA 0.537 4.708 4.170 0.003 0.000 0.291 123 I C 0.164 176.171 176.117 -0.184 0.000 0.992 123 I CA -0.775 60.426 61.300 -0.166 0.000 1.154 123 I CB 1.645 39.581 38.000 -0.107 0.000 1.315 123 I HN 0.310 nan 8.210 nan 0.000 0.448 124 R N 5.418 125.699 120.500 -0.365 0.000 2.664 124 R HA 0.688 5.030 4.340 0.003 0.000 0.286 124 R C -1.603 174.447 176.300 -0.415 0.000 0.967 124 R CA -0.690 55.252 56.100 -0.263 0.000 0.933 124 R CB 2.030 32.146 30.300 -0.306 0.000 1.146 124 R HN 0.325 nan 8.270 nan 0.000 0.468 125 F N 0.979 120.878 119.950 -0.086 0.000 2.539 125 F HA 0.304 4.833 4.527 0.003 0.000 0.328 125 F C -0.282 175.525 175.800 0.011 0.000 1.148 125 F CA -0.942 57.066 58.000 0.014 0.000 0.940 125 F CB 1.791 40.884 39.000 0.155 0.000 1.194 125 F HN 0.063 nan 8.300 nan 0.000 0.438 126 V N 3.276 123.293 119.914 0.172 0.000 2.364 126 V HA 0.156 4.278 4.120 0.003 0.000 0.272 126 V C 0.070 176.237 176.094 0.121 0.000 1.036 126 V CA -0.143 62.233 62.300 0.127 0.000 0.880 126 V CB 0.783 32.693 31.823 0.145 0.000 0.991 126 V HN 1.107 nan 8.190 nan 0.000 0.460 127 C N 2.301 121.589 119.300 -0.021 0.000 2.393 127 C HA 0.178 4.640 4.460 0.003 0.000 0.332 127 C C 1.196 176.103 174.990 -0.138 0.000 1.423 127 C CA -0.531 58.382 59.018 -0.175 0.000 2.097 127 C CB -0.573 26.723 27.740 -0.741 0.000 2.274 127 C HN 0.911 nan 8.230 nan 0.000 0.570 128 N N 1.842 120.354 118.700 -0.312 0.000 2.669 128 N HA -0.160 4.582 4.740 0.003 0.000 0.266 128 N C -0.453 174.853 175.510 -0.340 0.000 1.024 128 N CA 1.301 54.124 53.050 -0.379 0.000 0.766 128 N CB -0.737 37.819 38.487 0.116 0.000 0.898 128 N HN 0.665 nan 8.380 nan 0.000 0.548 129 S N -0.715 114.533 115.700 -0.753 0.000 2.536 129 S HA 0.538 5.010 4.470 0.003 0.000 0.271 129 S C -1.048 173.446 174.600 -0.177 0.000 1.134 129 S CA -0.816 57.315 58.200 -0.115 0.000 0.897 129 S CB 0.774 64.148 63.200 0.290 0.000 1.094 129 S HN 0.303 nan 8.310 nan 0.000 0.473 130 W N 2.876 124.377 121.300 0.335 0.000 2.266 130 W HA 0.487 5.149 4.660 0.003 0.000 0.317 130 W C -0.329 176.330 176.519 0.233 0.000 1.310 130 W CA -0.359 57.180 57.345 0.323 0.000 1.207 130 W CB 0.924 30.671 29.460 0.477 0.000 1.199 130 W HN 0.364 nan 8.180 nan 0.000 0.544 131 V N 5.874 125.869 119.914 0.134 0.000 2.326 131 V HA 0.203 4.325 4.120 0.003 0.000 0.281 131 V C -0.336 175.790 176.094 0.054 0.000 1.015 131 V CA -1.176 61.160 62.300 0.059 0.000 0.823 131 V CB -0.380 31.175 31.823 -0.447 0.000 1.009 131 V HN 0.333 nan 8.190 nan 0.000 0.436 132 Y N 2.061 122.473 120.300 0.188 0.000 2.289 132 Y HA 0.230 4.782 4.550 0.003 0.000 0.332 132 Y C 1.278 177.100 175.900 -0.130 0.000 1.324 132 Y CA -0.692 57.368 58.100 -0.066 0.000 1.478 132 Y CB 0.434 38.707 38.460 -0.313 0.000 1.378 132 Y HN 0.601 nan 8.280 nan 0.000 0.558 133 N N 0.425 119.102 118.700 -0.037 0.000 2.356 133 N HA -0.150 4.592 4.740 0.003 0.000 0.252 133 N C 1.155 176.594 175.510 -0.118 0.000 1.241 133 N CA 0.751 53.768 53.050 -0.055 0.000 0.861 133 N CB 0.996 39.451 38.487 -0.053 0.000 1.075 133 N HN 0.849 nan 8.380 nan 0.000 0.461 134 T N 3.365 117.885 114.554 -0.057 0.000 2.760 134 T HA -0.151 4.201 4.350 0.003 0.000 0.269 134 T C 1.454 176.135 174.700 -0.032 0.000 1.047 134 T CA 1.553 63.642 62.100 -0.019 0.000 1.139 134 T CB 0.012 68.780 68.868 -0.165 0.000 0.855 134 T HN 0.593 nan 8.240 nan 0.000 0.471 135 K N 0.168 120.528 120.400 -0.066 0.000 2.362 135 K HA 0.102 4.423 4.320 0.003 0.000 0.200 135 K C 1.909 178.413 176.600 -0.160 0.000 1.046 135 K CA 0.715 56.961 56.287 -0.069 0.000 0.952 135 K CB -0.096 32.379 32.500 -0.042 0.000 0.753 135 K HN 0.405 nan 8.250 nan 0.000 0.466 136 L N 0.059 121.075 121.223 -0.344 0.000 2.554 136 L HA 0.018 4.359 4.340 0.003 0.000 0.226 136 L C 0.020 176.608 176.870 -0.471 0.000 1.137 136 L CA 0.083 54.562 54.840 -0.602 0.000 0.863 136 L CB -0.013 41.351 42.059 -1.159 0.000 0.985 136 L HN 0.039 nan 8.230 nan 0.000 0.451 137 Y N -0.261 119.960 120.300 -0.132 0.000 2.342 137 Y HA 0.154 4.705 4.550 0.003 0.000 0.334 137 Y C 1.217 177.094 175.900 -0.038 0.000 1.067 137 Y CA -1.022 57.042 58.100 -0.060 0.000 1.128 137 Y CB 1.198 39.629 38.460 -0.048 0.000 1.200 137 Y HN -0.169 nan 8.280 nan 0.000 0.464 138 K N 1.282 121.781 120.400 0.166 0.000 2.097 138 K HA -0.037 4.284 4.320 0.003 0.000 0.205 138 K C 0.017 176.649 176.600 0.053 0.000 1.050 138 K CA 1.173 57.509 56.287 0.082 0.000 0.938 138 K CB 0.171 32.713 32.500 0.070 0.000 0.718 138 K HN 0.699 nan 8.250 nan 0.000 0.442 139 S N -0.796 114.931 115.700 0.045 0.000 2.595 139 S HA 0.406 4.878 4.470 0.003 0.000 0.281 139 S C -0.440 174.112 174.600 -0.080 0.000 1.117 139 S CA -1.196 56.992 58.200 -0.020 0.000 0.873 139 S CB 1.967 65.158 63.200 -0.014 0.000 1.108 139 S HN -0.102 nan 8.310 nan 0.000 0.477 140 V N 2.939 122.765 119.914 -0.147 0.000 2.655 140 V HA 0.262 4.383 4.120 0.003 0.000 0.300 140 V C 0.740 176.716 176.094 -0.196 0.000 1.044 140 V CA -0.476 61.707 62.300 -0.194 0.000 1.095 140 V CB -0.182 31.424 31.823 -0.361 0.000 0.952 140 V HN 0.769 nan 8.190 nan 0.000 0.485 141 R N 3.809 124.123 120.500 -0.310 0.000 2.484 141 R HA 0.317 4.659 4.340 0.003 0.000 0.293 141 R C -0.329 175.733 176.300 -0.397 0.000 1.023 141 R CA 0.149 55.980 56.100 -0.449 0.000 1.037 141 R CB -0.057 30.003 30.300 -0.401 0.000 0.951 141 R HN 0.754 nan 8.270 nan 0.000 0.418 142 I N 3.046 123.201 120.570 -0.691 0.000 2.569 142 I HA 0.481 4.653 4.170 0.003 0.000 0.296 142 I C -1.285 174.041 176.117 -1.318 0.000 1.028 142 I CA -0.916 59.867 61.300 -0.861 0.000 1.082 142 I CB 1.123 38.675 38.000 -0.747 0.000 1.264 142 I HN 0.306 nan 8.210 nan 0.000 0.429 143 F N 5.998 125.318 119.950 -1.050 0.000 2.565 143 F HA 0.531 5.060 4.527 0.003 0.000 0.313 143 F C -0.742 174.676 175.800 -0.636 0.000 1.091 143 F CA -0.442 57.085 58.000 -0.788 0.000 0.915 143 F CB 1.790 40.224 39.000 -0.943 0.000 1.208 143 F HN 0.177 nan 8.300 nan 0.000 0.453 144 F N 1.304 121.316 119.950 0.103 0.000 2.432 144 F HA 0.727 5.255 4.527 0.003 0.000 0.329 144 F C 0.596 176.458 175.800 0.104 0.000 1.076 144 F CA -1.070 57.006 58.000 0.126 0.000 1.018 144 F CB 0.994 40.003 39.000 0.015 0.000 1.201 144 F HN 0.563 nan 8.300 nan 0.000 0.489 145 A N 1.336 124.125 122.820 -0.051 0.000 2.406 145 A HA 0.129 4.450 4.320 0.003 0.000 0.243 145 A C 0.960 178.289 177.584 -0.424 0.000 1.082 145 A CA -0.387 51.160 52.037 -0.817 0.000 0.786 145 A CB -0.064 18.378 19.000 -0.930 0.000 1.029 145 A HN 0.848 nan 8.150 nan 0.000 0.495 146 N N 0.976 119.361 118.700 -0.525 0.000 2.617 146 N HA -0.083 4.659 4.740 0.003 0.000 0.198 146 N C 0.066 175.354 175.510 -0.370 0.000 1.317 146 N CA 0.406 53.256 53.050 -0.333 0.000 0.892 146 N CB -0.616 37.718 38.487 -0.255 0.000 1.041 146 N HN 0.616 nan 8.380 nan 0.000 0.450 147 H N -0.045 118.869 119.070 -0.260 0.000 2.671 147 H HA 0.277 4.835 4.556 0.003 0.000 0.372 147 H C 0.008 174.985 175.328 -0.586 0.000 1.227 147 H CA 0.161 55.952 56.048 -0.429 0.000 1.426 147 H CB 0.728 30.199 29.762 -0.485 0.000 1.480 147 H HN 0.014 nan 8.280 nan 0.000 0.611 148 T N 2.557 116.757 114.554 -0.589 0.000 2.824 148 T HA 0.480 4.831 4.350 0.003 0.000 0.282 148 T C -1.034 173.259 174.700 -0.678 0.000 0.993 148 T CA -0.588 61.209 62.100 -0.506 0.000 0.967 148 T CB 0.423 69.142 68.868 -0.249 0.000 0.960 148 T HN 0.336 nan 8.240 nan 0.000 0.441 149 Y N 0.948 121.159 120.300 -0.149 0.000 2.401 149 Y HA 0.465 5.017 4.550 0.003 0.000 0.330 149 Y C 0.189 175.908 175.900 -0.302 0.000 1.071 149 Y CA -1.560 56.437 58.100 -0.172 0.000 1.049 149 Y CB 0.829 39.209 38.460 -0.134 0.000 1.239 149 Y HN 0.576 nan 8.280 nan 0.000 0.437 150 V N 0.821 120.618 119.914 -0.196 0.000 3.237 150 V HA 0.229 4.351 4.120 0.003 0.000 0.305 150 V C -2.083 173.939 176.094 -0.121 0.000 1.096 150 V CA -1.329 60.769 62.300 -0.335 0.000 1.130 150 V CB 0.901 32.512 31.823 -0.353 0.000 1.048 150 V HN 0.591 nan 8.190 nan 0.000 0.484 151 P HA -0.164 nan 4.420 nan 0.000 0.217 151 P C 1.893 179.168 177.300 -0.043 0.000 1.151 151 P CA 2.332 65.423 63.100 -0.016 0.000 0.849 151 P CB -0.079 31.643 31.700 0.037 0.000 0.787 152 S N -1.691 113.983 115.700 -0.042 0.000 2.515 152 S HA -0.045 4.427 4.470 0.003 0.000 0.231 152 S C 1.498 176.053 174.600 -0.074 0.000 0.987 152 S CA 0.761 58.932 58.200 -0.049 0.000 0.936 152 S CB -0.671 62.508 63.200 -0.034 0.000 0.766 152 S HN 0.089 nan 8.310 nan 0.000 0.528 153 E N 1.412 121.563 120.200 -0.081 0.000 2.481 153 E HA 0.151 4.503 4.350 0.003 0.000 0.198 153 E C -0.179 176.249 176.600 -0.287 0.000 1.027 153 E CA 0.107 56.449 56.400 -0.096 0.000 0.900 153 E CB 0.190 29.905 29.700 0.025 0.000 0.993 153 E HN 0.436 nan 8.360 nan 0.000 0.482 154 T N 3.949 118.334 114.554 -0.282 0.000 2.867 154 T HA 0.110 4.462 4.350 0.003 0.000 0.297 154 T C -2.372 172.076 174.700 -0.419 0.000 0.989 154 T CA -0.841 60.984 62.100 -0.458 0.000 1.159 154 T CB 0.566 69.306 68.868 -0.214 0.000 0.928 154 T HN -0.095 nan 8.240 nan 0.000 0.538 155 P HA 0.123 nan 4.420 nan 0.000 0.264 155 P C 0.593 177.804 177.300 -0.147 0.000 1.193 155 P CA -0.118 62.810 63.100 -0.286 0.000 0.763 155 P CB 0.391 31.949 31.700 -0.238 0.000 0.810 156 A N 6.489 129.248 122.820 -0.101 0.000 1.958 156 A HA -0.160 4.162 4.320 0.003 0.000 0.221 156 A C -0.500 177.062 177.584 -0.036 0.000 1.178 156 A CA 1.899 53.898 52.037 -0.063 0.000 0.642 156 A CB -2.251 16.720 19.000 -0.048 0.000 0.816 156 A HN 0.507 nan 8.150 nan 0.000 0.453 157 P HA 0.051 nan 4.420 nan 0.000 0.237 157 P C 0.792 178.145 177.300 0.088 0.000 1.178 157 P CA 0.618 63.740 63.100 0.037 0.000 0.766 157 P CB 0.105 31.859 31.700 0.091 0.000 0.876 158 L N -2.704 118.579 121.223 0.101 0.000 2.701 158 L HA 0.085 4.426 4.340 0.003 0.000 0.238 158 L C 1.932 178.879 176.870 0.129 0.000 1.106 158 L CA 0.047 55.038 54.840 0.251 0.000 0.898 158 L CB -0.291 41.922 42.059 0.256 0.000 1.188 158 L HN -0.223 nan 8.230 nan 0.000 0.508 159 V N -0.198 119.716 119.914 0.000 0.000 2.282 159 V HA -0.353 3.768 4.120 0.003 0.000 0.249 159 V C 2.668 178.750 176.094 -0.019 0.000 1.057 159 V CA 2.449 64.732 62.300 -0.028 0.000 1.032 159 V CB -0.369 31.423 31.823 -0.052 0.000 0.645 159 V HN 0.453 nan 8.190 nan 0.000 0.447 160 S N -1.649 114.002 115.700 -0.081 0.000 2.368 160 S HA -0.165 4.306 4.470 0.003 0.000 0.224 160 S C 1.934 176.534 174.600 0.001 0.000 1.029 160 S CA 1.381 59.523 58.200 -0.096 0.000 0.988 160 S CB -0.347 62.728 63.200 -0.209 0.000 0.838 160 S HN 0.621 nan 8.310 nan 0.000 0.462 161 Y N 1.755 122.110 120.300 0.091 0.000 2.274 161 Y HA 0.030 4.582 4.550 0.003 0.000 0.290 161 Y C 2.520 178.547 175.900 0.212 0.000 1.145 161 Y CA 1.138 59.322 58.100 0.140 0.000 1.203 161 Y CB -0.602 37.947 38.460 0.148 0.000 0.984 161 Y HN 0.240 nan 8.280 nan 0.000 0.533 162 R N 0.423 121.099 120.500 0.292 0.000 2.062 162 R HA -0.193 4.148 4.340 0.003 0.000 0.231 162 R C 2.143 178.475 176.300 0.054 0.000 1.136 162 R CA 1.784 57.934 56.100 0.083 0.000 0.948 162 R CB -0.158 30.101 30.300 -0.068 0.000 0.845 162 R HN 0.188 nan 8.270 nan 0.000 0.430 163 E N 0.561 120.789 120.200 0.047 0.000 2.150 163 E HA -0.156 4.196 4.350 0.003 0.000 0.193 163 E C 1.641 178.270 176.600 0.048 0.000 0.985 163 E CA 1.320 57.737 56.400 0.030 0.000 0.814 163 E CB 0.043 29.751 29.700 0.012 0.000 0.752 163 E HN 0.294 nan 8.360 nan 0.000 0.466 164 E N 0.362 120.611 120.200 0.082 0.000 2.072 164 E HA -0.192 4.160 4.350 0.003 0.000 0.191 164 E C 1.958 178.606 176.600 0.080 0.000 0.985 164 E CA 1.320 57.770 56.400 0.085 0.000 0.801 164 E CB -0.282 29.491 29.700 0.122 0.000 0.750 164 E HN 0.352 nan 8.360 nan 0.000 0.452 165 E N 1.053 121.316 120.200 0.106 0.000 2.077 165 E HA -0.111 4.241 4.350 0.003 0.000 0.193 165 E C 2.171 178.796 176.600 0.041 0.000 0.989 165 E CA 0.773 57.218 56.400 0.075 0.000 0.800 165 E CB -0.321 29.459 29.700 0.133 0.000 0.746 165 E HN 0.181 nan 8.360 nan 0.000 0.452 166 L N 0.374 121.613 121.223 0.026 0.000 2.046 166 L HA -0.165 4.177 4.340 0.003 0.000 0.208 166 L C 2.725 179.591 176.870 -0.006 0.000 1.077 166 L CA 1.686 56.522 54.840 -0.007 0.000 0.747 166 L CB -0.484 41.561 42.059 -0.023 0.000 0.896 166 L HN 0.169 nan 8.230 nan 0.000 0.432 167 K N -0.372 120.035 120.400 0.013 0.000 2.063 167 K HA -0.225 4.097 4.320 0.003 0.000 0.208 167 K C 2.386 179.002 176.600 0.027 0.000 1.048 167 K CA 1.707 58.004 56.287 0.018 0.000 0.928 167 K CB -0.086 32.432 32.500 0.029 0.000 0.713 167 K HN 0.126 nan 8.250 nan 0.000 0.442 168 S N 0.625 116.346 115.700 0.035 0.000 2.368 168 S HA -0.093 4.378 4.470 0.003 0.000 0.225 168 S C 1.899 176.536 174.600 0.062 0.000 1.030 168 S CA 1.035 59.260 58.200 0.042 0.000 0.999 168 S CB -0.198 63.022 63.200 0.032 0.000 0.844 168 S HN 0.363 nan 8.310 nan 0.000 0.459 169 L N 0.590 121.856 121.223 0.071 0.000 2.201 169 L HA 0.045 4.387 4.340 0.003 0.000 0.212 169 L C 2.797 179.749 176.870 0.135 0.000 1.105 169 L CA 0.970 55.892 54.840 0.137 0.000 0.775 169 L CB -0.301 41.824 42.059 0.111 0.000 0.913 169 L HN 0.250 nan 8.230 nan 0.000 0.440 170 R N -0.175 120.358 120.500 0.055 0.000 2.193 170 R HA 0.111 4.453 4.340 0.003 0.000 0.213 170 R C 1.173 177.497 176.300 0.041 0.000 1.055 170 R CA 0.487 56.609 56.100 0.036 0.000 0.995 170 R CB -0.146 30.147 30.300 -0.011 0.000 0.893 170 R HN 0.413 nan 8.270 nan 0.000 0.459 171 G N 1.651 110.473 108.800 0.038 0.000 2.697 171 G HA2 -0.355 3.607 3.960 0.003 0.000 0.240 171 G HA3 -0.355 3.607 3.960 0.003 0.000 0.240 171 G C -0.129 174.781 174.900 0.017 0.000 1.346 171 G CA 0.234 45.346 45.100 0.020 0.000 0.887 171 G HN 0.538 nan 8.290 nan 0.000 0.569 172 N N -0.399 118.303 118.700 0.004 0.000 2.197 172 N HA 0.480 5.221 4.740 0.003 0.000 0.228 172 N C 1.520 177.032 175.510 0.003 0.000 1.212 172 N CA 1.143 54.198 53.050 0.008 0.000 0.883 172 N CB 0.839 39.328 38.487 0.003 0.000 1.107 172 N HN 2.362 nan 8.380 nan 0.000 0.519 173 G N -0.543 108.255 108.800 -0.004 0.000 2.179 173 G HA2 -0.293 3.669 3.960 0.003 0.000 0.260 173 G HA3 -0.293 3.669 3.960 0.003 0.000 0.260 173 G C 0.161 175.043 174.900 -0.030 0.000 0.977 173 G CA 0.798 45.894 45.100 -0.007 0.000 0.641 173 G HN 0.921 nan 8.290 nan 0.000 0.533 174 T N -2.712 111.816 114.554 -0.043 0.000 2.864 174 T HA 0.922 5.273 4.350 0.003 0.000 0.289 174 T C 0.509 175.158 174.700 -0.085 0.000 1.082 174 T CA 0.321 62.387 62.100 -0.058 0.000 1.009 174 T CB 2.241 71.083 68.868 -0.043 0.000 1.234 174 T HN 2.338 nan 8.240 nan 0.000 0.526 175 G N 0.326 109.069 108.800 -0.096 0.000 2.692 175 G HA2 0.026 3.987 3.960 0.003 0.000 0.686 175 G HA3 0.026 3.987 3.960 0.003 0.000 0.686 175 G C -0.663 174.132 174.900 -0.176 0.000 1.243 175 G CA -0.374 44.653 45.100 -0.122 0.000 0.782 175 G HN 1.102 nan 8.290 nan 0.000 0.625 176 E N 1.289 121.379 120.200 -0.184 0.000 2.223 176 E HA 0.337 4.689 4.350 0.003 0.000 0.282 176 E C 0.680 177.076 176.600 -0.340 0.000 1.046 176 E CA -0.794 55.465 56.400 -0.236 0.000 0.857 176 E CB 0.395 29.983 29.700 -0.186 0.000 1.055 176 E HN 0.424 nan 8.360 nan 0.000 0.409 177 R N 3.776 123.968 120.500 -0.515 0.000 2.491 177 R HA 0.183 4.525 4.340 0.003 0.000 0.283 177 R C -0.064 175.808 176.300 -0.713 0.000 1.072 177 R CA -0.139 55.440 56.100 -0.868 0.000 1.048 177 R CB 0.540 29.750 30.300 -1.817 0.000 0.983 177 R HN 0.446 nan 8.270 nan 0.000 0.450 178 K N 1.848 121.851 120.400 -0.661 0.000 2.185 178 K HA 0.110 4.432 4.320 0.003 0.000 0.240 178 K C 1.035 177.337 176.600 -0.496 0.000 0.983 178 K CA -0.671 55.264 56.287 -0.587 0.000 0.873 178 K CB 1.315 33.298 32.500 -0.861 0.000 1.118 178 K HN 0.557 nan 8.250 nan 0.000 0.441 179 E N 0.948 120.907 120.200 -0.401 0.000 2.086 179 E HA -0.267 4.085 4.350 0.003 0.000 0.200 179 E C 1.196 177.574 176.600 -0.371 0.000 1.012 179 E CA 2.095 58.350 56.400 -0.241 0.000 0.812 179 E CB -0.085 29.535 29.700 -0.133 0.000 0.743 179 E HN 0.597 nan 8.360 nan 0.000 0.453 180 Y N 0.186 120.224 120.300 -0.437 0.000 2.544 180 Y HA 0.227 4.779 4.550 0.003 0.000 0.286 180 Y C 0.335 176.109 175.900 -0.211 0.000 1.141 180 Y CA -0.300 57.371 58.100 -0.715 0.000 1.299 180 Y CB -0.418 37.276 38.460 -1.276 0.000 1.030 180 Y HN -0.231 nan 8.280 nan 0.000 0.543 181 D N 2.063 122.305 120.400 -0.264 0.000 2.419 181 D HA 0.058 4.700 4.640 0.003 0.000 0.236 181 D C 0.117 176.496 176.300 0.132 0.000 1.165 181 D CA 0.348 54.348 54.000 0.001 0.000 0.882 181 D CB 0.575 41.284 40.800 -0.151 0.000 1.201 181 D HN 0.370 nan 8.370 nan 0.000 0.443 182 R N 1.268 121.850 120.500 0.138 0.000 2.834 182 R HA 0.342 4.683 4.340 0.003 0.000 0.362 182 R C -0.475 175.902 176.300 0.128 0.000 1.147 182 R CA -0.292 55.879 56.100 0.117 0.000 1.125 182 R CB 0.312 30.722 30.300 0.183 0.000 1.361 182 R HN 0.304 nan 8.270 nan 0.000 0.598 183 I N 1.416 122.031 120.570 0.075 0.000 2.312 183 I HA 0.245 4.416 4.170 0.003 0.000 0.290 183 I C -0.616 175.491 176.117 -0.017 0.000 1.008 183 I CA -0.786 60.559 61.300 0.075 0.000 1.226 183 I CB 0.764 38.767 38.000 0.006 0.000 1.371 183 I HN 0.067 nan 8.210 nan 0.000 0.468 184 Y N 4.877 125.175 120.300 -0.003 0.000 2.335 184 Y HA 0.472 5.024 4.550 0.003 0.000 0.339 184 Y C 0.099 175.904 175.900 -0.159 0.000 0.987 184 Y CA -0.341 57.715 58.100 -0.074 0.000 1.140 184 Y CB 0.811 39.234 38.460 -0.062 0.000 1.173 184 Y HN 0.474 nan 8.280 nan 0.000 0.486 185 D N 0.907 121.230 120.400 -0.127 0.000 2.643 185 D HA 0.320 4.962 4.640 0.003 0.000 0.283 185 D C -1.541 174.542 176.300 -0.362 0.000 1.242 185 D CA -0.741 53.115 54.000 -0.240 0.000 0.863 185 D CB 1.551 42.311 40.800 -0.066 0.000 1.382 185 D HN 0.276 nan 8.370 nan 0.000 0.444 186 Y N 0.232 120.526 120.300 -0.010 0.000 2.496 186 Y HA 0.590 5.142 4.550 0.003 0.000 0.331 186 Y C 0.407 176.271 175.900 -0.060 0.000 1.140 186 Y CA -0.488 57.584 58.100 -0.047 0.000 1.166 186 Y CB 1.408 39.831 38.460 -0.062 0.000 1.249 186 Y HN 0.106 nan 8.280 nan 0.000 0.479 187 D N -0.587 119.866 120.400 0.089 0.000 2.653 187 D HA 0.367 5.009 4.640 0.003 0.000 0.258 187 D C -1.288 175.010 176.300 -0.003 0.000 1.252 187 D CA -0.446 53.562 54.000 0.013 0.000 0.777 187 D CB 2.174 42.944 40.800 -0.051 0.000 1.339 187 D HN 0.383 nan 8.370 nan 0.000 0.422 188 V N -0.165 119.757 119.914 0.013 0.000 3.295 188 V HA 0.459 4.581 4.120 0.003 0.000 0.308 188 V C 0.027 176.142 176.094 0.035 0.000 1.068 188 V CA -0.229 62.120 62.300 0.081 0.000 1.062 188 V CB 0.458 32.339 31.823 0.096 0.000 1.162 188 V HN 0.488 nan 8.190 nan 0.000 0.456 189 Y N 2.902 123.220 120.300 0.030 0.000 2.636 189 Y HA 0.298 4.850 4.550 0.003 0.000 0.334 189 Y C 1.147 177.008 175.900 -0.065 0.000 1.286 189 Y CA -0.441 57.656 58.100 -0.004 0.000 1.688 189 Y CB -0.534 37.910 38.460 -0.028 0.000 1.662 189 Y HN 0.850 nan 8.280 nan 0.000 0.465 190 N N -0.288 118.423 118.700 0.019 0.000 2.235 190 N HA -0.013 4.729 4.740 0.003 0.000 0.231 190 N C -0.114 175.375 175.510 -0.036 0.000 1.177 190 N CA 0.005 53.046 53.050 -0.016 0.000 0.874 190 N CB 0.061 38.534 38.487 -0.024 0.000 1.097 190 N HN 0.458 nan 8.380 nan 0.000 0.518 191 D N -0.139 120.245 120.400 -0.027 0.000 2.440 191 D HA 0.110 4.752 4.640 0.003 0.000 0.216 191 D C 1.049 177.386 176.300 0.062 0.000 1.150 191 D CA -0.307 53.676 54.000 -0.027 0.000 0.832 191 D CB -0.158 40.572 40.800 -0.116 0.000 0.992 191 D HN 0.198 nan 8.370 nan 0.000 0.502 192 L N -0.031 121.214 121.223 0.036 0.000 2.298 192 L HA 0.288 4.629 4.340 0.003 0.000 0.209 192 L C 1.606 178.463 176.870 -0.022 0.000 1.084 192 L CA 0.405 55.255 54.840 0.016 0.000 0.816 192 L CB -0.288 41.754 42.059 -0.029 0.000 0.967 192 L HN 0.046 nan 8.230 nan 0.000 0.460 193 G N -0.209 108.568 108.800 -0.038 0.000 2.572 193 G HA2 0.075 4.037 3.960 0.003 0.000 0.261 193 G HA3 0.075 4.037 3.960 0.003 0.000 0.261 193 G C -0.302 174.582 174.900 -0.027 0.000 1.197 193 G CA -0.119 44.952 45.100 -0.048 0.000 0.870 193 G HN 0.121 nan 8.290 nan 0.000 0.548 194 N N 0.566 119.247 118.700 -0.031 0.000 2.672 194 N HA 0.253 4.994 4.740 0.003 0.000 0.295 194 N C -1.390 174.105 175.510 -0.025 0.000 1.924 194 N CA -1.667 51.371 53.050 -0.020 0.000 0.851 194 N CB 1.478 39.955 38.487 -0.017 0.000 1.281 194 N HN 0.156 nan 8.380 nan 0.000 0.494 195 P HA -0.088 nan 4.420 nan 0.000 0.218 195 P C 0.369 177.656 177.300 -0.021 0.000 1.148 195 P CA 1.067 64.152 63.100 -0.026 0.000 0.822 195 P CB 0.579 32.264 31.700 -0.025 0.000 0.784 196 D N -0.157 120.231 120.400 -0.020 0.000 2.219 196 D HA -0.115 4.526 4.640 0.003 0.000 0.205 196 D C 2.036 178.326 176.300 -0.016 0.000 0.970 196 D CA 1.032 55.022 54.000 -0.017 0.000 0.851 196 D CB -0.319 40.470 40.800 -0.017 0.000 0.943 196 D HN 0.306 nan 8.370 nan 0.000 0.488 197 K N -0.626 119.764 120.400 -0.016 0.000 2.137 197 K HA 0.023 4.345 4.320 0.003 0.000 0.202 197 K C 0.121 176.710 176.600 -0.018 0.000 1.052 197 K CA 0.440 56.717 56.287 -0.016 0.000 0.961 197 K CB 0.428 32.918 32.500 -0.016 0.000 0.741 197 K HN -0.005 nan 8.250 nan 0.000 0.452 198 S N -0.920 114.768 115.700 -0.021 0.000 2.556 198 S HA 0.118 4.590 4.470 0.003 0.000 0.280 198 S C -0.431 174.155 174.600 -0.024 0.000 1.141 198 S CA -0.727 57.461 58.200 -0.021 0.000 0.883 198 S CB 1.495 64.681 63.200 -0.024 0.000 1.103 198 S HN 0.291 nan 8.310 nan 0.000 0.453 199 E N 1.950 122.137 120.200 -0.021 0.000 2.204 199 E HA -0.100 4.251 4.350 0.003 0.000 0.195 199 E C 1.264 177.847 176.600 -0.029 0.000 0.990 199 E CA 0.970 57.358 56.400 -0.021 0.000 0.821 199 E CB 0.016 29.708 29.700 -0.014 0.000 0.750 199 E HN 0.524 nan 8.360 nan 0.000 0.477 200 K N 0.228 120.608 120.400 -0.032 0.000 2.283 200 K HA -0.059 4.263 4.320 0.003 0.000 0.202 200 K C 1.561 178.126 176.600 -0.060 0.000 1.048 200 K CA 0.634 56.895 56.287 -0.044 0.000 0.948 200 K CB 0.109 32.584 32.500 -0.041 0.000 0.742 200 K HN 0.178 nan 8.250 nan 0.000 0.458 201 L N 0.703 121.895 121.223 -0.053 0.000 2.592 201 L HA 0.159 4.501 4.340 0.003 0.000 0.227 201 L C 0.649 177.482 176.870 -0.062 0.000 1.127 201 L CA -0.612 54.191 54.840 -0.061 0.000 0.884 201 L CB 0.040 42.070 42.059 -0.048 0.000 1.065 201 L HN -0.014 nan 8.230 nan 0.000 0.457 202 A N 1.078 123.865 122.820 -0.055 0.000 2.440 202 A HA 0.527 4.848 4.320 0.003 0.000 0.251 202 A C 0.078 177.618 177.584 -0.074 0.000 1.089 202 A CA 0.015 52.020 52.037 -0.053 0.000 0.779 202 A CB 0.249 19.227 19.000 -0.036 0.000 1.022 202 A HN 0.190 nan 8.150 nan 0.000 0.492 203 R N 1.875 122.324 120.500 -0.085 0.000 2.725 203 R HA 0.518 4.860 4.340 0.003 0.000 0.277 203 R C -2.876 173.338 176.300 -0.144 0.000 0.987 203 R CA -1.777 54.248 56.100 -0.125 0.000 0.901 203 R CB 1.298 31.510 30.300 -0.146 0.000 1.207 203 R HN 0.695 nan 8.270 nan 0.000 0.463 204 P HA 0.107 nan 4.420 nan 0.000 0.271 204 P C -0.147 176.972 177.300 -0.302 0.000 1.218 204 P CA -0.353 62.577 63.100 -0.284 0.000 0.780 204 P CB 0.694 32.019 31.700 -0.625 0.000 0.901 205 V N 3.713 123.528 119.914 -0.164 0.000 2.572 205 V HA 0.034 4.156 4.120 0.003 0.000 0.291 205 V C 0.776 176.789 176.094 -0.135 0.000 1.039 205 V CA -0.000 62.243 62.300 -0.095 0.000 1.055 205 V CB 0.121 31.944 31.823 -0.000 0.000 0.969 205 V HN 0.337 nan 8.190 nan 0.000 0.482 206 L N 5.357 126.495 121.223 -0.142 0.000 2.272 206 L HA 0.827 5.169 4.340 0.003 0.000 0.289 206 L C 0.542 177.465 176.870 0.088 0.000 1.032 206 L CA -0.101 54.630 54.840 -0.182 0.000 0.810 206 L CB 1.145 42.796 42.059 -0.680 0.000 1.205 206 L HN 0.924 nan 8.230 nan 0.000 0.422 207 G N 1.269 110.195 108.800 0.209 0.000 2.640 207 G HA2 0.321 4.282 3.960 0.003 0.000 0.686 207 G HA3 0.321 4.282 3.960 0.003 0.000 0.686 207 G C 0.260 175.267 174.900 0.179 0.000 1.229 207 G CA -0.308 44.938 45.100 0.244 0.000 0.796 207 G HN 1.081 nan 8.290 nan 0.000 0.654 208 G N -1.195 107.698 108.800 0.155 0.000 2.143 208 G HA2 0.271 4.233 3.960 0.003 0.000 0.249 208 G HA3 0.271 4.233 3.960 0.003 0.000 0.249 208 G C 0.757 175.724 174.900 0.111 0.000 0.981 208 G CA 1.524 46.690 45.100 0.109 0.000 0.665 208 G HN 2.828 nan 8.290 nan 0.000 0.528 209 S N -1.616 114.172 115.700 0.146 0.000 2.579 209 S HA 0.760 5.232 4.470 0.003 0.000 0.272 209 S C 1.124 175.790 174.600 0.109 0.000 1.141 209 S CA 0.697 58.968 58.200 0.119 0.000 0.843 209 S CB 1.502 64.786 63.200 0.141 0.000 1.122 209 S HN 1.377 nan 8.310 nan 0.000 0.468 210 S N 0.802 116.536 115.700 0.057 0.000 2.428 210 S HA -0.054 4.418 4.470 0.003 0.000 0.230 210 S C 1.503 176.094 174.600 -0.015 0.000 1.014 210 S CA 1.364 59.587 58.200 0.038 0.000 0.957 210 S CB -1.164 62.046 63.200 0.017 0.000 0.784 210 S HN 0.773 nan 8.310 nan 0.000 0.499 211 T N 1.227 115.722 114.554 -0.099 0.000 2.777 211 T HA 0.144 4.496 4.350 0.003 0.000 0.266 211 T C -0.133 174.253 174.700 -0.523 0.000 1.040 211 T CA 0.924 62.806 62.100 -0.364 0.000 1.141 211 T CB -0.328 68.236 68.868 -0.508 0.000 0.868 211 T HN 0.470 nan 8.240 nan 0.000 0.444 212 F N 2.481 122.495 119.950 0.106 0.000 2.531 212 F HA 0.358 4.887 4.527 0.003 0.000 0.333 212 F C -2.440 173.470 175.800 0.183 0.000 1.292 212 F CA -3.371 54.703 58.000 0.123 0.000 1.184 212 F CB 0.867 39.902 39.000 0.058 0.000 1.426 212 F HN -0.075 nan 8.300 nan 0.000 0.559 213 P HA 0.160 nan 4.420 nan 0.000 0.272 213 P C -1.141 176.525 177.300 0.610 0.000 1.223 213 P CA 0.052 63.430 63.100 0.464 0.000 0.784 213 P CB 1.787 33.754 31.700 0.444 0.000 0.923 214 Y N 0.402 120.814 120.300 0.187 0.000 2.583 214 Y HA 0.283 4.835 4.550 0.003 0.000 0.330 214 Y C -2.658 172.965 175.900 -0.462 0.000 1.185 214 Y CA -1.924 55.947 58.100 -0.381 0.000 1.107 214 Y CB 1.425 39.769 38.460 -0.195 0.000 1.344 214 Y HN 0.269 nan 8.280 nan 0.000 0.463 215 P HA 0.220 nan 4.420 nan 0.000 0.269 215 P C -0.619 176.537 177.300 -0.241 0.000 1.215 215 P CA -0.160 62.474 63.100 -0.776 0.000 0.780 215 P CB 0.572 31.681 31.700 -0.984 0.000 0.898 216 R N 2.112 122.494 120.500 -0.197 0.000 2.583 216 R HA 0.459 4.801 4.340 0.003 0.000 0.268 216 R C 0.740 177.070 176.300 0.050 0.000 1.101 216 R CA -0.291 55.823 56.100 0.022 0.000 1.180 216 R CB 0.381 30.698 30.300 0.028 0.000 1.128 216 R HN 0.622 nan 8.270 nan 0.000 0.568 217 R N -1.517 118.970 120.500 -0.022 0.000 2.930 217 R HA 0.574 4.916 4.340 0.003 0.000 0.257 217 R C -0.143 176.095 176.300 -0.104 0.000 1.107 217 R CA -0.795 55.229 56.100 -0.127 0.000 0.999 217 R CB -0.196 29.809 30.300 -0.492 0.000 1.209 217 R HN 0.592 nan 8.270 nan 0.000 0.486 218 G N 0.663 109.396 108.800 -0.111 0.000 2.343 218 G HA2 0.187 4.149 3.960 0.003 0.000 0.254 218 G HA3 0.187 4.149 3.960 0.003 0.000 0.254 218 G C -0.614 174.232 174.900 -0.089 0.000 1.277 218 G CA -0.534 44.501 45.100 -0.109 0.000 0.909 218 G HN 0.570 nan 8.290 nan 0.000 0.502 219 R N 1.130 121.582 120.500 -0.079 0.000 2.489 219 R HA 0.182 4.524 4.340 0.003 0.000 0.287 219 R C 1.358 177.624 176.300 -0.057 0.000 1.053 219 R CA 0.760 56.815 56.100 -0.076 0.000 1.036 219 R CB 0.450 30.706 30.300 -0.074 0.000 0.966 219 R HN 0.618 nan 8.270 nan 0.000 0.432 220 T N 0.199 114.681 114.554 -0.120 0.000 2.987 220 T HA 0.180 4.532 4.350 0.003 0.000 0.248 220 T C 1.246 175.792 174.700 -0.258 0.000 0.997 220 T CA 0.325 62.326 62.100 -0.165 0.000 1.013 220 T CB 0.333 69.087 68.868 -0.191 0.000 1.077 220 T HN 0.746 nan 8.240 nan 0.000 0.483 221 G N 2.491 111.166 108.800 -0.208 0.000 2.249 221 G HA2 -0.325 3.637 3.960 0.003 0.000 0.273 221 G HA3 -0.325 3.637 3.960 0.003 0.000 0.273 221 G C 0.819 175.607 174.900 -0.187 0.000 1.036 221 G CA 0.477 45.464 45.100 -0.188 0.000 0.824 221 G HN 0.564 nan 8.290 nan 0.000 0.504 222 R N 0.025 120.406 120.500 -0.199 0.000 2.237 222 R HA 0.312 4.654 4.340 0.003 0.000 0.219 222 R C 1.693 177.912 176.300 -0.134 0.000 1.080 222 R CA 0.911 56.905 56.100 -0.177 0.000 0.995 222 R CB -0.068 30.110 30.300 -0.203 0.000 0.875 222 R HN 1.633 nan 8.270 nan 0.000 0.462 223 G N 0.677 109.403 108.800 -0.123 0.000 2.603 223 G HA2 -0.155 3.807 3.960 0.003 0.000 0.686 223 G HA3 -0.155 3.807 3.960 0.003 0.000 0.686 223 G C -2.955 171.895 174.900 -0.083 0.000 1.286 223 G CA -1.241 43.803 45.100 -0.093 0.000 0.871 223 G HN -0.074 nan 8.290 nan 0.000 0.568 224 P HA 0.408 nan 4.420 nan 0.000 0.274 224 P C 0.834 178.105 177.300 -0.049 0.000 1.237 224 P CA 0.287 63.354 63.100 -0.053 0.000 0.793 224 P CB 0.599 32.274 31.700 -0.041 0.000 0.977 225 T N -2.084 112.444 114.554 -0.043 0.000 2.788 225 T HA 0.135 4.487 4.350 0.003 0.000 0.287 225 T C 1.291 175.973 174.700 -0.030 0.000 1.007 225 T CA -0.522 61.556 62.100 -0.037 0.000 1.005 225 T CB -0.070 68.778 68.868 -0.032 0.000 1.012 225 T HN 0.044 nan 8.240 nan 0.000 0.530 226 V N 1.350 121.248 119.914 -0.026 0.000 2.453 226 V HA -0.082 4.039 4.120 0.003 0.000 0.247 226 V C 3.023 179.106 176.094 -0.018 0.000 1.048 226 V CA 2.105 64.392 62.300 -0.022 0.000 1.049 226 V CB -1.175 30.637 31.823 -0.019 0.000 0.672 226 V HN 1.165 nan 8.190 nan 0.000 0.457 227 T N -2.863 111.680 114.554 -0.018 0.000 3.067 227 T HA 0.020 4.372 4.350 0.003 0.000 0.257 227 T C 0.466 175.157 174.700 -0.015 0.000 1.105 227 T CA 0.658 62.748 62.100 -0.015 0.000 1.104 227 T CB 0.116 68.975 68.868 -0.015 0.000 0.925 227 T HN 0.408 nan 8.240 nan 0.000 0.498 228 D N 1.466 121.855 120.400 -0.018 0.000 2.478 228 D HA 0.306 4.948 4.640 0.003 0.000 0.240 228 D C -2.201 174.086 176.300 -0.020 0.000 1.364 228 D CA -2.354 51.636 54.000 -0.017 0.000 0.987 228 D CB 2.199 42.989 40.800 -0.017 0.000 1.328 228 D HN -0.134 nan 8.370 nan 0.000 0.584 229 P HA -0.075 nan 4.420 nan 0.000 0.225 229 P C 0.257 177.544 177.300 -0.021 0.000 1.148 229 P CA 0.794 63.882 63.100 -0.020 0.000 0.779 229 P CB 0.318 32.008 31.700 -0.015 0.000 0.780 230 N N -1.279 117.411 118.700 -0.016 0.000 2.353 230 N HA 0.030 4.772 4.740 0.003 0.000 0.185 230 N C -0.041 175.455 175.510 -0.024 0.000 1.098 230 N CA 0.222 53.264 53.050 -0.014 0.000 0.872 230 N CB 0.147 38.633 38.487 -0.002 0.000 0.970 230 N HN 0.033 nan 8.380 nan 0.000 0.467 231 T N 0.507 115.043 114.554 -0.030 0.000 2.794 231 T HA 0.137 4.489 4.350 0.003 0.000 0.280 231 T C -0.411 174.257 174.700 -0.053 0.000 0.987 231 T CA -0.551 61.525 62.100 -0.040 0.000 0.993 231 T CB 2.181 71.027 68.868 -0.036 0.000 0.939 231 T HN 0.046 nan 8.240 nan 0.000 0.449 232 E N 2.979 123.137 120.200 -0.070 0.000 2.316 232 E HA 0.155 4.507 4.350 0.003 0.000 0.275 232 E C 0.319 176.862 176.600 -0.096 0.000 1.029 232 E CA -0.727 55.613 56.400 -0.100 0.000 0.871 232 E CB 0.562 30.174 29.700 -0.145 0.000 1.022 232 E HN 0.541 nan 8.360 nan 0.000 0.418 233 K N 3.736 124.080 120.400 -0.094 0.000 2.336 233 K HA 0.026 4.348 4.320 0.003 0.000 0.262 233 K C 0.002 176.551 176.600 -0.085 0.000 0.992 233 K CA -0.498 55.745 56.287 -0.075 0.000 0.927 233 K CB 0.529 32.988 32.500 -0.067 0.000 0.956 233 K HN 0.358 nan 8.250 nan 0.000 0.495 234 Q N 0.009 119.790 119.800 -0.032 0.000 2.474 234 Q HA 0.238 4.580 4.340 0.003 0.000 0.256 234 Q C 0.161 176.163 176.000 0.003 0.000 1.048 234 Q CA 0.448 56.264 55.803 0.022 0.000 0.922 234 Q CB 1.253 30.019 28.738 0.047 0.000 1.288 234 Q HN 0.881 nan 8.270 nan 0.000 0.484 235 G N 0.170 109.032 108.800 0.103 0.000 2.706 235 G HA2 0.255 4.217 3.960 0.003 0.000 0.297 235 G HA3 0.255 4.217 3.960 0.003 0.000 0.297 235 G C -0.034 174.984 174.900 0.196 0.000 1.403 235 G CA -0.449 44.698 45.100 0.078 0.000 0.954 235 G HN 0.500 nan 8.290 nan 0.000 0.500 236 E N 0.104 120.369 120.200 0.108 0.000 2.152 236 E HA 0.033 4.385 4.350 0.003 0.000 0.192 236 E C 0.591 177.263 176.600 0.120 0.000 0.983 236 E CA 0.834 57.288 56.400 0.090 0.000 0.818 236 E CB 0.198 29.923 29.700 0.041 0.000 0.758 236 E HN 0.242 nan 8.360 nan 0.000 0.467 237 V N 1.542 121.549 119.914 0.155 0.000 2.525 237 V HA 0.280 4.401 4.120 0.003 0.000 0.299 237 V C -1.045 175.224 176.094 0.291 0.000 1.034 237 V CA -0.797 61.607 62.300 0.172 0.000 0.863 237 V CB 1.313 33.182 31.823 0.077 0.000 0.999 237 V HN -0.021 nan 8.190 nan 0.000 0.423 238 F N 4.858 124.797 119.950 -0.018 0.000 2.413 238 F HA 0.372 4.900 4.527 0.003 0.000 0.359 238 F C 0.195 175.996 175.800 0.001 0.000 1.122 238 F CA -1.084 56.910 58.000 -0.010 0.000 1.160 238 F CB 0.353 39.337 39.000 -0.027 0.000 1.146 238 F HN 0.585 nan 8.300 nan 0.000 0.514 239 Y N 4.922 125.206 120.300 -0.026 0.000 2.578 239 Y HA 0.425 4.977 4.550 0.003 0.000 0.339 239 Y C -0.480 175.361 175.900 -0.098 0.000 1.231 239 Y CA -0.641 57.404 58.100 -0.093 0.000 1.461 239 Y CB 0.584 38.941 38.460 -0.171 0.000 1.323 239 Y HN 0.351 nan 8.280 nan 0.000 0.590 240 V N 2.959 122.269 119.914 -1.006 0.000 3.049 240 V HA 0.601 4.723 4.120 0.003 0.000 0.309 240 V C -2.939 172.246 176.094 -1.515 0.000 1.148 240 V CA -3.055 58.626 62.300 -1.032 0.000 0.990 240 V CB 1.621 33.181 31.823 -0.438 0.000 1.039 240 V HN 0.689 nan 8.190 nan 0.000 0.430 241 P HA 0.115 nan 4.420 nan 0.000 0.263 241 P C 0.590 177.631 177.300 -0.432 0.000 1.175 241 P CA 0.241 62.855 63.100 -0.810 0.000 0.761 241 P CB 0.528 31.527 31.700 -1.169 0.000 0.794 242 R N 3.856 124.244 120.500 -0.188 0.000 2.159 242 R HA -0.226 4.116 4.340 0.003 0.000 0.249 242 R C 1.020 177.396 176.300 0.126 0.000 1.136 242 R CA 2.168 58.258 56.100 -0.016 0.000 0.951 242 R CB -1.227 29.149 30.300 0.126 0.000 0.876 242 R HN 0.463 nan 8.270 nan 0.000 0.440 243 D N 0.168 120.699 120.400 0.218 0.000 2.378 243 D HA -0.068 4.574 4.640 0.003 0.000 0.227 243 D C 1.066 177.485 176.300 0.198 0.000 1.012 243 D CA 0.461 54.657 54.000 0.327 0.000 0.905 243 D CB 0.075 41.101 40.800 0.377 0.000 0.895 243 D HN 0.346 nan 8.370 nan 0.000 0.532 244 E N 0.376 120.611 120.200 0.058 0.000 2.299 244 E HA -0.049 4.302 4.350 0.003 0.000 0.193 244 E C 0.680 177.287 176.600 0.012 0.000 0.998 244 E CA 0.128 56.541 56.400 0.023 0.000 0.851 244 E CB -0.156 29.493 29.700 -0.085 0.000 0.795 244 E HN 0.103 nan 8.360 nan 0.000 0.492 245 N N 1.679 120.377 118.700 -0.003 0.000 2.555 245 N HA 0.045 4.787 4.740 0.003 0.000 0.244 245 N C -0.630 174.896 175.510 0.027 0.000 1.114 245 N CA -0.011 53.033 53.050 -0.011 0.000 0.963 245 N CB -0.099 38.351 38.487 -0.062 0.000 1.276 245 N HN -0.009 nan 8.380 nan 0.000 0.510 246 L N 1.999 123.221 121.223 -0.001 0.000 2.462 246 L HA 0.239 4.581 4.340 0.003 0.000 0.272 246 L C 1.470 178.186 176.870 -0.257 0.000 1.166 246 L CA -0.483 54.289 54.840 -0.114 0.000 0.880 246 L CB 0.241 42.202 42.059 -0.163 0.000 1.142 246 L HN 0.416 nan 8.230 nan 0.000 0.473 247 G N 2.609 111.276 108.800 -0.222 0.000 2.504 247 G HA2 0.411 4.373 3.960 0.003 0.000 0.288 247 G HA3 0.411 4.373 3.960 0.003 0.000 0.288 247 G C -0.658 173.979 174.900 -0.438 0.000 1.182 247 G CA -0.367 44.636 45.100 -0.162 0.000 0.894 247 G HN 0.635 nan 8.290 nan 0.000 0.521 248 H N 0.876 119.969 119.070 0.039 0.000 2.771 248 H HA 0.229 4.787 4.556 0.003 0.000 0.361 248 H C 0.831 176.181 175.328 0.037 0.000 1.108 248 H CA -0.570 55.495 56.048 0.030 0.000 1.201 248 H CB 2.340 32.123 29.762 0.035 0.000 1.681 248 H HN 0.262 nan 8.280 nan 0.000 0.534 249 L N 0.995 122.301 121.223 0.137 0.000 2.093 249 L HA -0.065 4.277 4.340 0.003 0.000 0.208 249 L C 0.473 177.404 176.870 0.102 0.000 1.085 249 L CA 1.484 56.383 54.840 0.099 0.000 0.755 249 L CB -0.084 42.020 42.059 0.076 0.000 0.904 249 L HN 0.223 nan 8.230 nan 0.000 0.435 250 K N -0.413 120.053 120.400 0.111 0.000 2.235 250 K HA 0.167 4.489 4.320 0.003 0.000 0.266 250 K C 1.121 177.762 176.600 0.067 0.000 0.980 250 K CA -0.003 56.329 56.287 0.075 0.000 0.849 250 K CB 1.753 34.286 32.500 0.055 0.000 1.098 250 K HN -0.060 nan 8.250 nan 0.000 0.445 251 S N 2.815 118.546 115.700 0.051 0.000 2.419 251 S HA -0.225 4.247 4.470 0.003 0.000 0.233 251 S C 1.604 176.197 174.600 -0.012 0.000 1.016 251 S CA 1.074 59.294 58.200 0.033 0.000 0.974 251 S CB -0.298 62.921 63.200 0.032 0.000 0.786 251 S HN 0.731 nan 8.310 nan 0.000 0.492 252 K N 0.977 121.370 120.400 -0.013 0.000 2.362 252 K HA -0.049 4.273 4.320 0.003 0.000 0.200 252 K C 0.557 177.116 176.600 -0.069 0.000 1.046 252 K CA 1.405 57.674 56.287 -0.030 0.000 0.952 252 K CB -0.273 32.219 32.500 -0.013 0.000 0.753 252 K HN 0.189 nan 8.250 nan 0.000 0.466 253 D N 1.345 121.678 120.400 -0.111 0.000 2.349 253 D HA 0.058 4.700 4.640 0.003 0.000 0.215 253 D C 0.429 176.375 176.300 -0.591 0.000 1.016 253 D CA 0.387 54.242 54.000 -0.242 0.000 0.870 253 D CB 0.455 41.162 40.800 -0.155 0.000 0.917 253 D HN 0.368 nan 8.370 nan 0.000 0.524 254 A N 0.857 123.425 122.820 -0.419 0.000 3.033 254 A HA 0.156 4.477 4.320 0.003 0.000 0.250 254 A C 1.710 179.213 177.584 -0.135 0.000 1.633 254 A CA -0.162 51.677 52.037 -0.330 0.000 1.290 254 A CB -1.009 17.971 19.000 -0.034 0.000 1.048 254 A HN 0.175 nan 8.150 nan 0.000 0.648 255 L N 0.182 121.324 121.223 -0.134 0.000 2.081 255 L HA -0.251 4.091 4.340 0.003 0.000 0.212 255 L C 2.857 179.743 176.870 0.026 0.000 1.080 255 L CA 1.801 56.628 54.840 -0.022 0.000 0.754 255 L CB -0.433 41.642 42.059 0.026 0.000 0.893 255 L HN 0.747 nan 8.230 nan 0.000 0.433 256 E N 0.560 120.790 120.200 0.049 0.000 2.153 256 E HA -0.230 4.122 4.350 0.003 0.000 0.194 256 E C 2.012 178.637 176.600 0.042 0.000 0.988 256 E CA 1.339 57.783 56.400 0.074 0.000 0.811 256 E CB -0.355 29.408 29.700 0.105 0.000 0.746 256 E HN 0.462 nan 8.360 nan 0.000 0.466 257 I N 1.856 122.445 120.570 0.031 0.000 2.830 257 I HA -0.042 4.129 4.170 0.003 0.000 0.263 257 I C 2.482 178.600 176.117 0.002 0.000 1.230 257 I CA 1.068 62.376 61.300 0.014 0.000 1.480 257 I CB -1.635 36.376 38.000 0.019 0.000 1.095 257 I HN 0.183 nan 8.210 nan 0.000 0.455 258 G N 1.405 110.209 108.800 0.007 0.000 2.422 258 G HA2 -0.268 3.693 3.960 0.003 0.000 0.218 258 G HA3 -0.268 3.693 3.960 0.003 0.000 0.218 258 G C 1.719 176.625 174.900 0.010 0.000 1.146 258 G CA 1.517 46.620 45.100 0.005 0.000 0.769 258 G HN 0.477 nan 8.290 nan 0.000 0.547 259 T N -0.581 113.981 114.554 0.012 0.000 2.788 259 T HA -0.079 4.273 4.350 0.003 0.000 0.268 259 T C 2.123 176.810 174.700 -0.022 0.000 1.044 259 T CA 1.627 63.729 62.100 0.004 0.000 1.139 259 T CB -0.168 68.696 68.868 -0.006 0.000 0.867 259 T HN 0.382 nan 8.240 nan 0.000 0.454 260 K N 0.992 121.370 120.400 -0.036 0.000 2.025 260 K HA -0.051 4.271 4.320 0.003 0.000 0.207 260 K C 2.654 179.232 176.600 -0.037 0.000 1.049 260 K CA 1.425 57.679 56.287 -0.055 0.000 0.933 260 K CB -0.290 32.174 32.500 -0.060 0.000 0.714 260 K HN 0.321 nan 8.250 nan 0.000 0.438 261 S N 1.254 116.940 115.700 -0.023 0.000 2.368 261 S HA -0.152 4.319 4.470 0.003 0.000 0.225 261 S C 1.737 176.326 174.600 -0.018 0.000 1.030 261 S CA 1.191 59.378 58.200 -0.021 0.000 0.999 261 S CB -0.299 62.892 63.200 -0.015 0.000 0.844 261 S HN 0.291 nan 8.310 nan 0.000 0.459 262 L N 1.466 122.690 121.223 0.001 0.000 2.017 262 L HA -0.023 4.318 4.340 0.003 0.000 0.208 262 L C 2.393 179.273 176.870 0.016 0.000 1.073 262 L CA 1.944 56.799 54.840 0.025 0.000 0.745 262 L CB -0.972 41.130 42.059 0.071 0.000 0.894 262 L HN 0.266 nan 8.230 nan 0.000 0.432 263 S N -1.359 114.341 115.700 0.001 0.000 2.357 263 S HA -0.175 4.296 4.470 0.003 0.000 0.221 263 S C 1.886 176.473 174.600 -0.022 0.000 1.031 263 S CA 1.415 59.609 58.200 -0.010 0.000 0.982 263 S CB -0.153 63.025 63.200 -0.037 0.000 0.853 263 S HN 0.697 nan 8.310 nan 0.000 0.458 264 Q N -0.552 119.229 119.800 -0.033 0.000 2.269 264 Q HA 0.220 4.562 4.340 0.003 0.000 0.201 264 Q C 1.771 177.750 176.000 -0.035 0.000 0.946 264 Q CA 0.962 56.744 55.803 -0.034 0.000 0.877 264 Q CB 0.159 28.874 28.738 -0.038 0.000 0.963 264 Q HN 0.565 nan 8.270 nan 0.000 0.472 265 I N -1.239 119.306 120.570 -0.042 0.000 3.366 265 I HA -0.064 4.108 4.170 0.003 0.000 0.267 265 I C 1.896 177.956 176.117 -0.095 0.000 1.149 265 I CA 0.219 61.485 61.300 -0.057 0.000 1.436 265 I CB 0.247 38.216 38.000 -0.052 0.000 1.379 265 I HN -0.102 nan 8.210 nan 0.000 0.460 266 V N 0.886 120.728 119.914 -0.119 0.000 2.323 266 V HA -0.255 3.867 4.120 0.003 0.000 0.244 266 V C 2.434 178.363 176.094 -0.275 0.000 1.041 266 V CA 1.919 64.063 62.300 -0.261 0.000 1.025 266 V CB -0.717 30.958 31.823 -0.247 0.000 0.656 266 V HN 0.446 nan 8.190 nan 0.000 0.451 267 Q N 0.249 120.011 119.800 -0.064 0.000 2.077 267 Q HA -0.219 4.123 4.340 0.003 0.000 0.206 267 Q C -0.096 175.938 176.000 0.055 0.000 0.989 267 Q CA 2.540 58.387 55.803 0.074 0.000 0.853 267 Q CB -0.968 27.815 28.738 0.075 0.000 0.907 267 Q HN 0.476 nan 8.270 nan 0.000 0.418 268 P HA -0.122 nan 4.420 nan 0.000 0.216 268 P C 0.574 177.886 177.300 0.021 0.000 1.150 268 P CA 1.951 65.059 63.100 0.013 0.000 0.837 268 P CB -0.150 31.545 31.700 -0.009 0.000 0.786 269 A N -1.652 121.143 122.820 -0.042 0.000 1.969 269 A HA -0.164 4.158 4.320 0.003 0.000 0.218 269 A C 1.864 179.489 177.584 0.069 0.000 1.169 269 A CA 1.262 53.270 52.037 -0.049 0.000 0.635 269 A CB -1.610 17.292 19.000 -0.164 0.000 0.810 269 A HN 0.038 nan 8.150 nan 0.000 0.445 270 F N 0.436 120.428 119.950 0.071 0.000 2.113 270 F HA -0.063 4.465 4.527 0.003 0.000 0.297 270 F C 2.366 178.290 175.800 0.206 0.000 1.103 270 F CA 1.294 59.377 58.000 0.138 0.000 1.248 270 F CB -0.926 38.131 39.000 0.094 0.000 0.999 270 F HN 0.345 nan 8.300 nan 0.000 0.475 271 E N -0.167 120.209 120.200 0.293 0.000 2.118 271 E HA -0.211 4.141 4.350 0.003 0.000 0.195 271 E C 2.303 179.033 176.600 0.217 0.000 0.992 271 E CA 1.686 58.198 56.400 0.187 0.000 0.804 271 E CB -0.324 29.425 29.700 0.082 0.000 0.741 271 E HN 0.406 nan 8.360 nan 0.000 0.458 272 S N 0.910 116.711 115.700 0.169 0.000 2.383 272 S HA -0.080 4.391 4.470 0.003 0.000 0.227 272 S C 2.241 176.919 174.600 0.130 0.000 1.026 272 S CA 0.824 59.096 58.200 0.118 0.000 0.981 272 S CB -0.144 63.099 63.200 0.071 0.000 0.818 272 S HN 0.281 nan 8.310 nan 0.000 0.472 273 A N 0.650 123.578 122.820 0.179 0.000 1.972 273 A HA 0.152 4.474 4.320 0.003 0.000 0.219 273 A C 1.824 179.391 177.584 -0.028 0.000 1.169 273 A CA 1.201 53.284 52.037 0.077 0.000 0.635 273 A CB -0.881 18.174 19.000 0.092 0.000 0.810 273 A HN 0.556 nan 8.150 nan 0.000 0.446 274 F N 0.276 120.236 119.950 0.018 0.000 2.270 274 F HA -0.025 4.503 4.527 0.003 0.000 0.295 274 F C 2.001 177.795 175.800 -0.010 0.000 1.087 274 F CA 1.137 59.129 58.000 -0.012 0.000 1.365 274 F CB -0.272 38.711 39.000 -0.029 0.000 1.056 274 F HN 0.160 nan 8.300 nan 0.000 0.506 275 D N 0.376 120.881 120.400 0.176 0.000 2.144 275 D HA -0.118 4.523 4.640 0.003 0.000 0.199 275 D C 2.116 178.444 176.300 0.046 0.000 0.984 275 D CA 1.243 55.298 54.000 0.092 0.000 0.834 275 D CB -0.390 40.454 40.800 0.074 0.000 0.955 275 D HN 0.251 nan 8.370 nan 0.000 0.465 276 L N 0.070 121.312 121.223 0.031 0.000 2.599 276 L HA 0.082 4.424 4.340 0.003 0.000 0.230 276 L C 0.352 177.207 176.870 -0.025 0.000 1.141 276 L CA 0.081 54.923 54.840 0.003 0.000 0.877 276 L CB -0.299 41.762 42.059 0.003 0.000 1.009 276 L HN -0.061 nan 8.230 nan 0.000 0.447 277 K N -0.353 120.023 120.400 -0.041 0.000 3.150 277 K HA -0.181 4.141 4.320 0.003 0.000 0.267 277 K C 0.859 177.392 176.600 -0.112 0.000 1.028 277 K CA 0.429 56.667 56.287 -0.082 0.000 0.753 277 K CB -1.802 30.669 32.500 -0.049 0.000 1.288 277 K HN 0.219 nan 8.250 nan 0.000 0.473 278 S N -0.406 115.209 115.700 -0.143 0.000 2.548 278 S HA 0.004 4.476 4.470 0.003 0.000 0.215 278 S C 0.567 175.055 174.600 -0.186 0.000 0.976 278 S CA 0.478 58.600 58.200 -0.130 0.000 0.908 278 S CB 0.746 63.895 63.200 -0.085 0.000 0.781 278 S HN 0.504 nan 8.310 nan 0.000 0.519 279 T N 2.057 116.430 114.554 -0.302 0.000 2.932 279 T HA 0.425 4.777 4.350 0.003 0.000 0.318 279 T C -3.173 171.307 174.700 -0.366 0.000 1.265 279 T CA -1.847 60.049 62.100 -0.341 0.000 1.036 279 T CB 1.171 69.761 68.868 -0.464 0.000 1.209 279 T HN -0.263 nan 8.240 nan 0.000 0.484 280 P HA 0.124 nan 4.420 nan 0.000 0.264 280 P C 1.027 178.227 177.300 -0.167 0.000 1.183 280 P CA -0.342 62.663 63.100 -0.159 0.000 0.763 280 P CB 0.312 31.957 31.700 -0.091 0.000 0.807 281 I N 0.553 121.088 120.570 -0.059 0.000 2.394 281 I HA -0.074 4.098 4.170 0.003 0.000 0.251 281 I C 1.086 177.244 176.117 0.069 0.000 1.136 281 I CA 1.664 63.028 61.300 0.106 0.000 1.425 281 I CB -0.888 37.170 38.000 0.097 0.000 1.079 281 I HN 0.396 nan 8.210 nan 0.000 0.425 282 E N -0.025 120.165 120.200 -0.016 0.000 2.299 282 E HA 0.378 4.730 4.350 0.003 0.000 0.265 282 E C -1.059 175.530 176.600 -0.018 0.000 0.911 282 E CA -0.910 55.456 56.400 -0.057 0.000 0.789 282 E CB 1.947 31.660 29.700 0.022 0.000 1.246 282 E HN -0.156 nan 8.360 nan 0.000 0.427 283 F N 2.012 122.006 119.950 0.073 0.000 2.443 283 F HA 0.054 4.583 4.527 0.003 0.000 0.353 283 F C 1.901 177.766 175.800 0.110 0.000 1.101 283 F CA -0.033 58.014 58.000 0.078 0.000 1.226 283 F CB 0.474 39.496 39.000 0.037 0.000 1.140 283 F HN 0.501 nan 8.300 nan 0.000 0.557 284 H N -0.243 118.943 119.070 0.193 0.000 2.740 284 H HA 0.271 4.829 4.556 0.003 0.000 0.265 284 H C -0.254 175.097 175.328 0.038 0.000 0.978 284 H CA 0.710 56.810 56.048 0.087 0.000 1.198 284 H CB 0.487 30.275 29.762 0.044 0.000 1.467 284 H HN 0.445 nan 8.280 nan 0.000 0.511 285 S N -0.899 114.581 115.700 -0.366 0.000 2.588 285 S HA 0.277 4.748 4.470 0.003 0.000 0.269 285 S C -0.005 174.539 174.600 -0.093 0.000 1.157 285 S CA -0.769 57.182 58.200 -0.414 0.000 0.824 285 S CB 0.387 63.199 63.200 -0.647 0.000 1.126 285 S HN -0.088 nan 8.310 nan 0.000 0.464 286 F N 1.264 121.086 119.950 -0.212 0.000 2.216 286 F HA 0.019 4.548 4.527 0.003 0.000 0.300 286 F C 2.743 178.385 175.800 -0.263 0.000 1.085 286 F CA 1.519 59.369 58.000 -0.250 0.000 1.326 286 F CB -1.167 37.789 39.000 -0.073 0.000 1.027 286 F HN 0.728 nan 8.300 nan 0.000 0.497 287 Q N 0.886 120.769 119.800 0.139 0.000 2.170 287 Q HA -0.176 4.166 4.340 0.003 0.000 0.203 287 Q C 1.522 177.526 176.000 0.007 0.000 0.976 287 Q CA 1.720 57.615 55.803 0.154 0.000 0.858 287 Q CB -0.533 28.270 28.738 0.107 0.000 0.907 287 Q HN 0.246 nan 8.270 nan 0.000 0.433 288 D N -1.094 119.296 120.400 -0.016 0.000 2.178 288 D HA -0.113 4.528 4.640 0.003 0.000 0.201 288 D C 1.694 177.898 176.300 -0.160 0.000 0.980 288 D CA 1.140 55.162 54.000 0.038 0.000 0.842 288 D CB 0.087 41.031 40.800 0.239 0.000 0.948 288 D HN 0.192 nan 8.370 nan 0.000 0.472 289 V N 0.943 120.561 119.914 -0.494 0.000 2.407 289 V HA -0.162 3.960 4.120 0.003 0.000 0.245 289 V C 2.166 177.931 176.094 -0.547 0.000 1.041 289 V CA 1.199 63.031 62.300 -0.781 0.000 1.040 289 V CB -0.484 30.719 31.823 -1.033 0.000 0.671 289 V HN 0.283 nan 8.190 nan 0.000 0.455 290 H N 0.098 118.944 119.070 -0.373 0.000 2.421 290 H HA -0.134 4.424 4.556 0.003 0.000 0.298 290 H C 2.107 176.962 175.328 -0.789 0.000 1.087 290 H CA 1.534 57.201 56.048 -0.635 0.000 1.330 290 H CB -0.302 29.284 29.762 -0.293 0.000 1.388 290 H HN 0.428 nan 8.280 nan 0.000 0.526 291 D N 0.823 121.068 120.400 -0.259 0.000 2.182 291 D HA -0.115 4.527 4.640 0.003 0.000 0.201 291 D C 2.393 178.611 176.300 -0.138 0.000 0.986 291 D CA 0.337 54.245 54.000 -0.153 0.000 0.847 291 D CB -0.264 40.521 40.800 -0.026 0.000 0.942 291 D HN 0.334 nan 8.370 nan 0.000 0.467 292 L N 0.002 121.136 121.223 -0.147 0.000 2.127 292 L HA -0.203 4.139 4.340 0.003 0.000 0.211 292 L C 1.851 178.865 176.870 0.239 0.000 1.089 292 L CA 1.168 56.064 54.840 0.094 0.000 0.757 292 L CB -0.535 41.554 42.059 0.050 0.000 0.899 292 L HN 0.255 nan 8.230 nan 0.000 0.434 293 Y N -2.785 117.636 120.300 0.200 0.000 2.555 293 Y HA 0.395 4.947 4.550 0.003 0.000 0.259 293 Y C 1.305 177.292 175.900 0.145 0.000 1.179 293 Y CA -0.740 57.489 58.100 0.214 0.000 1.230 293 Y CB -0.485 38.090 38.460 0.191 0.000 1.146 293 Y HN 0.079 nan 8.280 nan 0.000 0.526 294 E N 0.777 120.977 120.200 0.000 0.000 3.018 294 E HA 0.258 4.610 4.350 0.003 0.000 0.293 294 E C 1.910 178.546 176.600 0.060 0.000 0.886 294 E CA 0.173 56.597 56.400 0.039 0.000 1.132 294 E CB -0.426 29.241 29.700 -0.055 0.000 2.610 294 E HN 0.277 nan 8.360 nan 0.000 0.572 295 G N 0.187 109.006 108.800 0.032 0.000 2.484 295 G HA2 0.272 4.234 3.960 0.003 0.000 0.218 295 G HA3 0.272 4.234 3.960 0.003 0.000 0.218 295 G C 0.702 175.641 174.900 0.066 0.000 1.130 295 G CA 0.674 45.802 45.100 0.046 0.000 0.784 295 G HN 0.596 nan 8.290 nan 0.000 0.543 296 G N -0.817 108.030 108.800 0.079 0.000 2.582 296 G HA2 -0.067 3.895 3.960 0.003 0.000 0.222 296 G HA3 -0.067 3.895 3.960 0.003 0.000 0.222 296 G C -0.753 174.214 174.900 0.112 0.000 1.311 296 G CA -0.235 44.939 45.100 0.123 0.000 0.915 296 G HN 0.823 nan 8.290 nan 0.000 0.528 297 I N 0.085 120.733 120.570 0.129 0.000 2.509 297 I HA 0.599 4.771 4.170 0.003 0.000 0.293 297 I C -0.023 176.138 176.117 0.073 0.000 1.020 297 I CA -1.140 60.223 61.300 0.105 0.000 1.088 297 I CB 1.331 39.419 38.000 0.146 0.000 1.267 297 I HN 0.524 nan 8.210 nan 0.000 0.430 298 K N 7.962 128.388 120.400 0.044 0.000 2.227 298 K HA 0.568 4.890 4.320 0.003 0.000 0.280 298 K C -1.184 175.438 176.600 0.037 0.000 1.041 298 K CA -0.380 55.933 56.287 0.043 0.000 0.905 298 K CB 1.389 33.888 32.500 -0.002 0.000 1.068 298 K HN 0.513 nan 8.250 nan 0.000 0.470 299 L N 3.586 124.860 121.223 0.086 0.000 2.309 299 L HA 0.495 4.837 4.340 0.003 0.000 0.261 299 L C -2.404 174.550 176.870 0.141 0.000 1.021 299 L CA -2.806 52.082 54.840 0.079 0.000 0.823 299 L CB 1.921 44.038 42.059 0.097 0.000 1.366 299 L HN 0.334 nan 8.230 nan 0.000 0.423 300 P HA 0.090 nan 4.420 nan 0.000 0.266 300 P C 0.037 177.363 177.300 0.044 0.000 1.193 300 P CA 0.069 63.235 63.100 0.110 0.000 0.770 300 P CB 0.546 32.276 31.700 0.050 0.000 0.836 301 R N 2.340 122.825 120.500 -0.024 0.000 2.096 301 R HA -0.185 4.156 4.340 0.003 0.000 0.240 301 R C 1.668 177.899 176.300 -0.115 0.000 1.139 301 R CA 2.111 58.081 56.100 -0.215 0.000 0.952 301 R CB -0.660 29.508 30.300 -0.221 0.000 0.854 301 R HN 0.677 nan 8.270 nan 0.000 0.436 302 D N 0.114 120.479 120.400 -0.059 0.000 2.310 302 D HA -0.091 4.550 4.640 0.003 0.000 0.212 302 D C 1.660 177.931 176.300 -0.049 0.000 0.965 302 D CA 0.789 54.760 54.000 -0.048 0.000 0.879 302 D CB -0.043 40.740 40.800 -0.027 0.000 0.921 302 D HN 0.118 nan 8.370 nan 0.000 0.510 303 V N 1.211 121.101 119.914 -0.039 0.000 2.407 303 V HA -0.160 3.961 4.120 0.003 0.000 0.245 303 V C 2.641 178.684 176.094 -0.085 0.000 1.041 303 V CA 0.656 62.928 62.300 -0.046 0.000 1.040 303 V CB -0.206 31.625 31.823 0.014 0.000 0.671 303 V HN 0.152 nan 8.190 nan 0.000 0.455 304 I N 0.411 120.934 120.570 -0.078 0.000 2.286 304 I HA -0.158 4.014 4.170 0.003 0.000 0.248 304 I C 2.494 178.558 176.117 -0.088 0.000 1.115 304 I CA 1.528 62.771 61.300 -0.095 0.000 1.392 304 I CB -1.280 36.658 38.000 -0.102 0.000 1.065 304 I HN 0.287 nan 8.210 nan 0.000 0.418 305 S N 0.302 115.951 115.700 -0.085 0.000 2.423 305 S HA -0.113 4.359 4.470 0.003 0.000 0.231 305 S C 1.966 176.530 174.600 -0.061 0.000 1.014 305 S CA 1.393 59.552 58.200 -0.068 0.000 0.965 305 S CB -0.232 62.929 63.200 -0.065 0.000 0.785 305 S HN 0.489 nan 8.310 nan 0.000 0.495 306 T N 2.014 116.524 114.554 -0.073 0.000 2.942 306 T HA 0.192 4.544 4.350 0.003 0.000 0.265 306 T C 1.647 176.299 174.700 -0.080 0.000 1.062 306 T CA 0.667 62.722 62.100 -0.075 0.000 1.139 306 T CB -0.134 68.678 68.868 -0.092 0.000 0.883 306 T HN 0.323 nan 8.240 nan 0.000 0.468 307 I N 0.397 120.910 120.570 -0.095 0.000 2.296 307 I HA 0.074 4.246 4.170 0.003 0.000 0.242 307 I C 2.274 178.384 176.117 -0.011 0.000 1.087 307 I CA 0.647 61.906 61.300 -0.069 0.000 1.393 307 I CB -0.246 37.684 38.000 -0.117 0.000 1.093 307 I HN 0.117 nan 8.210 nan 0.000 0.421 308 I N 2.287 122.848 120.570 -0.015 0.000 2.381 308 I HA -0.225 3.947 4.170 0.003 0.000 0.255 308 I C -0.480 175.638 176.117 0.002 0.000 1.140 308 I CA 1.559 62.861 61.300 0.004 0.000 1.404 308 I CB -0.589 37.404 38.000 -0.011 0.000 1.075 308 I HN 0.186 nan 8.210 nan 0.000 0.433 309 P HA 0.077 nan 4.420 nan 0.000 0.257 309 P C 0.236 177.533 177.300 -0.005 0.000 1.241 309 P CA 0.251 63.347 63.100 -0.007 0.000 0.816 309 P CB 0.092 31.784 31.700 -0.012 0.000 1.150 310 L N 3.483 124.703 121.223 -0.005 0.000 2.410 310 L HA 0.252 4.594 4.340 0.003 0.000 0.273 310 L C -1.842 175.025 176.870 -0.004 0.000 1.152 310 L CA -2.054 52.783 54.840 -0.006 0.000 0.855 310 L CB -0.137 41.916 42.059 -0.009 0.000 1.129 310 L HN -0.086 nan 8.230 nan 0.000 0.463 311 P HA 0.074 nan 4.420 nan 0.000 0.271 311 P C 0.794 178.085 177.300 -0.016 0.000 1.218 311 P CA -0.046 63.050 63.100 -0.007 0.000 0.780 311 P CB 1.787 33.487 31.700 -0.000 0.000 0.901 312 V N 1.358 121.256 119.914 -0.027 0.000 0.516 312 V HA -0.350 3.772 4.120 0.003 0.000 0.092 312 V C 2.246 178.303 176.094 -0.063 0.000 2.243 312 V CA 2.327 64.602 62.300 -0.042 0.000 3.573 312 V CB -2.071 29.732 31.823 -0.034 0.000 0.862 312 V HN 0.460 nan 8.190 nan 0.000 0.902 313 I N 1.426 121.971 120.570 -0.043 0.000 2.163 313 I HA -0.239 3.933 4.170 0.003 0.000 0.243 313 I C 2.588 178.673 176.117 -0.054 0.000 1.085 313 I CA 2.805 64.079 61.300 -0.044 0.000 1.347 313 I CB -1.290 36.722 38.000 0.019 0.000 1.044 313 I HN 0.846 nan 8.210 nan 0.000 0.408 314 K N 0.843 121.237 120.400 -0.011 0.000 2.281 314 K HA -0.160 4.162 4.320 0.003 0.000 0.203 314 K C 1.295 177.874 176.600 -0.035 0.000 1.046 314 K CA 1.178 57.473 56.287 0.013 0.000 0.938 314 K CB -0.211 32.295 32.500 0.011 0.000 0.737 314 K HN 0.296 nan 8.250 nan 0.000 0.458 315 E N 1.173 121.320 120.200 -0.088 0.000 2.435 315 E HA 0.004 4.356 4.350 0.003 0.000 0.195 315 E C 1.952 178.429 176.600 -0.205 0.000 1.029 315 E CA 0.418 56.755 56.400 -0.105 0.000 0.865 315 E CB -0.019 29.631 29.700 -0.083 0.000 0.833 315 E HN 0.428 nan 8.360 nan 0.000 0.510 316 L N -0.325 120.664 121.223 -0.391 0.000 2.217 316 L HA -0.050 4.292 4.340 0.003 0.000 0.211 316 L C 0.218 176.603 176.870 -0.809 0.000 1.107 316 L CA 0.846 55.254 54.840 -0.720 0.000 0.783 316 L CB -0.146 41.213 42.059 -1.167 0.000 0.919 316 L HN 0.053 nan 8.230 nan 0.000 0.442 317 Y N -1.741 118.466 120.300 -0.154 0.000 2.524 317 Y HA 0.514 5.066 4.550 0.003 0.000 0.347 317 Y C -0.025 175.824 175.900 -0.086 0.000 1.005 317 Y CA -1.378 56.616 58.100 -0.176 0.000 1.025 317 Y CB 0.922 39.228 38.460 -0.257 0.000 1.275 317 Y HN -0.222 nan 8.280 nan 0.000 0.460 318 R N 0.654 121.222 120.500 0.113 0.000 2.459 318 R HA 0.680 5.022 4.340 0.003 0.000 0.281 318 R C -0.452 175.894 176.300 0.076 0.000 1.050 318 R CA -0.459 55.687 56.100 0.077 0.000 1.055 318 R CB 1.677 32.018 30.300 0.069 0.000 1.045 318 R HN 0.801 nan 8.270 nan 0.000 0.495 319 T N -0.662 113.924 114.554 0.053 0.000 2.843 319 T HA 0.097 4.449 4.350 0.003 0.000 0.302 319 T C -0.492 174.226 174.700 0.030 0.000 1.232 319 T CA -0.812 61.310 62.100 0.036 0.000 1.009 319 T CB 1.296 70.178 68.868 0.022 0.000 1.254 319 T HN 0.705 nan 8.240 nan 0.000 0.504 320 D N 0.361 120.777 120.400 0.027 0.000 2.349 320 D HA 0.232 4.874 4.640 0.003 0.000 0.214 320 D C 1.482 177.787 176.300 0.009 0.000 1.063 320 D CA 0.766 54.782 54.000 0.026 0.000 0.847 320 D CB -0.344 40.481 40.800 0.042 0.000 0.933 320 D HN 1.156 nan 8.370 nan 0.000 0.513 321 G N 0.347 109.143 108.800 -0.005 0.000 2.184 321 G HA2 -0.381 3.581 3.960 0.003 0.000 0.264 321 G HA3 -0.381 3.581 3.960 0.003 0.000 0.264 321 G C 0.904 175.766 174.900 -0.065 0.000 0.975 321 G CA 0.796 45.880 45.100 -0.026 0.000 0.642 321 G HN 0.482 nan 8.290 nan 0.000 0.536 322 Q N -2.629 117.126 119.800 -0.076 0.000 2.631 322 Q HA 0.301 4.643 4.340 0.003 0.000 0.220 322 Q C 1.614 177.384 176.000 -0.383 0.000 0.819 322 Q CA 0.739 56.419 55.803 -0.205 0.000 0.914 322 Q CB 0.599 29.274 28.738 -0.105 0.000 1.248 322 Q HN 0.648 nan 8.270 nan 0.000 0.629 323 H N -1.219 117.847 119.070 -0.008 0.000 3.622 323 H HA 0.360 4.918 4.556 0.003 0.000 0.259 323 H C -0.377 174.946 175.328 -0.008 0.000 1.145 323 H CA -0.158 55.884 56.048 -0.010 0.000 1.178 323 H CB 1.537 31.293 29.762 -0.009 0.000 1.542 323 H HN 0.002 nan 8.280 nan 0.000 0.586 324 I N 2.086 122.714 120.570 0.097 0.000 2.392 324 I HA 0.252 4.423 4.170 0.003 0.000 0.295 324 I C -0.777 175.351 176.117 0.017 0.000 0.985 324 I CA -0.535 60.803 61.300 0.063 0.000 1.221 324 I CB 2.024 40.064 38.000 0.067 0.000 1.366 324 I HN -0.049 nan 8.210 nan 0.000 0.467 325 L N 6.284 127.508 121.223 0.003 0.000 2.381 325 L HA 0.505 4.846 4.340 0.003 0.000 0.274 325 L C -0.519 176.372 176.870 0.035 0.000 0.988 325 L CA -0.666 54.126 54.840 -0.080 0.000 0.824 325 L CB 1.980 43.859 42.059 -0.299 0.000 1.263 325 L HN 0.535 nan 8.230 nan 0.000 0.410 326 K N 3.302 123.752 120.400 0.083 0.000 2.450 326 K HA 0.517 4.839 4.320 0.003 0.000 0.257 326 K C -1.111 175.629 176.600 0.233 0.000 0.953 326 K CA -0.516 55.885 56.287 0.189 0.000 0.844 326 K CB 1.264 33.856 32.500 0.153 0.000 1.103 326 K HN 0.185 nan 8.250 nan 0.000 0.429 327 F N 4.602 124.735 119.950 0.304 0.000 2.380 327 F HA 0.308 4.836 4.527 0.003 0.000 0.325 327 F C -1.492 174.464 175.800 0.260 0.000 1.136 327 F CA -1.765 56.426 58.000 0.318 0.000 1.171 327 F CB 0.496 39.739 39.000 0.405 0.000 1.230 327 F HN 0.454 nan 8.300 nan 0.000 0.554 328 P HA -0.011 nan 4.420 nan 0.000 0.274 328 P C -1.272 176.181 177.300 0.255 0.000 1.231 328 P CA -0.564 62.656 63.100 0.201 0.000 0.790 328 P CB 0.733 32.445 31.700 0.019 0.000 0.951 329 Q N 2.868 122.716 119.800 0.080 0.000 2.271 329 Q HA 0.150 4.492 4.340 0.003 0.000 0.273 329 Q C -2.049 173.815 176.000 -0.227 0.000 1.051 329 Q CA -1.573 54.094 55.803 -0.227 0.000 0.901 329 Q CB -0.126 28.506 28.738 -0.176 0.000 1.174 329 Q HN 0.285 nan 8.270 nan 0.000 0.385 330 P HA -0.010 nan 4.420 nan 0.000 0.268 330 P C -0.429 176.712 177.300 -0.265 0.000 1.205 330 P CA 0.093 63.045 63.100 -0.248 0.000 0.771 330 P CB 0.630 32.039 31.700 -0.485 0.000 0.858 331 H N 1.009 119.901 119.070 -0.296 0.000 2.390 331 H HA -0.145 4.413 4.556 0.003 0.000 0.298 331 H C 1.783 176.890 175.328 -0.369 0.000 1.106 331 H CA 1.508 57.333 56.048 -0.373 0.000 1.297 331 H CB -0.635 28.751 29.762 -0.626 0.000 1.375 331 H HN 0.145 nan 8.280 nan 0.000 0.509 332 V N 1.061 120.819 119.914 -0.261 0.000 2.867 332 V HA -0.126 3.996 4.120 0.003 0.000 0.260 332 V C 1.638 177.690 176.094 -0.071 0.000 1.099 332 V CA 1.651 63.850 62.300 -0.168 0.000 1.122 332 V CB -0.332 31.438 31.823 -0.087 0.000 0.708 332 V HN 0.490 nan 8.190 nan 0.000 0.490 333 V N -3.749 116.087 119.914 -0.129 0.000 3.427 333 V HA 0.218 4.339 4.120 0.003 0.000 0.305 333 V C 1.725 177.766 176.094 -0.087 0.000 1.412 333 V CA 0.521 62.780 62.300 -0.069 0.000 1.086 333 V CB 0.059 31.837 31.823 -0.076 0.000 0.964 333 V HN 0.450 nan 8.190 nan 0.000 0.439 334 Q N 0.394 120.121 119.800 -0.122 0.000 2.226 334 Q HA -0.058 4.284 4.340 0.003 0.000 0.204 334 Q C 1.987 177.955 176.000 -0.052 0.000 0.975 334 Q CA 2.050 57.789 55.803 -0.107 0.000 0.866 334 Q CB 0.194 28.843 28.738 -0.147 0.000 0.915 334 Q HN 0.694 nan 8.270 nan 0.000 0.440 335 V N -1.605 118.290 119.914 -0.030 0.000 2.908 335 V HA 0.079 4.201 4.120 0.003 0.000 0.240 335 V C 0.459 176.554 176.094 0.002 0.000 1.117 335 V CA 0.435 62.730 62.300 -0.009 0.000 1.133 335 V CB 1.461 33.285 31.823 0.002 0.000 0.857 335 V HN -0.005 nan 8.190 nan 0.000 0.478 336 S N 0.154 115.862 115.700 0.012 0.000 2.733 336 S HA 0.284 4.756 4.470 0.003 0.000 0.294 336 S C 0.550 175.182 174.600 0.054 0.000 1.149 336 S CA -0.466 57.748 58.200 0.023 0.000 1.034 336 S CB 1.740 64.954 63.200 0.022 0.000 1.015 336 S HN 0.502 nan 8.310 nan 0.000 0.486 337 Q N 3.323 123.151 119.800 0.046 0.000 2.435 337 Q HA 0.032 4.374 4.340 0.003 0.000 0.207 337 Q C 1.141 177.292 176.000 0.251 0.000 0.956 337 Q CA 1.519 57.384 55.803 0.105 0.000 0.917 337 Q CB -0.121 28.575 28.738 -0.071 0.000 0.997 337 Q HN 0.648 nan 8.270 nan 0.000 0.497 338 S N -1.115 114.645 115.700 0.100 0.000 2.512 338 S HA 0.379 4.851 4.470 0.003 0.000 0.216 338 S C 1.944 176.383 174.600 -0.269 0.000 1.006 338 S CA 0.010 58.169 58.200 -0.067 0.000 0.915 338 S CB 0.373 63.527 63.200 -0.077 0.000 0.824 338 S HN 0.417 nan 8.310 nan 0.000 0.497 339 A N 2.761 125.544 122.820 -0.062 0.000 2.024 339 A HA -0.047 4.275 4.320 0.003 0.000 0.220 339 A C 1.984 179.544 177.584 -0.041 0.000 1.164 339 A CA 1.306 53.313 52.037 -0.050 0.000 0.643 339 A CB -1.426 17.595 19.000 0.035 0.000 0.806 339 A HN 0.953 nan 8.150 nan 0.000 0.451 340 W N -0.494 120.809 121.300 0.006 0.000 2.364 340 W HA -0.166 4.496 4.660 0.003 0.000 0.281 340 W C 1.400 177.918 176.519 -0.003 0.000 1.219 340 W CA 1.236 58.585 57.345 0.006 0.000 1.220 340 W CB -1.038 28.401 29.460 -0.034 0.000 1.127 340 W HN 0.310 nan 8.180 nan 0.000 0.556 341 M N 1.653 120.618 119.600 -1.059 0.000 2.557 341 M HA -0.013 4.468 4.480 0.003 0.000 0.259 341 M C 1.064 177.140 176.300 -0.374 0.000 1.086 341 M CA 1.290 55.981 55.300 -1.015 0.000 1.096 341 M CB -0.801 31.096 32.600 -1.172 0.000 1.424 341 M HN -0.119 nan 8.290 nan 0.000 0.488 342 T N -1.995 112.438 114.554 -0.202 0.000 2.907 342 T HA 0.078 4.429 4.350 0.003 0.000 0.298 342 T C 0.544 175.289 174.700 0.075 0.000 1.017 342 T CA -0.640 61.429 62.100 -0.051 0.000 1.118 342 T CB 1.186 70.042 68.868 -0.020 0.000 0.948 342 T HN 0.042 nan 8.240 nan 0.000 0.531 343 D N 1.551 122.031 120.400 0.133 0.000 2.178 343 D HA -0.059 4.583 4.640 0.003 0.000 0.201 343 D C 1.890 178.345 176.300 0.257 0.000 0.980 343 D CA 1.149 55.310 54.000 0.268 0.000 0.842 343 D CB -0.080 40.890 40.800 0.282 0.000 0.948 343 D HN 0.739 nan 8.370 nan 0.000 0.472 344 E N 0.447 120.736 120.200 0.149 0.000 2.038 344 E HA -0.189 4.162 4.350 0.003 0.000 0.195 344 E C 1.929 178.596 176.600 0.112 0.000 1.000 344 E CA 1.150 57.616 56.400 0.110 0.000 0.803 344 E CB -0.160 29.581 29.700 0.068 0.000 0.750 344 E HN 0.171 nan 8.360 nan 0.000 0.448 345 E N -0.152 120.123 120.200 0.124 0.000 2.106 345 E HA -0.144 4.207 4.350 0.003 0.000 0.192 345 E C 1.713 178.403 176.600 0.151 0.000 0.984 345 E CA 0.696 57.172 56.400 0.128 0.000 0.806 345 E CB -0.382 29.406 29.700 0.146 0.000 0.750 345 E HN 0.277 nan 8.360 nan 0.000 0.458 346 F N 0.785 120.760 119.950 0.042 0.000 2.065 346 F HA -0.215 4.314 4.527 0.003 0.000 0.298 346 F C 2.008 177.811 175.800 0.006 0.000 1.112 346 F CA 2.196 60.214 58.000 0.031 0.000 1.212 346 F CB -0.797 38.227 39.000 0.041 0.000 0.975 346 F HN 0.099 nan 8.300 nan 0.000 0.476 347 A N 0.424 123.230 122.820 -0.024 0.000 1.897 347 A HA -0.120 4.201 4.320 0.003 0.000 0.215 347 A C 2.410 179.883 177.584 -0.185 0.000 1.181 347 A CA 1.338 53.265 52.037 -0.183 0.000 0.620 347 A CB -0.856 18.139 19.000 -0.008 0.000 0.821 347 A HN 0.473 nan 8.150 nan 0.000 0.443 348 R N 0.095 120.539 120.500 -0.093 0.000 2.105 348 R HA -0.162 4.180 4.340 0.003 0.000 0.239 348 R C 1.745 177.959 176.300 -0.144 0.000 1.135 348 R CA 1.747 57.786 56.100 -0.101 0.000 0.967 348 R CB -0.269 30.021 30.300 -0.017 0.000 0.861 348 R HN 0.659 nan 8.270 nan 0.000 0.442 349 E N -0.136 119.966 120.200 -0.163 0.000 2.333 349 E HA -0.175 4.176 4.350 0.003 0.000 0.198 349 E C 1.776 178.219 176.600 -0.261 0.000 1.007 349 E CA 0.967 57.212 56.400 -0.258 0.000 0.845 349 E CB -0.005 29.501 29.700 -0.324 0.000 0.766 349 E HN 0.459 nan 8.360 nan 0.000 0.507 350 M N 0.051 119.489 119.600 -0.270 0.000 2.476 350 M HA -0.023 4.458 4.480 0.003 0.000 0.262 350 M C 2.027 178.176 176.300 -0.251 0.000 1.079 350 M CA 1.058 56.203 55.300 -0.258 0.000 1.104 350 M CB 0.105 32.521 32.600 -0.306 0.000 1.409 350 M HN 0.200 nan 8.290 nan 0.000 0.467 351 I N -4.891 115.509 120.570 -0.283 0.000 4.227 351 I HA 0.434 4.605 4.170 0.003 0.000 0.334 351 I C 1.091 177.165 176.117 -0.071 0.000 1.341 351 I CA -0.065 61.051 61.300 -0.307 0.000 1.123 351 I CB 0.358 37.945 38.000 -0.689 0.000 1.097 351 I HN -0.020 nan 8.210 nan 0.000 0.399 352 A N 1.132 123.876 122.820 -0.126 0.000 2.596 352 A HA 0.710 5.032 4.320 0.003 0.000 0.276 352 A C 0.746 178.396 177.584 0.110 0.000 0.962 352 A CA 0.139 52.084 52.037 -0.153 0.000 1.010 352 A CB -0.408 18.492 19.000 -0.167 0.000 1.220 352 A HN 0.383 nan 8.150 nan 0.000 0.549 353 G N -1.094 107.638 108.800 -0.113 0.000 2.641 353 G HA2 0.395 4.357 3.960 0.003 0.000 0.239 353 G HA3 0.395 4.357 3.960 0.003 0.000 0.239 353 G C 0.981 175.777 174.900 -0.174 0.000 1.402 353 G CA 0.493 45.300 45.100 -0.489 0.000 1.046 353 G HN 0.409 nan 8.290 nan 0.000 0.565 354 V N -0.006 119.721 119.914 -0.311 0.000 2.626 354 V HA 0.030 4.152 4.120 0.003 0.000 0.252 354 V C 0.978 176.943 176.094 -0.216 0.000 1.067 354 V CA 1.689 63.900 62.300 -0.149 0.000 1.081 354 V CB -0.417 31.235 31.823 -0.284 0.000 0.686 354 V HN 0.637 nan 8.190 nan 0.000 0.468 355 N N 0.102 118.698 118.700 -0.173 0.000 2.791 355 N HA 0.261 5.003 4.740 0.003 0.000 0.265 355 N C -2.407 173.088 175.510 -0.025 0.000 1.580 355 N CA -0.923 52.138 53.050 0.019 0.000 0.809 355 N CB 1.529 40.085 38.487 0.116 0.000 1.178 355 N HN 0.274 nan 8.380 nan 0.000 0.499 356 P HA 0.148 nan 4.420 nan 0.000 0.256 356 P C 0.523 177.827 177.300 0.007 0.000 1.384 356 P CA 0.074 63.132 63.100 -0.071 0.000 0.879 356 P CB -0.647 31.018 31.700 -0.058 0.000 1.403 357 C N -3.056 116.238 119.300 -0.010 0.000 2.969 357 C HA 0.500 4.962 4.460 0.003 0.000 0.260 357 C C 1.373 176.447 174.990 0.140 0.000 1.618 357 C CA -0.487 58.595 59.018 0.106 0.000 1.774 357 C CB -1.127 26.634 27.740 0.035 0.000 3.063 357 C HN 0.029 nan 8.230 nan 0.000 0.506 358 V N 0.527 120.495 119.914 0.089 0.000 3.455 358 V HA 0.221 4.343 4.120 0.003 0.000 0.250 358 V C 1.236 177.298 176.094 -0.053 0.000 1.230 358 V CA 0.177 62.491 62.300 0.022 0.000 1.105 358 V CB -0.090 31.730 31.823 -0.005 0.000 0.850 358 V HN 0.681 nan 8.190 nan 0.000 0.461 359 I N 1.965 122.504 120.570 -0.052 0.000 2.880 359 I HA -0.002 4.170 4.170 0.003 0.000 0.296 359 I C 0.359 176.491 176.117 0.025 0.000 1.220 359 I CA 0.844 62.106 61.300 -0.064 0.000 1.435 359 I CB 0.197 38.114 38.000 -0.139 0.000 1.339 359 I HN 0.259 nan 8.210 nan 0.000 0.583 360 R N 4.418 124.956 120.500 0.065 0.000 2.837 360 R HA 0.472 4.814 4.340 0.003 0.000 0.271 360 R C -0.442 175.985 176.300 0.210 0.000 0.993 360 R CA -0.813 55.358 56.100 0.118 0.000 0.931 360 R CB 1.707 32.021 30.300 0.024 0.000 1.206 360 R HN 0.776 nan 8.270 nan 0.000 0.474 361 G N 0.921 109.811 108.800 0.150 0.000 2.483 361 G HA2 0.356 4.318 3.960 0.003 0.000 0.248 361 G HA3 0.356 4.318 3.960 0.003 0.000 0.248 361 G C -1.100 173.700 174.900 -0.167 0.000 1.248 361 G CA -0.235 44.770 45.100 -0.158 0.000 0.838 361 G HN 0.267 nan 8.290 nan 0.000 0.566 362 L N 0.676 121.739 121.223 -0.267 0.000 2.316 362 L HA 0.472 4.814 4.340 0.003 0.000 0.280 362 L C 0.612 177.410 176.870 -0.120 0.000 1.006 362 L CA -0.306 54.462 54.840 -0.120 0.000 0.836 362 L CB 1.439 43.475 42.059 -0.038 0.000 1.221 362 L HN 0.710 nan 8.230 nan 0.000 0.418 363 E N 3.554 123.709 120.200 -0.075 0.000 2.498 363 E HA 0.111 4.463 4.350 0.003 0.000 0.203 363 E C -0.541 176.055 176.600 -0.007 0.000 1.013 363 E CA 0.074 56.442 56.400 -0.054 0.000 0.927 363 E CB 0.710 30.376 29.700 -0.056 0.000 1.012 363 E HN 0.771 nan 8.360 nan 0.000 0.482 364 E N -0.063 120.147 120.200 0.016 0.000 2.429 364 E HA 0.542 4.894 4.350 0.003 0.000 0.276 364 E C -1.263 175.400 176.600 0.105 0.000 0.953 364 E CA -0.957 55.468 56.400 0.043 0.000 0.787 364 E CB 1.820 31.519 29.700 -0.002 0.000 1.307 364 E HN -0.103 nan 8.360 nan 0.000 0.458 365 F N 1.425 121.359 119.950 -0.026 0.000 2.596 365 F HA 0.424 4.953 4.527 0.003 0.000 0.311 365 F C -2.489 173.300 175.800 -0.018 0.000 1.116 365 F CA -1.509 56.478 58.000 -0.022 0.000 0.957 365 F CB 1.783 40.773 39.000 -0.017 0.000 1.250 365 F HN 0.462 nan 8.300 nan 0.000 0.444 366 P HA 0.358 nan 4.420 nan 0.000 0.274 366 P C -2.937 173.965 177.300 -0.664 0.000 1.256 366 P CA -1.300 61.053 63.100 -1.246 0.000 0.795 366 P CB 0.085 31.325 31.700 -0.767 0.000 1.038 367 P HA 0.214 nan 4.420 nan 0.000 0.271 367 P C -0.213 176.929 177.300 -0.262 0.000 1.218 367 P CA 0.181 63.093 63.100 -0.313 0.000 0.780 367 P CB 0.507 32.059 31.700 -0.246 0.000 0.901 368 K N 0.690 120.982 120.400 -0.180 0.000 2.211 368 K HA 0.656 4.978 4.320 0.003 0.000 0.237 368 K C -0.135 176.382 176.600 -0.138 0.000 1.002 368 K CA -0.722 55.477 56.287 -0.147 0.000 0.885 368 K CB 1.398 33.843 32.500 -0.092 0.000 1.136 368 K HN 0.331 nan 8.250 nan 0.000 0.448 369 S N 0.260 115.899 115.700 -0.102 0.000 2.526 369 S HA 0.300 4.772 4.470 0.003 0.000 0.293 369 S C -0.359 174.258 174.600 0.029 0.000 1.092 369 S CA -0.762 57.415 58.200 -0.038 0.000 0.980 369 S CB 0.799 63.981 63.200 -0.030 0.000 1.048 369 S HN 0.555 nan 8.310 nan 0.000 0.483 370 N N 2.842 121.579 118.700 0.061 0.000 2.270 370 N HA 0.262 5.004 4.740 0.003 0.000 0.198 370 N C -0.278 175.290 175.510 0.097 0.000 1.117 370 N CA 0.083 53.172 53.050 0.065 0.000 0.845 370 N CB -0.012 38.509 38.487 0.056 0.000 0.980 370 N HN 0.553 nan 8.380 nan 0.000 0.486 371 L N 0.516 121.817 121.223 0.130 0.000 2.395 371 L HA 0.162 4.504 4.340 0.003 0.000 0.269 371 L C 0.631 177.635 176.870 0.224 0.000 1.133 371 L CA -0.653 54.295 54.840 0.180 0.000 0.812 371 L CB 0.575 42.707 42.059 0.122 0.000 1.125 371 L HN -0.097 nan 8.230 nan 0.000 0.452 372 D N 4.124 124.685 120.400 0.268 0.000 2.363 372 D HA 0.033 4.675 4.640 0.003 0.000 0.263 372 D C -1.405 175.001 176.300 0.176 0.000 1.258 372 D CA -1.681 52.420 54.000 0.168 0.000 0.907 372 D CB 1.134 41.982 40.800 0.081 0.000 1.107 372 D HN 0.229 nan 8.370 nan 0.000 0.495 373 P HA -0.112 nan 4.420 nan 0.000 0.223 373 P C 0.939 178.274 177.300 0.058 0.000 1.151 373 P CA 0.582 63.754 63.100 0.120 0.000 0.787 373 P CB 0.219 31.973 31.700 0.090 0.000 0.788 374 A N -0.230 122.599 122.820 0.016 0.000 2.015 374 A HA -0.092 4.230 4.320 0.003 0.000 0.219 374 A C 2.238 179.771 177.584 -0.085 0.000 1.163 374 A CA 1.104 53.127 52.037 -0.023 0.000 0.646 374 A CB -1.202 17.782 19.000 -0.027 0.000 0.806 374 A HN 0.175 nan 8.150 nan 0.000 0.448 375 I N -3.037 117.426 120.570 -0.179 0.000 2.628 375 I HA -0.051 4.121 4.170 0.003 0.000 0.255 375 I C 1.523 177.355 176.117 -0.474 0.000 1.119 375 I CA 0.825 61.872 61.300 -0.423 0.000 1.448 375 I CB 0.017 37.553 38.000 -0.772 0.000 1.133 375 I HN 0.345 nan 8.210 nan 0.000 0.438 376 Y N 1.094 121.411 120.300 0.028 0.000 2.458 376 Y HA 0.477 5.029 4.550 0.003 0.000 0.256 376 Y C 1.169 177.124 175.900 0.091 0.000 1.159 376 Y CA 0.028 58.151 58.100 0.039 0.000 1.261 376 Y CB 0.017 38.498 38.460 0.035 0.000 1.119 376 Y HN 0.162 nan 8.280 nan 0.000 0.524 377 G N 0.581 109.492 108.800 0.184 0.000 2.707 377 G HA2 -0.228 3.734 3.960 0.003 0.000 0.686 377 G HA3 -0.228 3.734 3.960 0.003 0.000 0.686 377 G C -1.086 173.913 174.900 0.165 0.000 1.315 377 G CA -0.728 44.473 45.100 0.169 0.000 0.832 377 G HN 0.133 nan 8.290 nan 0.000 0.573 378 D N 0.205 120.673 120.400 0.114 0.000 2.581 378 D HA 0.113 4.755 4.640 0.003 0.000 0.238 378 D C 1.440 177.813 176.300 0.121 0.000 1.145 378 D CA 0.352 54.407 54.000 0.091 0.000 0.866 378 D CB 0.641 41.472 40.800 0.053 0.000 1.151 378 D HN 0.359 nan 8.370 nan 0.000 0.500 379 Q N 1.921 121.790 119.800 0.116 0.000 2.246 379 Q HA 0.085 4.427 4.340 0.003 0.000 0.202 379 Q C 0.034 176.048 176.000 0.023 0.000 0.883 379 Q CA -0.046 55.834 55.803 0.129 0.000 0.952 379 Q CB 0.125 28.963 28.738 0.165 0.000 1.078 379 Q HN 0.330 nan 8.270 nan 0.000 0.493 380 S N 1.079 116.785 115.700 0.010 0.000 2.549 380 S HA 0.055 4.526 4.470 0.003 0.000 0.286 380 S C 0.364 174.930 174.600 -0.057 0.000 1.314 380 S CA -0.042 58.135 58.200 -0.039 0.000 1.062 380 S CB 0.905 64.092 63.200 -0.021 0.000 0.865 380 S HN 0.231 nan 8.310 nan 0.000 0.498 381 S N 1.615 117.243 115.700 -0.120 0.000 2.564 381 S HA 0.140 4.611 4.470 0.003 0.000 0.278 381 S C 0.837 175.403 174.600 -0.058 0.000 1.333 381 S CA -0.449 57.678 58.200 -0.121 0.000 1.048 381 S CB 0.258 63.323 63.200 -0.225 0.000 0.900 381 S HN 0.551 nan 8.310 nan 0.000 0.505 382 K N 3.320 123.714 120.400 -0.011 0.000 2.374 382 K HA 0.273 4.595 4.320 0.003 0.000 0.196 382 K C -0.028 176.601 176.600 0.048 0.000 1.023 382 K CA 0.094 56.393 56.287 0.020 0.000 1.103 382 K CB -0.178 32.342 32.500 0.034 0.000 0.848 382 K HN 0.632 nan 8.250 nan 0.000 0.528 383 I N 2.745 123.349 120.570 0.057 0.000 2.471 383 I HA -0.029 4.142 4.170 0.003 0.000 0.286 383 I C 0.762 177.027 176.117 0.246 0.000 1.079 383 I CA -0.070 61.324 61.300 0.157 0.000 1.398 383 I CB 0.661 38.803 38.000 0.235 0.000 1.403 383 I HN -0.022 nan 8.210 nan 0.000 0.530 384 T N 2.560 117.234 114.554 0.200 0.000 2.875 384 T HA 0.517 4.868 4.350 0.003 0.000 0.284 384 T C 0.966 175.747 174.700 0.136 0.000 0.995 384 T CA -0.473 61.741 62.100 0.191 0.000 1.060 384 T CB 2.007 70.927 68.868 0.086 0.000 0.967 384 T HN 0.640 nan 8.240 nan 0.000 0.476 385 A N 2.297 125.165 122.820 0.079 0.000 1.902 385 A HA -0.065 4.257 4.320 0.003 0.000 0.217 385 A C 1.953 179.441 177.584 -0.159 0.000 1.181 385 A CA 1.433 53.323 52.037 -0.246 0.000 0.623 385 A CB -0.853 17.994 19.000 -0.256 0.000 0.818 385 A HN 0.894 nan 8.150 nan 0.000 0.443 386 D N 0.201 120.557 120.400 -0.073 0.000 2.311 386 D HA -0.116 4.525 4.640 0.003 0.000 0.212 386 D C 2.141 178.401 176.300 -0.067 0.000 0.972 386 D CA 1.534 55.494 54.000 -0.067 0.000 0.887 386 D CB -0.261 40.517 40.800 -0.036 0.000 0.915 386 D HN 0.618 nan 8.370 nan 0.000 0.497 387 S N -0.420 115.248 115.700 -0.053 0.000 2.562 387 S HA 0.027 4.499 4.470 0.003 0.000 0.221 387 S C 0.946 175.499 174.600 -0.079 0.000 0.975 387 S CA -0.230 57.941 58.200 -0.050 0.000 0.918 387 S CB -0.179 63.013 63.200 -0.015 0.000 0.772 387 S HN 0.100 nan 8.310 nan 0.000 0.531 388 L N 2.044 123.199 121.223 -0.114 0.000 2.334 388 L HA 0.483 4.825 4.340 0.003 0.000 0.277 388 L C -0.165 176.604 176.870 -0.170 0.000 1.075 388 L CA -0.675 54.080 54.840 -0.141 0.000 0.804 388 L CB 0.647 42.599 42.059 -0.180 0.000 1.174 388 L HN 0.075 nan 8.230 nan 0.000 0.438 389 D N 3.810 124.107 120.400 -0.172 0.000 2.456 389 D HA 0.241 4.883 4.640 0.003 0.000 0.219 389 D C -0.079 176.050 176.300 -0.286 0.000 1.126 389 D CA -0.174 53.713 54.000 -0.187 0.000 0.890 389 D CB 0.833 41.544 40.800 -0.147 0.000 1.025 389 D HN 0.392 nan 8.370 nan 0.000 0.511 390 L N 3.062 124.035 121.223 -0.418 0.000 3.073 390 L HA 0.196 4.538 4.340 0.003 0.000 0.242 390 L C 0.047 176.472 176.870 -0.742 0.000 1.317 390 L CA -0.440 53.837 54.840 -0.938 0.000 1.081 390 L CB -0.111 41.376 42.059 -0.954 0.000 1.456 390 L HN 0.211 nan 8.230 nan 0.000 0.525 391 D N 1.556 121.773 120.400 -0.305 0.000 2.751 391 D HA -0.219 4.423 4.640 0.003 0.000 0.233 391 D C 1.350 177.686 176.300 0.059 0.000 1.149 391 D CA 1.355 55.331 54.000 -0.040 0.000 0.682 391 D CB -0.996 39.886 40.800 0.135 0.000 1.068 391 D HN 0.782 nan 8.370 nan 0.000 0.429 392 G N -1.833 106.951 108.800 -0.027 0.000 2.217 392 G HA2 -0.370 3.591 3.960 0.003 0.000 0.246 392 G HA3 -0.370 3.591 3.960 0.003 0.000 0.246 392 G C 0.195 175.069 174.900 -0.042 0.000 0.990 392 G CA 0.180 45.264 45.100 -0.027 0.000 0.627 392 G HN 0.409 nan 8.290 nan 0.000 0.522 393 Y N 2.374 122.574 120.300 -0.167 0.000 2.336 393 Y HA 0.485 5.036 4.550 0.001 0.000 0.331 393 Y C 1.626 177.438 175.900 -0.147 0.000 1.211 393 Y CA 0.415 58.445 58.100 -0.116 0.000 1.346 393 Y CB 0.856 39.267 38.460 -0.080 0.000 1.271 393 Y HN 0.303 nan 8.280 nan 0.000 0.538 394 T N -0.605 113.962 114.554 0.022 0.000 2.847 394 T HA 0.177 4.528 4.350 0.003 0.000 0.279 394 T C 1.119 175.809 174.700 -0.017 0.000 0.984 394 T CA -0.849 61.234 62.100 -0.028 0.000 0.988 394 T CB 0.828 69.676 68.868 -0.033 0.000 1.040 394 T HN 0.709 nan 8.240 nan 0.000 0.528 395 M N 0.916 120.468 119.600 -0.081 0.000 2.080 395 M HA -0.073 4.408 4.480 0.003 0.000 0.260 395 M C 1.446 177.732 176.300 -0.024 0.000 1.068 395 M CA 1.752 56.983 55.300 -0.114 0.000 1.109 395 M CB -1.352 31.125 32.600 -0.204 0.000 1.342 395 M HN 0.711 nan 8.290 nan 0.000 0.405 396 D N 0.090 120.488 120.400 -0.003 0.000 2.149 396 D HA -0.166 4.475 4.640 0.003 0.000 0.198 396 D C 1.936 178.268 176.300 0.053 0.000 0.990 396 D CA 1.564 55.578 54.000 0.022 0.000 0.839 396 D CB -0.273 40.536 40.800 0.015 0.000 0.948 396 D HN 0.597 nan 8.370 nan 0.000 0.460 397 E N 0.669 120.918 120.200 0.082 0.000 2.072 397 E HA -0.091 4.261 4.350 0.003 0.000 0.191 397 E C 2.150 178.900 176.600 0.251 0.000 0.985 397 E CA 0.926 57.423 56.400 0.161 0.000 0.801 397 E CB -0.042 29.759 29.700 0.169 0.000 0.750 397 E HN 0.182 nan 8.360 nan 0.000 0.452 398 A N 1.406 124.376 122.820 0.249 0.000 1.877 398 A HA -0.167 4.155 4.320 0.003 0.000 0.216 398 A C 2.225 179.858 177.584 0.082 0.000 1.186 398 A CA 1.100 53.267 52.037 0.217 0.000 0.620 398 A CB -0.686 18.436 19.000 0.205 0.000 0.822 398 A HN 0.115 nan 8.150 nan 0.000 0.443 399 L N -0.806 120.445 121.223 0.047 0.000 2.017 399 L HA -0.135 4.207 4.340 0.003 0.000 0.208 399 L C 2.861 179.729 176.870 -0.003 0.000 1.073 399 L CA 1.256 56.097 54.840 0.002 0.000 0.745 399 L CB -0.846 41.225 42.059 0.020 0.000 0.894 399 L HN 0.497 nan 8.230 nan 0.000 0.432 400 G N -0.666 108.151 108.800 0.029 0.000 2.432 400 G HA2 -0.245 3.717 3.960 0.003 0.000 0.219 400 G HA3 -0.245 3.717 3.960 0.003 0.000 0.219 400 G C 1.608 176.525 174.900 0.029 0.000 1.135 400 G CA 0.913 46.029 45.100 0.026 0.000 0.767 400 G HN 0.503 nan 8.290 nan 0.000 0.550 401 S N -0.205 115.527 115.700 0.054 0.000 2.650 401 S HA 0.159 4.631 4.470 0.003 0.000 0.219 401 S C 1.001 175.601 174.600 -0.000 0.000 0.960 401 S CA -0.014 58.219 58.200 0.055 0.000 0.925 401 S CB 0.098 63.375 63.200 0.129 0.000 0.775 401 S HN 0.240 nan 8.310 nan 0.000 0.525 402 R N 0.623 121.095 120.500 -0.047 0.000 3.336 402 R HA -0.132 4.210 4.340 0.003 0.000 0.260 402 R C 0.009 176.216 176.300 -0.154 0.000 1.032 402 R CA 0.599 56.622 56.100 -0.128 0.000 0.693 402 R CB -2.524 27.742 30.300 -0.056 0.000 1.134 402 R HN 0.637 nan 8.270 nan 0.000 0.433 403 R N -0.526 119.869 120.500 -0.175 0.000 2.397 403 R HA 0.210 4.552 4.340 0.003 0.000 0.241 403 R C 0.282 176.469 176.300 -0.188 0.000 0.914 403 R CA -0.367 55.616 56.100 -0.194 0.000 1.071 403 R CB 0.474 30.507 30.300 -0.445 0.000 1.116 403 R HN -0.056 nan 8.270 nan 0.000 0.524 404 L N 0.989 122.006 121.223 -0.343 0.000 2.282 404 L HA 0.471 4.813 4.340 0.003 0.000 0.288 404 L C -1.009 175.475 176.870 -0.643 0.000 1.033 404 L CA -0.167 54.538 54.840 -0.226 0.000 0.807 404 L CB 0.764 42.785 42.059 -0.063 0.000 1.209 404 L HN -0.181 nan 8.230 nan 0.000 0.423 405 F N 4.069 124.023 119.950 0.008 0.000 2.664 405 F HA 0.775 5.303 4.527 0.002 0.000 0.329 405 F C -0.049 175.752 175.800 0.001 0.000 1.090 405 F CA -0.804 57.184 58.000 -0.020 0.000 0.978 405 F CB 1.832 40.787 39.000 -0.076 0.000 1.378 405 F HN 0.398 nan 8.300 nan 0.000 0.495 406 M N 1.318 121.016 119.600 0.163 0.000 2.534 406 M HA 0.634 5.116 4.480 0.003 0.000 0.280 406 M C -2.381 173.906 176.300 -0.022 0.000 1.217 406 M CA -0.876 54.464 55.300 0.067 0.000 0.893 406 M CB 2.506 35.128 32.600 0.037 0.000 1.730 406 M HN 0.444 nan 8.290 nan 0.000 0.483 407 L N 2.626 123.805 121.223 -0.073 0.000 2.283 407 L HA 0.539 4.880 4.340 0.003 0.000 0.281 407 L C -1.313 175.389 176.870 -0.280 0.000 1.033 407 L CA 0.407 55.117 54.840 -0.217 0.000 0.848 407 L CB 0.776 42.731 42.059 -0.174 0.000 1.226 407 L HN 0.766 nan 8.230 nan 0.000 0.429 408 D N 3.308 123.484 120.400 -0.372 0.000 2.443 408 D HA 0.191 4.833 4.640 0.003 0.000 0.221 408 D C -0.457 175.627 176.300 -0.360 0.000 1.097 408 D CA 0.027 53.870 54.000 -0.262 0.000 0.865 408 D CB 0.484 41.206 40.800 -0.129 0.000 1.034 408 D HN 0.420 nan 8.370 nan 0.000 0.511 409 Y N 2.179 122.524 120.300 0.075 0.000 2.584 409 Y HA 0.098 4.650 4.550 0.003 0.000 0.254 409 Y C 1.830 177.855 175.900 0.209 0.000 1.177 409 Y CA -0.385 57.803 58.100 0.146 0.000 1.216 409 Y CB -0.178 38.347 38.460 0.109 0.000 1.172 409 Y HN 0.622 nan 8.280 nan 0.000 0.529 410 H N 0.603 119.774 119.070 0.169 0.000 2.276 410 H HA -0.129 4.429 4.556 0.003 0.000 0.301 410 H C 0.763 176.156 175.328 0.109 0.000 1.073 410 H CA 2.311 58.434 56.048 0.125 0.000 1.311 410 H CB 0.164 29.958 29.762 0.053 0.000 1.379 410 H HN 0.234 nan 8.280 nan 0.000 0.494 411 D N 0.342 120.899 120.400 0.262 0.000 2.178 411 D HA -0.054 4.588 4.640 0.003 0.000 0.202 411 D C 2.560 178.924 176.300 0.108 0.000 0.974 411 D CA 0.706 54.793 54.000 0.145 0.000 0.841 411 D CB -0.156 40.741 40.800 0.162 0.000 0.953 411 D HN 0.431 nan 8.370 nan 0.000 0.478 412 I N -0.469 120.222 120.570 0.202 0.000 2.179 412 I HA -0.246 3.926 4.170 0.003 0.000 0.242 412 I C 1.727 177.936 176.117 0.154 0.000 1.088 412 I CA 0.964 62.400 61.300 0.227 0.000 1.357 412 I CB -0.090 38.134 38.000 0.372 0.000 1.051 412 I HN -0.075 nan 8.210 nan 0.000 0.409 413 F N -0.671 119.355 119.950 0.127 0.000 2.473 413 F HA -0.048 4.481 4.527 0.003 0.000 0.294 413 F C 2.307 178.109 175.800 0.004 0.000 1.103 413 F CA 0.534 58.592 58.000 0.097 0.000 1.442 413 F CB -0.282 38.770 39.000 0.086 0.000 1.097 413 F HN -0.023 nan 8.300 nan 0.000 0.547 414 M N 1.417 121.013 119.600 -0.008 0.000 2.108 414 M HA -0.159 4.322 4.480 0.003 0.000 0.257 414 M C -1.099 175.034 176.300 -0.279 0.000 1.071 414 M CA 2.241 57.382 55.300 -0.265 0.000 1.093 414 M CB -1.686 30.540 32.600 -0.623 0.000 1.345 414 M HN -0.182 nan 8.290 nan 0.000 0.403 415 P HA -0.127 nan 4.420 nan 0.000 0.223 415 P C 0.433 177.613 177.300 -0.201 0.000 1.144 415 P CA 1.409 64.436 63.100 -0.122 0.000 0.783 415 P CB -0.189 31.469 31.700 -0.069 0.000 0.771 416 Y N -2.712 117.551 120.300 -0.063 0.000 2.481 416 Y HA 0.068 4.620 4.550 0.003 0.000 0.247 416 Y C 2.047 177.915 175.900 -0.053 0.000 1.151 416 Y CA -0.050 57.993 58.100 -0.096 0.000 1.238 416 Y CB -0.235 38.145 38.460 -0.133 0.000 1.179 416 Y HN -0.299 nan 8.280 nan 0.000 0.524 417 V N 0.412 120.390 119.914 0.107 0.000 2.287 417 V HA -0.334 3.787 4.120 0.003 0.000 0.248 417 V C 2.529 178.630 176.094 0.012 0.000 1.053 417 V CA 2.315 64.660 62.300 0.075 0.000 1.027 417 V CB -0.428 31.412 31.823 0.028 0.000 0.646 417 V HN 0.343 nan 8.190 nan 0.000 0.447 418 R N 0.389 120.882 120.500 -0.011 0.000 2.073 418 R HA -0.235 4.107 4.340 0.003 0.000 0.234 418 R C 2.530 178.807 176.300 -0.038 0.000 1.134 418 R CA 2.143 58.225 56.100 -0.030 0.000 0.952 418 R CB -0.302 29.982 30.300 -0.025 0.000 0.850 418 R HN 0.800 nan 8.270 nan 0.000 0.433 419 Q N -0.151 119.593 119.800 -0.093 0.000 2.167 419 Q HA -0.132 4.210 4.340 0.003 0.000 0.202 419 Q C 2.083 178.080 176.000 -0.005 0.000 0.970 419 Q CA 1.375 57.098 55.803 -0.134 0.000 0.855 419 Q CB -0.261 28.213 28.738 -0.440 0.000 0.911 419 Q HN 0.435 nan 8.270 nan 0.000 0.438 420 I N 1.760 122.347 120.570 0.029 0.000 2.252 420 I HA -0.224 3.947 4.170 0.003 0.000 0.245 420 I C 1.435 177.619 176.117 0.111 0.000 1.102 420 I CA 0.982 62.379 61.300 0.161 0.000 1.385 420 I CB -0.305 37.802 38.000 0.178 0.000 1.064 420 I HN 0.228 nan 8.210 nan 0.000 0.414 421 N N 0.447 119.175 118.700 0.047 0.000 2.520 421 N HA -0.142 4.600 4.740 0.003 0.000 0.185 421 N C 1.625 177.148 175.510 0.022 0.000 1.068 421 N CA 0.695 53.751 53.050 0.010 0.000 0.911 421 N CB -0.153 38.306 38.487 -0.046 0.000 0.961 421 N HN 0.338 nan 8.380 nan 0.000 0.446 422 Q N 0.057 119.884 119.800 0.045 0.000 2.432 422 Q HA 0.126 4.468 4.340 0.003 0.000 0.205 422 Q C 0.267 176.307 176.000 0.067 0.000 0.945 422 Q CA 0.105 55.938 55.803 0.049 0.000 0.924 422 Q CB 0.200 28.972 28.738 0.058 0.000 1.016 422 Q HN 0.425 nan 8.270 nan 0.000 0.503 423 L N 1.220 122.496 121.223 0.089 0.000 2.436 423 L HA 0.063 4.405 4.340 0.003 0.000 0.265 423 L C 1.622 178.518 176.870 0.043 0.000 1.168 423 L CA -0.446 54.441 54.840 0.078 0.000 0.815 423 L CB 0.244 42.364 42.059 0.101 0.000 1.109 423 L HN 0.012 nan 8.230 nan 0.000 0.462 424 N N 0.317 119.034 118.700 0.028 0.000 2.069 424 N HA -0.130 4.611 4.740 0.003 0.000 0.191 424 N C 0.712 176.228 175.510 0.011 0.000 1.031 424 N CA 1.370 54.429 53.050 0.016 0.000 0.852 424 N CB 0.116 38.608 38.487 0.008 0.000 1.018 424 N HN 0.460 nan 8.380 nan 0.000 0.423 425 S N -0.261 115.444 115.700 0.008 0.000 2.457 425 S HA 0.549 5.021 4.470 0.003 0.000 0.237 425 S C -0.733 173.872 174.600 0.008 0.000 1.213 425 S CA -0.535 57.666 58.200 0.002 0.000 1.218 425 S CB 0.261 63.453 63.200 -0.013 0.000 0.922 425 S HN 0.379 nan 8.310 nan 0.000 0.488 426 A N 1.931 124.764 122.820 0.022 0.000 2.427 426 A HA 0.831 5.153 4.320 0.003 0.000 0.298 426 A C -1.097 176.502 177.584 0.025 0.000 1.036 426 A CA -0.727 51.330 52.037 0.034 0.000 0.701 426 A CB 1.239 20.277 19.000 0.063 0.000 1.250 426 A HN 0.133 nan 8.150 nan 0.000 0.412 427 K N 1.158 121.570 120.400 0.019 0.000 2.553 427 K HA 0.688 5.010 4.320 0.003 0.000 0.250 427 K C -1.072 175.508 176.600 -0.034 0.000 0.953 427 K CA -0.290 55.975 56.287 -0.036 0.000 0.800 427 K CB 1.924 34.391 32.500 -0.055 0.000 1.243 427 K HN 0.798 nan 8.250 nan 0.000 0.435 428 T N 1.017 115.498 114.554 -0.121 0.000 2.838 428 T HA 0.749 5.101 4.350 0.003 0.000 0.292 428 T C -1.541 172.975 174.700 -0.307 0.000 1.113 428 T CA -0.414 61.629 62.100 -0.096 0.000 1.008 428 T CB 0.840 69.733 68.868 0.042 0.000 1.259 428 T HN 0.342 nan 8.240 nan 0.000 0.520 429 Y N -0.013 120.212 120.300 -0.125 0.000 2.570 429 Y HA 0.695 5.247 4.550 0.003 0.000 0.345 429 Y C 0.299 176.143 175.900 -0.094 0.000 1.014 429 Y CA -1.113 56.909 58.100 -0.131 0.000 1.063 429 Y CB 1.959 40.301 38.460 -0.198 0.000 1.272 429 Y HN 0.779 nan 8.280 nan 0.000 0.477 430 A N 1.673 124.575 122.820 0.136 0.000 2.316 430 A HA 0.508 4.830 4.320 0.003 0.000 0.311 430 A C 0.087 177.743 177.584 0.119 0.000 1.339 430 A CA -0.367 51.726 52.037 0.093 0.000 0.960 430 A CB -0.723 18.264 19.000 -0.023 0.000 1.152 430 A HN 0.680 nan 8.150 nan 0.000 0.547 431 T N 0.523 115.144 114.554 0.113 0.000 2.934 431 T HA 0.701 5.053 4.350 0.003 0.000 0.283 431 T C -0.159 174.655 174.700 0.189 0.000 1.005 431 T CA -0.763 61.423 62.100 0.143 0.000 1.041 431 T CB 1.258 70.201 68.868 0.125 0.000 1.042 431 T HN 0.719 nan 8.240 nan 0.000 0.505 432 R N 0.916 121.505 120.500 0.148 0.000 2.533 432 R HA 0.478 4.820 4.340 0.003 0.000 0.288 432 R C -1.508 174.866 176.300 0.124 0.000 1.039 432 R CA -0.491 55.676 56.100 0.112 0.000 0.909 432 R CB 1.999 32.355 30.300 0.094 0.000 1.195 432 R HN 0.838 nan 8.270 nan 0.000 0.438 433 T N 5.394 120.018 114.554 0.116 0.000 2.792 433 T HA 0.435 4.786 4.350 0.003 0.000 0.280 433 T C -0.197 174.601 174.700 0.164 0.000 0.990 433 T CA -0.613 61.595 62.100 0.181 0.000 0.960 433 T CB 0.871 69.864 68.868 0.209 0.000 0.939 433 T HN 0.301 nan 8.240 nan 0.000 0.439 434 I N 4.191 124.890 120.570 0.216 0.000 2.365 434 I HA 0.452 4.624 4.170 0.003 0.000 0.291 434 I C -0.115 176.137 176.117 0.226 0.000 1.004 434 I CA -0.899 60.527 61.300 0.210 0.000 1.311 434 I CB 0.798 38.942 38.000 0.239 0.000 1.401 434 I HN 0.510 nan 8.210 nan 0.000 0.491 435 L N 6.108 127.459 121.223 0.214 0.000 2.354 435 L HA 0.527 4.869 4.340 0.003 0.000 0.269 435 L C -0.795 176.245 176.870 0.283 0.000 1.005 435 L CA -0.629 54.344 54.840 0.221 0.000 0.819 435 L CB 2.309 44.455 42.059 0.145 0.000 1.311 435 L HN 0.358 nan 8.230 nan 0.000 0.423 436 F N 2.843 122.848 119.950 0.091 0.000 2.507 436 F HA 0.588 5.117 4.527 0.002 0.000 0.325 436 F C -0.923 174.902 175.800 0.041 0.000 1.116 436 F CA -1.031 56.999 58.000 0.050 0.000 0.930 436 F CB 1.621 40.606 39.000 -0.025 0.000 1.146 436 F HN 0.265 nan 8.300 nan 0.000 0.447 437 L N 7.539 128.324 121.223 -0.729 0.000 2.295 437 L HA 0.454 4.796 4.340 0.003 0.000 0.288 437 L C -0.111 176.172 176.870 -0.978 0.000 1.079 437 L CA -0.027 54.460 54.840 -0.589 0.000 0.830 437 L CB 0.062 41.952 42.059 -0.283 0.000 1.200 437 L HN 0.645 nan 8.230 nan 0.000 0.438 438 R N 3.416 123.622 120.500 -0.490 0.000 2.774 438 R HA 0.094 4.436 4.340 0.003 0.000 0.269 438 R C 0.835 177.035 176.300 -0.167 0.000 1.068 438 R CA -0.299 55.669 56.100 -0.220 0.000 1.180 438 R CB 0.393 30.707 30.300 0.023 0.000 1.077 438 R HN 0.636 nan 8.270 nan 0.000 0.513 439 E N 1.074 121.264 120.200 -0.017 0.000 2.204 439 E HA -0.196 4.156 4.350 0.003 0.000 0.195 439 E C 0.843 177.446 176.600 0.005 0.000 0.990 439 E CA 1.416 57.828 56.400 0.019 0.000 0.821 439 E CB -0.025 29.748 29.700 0.121 0.000 0.750 439 E HN 0.591 nan 8.360 nan 0.000 0.477 440 D N -0.678 119.726 120.400 0.006 0.000 2.363 440 D HA -0.010 4.632 4.640 0.003 0.000 0.226 440 D C 1.277 177.564 176.300 -0.022 0.000 1.020 440 D CA 0.797 54.799 54.000 0.003 0.000 0.892 440 D CB 0.141 40.950 40.800 0.015 0.000 0.900 440 D HN 0.201 nan 8.370 nan 0.000 0.531 441 G N -0.207 108.559 108.800 -0.056 0.000 2.176 441 G HA2 -0.262 3.700 3.960 0.003 0.000 0.253 441 G HA3 -0.262 3.700 3.960 0.003 0.000 0.253 441 G C 0.485 175.325 174.900 -0.099 0.000 0.979 441 G CA 0.556 45.609 45.100 -0.078 0.000 0.641 441 G HN 0.817 nan 8.290 nan 0.000 0.530 442 T N -0.828 113.677 114.554 -0.082 0.000 2.934 442 T HA 0.750 5.102 4.350 0.003 0.000 0.283 442 T C 0.360 174.994 174.700 -0.109 0.000 1.005 442 T CA -0.844 61.207 62.100 -0.081 0.000 1.041 442 T CB 2.257 71.107 68.868 -0.031 0.000 1.042 442 T HN 0.458 nan 8.240 nan 0.000 0.505 443 L N 1.702 122.857 121.223 -0.113 0.000 2.334 443 L HA 0.569 4.911 4.340 0.003 0.000 0.277 443 L C 0.288 177.163 176.870 0.008 0.000 1.075 443 L CA -0.839 53.941 54.840 -0.101 0.000 0.804 443 L CB 1.275 43.233 42.059 -0.167 0.000 1.174 443 L HN 0.842 nan 8.230 nan 0.000 0.438 444 K N 3.326 123.775 120.400 0.082 0.000 2.443 444 K HA 0.579 4.901 4.320 0.003 0.000 0.252 444 K C -2.898 173.832 176.600 0.217 0.000 0.933 444 K CA -1.830 54.550 56.287 0.155 0.000 0.792 444 K CB 2.244 34.840 32.500 0.160 0.000 1.185 444 K HN 0.120 nan 8.250 nan 0.000 0.425 445 P HA -0.012 nan 4.420 nan 0.000 0.281 445 P C 0.474 177.958 177.300 0.307 0.000 1.252 445 P CA -0.533 62.816 63.100 0.415 0.000 0.778 445 P CB 1.429 33.574 31.700 0.742 0.000 0.895 446 V N -0.011 120.055 119.914 0.253 0.000 3.604 446 V HA 0.723 4.845 4.120 0.003 0.000 0.277 446 V C 0.380 176.528 176.094 0.089 0.000 1.399 446 V CA 0.261 62.617 62.300 0.092 0.000 1.034 446 V CB -0.245 31.606 31.823 0.047 0.000 0.824 446 V HN 0.697 nan 8.190 nan 0.000 0.439 447 A N -0.037 122.949 122.820 0.276 0.000 2.590 447 A HA 0.807 5.129 4.320 0.003 0.000 0.294 447 A C -1.571 176.254 177.584 0.401 0.000 1.046 447 A CA -0.422 51.799 52.037 0.306 0.000 0.684 447 A CB 1.229 20.345 19.000 0.193 0.000 1.279 447 A HN 0.275 nan 8.150 nan 0.000 0.415 448 I N 0.975 121.777 120.570 0.386 0.000 2.534 448 I HA 0.395 4.566 4.170 0.003 0.000 0.288 448 I C -0.402 175.802 176.117 0.145 0.000 1.077 448 I CA -0.222 61.222 61.300 0.240 0.000 1.051 448 I CB 2.205 40.282 38.000 0.129 0.000 1.234 448 I HN 0.848 nan 8.210 nan 0.000 0.425 449 E N 7.194 127.455 120.200 0.101 0.000 2.151 449 E HA 0.522 4.874 4.350 0.003 0.000 0.275 449 E C -1.509 175.092 176.600 0.001 0.000 0.936 449 E CA -0.596 55.839 56.400 0.057 0.000 0.777 449 E CB 1.287 31.033 29.700 0.077 0.000 1.108 449 E HN 0.511 nan 8.360 nan 0.000 0.401 450 L N 4.009 125.155 121.223 -0.129 0.000 2.313 450 L HA 0.365 4.707 4.340 0.003 0.000 0.273 450 L C -0.517 176.286 176.870 -0.111 0.000 1.028 450 L CA -0.568 54.052 54.840 -0.367 0.000 0.871 450 L CB 1.376 42.763 42.059 -1.120 0.000 1.242 450 L HN 0.436 nan 8.230 nan 0.000 0.434 451 S N 3.889 119.660 115.700 0.119 0.000 2.541 451 S HA 0.739 5.211 4.470 0.003 0.000 0.283 451 S C -0.251 174.482 174.600 0.221 0.000 1.196 451 S CA -0.520 57.802 58.200 0.204 0.000 1.062 451 S CB 1.738 65.073 63.200 0.224 0.000 1.009 451 S HN 0.356 nan 8.310 nan 0.000 0.502 452 L N 3.782 125.112 121.223 0.178 0.000 2.381 452 L HA 0.557 4.899 4.340 0.003 0.000 0.268 452 L C -2.325 174.427 176.870 -0.196 0.000 0.997 452 L CA -2.428 52.399 54.840 -0.021 0.000 0.818 452 L CB 2.490 44.508 42.059 -0.070 0.000 1.310 452 L HN 0.398 nan 8.230 nan 0.000 0.416 453 P HA 0.229 nan 4.420 nan 0.000 0.274 453 P C -1.465 175.591 177.300 -0.407 0.000 1.237 453 P CA -0.233 62.817 63.100 -0.084 0.000 0.793 453 P CB 0.922 32.689 31.700 0.112 0.000 0.977 454 H N -1.137 118.004 119.070 0.118 0.000 2.771 454 H HA 0.610 5.168 4.556 0.003 0.000 0.361 454 H C -0.609 174.746 175.328 0.045 0.000 1.108 454 H CA -0.467 55.623 56.048 0.071 0.000 1.201 454 H CB 1.865 31.667 29.762 0.067 0.000 1.681 454 H HN 0.319 nan 8.280 nan 0.000 0.534 455 S N 1.461 117.230 115.700 0.115 0.000 2.537 455 S HA 0.680 5.152 4.470 0.003 0.000 0.270 455 S C -0.886 173.742 174.600 0.046 0.000 1.142 455 S CA -0.459 57.772 58.200 0.051 0.000 0.870 455 S CB 0.904 64.101 63.200 -0.005 0.000 1.112 455 S HN 0.891 nan 8.310 nan 0.000 0.466 456 A N 1.621 124.458 122.820 0.028 0.000 2.567 456 A HA 0.470 4.791 4.320 0.003 0.000 0.240 456 A C 1.522 179.116 177.584 0.017 0.000 1.053 456 A CA 0.931 52.982 52.037 0.022 0.000 0.755 456 A CB -1.237 17.769 19.000 0.010 0.000 0.978 456 A HN 2.334 nan 8.150 nan 0.000 0.507 457 G N 1.917 110.730 108.800 0.021 0.000 2.176 457 G HA2 -0.194 3.768 3.960 0.003 0.000 0.253 457 G HA3 -0.194 3.768 3.960 0.003 0.000 0.253 457 G C -0.046 174.866 174.900 0.020 0.000 0.979 457 G CA 0.234 45.343 45.100 0.016 0.000 0.641 457 G HN 0.887 nan 8.290 nan 0.000 0.530 458 D N 0.162 120.581 120.400 0.031 0.000 2.493 458 D HA 0.245 4.887 4.640 0.003 0.000 0.240 458 D C 1.881 178.199 176.300 0.030 0.000 1.142 458 D CA 0.016 54.035 54.000 0.031 0.000 0.872 458 D CB 0.827 41.660 40.800 0.055 0.000 1.173 458 D HN 0.224 nan 8.370 nan 0.000 0.467 459 L N 1.324 122.559 121.223 0.020 0.000 2.131 459 L HA -0.058 4.284 4.340 0.003 0.000 0.206 459 L C 1.504 178.390 176.870 0.026 0.000 1.087 459 L CA 0.576 55.428 54.840 0.020 0.000 0.767 459 L CB -0.173 41.894 42.059 0.014 0.000 0.917 459 L HN 0.218 nan 8.230 nan 0.000 0.441 460 S N -0.236 115.479 115.700 0.024 0.000 2.549 460 S HA 0.320 4.791 4.470 0.003 0.000 0.279 460 S C 0.883 175.516 174.600 0.055 0.000 1.321 460 S CA 0.043 58.260 58.200 0.029 0.000 1.054 460 S CB 1.589 64.795 63.200 0.009 0.000 0.899 460 S HN 0.257 nan 8.310 nan 0.000 0.497 461 A N 4.089 126.943 122.820 0.056 0.000 2.267 461 A HA 0.592 4.913 4.320 0.003 0.000 0.213 461 A C 1.046 178.688 177.584 0.096 0.000 1.192 461 A CA 0.358 52.438 52.037 0.071 0.000 0.851 461 A CB -0.565 18.467 19.000 0.052 0.000 0.881 461 A HN 1.153 nan 8.150 nan 0.000 0.494 462 A N 0.449 123.325 122.820 0.092 0.000 2.540 462 A HA 0.459 4.781 4.320 0.003 0.000 0.239 462 A C 0.486 178.196 177.584 0.211 0.000 1.061 462 A CA 0.632 52.738 52.037 0.115 0.000 0.758 462 A CB -0.302 18.731 19.000 0.055 0.000 0.991 462 A HN 1.380 nan 8.150 nan 0.000 0.502 463 V N 0.205 120.255 119.914 0.227 0.000 3.126 463 V HA 0.793 4.914 4.120 0.003 0.000 0.314 463 V C 0.302 176.570 176.094 0.290 0.000 1.138 463 V CA -0.675 61.806 62.300 0.302 0.000 1.034 463 V CB 1.365 33.263 31.823 0.125 0.000 1.075 463 V HN 0.861 nan 8.190 nan 0.000 0.442 464 S N 1.901 117.788 115.700 0.311 0.000 2.589 464 S HA 0.522 4.993 4.470 0.003 0.000 0.265 464 S C -0.230 174.433 174.600 0.106 0.000 1.342 464 S CA -0.230 58.108 58.200 0.230 0.000 1.005 464 S CB 0.264 63.608 63.200 0.240 0.000 0.909 464 S HN 1.120 nan 8.310 nan 0.000 0.555 465 Q N -1.276 118.540 119.800 0.026 0.000 2.647 465 Q HA 0.577 4.919 4.340 0.003 0.000 0.283 465 Q C -2.225 173.769 176.000 -0.011 0.000 0.943 465 Q CA -0.949 54.860 55.803 0.010 0.000 0.813 465 Q CB 0.939 29.686 28.738 0.015 0.000 1.477 465 Q HN 0.374 nan 8.270 nan 0.000 0.393 466 V N 1.366 121.298 119.914 0.031 0.000 2.459 466 V HA 0.614 4.736 4.120 0.003 0.000 0.295 466 V C -0.514 175.632 176.094 0.087 0.000 1.029 466 V CA -0.587 61.750 62.300 0.061 0.000 0.874 466 V CB 1.646 33.514 31.823 0.075 0.000 0.985 466 V HN 0.614 nan 8.190 nan 0.000 0.438 467 V N 6.029 126.031 119.914 0.146 0.000 2.604 467 V HA 0.555 4.677 4.120 0.003 0.000 0.305 467 V C -0.283 175.998 176.094 0.312 0.000 1.043 467 V CA -0.561 61.874 62.300 0.225 0.000 0.888 467 V CB 1.827 33.813 31.823 0.271 0.000 0.995 467 V HN 0.631 nan 8.190 nan 0.000 0.429 468 L N 4.599 125.898 121.223 0.127 0.000 2.322 468 L HA 0.588 4.929 4.340 0.003 0.000 0.269 468 L C -2.454 174.028 176.870 -0.646 0.000 1.012 468 L CA -2.138 52.600 54.840 -0.170 0.000 0.815 468 L CB 2.092 44.065 42.059 -0.143 0.000 1.295 468 L HN 0.384 nan 8.230 nan 0.000 0.438 469 P HA 0.115 nan 4.420 nan 0.000 0.265 469 P C -1.185 175.631 177.300 -0.807 0.000 1.187 469 P CA 0.117 62.142 63.100 -1.792 0.000 0.766 469 P CB 0.605 31.629 31.700 -1.127 0.000 0.820 470 A N 2.657 125.102 122.820 -0.624 0.000 2.540 470 A HA 0.373 4.694 4.320 0.003 0.000 0.297 470 A C 0.203 177.702 177.584 -0.143 0.000 1.056 470 A CA -0.580 51.307 52.037 -0.251 0.000 0.700 470 A CB 1.239 20.168 19.000 -0.118 0.000 1.280 470 A HN 0.434 nan 8.150 nan 0.000 0.398 471 K N 0.476 120.809 120.400 -0.112 0.000 2.360 471 K HA 0.182 4.503 4.320 0.003 0.000 0.196 471 K C -0.023 176.532 176.600 -0.075 0.000 1.049 471 K CA 0.611 56.851 56.287 -0.079 0.000 1.049 471 K CB 0.728 33.181 32.500 -0.079 0.000 0.881 471 K HN 0.790 nan 8.250 nan 0.000 0.542 472 E N -0.147 120.011 120.200 -0.069 0.000 2.320 472 E HA 0.445 4.797 4.350 0.003 0.000 0.264 472 E C -0.085 176.482 176.600 -0.055 0.000 0.923 472 E CA -0.693 55.668 56.400 -0.065 0.000 0.796 472 E CB 1.860 31.528 29.700 -0.053 0.000 1.262 472 E HN 0.144 nan 8.360 nan 0.000 0.428 473 G N -0.016 108.750 108.800 -0.056 0.000 2.740 473 G HA2 -0.315 3.647 3.960 0.003 0.000 0.250 473 G HA3 -0.315 3.647 3.960 0.003 0.000 0.250 473 G C 0.763 175.640 174.900 -0.039 0.000 1.358 473 G CA -0.151 44.927 45.100 -0.038 0.000 0.897 473 G HN 0.559 nan 8.290 nan 0.000 0.567 474 V N 0.288 120.193 119.914 -0.015 0.000 2.568 474 V HA -0.125 3.997 4.120 0.003 0.000 0.253 474 V C 2.620 178.709 176.094 -0.009 0.000 1.072 474 V CA 3.339 65.621 62.300 -0.030 0.000 1.084 474 V CB -0.616 31.191 31.823 -0.026 0.000 0.676 474 V HN 0.760 nan 8.190 nan 0.000 0.469 475 E N 0.752 120.963 120.200 0.018 0.000 2.110 475 E HA -0.160 4.192 4.350 0.003 0.000 0.193 475 E C 2.395 179.034 176.600 0.064 0.000 0.988 475 E CA 1.572 57.998 56.400 0.043 0.000 0.804 475 E CB -0.381 29.333 29.700 0.023 0.000 0.745 475 E HN 0.852 nan 8.360 nan 0.000 0.458 476 S N -0.485 115.229 115.700 0.024 0.000 2.402 476 S HA -0.123 4.348 4.470 0.003 0.000 0.229 476 S C 2.010 176.653 174.600 0.073 0.000 1.021 476 S CA 1.407 59.635 58.200 0.048 0.000 0.974 476 S CB -0.502 62.677 63.200 -0.035 0.000 0.800 476 S HN 0.136 nan 8.310 nan 0.000 0.484 477 T N 2.629 117.194 114.554 0.019 0.000 2.812 477 T HA 0.208 4.560 4.350 0.003 0.000 0.264 477 T C 1.709 176.463 174.700 0.089 0.000 1.042 477 T CA 1.238 63.363 62.100 0.042 0.000 1.140 477 T CB -0.408 68.471 68.868 0.017 0.000 0.870 477 T HN 0.390 nan 8.240 nan 0.000 0.445 478 I N 0.265 120.885 120.570 0.084 0.000 2.226 478 I HA -0.172 4.000 4.170 0.003 0.000 0.245 478 I C 2.465 178.682 176.117 0.166 0.000 1.100 478 I CA 1.259 62.627 61.300 0.114 0.000 1.374 478 I CB -0.315 37.751 38.000 0.109 0.000 1.057 478 I HN 0.469 nan 8.210 nan 0.000 0.413 479 W N 1.692 122.988 121.300 -0.005 0.000 2.363 479 W HA -0.244 4.417 4.660 0.003 0.000 0.296 479 W C 2.290 178.783 176.519 -0.044 0.000 1.212 479 W CA 1.013 58.339 57.345 -0.032 0.000 1.260 479 W CB -0.095 29.329 29.460 -0.059 0.000 1.131 479 W HN 0.152 nan 8.180 nan 0.000 0.530 480 L N 1.555 122.753 121.223 -0.042 0.000 2.046 480 L HA -0.169 4.172 4.340 0.003 0.000 0.208 480 L C 2.445 179.309 176.870 -0.009 0.000 1.077 480 L CA 1.928 56.706 54.840 -0.105 0.000 0.747 480 L CB -1.171 40.919 42.059 0.052 0.000 0.896 480 L HN -0.033 nan 8.230 nan 0.000 0.432 481 L N -0.598 120.661 121.223 0.059 0.000 2.083 481 L HA -0.166 4.175 4.340 0.003 0.000 0.209 481 L C 2.685 179.495 176.870 -0.101 0.000 1.083 481 L CA 1.085 55.904 54.840 -0.035 0.000 0.752 481 L CB -0.966 41.121 42.059 0.047 0.000 0.899 481 L HN 0.389 nan 8.230 nan 0.000 0.433 482 A N 0.237 123.024 122.820 -0.054 0.000 1.902 482 A HA -0.225 4.096 4.320 0.003 0.000 0.217 482 A C 2.336 179.778 177.584 -0.236 0.000 1.181 482 A CA 1.694 53.700 52.037 -0.052 0.000 0.623 482 A CB -0.352 18.559 19.000 -0.149 0.000 0.818 482 A HN 0.318 nan 8.150 nan 0.000 0.443 483 K N -0.358 119.700 120.400 -0.570 0.000 2.097 483 K HA -0.086 4.235 4.320 0.003 0.000 0.206 483 K C 2.309 178.807 176.600 -0.169 0.000 1.049 483 K CA 1.095 57.005 56.287 -0.629 0.000 0.933 483 K CB -0.337 31.497 32.500 -1.110 0.000 0.717 483 K HN 0.458 nan 8.250 nan 0.000 0.442 484 A N 0.787 123.516 122.820 -0.151 0.000 1.902 484 A HA -0.179 4.143 4.320 0.003 0.000 0.217 484 A C 1.880 179.344 177.584 -0.200 0.000 1.181 484 A CA 1.331 53.259 52.037 -0.182 0.000 0.623 484 A CB -0.778 17.950 19.000 -0.453 0.000 0.818 484 A HN 0.261 nan 8.150 nan 0.000 0.443 485 Y N -0.218 120.048 120.300 -0.055 0.000 2.224 485 Y HA -0.152 4.400 4.550 0.003 0.000 0.289 485 Y C 2.590 178.472 175.900 -0.031 0.000 1.146 485 Y CA 1.194 59.285 58.100 -0.015 0.000 1.182 485 Y CB -0.773 37.735 38.460 0.080 0.000 0.983 485 Y HN 0.095 nan 8.280 nan 0.000 0.524 486 V N -0.145 119.857 119.914 0.147 0.000 2.295 486 V HA -0.282 3.840 4.120 0.003 0.000 0.246 486 V C 2.197 178.368 176.094 0.128 0.000 1.049 486 V CA 1.461 63.859 62.300 0.163 0.000 1.024 486 V CB -0.557 31.436 31.823 0.284 0.000 0.648 486 V HN 0.321 nan 8.190 nan 0.000 0.447 487 I N -0.252 120.402 120.570 0.140 0.000 2.493 487 I HA -0.134 4.038 4.170 0.003 0.000 0.254 487 I C 2.420 178.546 176.117 0.016 0.000 1.160 487 I CA 1.218 62.577 61.300 0.099 0.000 1.445 487 I CB -1.128 36.945 38.000 0.122 0.000 1.086 487 I HN 0.166 nan 8.210 nan 0.000 0.433 488 V N 1.231 121.128 119.914 -0.027 0.000 2.307 488 V HA -0.273 3.848 4.120 0.003 0.000 0.245 488 V C 2.207 178.251 176.094 -0.083 0.000 1.045 488 V CA 1.842 64.115 62.300 -0.045 0.000 1.024 488 V CB -0.828 30.966 31.823 -0.048 0.000 0.651 488 V HN 0.471 nan 8.190 nan 0.000 0.449 489 N N -0.082 118.461 118.700 -0.261 0.000 2.069 489 N HA -0.257 4.485 4.740 0.003 0.000 0.191 489 N C 1.683 176.893 175.510 -0.501 0.000 1.031 489 N CA 1.786 54.409 53.050 -0.712 0.000 0.852 489 N CB -0.164 37.795 38.487 -0.880 0.000 1.018 489 N HN 0.562 nan 8.380 nan 0.000 0.423 490 D N 0.069 120.305 120.400 -0.274 0.000 2.117 490 D HA -0.057 4.585 4.640 0.003 0.000 0.197 490 D C 1.840 178.243 176.300 0.170 0.000 0.987 490 D CA 1.019 55.009 54.000 -0.017 0.000 0.829 490 D CB 0.150 41.060 40.800 0.183 0.000 0.961 490 D HN 0.030 nan 8.370 nan 0.000 0.460 491 S N -0.971 114.832 115.700 0.170 0.000 2.368 491 S HA -0.172 4.300 4.470 0.003 0.000 0.225 491 S C 2.234 177.097 174.600 0.438 0.000 1.030 491 S CA 0.849 59.239 58.200 0.317 0.000 0.999 491 S CB -0.407 62.952 63.200 0.265 0.000 0.844 491 S HN 0.487 nan 8.310 nan 0.000 0.459 492 C N 0.195 119.723 119.300 0.380 0.000 2.432 492 C HA -0.062 4.399 4.460 0.003 0.000 0.277 492 C C 2.343 177.446 174.990 0.187 0.000 1.249 492 C CA 0.447 59.660 59.018 0.325 0.000 1.725 492 C CB -1.308 26.690 27.740 0.430 0.000 2.028 492 C HN 0.677 nan 8.230 nan 0.000 0.477 493 Y N 0.493 120.879 120.300 0.143 0.000 2.181 493 Y HA -0.210 4.342 4.550 0.003 0.000 0.288 493 Y C 2.839 178.839 175.900 0.166 0.000 1.146 493 Y CA 2.237 60.419 58.100 0.138 0.000 1.164 493 Y CB -0.743 37.804 38.460 0.146 0.000 0.982 493 Y HN 0.510 nan 8.280 nan 0.000 0.515 494 H N -0.357 118.868 119.070 0.258 0.000 2.293 494 H HA -0.165 4.392 4.556 0.003 0.000 0.300 494 H C 1.773 177.173 175.328 0.120 0.000 1.082 494 H CA 2.004 58.168 56.048 0.194 0.000 1.308 494 H CB 0.078 29.948 29.762 0.179 0.000 1.375 494 H HN 0.354 nan 8.280 nan 0.000 0.495 495 Q N 0.425 120.148 119.800 -0.129 0.000 2.083 495 Q HA -0.043 4.298 4.340 0.003 0.000 0.198 495 Q C 2.833 178.709 176.000 -0.208 0.000 0.969 495 Q CA 0.860 56.524 55.803 -0.231 0.000 0.838 495 Q CB -0.007 28.532 28.738 -0.331 0.000 0.900 495 Q HN 0.518 nan 8.270 nan 0.000 0.436 496 L N -0.712 120.384 121.223 -0.213 0.000 2.209 496 L HA -0.050 4.292 4.340 0.003 0.000 0.207 496 L C 2.032 178.850 176.870 -0.087 0.000 1.094 496 L CA 0.518 55.273 54.840 -0.142 0.000 0.790 496 L CB -0.151 41.791 42.059 -0.195 0.000 0.932 496 L HN 0.184 nan 8.230 nan 0.000 0.447 497 M N -1.597 117.848 119.600 -0.258 0.000 2.962 497 M HA 0.131 4.613 4.480 0.003 0.000 0.242 497 M C 2.395 178.612 176.300 -0.138 0.000 1.396 497 M CA 0.811 55.925 55.300 -0.310 0.000 1.287 497 M CB -1.089 30.965 32.600 -0.909 0.000 1.168 497 M HN -0.104 nan 8.290 nan 0.000 0.557 498 S N 0.125 115.756 115.700 -0.115 0.000 2.383 498 S HA -0.162 4.310 4.470 0.003 0.000 0.229 498 S C 1.886 176.539 174.600 0.089 0.000 1.030 498 S CA 1.578 59.821 58.200 0.072 0.000 1.002 498 S CB -0.489 62.815 63.200 0.174 0.000 0.829 498 S HN 0.535 nan 8.310 nan 0.000 0.467 499 H N -1.193 117.786 119.070 -0.151 0.000 2.300 499 H HA 0.005 4.563 4.556 0.003 0.000 0.322 499 H C 2.176 177.571 175.328 0.111 0.000 1.088 499 H CA 0.449 56.470 56.048 -0.046 0.000 1.532 499 H CB -0.339 29.272 29.762 -0.251 0.000 1.488 499 H HN 0.462 nan 8.280 nan 0.000 0.607 500 W N 1.620 122.799 121.300 -0.202 0.000 2.332 500 W HA -0.238 4.423 4.660 0.003 0.000 0.321 500 W C 2.075 178.546 176.519 -0.080 0.000 1.219 500 W CA 1.388 58.596 57.345 -0.229 0.000 1.277 500 W CB -0.593 28.681 29.460 -0.309 0.000 1.161 500 W HN 0.362 nan 8.180 nan 0.000 0.476 501 L N 2.364 123.439 121.223 -0.248 0.000 1.976 501 L HA -0.226 4.116 4.340 0.003 0.000 0.209 501 L C 1.993 178.706 176.870 -0.261 0.000 1.071 501 L CA 2.407 57.039 54.840 -0.346 0.000 0.746 501 L CB -1.502 40.492 42.059 -0.109 0.000 0.890 501 L HN -0.120 nan 8.230 nan 0.000 0.432 502 N N -1.020 117.667 118.700 -0.022 0.000 2.453 502 N HA -0.097 4.645 4.740 0.003 0.000 0.183 502 N C 1.405 177.011 175.510 0.159 0.000 1.041 502 N CA 1.409 54.557 53.050 0.164 0.000 0.900 502 N CB -0.288 38.355 38.487 0.261 0.000 0.961 502 N HN 0.735 nan 8.380 nan 0.000 0.443 503 T N -3.092 111.496 114.554 0.057 0.000 3.518 503 T HA 0.094 4.445 4.350 0.003 0.000 0.211 503 T C 1.565 176.177 174.700 -0.146 0.000 0.940 503 T CA -0.077 62.055 62.100 0.054 0.000 1.307 503 T CB -0.212 68.779 68.868 0.204 0.000 1.392 503 T HN -0.009 nan 8.240 nan 0.000 0.382 504 H N 1.874 120.768 119.070 -0.294 0.000 2.267 504 H HA -0.117 4.441 4.556 0.003 0.000 0.291 504 H C 2.644 177.566 175.328 -0.677 0.000 1.094 504 H CA 2.290 58.016 56.048 -0.537 0.000 1.227 504 H CB -0.656 28.587 29.762 -0.864 0.000 1.351 504 H HN 0.588 nan 8.280 nan 0.000 0.483 505 A N 0.894 123.167 122.820 -0.912 0.000 1.897 505 A HA 0.063 4.385 4.320 0.003 0.000 0.215 505 A C 2.657 179.970 177.584 -0.452 0.000 1.181 505 A CA 1.370 52.970 52.037 -0.728 0.000 0.620 505 A CB -0.662 17.743 19.000 -0.992 0.000 0.821 505 A HN 0.454 nan 8.150 nan 0.000 0.443 506 A N -1.198 121.419 122.820 -0.339 0.000 2.015 506 A HA -0.048 4.274 4.320 0.003 0.000 0.219 506 A C 2.096 179.836 177.584 0.261 0.000 1.163 506 A CA 2.060 54.059 52.037 -0.063 0.000 0.646 506 A CB -0.398 18.638 19.000 0.059 0.000 0.806 506 A HN 0.517 nan 8.150 nan 0.000 0.448 507 M N -0.272 119.440 119.600 0.186 0.000 2.334 507 M HA 0.046 4.528 4.480 0.003 0.000 0.266 507 M C 1.721 178.116 176.300 0.159 0.000 1.082 507 M CA 1.781 57.288 55.300 0.346 0.000 1.141 507 M CB -0.458 32.275 32.600 0.222 0.000 1.380 507 M HN 0.538 nan 8.290 nan 0.000 0.440 508 E N -0.113 120.074 120.200 -0.022 0.000 2.097 508 E HA -0.211 4.141 4.350 0.003 0.000 0.196 508 E C -0.980 175.565 176.600 -0.091 0.000 1.000 508 E CA 1.677 58.039 56.400 -0.062 0.000 0.804 508 E CB -0.907 28.761 29.700 -0.054 0.000 0.740 508 E HN 0.346 nan 8.360 nan 0.000 0.454 509 P HA -0.153 nan 4.420 nan 0.000 0.216 509 P C 0.655 177.836 177.300 -0.198 0.000 1.150 509 P CA 1.299 64.256 63.100 -0.238 0.000 0.837 509 P CB -0.097 31.204 31.700 -0.665 0.000 0.786 510 F N -1.404 118.592 119.950 0.077 0.000 2.259 510 F HA -0.110 4.419 4.527 0.003 0.000 0.298 510 F C 2.266 178.022 175.800 -0.073 0.000 1.088 510 F CA 0.804 58.874 58.000 0.118 0.000 1.358 510 F CB -1.612 37.563 39.000 0.293 0.000 1.040 510 F HN -0.255 nan 8.300 nan 0.000 0.505 511 V N 0.413 120.182 119.914 -0.242 0.000 2.261 511 V HA -0.286 3.836 4.120 0.003 0.000 0.246 511 V C 2.344 178.443 176.094 0.010 0.000 1.047 511 V CA 1.763 63.758 62.300 -0.509 0.000 1.015 511 V CB -0.648 30.973 31.823 -0.337 0.000 0.642 511 V HN 0.256 nan 8.190 nan 0.000 0.446 512 I N 0.656 121.253 120.570 0.045 0.000 2.127 512 I HA -0.277 3.895 4.170 0.003 0.000 0.241 512 I C 2.725 178.904 176.117 0.103 0.000 1.075 512 I CA 1.706 63.034 61.300 0.046 0.000 1.334 512 I CB -0.684 37.144 38.000 -0.287 0.000 1.040 512 I HN 0.287 nan 8.210 nan 0.000 0.405 513 A N 0.348 123.310 122.820 0.236 0.000 1.908 513 A HA -0.235 4.087 4.320 0.003 0.000 0.218 513 A C 2.385 180.332 177.584 0.605 0.000 1.181 513 A CA 2.610 54.903 52.037 0.425 0.000 0.627 513 A CB -1.212 17.947 19.000 0.265 0.000 0.818 513 A HN 0.434 nan 8.150 nan 0.000 0.445 514 T N -0.807 114.100 114.554 0.589 0.000 2.684 514 T HA -0.154 4.198 4.350 0.003 0.000 0.267 514 T C 1.799 176.564 174.700 0.108 0.000 1.036 514 T CA 1.566 63.889 62.100 0.373 0.000 1.148 514 T CB -0.480 68.559 68.868 0.284 0.000 0.863 514 T HN 0.627 nan 8.240 nan 0.000 0.436 515 H N 0.666 119.744 119.070 0.012 0.000 2.462 515 H HA 0.163 4.721 4.556 0.003 0.000 0.292 515 H C 2.485 177.702 175.328 -0.184 0.000 1.049 515 H CA 0.808 56.730 56.048 -0.210 0.000 1.334 515 H CB 0.104 29.212 29.762 -1.090 0.000 1.404 515 H HN 0.287 nan 8.280 nan 0.000 0.544 516 R N -0.449 120.055 120.500 0.006 0.000 2.153 516 R HA -0.035 4.307 4.340 0.003 0.000 0.218 516 R C 1.140 177.264 176.300 -0.294 0.000 1.072 516 R CA 0.793 56.833 56.100 -0.100 0.000 0.990 516 R CB 0.289 30.556 30.300 -0.055 0.000 0.889 516 R HN 0.428 nan 8.270 nan 0.000 0.452 517 H N -1.491 117.688 119.070 0.183 0.000 3.457 517 H HA 0.248 4.806 4.556 0.003 0.000 0.255 517 H C -0.095 175.274 175.328 0.068 0.000 1.082 517 H CA 0.043 56.197 56.048 0.176 0.000 1.189 517 H CB 0.954 30.904 29.762 0.314 0.000 1.511 517 H HN -0.036 nan 8.280 nan 0.000 0.527 518 L N 1.830 123.102 121.223 0.081 0.000 2.287 518 L HA 0.278 4.620 4.340 0.003 0.000 0.287 518 L C 0.703 177.523 176.870 -0.084 0.000 1.022 518 L CA -0.532 54.242 54.840 -0.111 0.000 0.814 518 L CB 1.996 43.861 42.059 -0.322 0.000 1.217 518 L HN -0.033 nan 8.230 nan 0.000 0.420 519 S N 1.420 117.052 115.700 -0.112 0.000 2.579 519 S HA 0.079 4.550 4.470 0.003 0.000 0.275 519 S C 1.390 175.643 174.600 -0.578 0.000 1.345 519 S CA -0.568 57.469 58.200 -0.272 0.000 1.031 519 S CB 1.352 64.412 63.200 -0.232 0.000 0.892 519 S HN 0.467 nan 8.310 nan 0.000 0.529 520 V N 3.691 123.133 119.914 -0.787 0.000 2.828 520 V HA -0.111 4.011 4.120 0.003 0.000 0.260 520 V C 1.823 177.633 176.094 -0.473 0.000 1.101 520 V CA 1.693 63.378 62.300 -1.024 0.000 1.123 520 V CB -1.216 30.336 31.823 -0.452 0.000 0.704 520 V HN 0.800 nan 8.190 nan 0.000 0.493 521 L N -0.929 120.066 121.223 -0.380 0.000 2.313 521 L HA 0.120 4.462 4.340 0.003 0.000 0.214 521 L C 1.660 178.444 176.870 -0.143 0.000 1.119 521 L CA 0.408 55.105 54.840 -0.237 0.000 0.809 521 L CB -0.593 41.318 42.059 -0.246 0.000 0.933 521 L HN 0.394 nan 8.230 nan 0.000 0.449 522 H N 2.371 121.326 119.070 -0.191 0.000 2.964 522 H HA 0.005 4.562 4.556 0.003 0.000 0.328 522 H C -1.528 173.738 175.328 -0.103 0.000 1.030 522 H CA -1.339 54.638 56.048 -0.119 0.000 1.445 522 H CB 1.487 31.200 29.762 -0.082 0.000 1.449 522 H HN -0.069 nan 8.280 nan 0.000 0.581 523 P HA -0.166 nan 4.420 nan 0.000 0.217 523 P C 1.546 178.951 177.300 0.174 0.000 1.150 523 P CA 0.851 63.796 63.100 -0.259 0.000 0.832 523 P CB 0.491 31.573 31.700 -1.031 0.000 0.787 524 I N -1.640 119.147 120.570 0.362 0.000 2.546 524 I HA -0.164 4.007 4.170 0.003 0.000 0.255 524 I C 2.562 178.642 176.117 -0.062 0.000 1.163 524 I CA 0.751 62.105 61.300 0.090 0.000 1.457 524 I CB -1.751 36.186 38.000 -0.105 0.000 1.092 524 I HN -0.076 nan 8.210 nan 0.000 0.434 525 Y N 2.390 122.621 120.300 -0.116 0.000 2.200 525 Y HA -0.206 4.346 4.550 0.003 0.000 0.290 525 Y C 2.492 178.314 175.900 -0.130 0.000 1.137 525 Y CA 1.819 59.813 58.100 -0.175 0.000 1.163 525 Y CB -0.112 38.268 38.460 -0.133 0.000 0.988 525 Y HN 0.021 nan 8.280 nan 0.000 0.518 526 K N -0.390 120.140 120.400 0.218 0.000 2.148 526 K HA -0.141 4.181 4.320 0.003 0.000 0.204 526 K C 1.911 178.431 176.600 -0.133 0.000 1.050 526 K CA 1.317 57.690 56.287 0.143 0.000 0.942 526 K CB -0.304 32.404 32.500 0.347 0.000 0.724 526 K HN 0.310 nan 8.250 nan 0.000 0.446 527 L N 0.906 122.015 121.223 -0.190 0.000 2.072 527 L HA -0.093 4.248 4.340 0.003 0.000 0.205 527 L C 1.720 178.446 176.870 -0.239 0.000 1.079 527 L CA 1.574 56.188 54.840 -0.376 0.000 0.752 527 L CB -0.070 41.694 42.059 -0.491 0.000 0.906 527 L HN 0.086 nan 8.230 nan 0.000 0.436 528 L N -1.224 119.829 121.223 -0.284 0.000 2.202 528 L HA -0.037 4.305 4.340 0.003 0.000 0.205 528 L C 2.479 178.875 176.870 -0.790 0.000 1.083 528 L CA 1.088 55.704 54.840 -0.374 0.000 0.790 528 L CB -1.041 40.844 42.059 -0.290 0.000 0.942 528 L HN 0.409 nan 8.230 nan 0.000 0.452 529 T N -2.093 111.993 114.554 -0.780 0.000 2.803 529 T HA -0.105 4.247 4.350 0.003 0.000 0.269 529 T C -0.534 173.853 174.700 -0.521 0.000 1.052 529 T CA 0.822 62.464 62.100 -0.764 0.000 1.136 529 T CB -1.654 66.763 68.868 -0.752 0.000 0.864 529 T HN 0.160 nan 8.240 nan 0.000 0.467 530 P HA -0.065 nan 4.420 nan 0.000 0.220 530 P C 1.072 178.055 177.300 -0.528 0.000 1.148 530 P CA 0.956 63.758 63.100 -0.497 0.000 0.803 530 P CB -0.201 31.107 31.700 -0.654 0.000 0.782 531 H N -2.744 116.140 119.070 -0.310 0.000 2.543 531 H HA 0.107 4.664 4.556 0.003 0.000 0.269 531 H C 0.396 175.719 175.328 -0.009 0.000 1.005 531 H CA 0.714 56.657 56.048 -0.175 0.000 1.146 531 H CB -0.011 29.653 29.762 -0.164 0.000 1.353 531 H HN 0.287 nan 8.280 nan 0.000 0.595 532 Y N -0.124 120.203 120.300 0.046 0.000 2.500 532 Y HA 0.168 4.720 4.550 0.003 0.000 0.246 532 Y C 1.355 177.283 175.900 0.046 0.000 1.146 532 Y CA -0.953 57.190 58.100 0.072 0.000 1.230 532 Y CB 0.108 38.637 38.460 0.115 0.000 1.214 532 Y HN -0.053 nan 8.280 nan 0.000 0.526 533 R N 2.355 122.935 120.500 0.134 0.000 2.485 533 R HA -0.163 4.179 4.340 0.003 0.000 0.304 533 R C 0.547 176.898 176.300 0.086 0.000 0.934 533 R CA 0.922 57.077 56.100 0.090 0.000 1.102 533 R CB -0.141 30.171 30.300 0.019 0.000 0.906 533 R HN 0.400 nan 8.270 nan 0.000 0.407 534 N N 1.671 120.428 118.700 0.095 0.000 2.900 534 N HA -0.316 4.425 4.740 0.003 0.000 0.240 534 N C 0.479 176.038 175.510 0.082 0.000 0.953 534 N CA 1.693 54.796 53.050 0.089 0.000 0.950 534 N CB -1.343 37.205 38.487 0.102 0.000 1.102 534 N HN 0.863 nan 8.380 nan 0.000 0.593 535 N N -0.669 118.077 118.700 0.076 0.000 2.058 535 N HA -0.081 4.661 4.740 0.003 0.000 0.191 535 N C 1.680 177.231 175.510 0.069 0.000 1.037 535 N CA 1.560 54.638 53.050 0.045 0.000 0.848 535 N CB -0.097 38.417 38.487 0.045 0.000 1.021 535 N HN 0.351 nan 8.380 nan 0.000 0.422 536 M N 0.279 119.913 119.600 0.056 0.000 2.159 536 M HA -0.143 4.338 4.480 0.003 0.000 0.263 536 M C 1.900 178.221 176.300 0.035 0.000 1.063 536 M CA 1.115 56.432 55.300 0.029 0.000 1.110 536 M CB -0.369 32.217 32.600 -0.022 0.000 1.374 536 M HN 0.247 nan 8.290 nan 0.000 0.411 537 N N 1.223 119.945 118.700 0.036 0.000 2.058 537 N HA -0.162 4.579 4.740 0.003 0.000 0.191 537 N C 1.456 177.016 175.510 0.082 0.000 1.037 537 N CA 1.348 54.421 53.050 0.038 0.000 0.848 537 N CB -0.218 38.296 38.487 0.045 0.000 1.021 537 N HN 0.216 nan 8.380 nan 0.000 0.422 538 I N 0.862 121.507 120.570 0.125 0.000 2.286 538 I HA -0.167 4.005 4.170 0.003 0.000 0.248 538 I C 1.385 177.626 176.117 0.207 0.000 1.115 538 I CA 1.306 62.707 61.300 0.168 0.000 1.392 538 I CB -0.616 37.527 38.000 0.238 0.000 1.065 538 I HN 0.148 nan 8.210 nan 0.000 0.418 539 N N 1.097 119.945 118.700 0.246 0.000 2.120 539 N HA -0.076 4.666 4.740 0.003 0.000 0.188 539 N C 1.904 177.561 175.510 0.245 0.000 1.024 539 N CA 1.628 54.885 53.050 0.346 0.000 0.852 539 N CB -0.584 38.079 38.487 0.293 0.000 1.003 539 N HN 0.517 nan 8.380 nan 0.000 0.424 540 A N 0.604 123.513 122.820 0.149 0.000 1.898 540 A HA -0.024 4.297 4.320 0.003 0.000 0.216 540 A C 2.240 179.838 177.584 0.022 0.000 1.181 540 A CA 0.902 53.027 52.037 0.147 0.000 0.620 540 A CB -0.705 18.370 19.000 0.124 0.000 0.819 540 A HN 0.234 nan 8.150 nan 0.000 0.442 541 L N -0.841 120.374 121.223 -0.013 0.000 2.201 541 L HA -0.146 4.195 4.340 0.003 0.000 0.212 541 L C 3.000 179.778 176.870 -0.153 0.000 1.105 541 L CA 0.831 55.603 54.840 -0.113 0.000 0.775 541 L CB -0.412 41.624 42.059 -0.038 0.000 0.913 541 L HN 0.439 nan 8.230 nan 0.000 0.440 542 A N 0.084 122.865 122.820 -0.066 0.000 1.898 542 A HA -0.156 4.166 4.320 0.003 0.000 0.216 542 A C 2.379 179.829 177.584 -0.223 0.000 1.181 542 A CA 1.105 53.052 52.037 -0.150 0.000 0.620 542 A CB -0.377 18.559 19.000 -0.107 0.000 0.819 542 A HN 0.283 nan 8.150 nan 0.000 0.442 543 R N -0.681 119.761 120.500 -0.097 0.000 2.120 543 R HA -0.173 4.169 4.340 0.003 0.000 0.234 543 R C 2.421 178.607 176.300 -0.190 0.000 1.123 543 R CA 1.581 57.667 56.100 -0.023 0.000 0.975 543 R CB -0.236 30.198 30.300 0.223 0.000 0.866 543 R HN 0.814 nan 8.270 nan 0.000 0.446 544 Q N -0.374 119.081 119.800 -0.575 0.000 2.163 544 Q HA -0.014 4.328 4.340 0.003 0.000 0.198 544 Q C 0.923 176.667 176.000 -0.426 0.000 0.954 544 Q CA 1.333 56.589 55.803 -0.911 0.000 0.851 544 Q CB 0.448 28.302 28.738 -1.473 0.000 0.928 544 Q HN 0.122 nan 8.270 nan 0.000 0.459 545 S N -0.804 114.709 115.700 -0.312 0.000 2.628 545 S HA 0.126 4.597 4.470 0.003 0.000 0.246 545 S C 1.003 175.501 174.600 -0.170 0.000 1.062 545 S CA -0.310 57.768 58.200 -0.203 0.000 1.028 545 S CB 0.527 63.629 63.200 -0.162 0.000 0.985 545 S HN 0.238 nan 8.310 nan 0.000 0.551 546 L N 1.894 122.990 121.223 -0.213 0.000 2.269 546 L HA 0.484 4.825 4.340 0.003 0.000 0.200 546 L C 1.202 177.893 176.870 -0.299 0.000 1.069 546 L CA 1.146 55.847 54.840 -0.231 0.000 0.804 546 L CB 0.029 41.927 42.059 -0.268 0.000 0.987 546 L HN 0.394 nan 8.230 nan 0.000 0.468 547 I N -1.589 118.754 120.570 -0.378 0.000 3.927 547 I HA 0.269 4.440 4.170 0.003 0.000 0.332 547 I C -0.042 175.915 176.117 -0.267 0.000 1.485 547 I CA -0.627 60.427 61.300 -0.410 0.000 1.131 547 I CB -0.564 37.032 38.000 -0.674 0.000 1.092 547 I HN 0.163 nan 8.210 nan 0.000 0.410 548 N N 2.332 120.913 118.700 -0.198 0.000 2.408 548 N HA 0.284 5.025 4.740 0.003 0.000 0.260 548 N C 0.106 175.540 175.510 -0.126 0.000 1.242 548 N CA -0.286 52.686 53.050 -0.131 0.000 0.959 548 N CB 0.992 39.414 38.487 -0.109 0.000 1.201 548 N HN 0.174 nan 8.380 nan 0.000 0.511 549 A N 0.650 123.410 122.820 -0.100 0.000 2.524 549 A HA 0.084 4.406 4.320 0.003 0.000 0.250 549 A C 0.707 178.239 177.584 -0.088 0.000 1.078 549 A CA 0.112 52.089 52.037 -0.101 0.000 0.761 549 A CB -1.157 17.793 19.000 -0.084 0.000 1.012 549 A HN 0.915 nan 8.150 nan 0.000 0.500 550 N N 0.025 118.671 118.700 -0.091 0.000 2.782 550 N HA -0.149 4.593 4.740 0.003 0.000 0.251 550 N C 0.514 175.982 175.510 -0.069 0.000 1.101 550 N CA 1.527 54.533 53.050 -0.073 0.000 0.764 550 N CB -1.315 37.136 38.487 -0.060 0.000 1.122 550 N HN 1.190 nan 8.380 nan 0.000 0.561 551 G N -0.442 108.306 108.800 -0.088 0.000 2.535 551 G HA2 0.449 4.410 3.960 0.003 0.000 0.282 551 G HA3 0.449 4.410 3.960 0.003 0.000 0.282 551 G C 1.435 176.296 174.900 -0.066 0.000 1.350 551 G CA -0.110 44.935 45.100 -0.092 0.000 1.039 551 G HN 0.192 nan 8.290 nan 0.000 0.509 552 I N -0.161 120.373 120.570 -0.061 0.000 2.163 552 I HA -0.177 3.994 4.170 0.003 0.000 0.243 552 I C 2.515 178.646 176.117 0.023 0.000 1.085 552 I CA 0.805 62.099 61.300 -0.010 0.000 1.347 552 I CB -0.155 37.845 38.000 0.001 0.000 1.044 552 I HN 0.273 nan 8.210 nan 0.000 0.408 553 I N 0.660 121.206 120.570 -0.039 0.000 2.179 553 I HA -0.252 3.919 4.170 0.003 0.000 0.242 553 I C 2.492 178.636 176.117 0.045 0.000 1.088 553 I CA 1.690 62.980 61.300 -0.016 0.000 1.357 553 I CB -1.319 36.531 38.000 -0.251 0.000 1.051 553 I HN 0.334 nan 8.210 nan 0.000 0.409 554 E N 0.307 120.480 120.200 -0.045 0.000 2.153 554 E HA -0.198 4.154 4.350 0.003 0.000 0.194 554 E C 1.835 178.433 176.600 -0.004 0.000 0.988 554 E CA 1.908 58.285 56.400 -0.039 0.000 0.811 554 E CB -0.094 29.551 29.700 -0.092 0.000 0.746 554 E HN 0.599 nan 8.360 nan 0.000 0.466 555 T N -2.424 112.130 114.554 -0.000 0.000 3.107 555 T HA 0.025 4.376 4.350 0.003 0.000 0.249 555 T C 1.679 176.379 174.700 0.000 0.000 1.096 555 T CA 0.935 63.029 62.100 -0.010 0.000 1.012 555 T CB 0.191 69.044 68.868 -0.024 0.000 0.977 555 T HN 0.142 nan 8.240 nan 0.000 0.527 556 T N -2.236 112.354 114.554 0.061 0.000 2.954 556 T HA 0.423 4.774 4.350 0.003 0.000 0.252 556 T C -0.012 174.641 174.700 -0.078 0.000 0.983 556 T CA -0.512 61.590 62.100 0.003 0.000 0.941 556 T CB -0.142 68.745 68.868 0.032 0.000 1.141 556 T HN 0.216 nan 8.240 nan 0.000 0.500 557 F N 1.132 121.062 119.950 -0.033 0.000 2.432 557 F HA 0.580 5.108 4.527 0.003 0.000 0.329 557 F C 1.255 177.055 175.800 -0.000 0.000 1.076 557 F CA -2.056 55.936 58.000 -0.014 0.000 1.018 557 F CB 1.505 40.498 39.000 -0.011 0.000 1.201 557 F HN -0.105 nan 8.300 nan 0.000 0.489 558 L N 4.301 125.626 121.223 0.170 0.000 2.011 558 L HA -0.189 4.153 4.340 0.003 0.000 0.225 558 L C -1.001 175.965 176.870 0.160 0.000 1.084 558 L CA 2.376 57.299 54.840 0.139 0.000 0.791 558 L CB -1.493 40.665 42.059 0.164 0.000 0.898 558 L HN 0.477 nan 8.230 nan 0.000 0.440 559 P HA -0.084 nan 4.420 nan 0.000 0.228 559 P C 1.018 178.397 177.300 0.133 0.000 1.151 559 P CA 1.116 64.324 63.100 0.179 0.000 0.770 559 P CB 0.027 31.787 31.700 0.098 0.000 0.786 560 S N 0.584 116.323 115.700 0.065 0.000 4.054 560 S HA -0.311 4.161 4.470 0.003 0.000 0.618 560 S C 1.521 176.046 174.600 -0.123 0.000 2.026 560 S CA 2.318 60.504 58.200 -0.025 0.000 4.205 560 S CB -1.626 61.553 63.200 -0.035 0.000 0.233 560 S HN 0.415 nan 8.310 nan 0.000 0.612 561 K N 0.533 120.770 120.400 -0.273 0.000 2.515 561 K HA -0.045 4.277 4.320 0.003 0.000 0.196 561 K C 1.320 177.671 176.600 -0.416 0.000 1.038 561 K CA 1.906 57.968 56.287 -0.374 0.000 0.967 561 K CB -0.370 31.857 32.500 -0.455 0.000 0.780 561 K HN 0.639 nan 8.250 nan 0.000 0.483 562 Y N 1.222 121.499 120.300 -0.038 0.000 2.462 562 Y HA 0.200 4.752 4.550 0.003 0.000 0.261 562 Y C 2.145 177.941 175.900 -0.172 0.000 1.146 562 Y CA -0.379 57.692 58.100 -0.048 0.000 1.283 562 Y CB 0.351 38.839 38.460 0.047 0.000 1.090 562 Y HN 0.045 nan 8.280 nan 0.000 0.526 563 S N 0.190 115.852 115.700 -0.063 0.000 2.377 563 S HA -0.211 4.260 4.470 0.003 0.000 0.224 563 S C 2.200 176.677 174.600 -0.204 0.000 1.042 563 S CA 2.059 60.172 58.200 -0.144 0.000 1.086 563 S CB -0.814 62.296 63.200 -0.151 0.000 0.995 563 S HN 0.267 nan 8.310 nan 0.000 0.428 564 V N 2.992 122.767 119.914 -0.232 0.000 2.343 564 V HA -0.216 3.905 4.120 0.003 0.000 0.247 564 V C 2.543 178.481 176.094 -0.260 0.000 1.051 564 V CA 2.099 64.232 62.300 -0.280 0.000 1.036 564 V CB -1.176 30.433 31.823 -0.355 0.000 0.654 564 V HN 0.718 nan 8.190 nan 0.000 0.451 565 E N 0.283 120.353 120.200 -0.217 0.000 2.153 565 E HA -0.253 4.099 4.350 0.003 0.000 0.194 565 E C 2.139 178.741 176.600 0.004 0.000 0.988 565 E CA 1.581 57.905 56.400 -0.126 0.000 0.811 565 E CB -0.460 29.215 29.700 -0.041 0.000 0.746 565 E HN 0.517 nan 8.360 nan 0.000 0.466 566 M N 1.671 121.157 119.600 -0.190 0.000 2.149 566 M HA -0.158 4.323 4.480 0.003 0.000 0.261 566 M C 2.543 178.790 176.300 -0.089 0.000 1.064 566 M CA 2.021 57.110 55.300 -0.352 0.000 1.102 566 M CB -0.339 31.889 32.600 -0.620 0.000 1.369 566 M HN 0.328 nan 8.290 nan 0.000 0.408 567 S N -1.124 114.554 115.700 -0.037 0.000 2.423 567 S HA -0.105 4.367 4.470 0.003 0.000 0.231 567 S C 1.906 176.691 174.600 0.308 0.000 1.014 567 S CA 1.392 59.657 58.200 0.109 0.000 0.965 567 S CB -0.441 62.867 63.200 0.181 0.000 0.785 567 S HN 0.468 nan 8.310 nan 0.000 0.495 568 S N 1.987 117.863 115.700 0.294 0.000 2.371 568 S HA 0.097 4.569 4.470 0.003 0.000 0.224 568 S C 2.150 177.007 174.600 0.427 0.000 1.029 568 S CA 1.020 59.496 58.200 0.459 0.000 0.978 568 S CB -0.887 62.498 63.200 0.308 0.000 0.833 568 S HN 0.761 nan 8.310 nan 0.000 0.466 569 A N 0.920 123.942 122.820 0.336 0.000 1.908 569 A HA -0.018 4.304 4.320 0.003 0.000 0.218 569 A C 2.339 180.082 177.584 0.265 0.000 1.181 569 A CA 1.872 54.085 52.037 0.293 0.000 0.627 569 A CB -1.093 18.102 19.000 0.324 0.000 0.818 569 A HN 0.470 nan 8.150 nan 0.000 0.445 570 V N -1.497 118.567 119.914 0.250 0.000 2.427 570 V HA -0.241 3.881 4.120 0.003 0.000 0.248 570 V C 2.331 178.611 176.094 0.311 0.000 1.051 570 V CA 1.887 64.340 62.300 0.254 0.000 1.048 570 V CB -0.966 30.977 31.823 0.199 0.000 0.666 570 V HN 0.729 nan 8.190 nan 0.000 0.456 571 Y N 1.450 121.872 120.300 0.203 0.000 2.403 571 Y HA -0.216 4.336 4.550 0.003 0.000 0.291 571 Y C 2.289 178.355 175.900 0.278 0.000 1.143 571 Y CA 1.385 59.609 58.100 0.208 0.000 1.257 571 Y CB -0.324 38.204 38.460 0.113 0.000 0.984 571 Y HN 0.229 nan 8.280 nan 0.000 0.550 572 K N -0.033 120.488 120.400 0.201 0.000 2.152 572 K HA -0.204 4.118 4.320 0.003 0.000 0.206 572 K C 1.076 177.730 176.600 0.090 0.000 1.048 572 K CA 1.844 58.197 56.287 0.110 0.000 0.933 572 K CB -0.291 32.298 32.500 0.148 0.000 0.721 572 K HN 0.518 nan 8.250 nan 0.000 0.447 573 N N -0.749 118.027 118.700 0.127 0.000 2.230 573 N HA -0.003 4.739 4.740 0.003 0.000 0.202 573 N C -0.607 174.939 175.510 0.061 0.000 1.119 573 N CA -0.484 52.624 53.050 0.097 0.000 0.851 573 N CB 0.254 38.805 38.487 0.107 0.000 0.990 573 N HN 0.181 nan 8.380 nan 0.000 0.497 574 W N 2.007 123.226 121.300 -0.136 0.000 2.253 574 W HA 0.296 4.958 4.660 0.003 0.000 0.322 574 W C -0.831 175.429 176.519 -0.431 0.000 1.342 574 W CA -0.145 57.092 57.345 -0.181 0.000 1.218 574 W CB 0.524 29.952 29.460 -0.054 0.000 1.205 574 W HN -0.342 nan 8.180 nan 0.000 0.551 575 V N 9.945 129.106 119.914 -1.254 0.000 2.443 575 V HA 0.064 4.186 4.120 0.003 0.000 0.293 575 V C 0.587 175.480 176.094 -2.001 0.000 1.021 575 V CA -0.843 60.251 62.300 -2.010 0.000 0.848 575 V CB 0.758 31.653 31.823 -1.547 0.000 0.998 575 V HN 0.730 nan 8.190 nan 0.000 0.424 576 F N 4.437 122.999 119.950 -2.314 0.000 2.087 576 F HA -0.263 4.266 4.527 0.003 0.000 0.299 576 F C 2.485 177.880 175.800 -0.675 0.000 1.100 576 F CA 2.859 60.071 58.000 -1.312 0.000 1.226 576 F CB -0.098 38.559 39.000 -0.573 0.000 0.983 576 F HN 0.623 nan 8.300 nan 0.000 0.479 577 T N -3.051 111.159 114.554 -0.574 0.000 3.035 577 T HA -0.105 4.247 4.350 0.003 0.000 0.268 577 T C 1.318 175.743 174.700 -0.458 0.000 1.109 577 T CA 1.145 63.005 62.100 -0.400 0.000 1.119 577 T CB -0.469 68.328 68.868 -0.118 0.000 0.900 577 T HN 0.202 nan 8.240 nan 0.000 0.503 578 D N 0.987 121.029 120.400 -0.596 0.000 2.349 578 D HA 0.048 4.689 4.640 0.003 0.000 0.224 578 D C 1.910 177.969 176.300 -0.401 0.000 1.029 578 D CA 0.244 53.964 54.000 -0.466 0.000 0.879 578 D CB 0.053 40.568 40.800 -0.475 0.000 0.906 578 D HN 0.346 nan 8.370 nan 0.000 0.528 579 Q N 0.214 119.744 119.800 -0.450 0.000 2.389 579 Q HA 0.157 4.499 4.340 0.003 0.000 0.204 579 Q C 0.693 176.590 176.000 -0.172 0.000 0.944 579 Q CA 0.052 55.719 55.803 -0.227 0.000 0.908 579 Q CB -0.111 28.511 28.738 -0.192 0.000 1.002 579 Q HN 0.145 nan 8.270 nan 0.000 0.493 580 A N 1.269 123.891 122.820 -0.330 0.000 2.511 580 A HA 0.058 4.380 4.320 0.003 0.000 0.242 580 A C 1.238 178.246 177.584 -0.960 0.000 1.069 580 A CA -0.204 51.508 52.037 -0.543 0.000 0.763 580 A CB 0.152 18.963 19.000 -0.316 0.000 1.001 580 A HN 0.270 nan 8.150 nan 0.000 0.498 581 L N 4.070 124.199 121.223 -1.824 0.000 2.012 581 L HA -0.047 4.295 4.340 0.003 0.000 0.210 581 L C -0.784 175.496 176.870 -0.983 0.000 1.073 581 L CA 2.526 56.541 54.840 -1.375 0.000 0.748 581 L CB -1.286 39.689 42.059 -1.807 0.000 0.891 581 L HN 0.534 nan 8.230 nan 0.000 0.431 582 P HA -0.149 nan 4.420 nan 0.000 0.215 582 P C 1.577 178.633 177.300 -0.407 0.000 1.157 582 P CA 2.057 64.791 63.100 -0.611 0.000 0.868 582 P CB -0.209 31.195 31.700 -0.493 0.000 0.788 583 A N -0.142 122.434 122.820 -0.405 0.000 1.902 583 A HA -0.261 4.061 4.320 0.003 0.000 0.217 583 A C 2.195 179.632 177.584 -0.245 0.000 1.181 583 A CA 2.298 54.167 52.037 -0.280 0.000 0.623 583 A CB -1.692 17.143 19.000 -0.274 0.000 0.818 583 A HN 0.208 nan 8.150 nan 0.000 0.443 584 D N -0.199 120.035 120.400 -0.277 0.000 2.097 584 D HA -0.126 4.516 4.640 0.003 0.000 0.195 584 D C 1.799 178.026 176.300 -0.121 0.000 0.989 584 D CA 1.377 55.272 54.000 -0.175 0.000 0.827 584 D CB -0.232 40.489 40.800 -0.131 0.000 0.966 584 D HN 0.420 nan 8.370 nan 0.000 0.456 585 L N -0.014 121.107 121.223 -0.170 0.000 2.083 585 L HA -0.090 4.252 4.340 0.003 0.000 0.209 585 L C 2.587 179.416 176.870 -0.068 0.000 1.083 585 L CA 0.687 55.461 54.840 -0.110 0.000 0.752 585 L CB -0.348 41.595 42.059 -0.193 0.000 0.899 585 L HN 0.180 nan 8.230 nan 0.000 0.433 586 I N -0.218 120.287 120.570 -0.107 0.000 2.252 586 I HA -0.278 3.894 4.170 0.003 0.000 0.245 586 I C 2.713 178.795 176.117 -0.058 0.000 1.102 586 I CA 1.198 62.453 61.300 -0.076 0.000 1.385 586 I CB -0.239 37.704 38.000 -0.096 0.000 1.064 586 I HN 0.227 nan 8.210 nan 0.000 0.414 587 K N 1.324 121.677 120.400 -0.078 0.000 2.057 587 K HA -0.149 4.173 4.320 0.003 0.000 0.207 587 K C 2.041 178.622 176.600 -0.033 0.000 1.049 587 K CA 1.380 57.627 56.287 -0.067 0.000 0.931 587 K CB 0.006 32.447 32.500 -0.098 0.000 0.714 587 K HN 0.216 nan 8.250 nan 0.000 0.440 588 R N -0.606 119.888 120.500 -0.010 0.000 2.323 588 R HA 0.025 4.367 4.340 0.003 0.000 0.198 588 R C 0.716 177.049 176.300 0.056 0.000 0.988 588 R CA 0.553 56.669 56.100 0.027 0.000 1.041 588 R CB 0.155 30.491 30.300 0.060 0.000 0.926 588 R HN 0.507 nan 8.270 nan 0.000 0.476 589 G N 1.154 109.978 108.800 0.039 0.000 2.198 589 G HA2 -0.268 3.693 3.960 0.003 0.000 0.260 589 G HA3 -0.268 3.693 3.960 0.003 0.000 0.260 589 G C 0.585 175.575 174.900 0.151 0.000 1.025 589 G CA 0.490 45.622 45.100 0.053 0.000 0.769 589 G HN 0.348 nan 8.290 nan 0.000 0.507 590 V N -4.410 115.606 119.914 0.171 0.000 3.578 590 V HA 0.821 4.943 4.120 0.003 0.000 0.290 590 V C 0.825 177.015 176.094 0.160 0.000 1.376 590 V CA 0.886 63.342 62.300 0.259 0.000 1.083 590 V CB 0.099 32.095 31.823 0.289 0.000 0.911 590 V HN 1.961 nan 8.190 nan 0.000 0.433 591 A N 1.133 124.000 122.820 0.078 0.000 2.610 591 A HA 0.891 5.213 4.320 0.003 0.000 0.291 591 A C -1.316 176.269 177.584 0.001 0.000 1.086 591 A CA -0.398 51.652 52.037 0.022 0.000 0.677 591 A CB 1.879 20.855 19.000 -0.039 0.000 1.278 591 A HN 0.983 nan 8.150 nan 0.000 0.414 592 I N -1.864 118.701 120.570 -0.008 0.000 2.828 592 I HA 0.660 4.831 4.170 0.003 0.000 0.302 592 I C -0.259 175.842 176.117 -0.026 0.000 1.101 592 I CA -0.907 60.383 61.300 -0.015 0.000 1.031 592 I CB 1.784 39.782 38.000 -0.004 0.000 1.231 592 I HN 0.670 nan 8.210 nan 0.000 0.427 593 K N 2.000 122.382 120.400 -0.030 0.000 2.448 593 K HA 0.182 4.504 4.320 0.003 0.000 0.278 593 K C -1.005 175.584 176.600 -0.019 0.000 1.009 593 K CA 0.390 56.659 56.287 -0.030 0.000 0.995 593 K CB 0.311 32.794 32.500 -0.029 0.000 0.917 593 K HN 0.848 nan 8.250 nan 0.000 0.481 594 D N 5.364 125.754 120.400 -0.017 0.000 2.318 594 D HA 0.207 4.849 4.640 0.003 0.000 0.233 594 D C -2.301 173.992 176.300 -0.012 0.000 1.348 594 D CA -1.742 52.251 54.000 -0.012 0.000 0.983 594 D CB 1.639 42.433 40.800 -0.010 0.000 1.416 594 D HN 0.210 nan 8.370 nan 0.000 0.558 595 P HA -0.124 nan 4.420 nan 0.000 0.219 595 P C 1.312 178.603 177.300 -0.015 0.000 1.146 595 P CA 1.031 64.125 63.100 -0.010 0.000 0.808 595 P CB 0.225 31.921 31.700 -0.007 0.000 0.779 596 S N -1.954 113.737 115.700 -0.015 0.000 2.547 596 S HA -0.037 4.435 4.470 0.003 0.000 0.235 596 S C 0.936 175.520 174.600 -0.028 0.000 0.980 596 S CA 0.584 58.773 58.200 -0.018 0.000 0.941 596 S CB -1.558 61.634 63.200 -0.014 0.000 0.763 596 S HN 0.252 nan 8.310 nan 0.000 0.532 597 T N -1.650 112.885 114.554 -0.032 0.000 2.943 597 T HA 0.546 4.898 4.350 0.003 0.000 0.284 597 T C -2.030 172.617 174.700 -0.088 0.000 1.015 597 T CA -1.876 60.193 62.100 -0.051 0.000 1.042 597 T CB 1.107 69.955 68.868 -0.034 0.000 1.055 597 T HN -0.132 nan 8.240 nan 0.000 0.500 598 P HA -0.132 nan 4.420 nan 0.000 0.214 598 P C 1.116 178.236 177.300 -0.299 0.000 1.163 598 P CA 1.260 64.184 63.100 -0.293 0.000 0.889 598 P CB -0.029 31.378 31.700 -0.488 0.000 0.790 599 H N -2.272 116.796 119.070 -0.002 0.000 2.539 599 H HA 0.295 4.853 4.556 0.003 0.000 0.269 599 H C 1.552 176.870 175.328 -0.016 0.000 0.980 599 H CA 0.992 57.042 56.048 0.002 0.000 1.152 599 H CB -0.297 29.452 29.762 -0.021 0.000 1.407 599 H HN 0.211 nan 8.280 nan 0.000 0.564 600 G N 0.952 109.776 108.800 0.040 0.000 2.179 600 G HA2 -0.292 3.670 3.960 0.003 0.000 0.260 600 G HA3 -0.292 3.670 3.960 0.003 0.000 0.260 600 G C 0.382 175.279 174.900 -0.005 0.000 0.977 600 G CA 0.561 45.670 45.100 0.015 0.000 0.641 600 G HN 0.497 nan 8.290 nan 0.000 0.533 601 V N -3.310 116.604 119.914 0.000 0.000 2.925 601 V HA 0.881 5.002 4.120 0.003 0.000 0.311 601 V C -0.244 175.843 176.094 -0.013 0.000 1.104 601 V CA -1.083 61.200 62.300 -0.028 0.000 0.954 601 V CB 2.003 33.778 31.823 -0.080 0.000 1.022 601 V HN 0.581 nan 8.190 nan 0.000 0.427 602 R N 3.334 123.825 120.500 -0.015 0.000 2.343 602 R HA 0.665 5.006 4.340 0.003 0.000 0.320 602 R C -1.108 175.193 176.300 0.001 0.000 0.956 602 R CA -0.778 55.320 56.100 -0.003 0.000 0.836 602 R CB 1.447 31.748 30.300 0.002 0.000 1.151 602 R HN 0.924 nan 8.270 nan 0.000 0.450 603 L N 5.797 127.021 121.223 0.003 0.000 2.416 603 L HA 0.096 4.437 4.340 0.003 0.000 0.272 603 L C 1.306 178.206 176.870 0.050 0.000 1.161 603 L CA -0.148 54.704 54.840 0.020 0.000 0.845 603 L CB 0.911 42.978 42.059 0.013 0.000 1.119 603 L HN 0.718 nan 8.230 nan 0.000 0.464 604 L N 3.920 125.199 121.223 0.092 0.000 2.509 604 L HA 0.164 4.505 4.340 0.003 0.000 0.222 604 L C 0.457 177.381 176.870 0.090 0.000 1.123 604 L CA 0.615 55.534 54.840 0.131 0.000 0.856 604 L CB 0.157 42.363 42.059 0.245 0.000 0.985 604 L HN 0.525 nan 8.230 nan 0.000 0.456 605 I N -0.159 120.419 120.570 0.013 0.000 2.428 605 I HA 0.048 4.220 4.170 0.003 0.000 0.279 605 I C 1.128 177.243 176.117 -0.003 0.000 1.040 605 I CA -0.098 61.139 61.300 -0.106 0.000 1.171 605 I CB 1.761 39.569 38.000 -0.320 0.000 1.312 605 I HN 0.030 nan 8.210 nan 0.000 0.470 606 E N 3.445 123.639 120.200 -0.010 0.000 2.049 606 E HA -0.269 4.083 4.350 0.003 0.000 0.198 606 E C 0.596 177.209 176.600 0.021 0.000 1.007 606 E CA 1.446 57.852 56.400 0.009 0.000 0.809 606 E CB 0.262 29.963 29.700 0.002 0.000 0.749 606 E HN 0.558 nan 8.360 nan 0.000 0.450 607 D N -0.338 120.065 120.400 0.006 0.000 2.767 607 D HA -0.026 4.615 4.640 0.003 0.000 0.241 607 D C -1.606 174.714 176.300 0.033 0.000 1.187 607 D CA -0.309 53.701 54.000 0.017 0.000 0.999 607 D CB -0.355 40.445 40.800 -0.000 0.000 1.042 607 D HN 0.115 nan 8.370 nan 0.000 0.510 608 Y N 2.763 122.997 120.300 -0.110 0.000 2.717 608 Y HA 0.374 4.925 4.550 0.002 0.000 0.329 608 Y C -1.917 173.899 175.900 -0.140 0.000 1.017 608 Y CA -3.046 54.972 58.100 -0.137 0.000 1.275 608 Y CB 1.110 39.490 38.460 -0.133 0.000 1.109 608 Y HN 0.139 nan 8.280 nan 0.000 0.511 609 P HA -0.299 nan 4.420 nan 0.000 0.215 609 P C 1.353 178.547 177.300 -0.177 0.000 1.163 609 P CA 1.959 64.964 63.100 -0.158 0.000 0.894 609 P CB -0.121 31.285 31.700 -0.490 0.000 0.791 610 Y N 0.636 120.764 120.300 -0.287 0.000 2.128 610 Y HA -0.222 4.329 4.550 0.003 0.000 0.284 610 Y C 2.346 178.169 175.900 -0.128 0.000 1.154 610 Y CA 1.729 59.794 58.100 -0.057 0.000 1.149 610 Y CB -1.233 37.271 38.460 0.073 0.000 0.976 610 Y HN -0.109 nan 8.280 nan 0.000 0.505 611 A N 0.683 122.988 122.820 -0.858 0.000 1.873 611 A HA -0.043 4.279 4.320 0.003 0.000 0.215 611 A C 2.469 179.733 177.584 -0.533 0.000 1.186 611 A CA 2.044 53.496 52.037 -0.974 0.000 0.616 611 A CB -1.555 16.665 19.000 -1.302 0.000 0.823 611 A HN 0.650 nan 8.150 nan 0.000 0.442 612 A N 0.035 122.664 122.820 -0.318 0.000 1.873 612 A HA -0.155 4.167 4.320 0.003 0.000 0.215 612 A C 1.755 179.280 177.584 -0.099 0.000 1.186 612 A CA 1.956 53.902 52.037 -0.152 0.000 0.616 612 A CB -0.595 18.378 19.000 -0.045 0.000 0.823 612 A HN 0.445 nan 8.150 nan 0.000 0.442 613 D N -0.354 120.028 120.400 -0.030 0.000 2.149 613 D HA -0.018 4.623 4.640 0.003 0.000 0.201 613 D C 2.081 178.398 176.300 0.027 0.000 0.972 613 D CA 1.344 55.384 54.000 0.067 0.000 0.835 613 D CB -0.721 40.220 40.800 0.234 0.000 0.966 613 D HN 0.409 nan 8.370 nan 0.000 0.476 614 G N 0.721 109.476 108.800 -0.074 0.000 2.440 614 G HA2 -0.213 3.749 3.960 0.003 0.000 0.218 614 G HA3 -0.213 3.749 3.960 0.003 0.000 0.218 614 G C 1.695 176.540 174.900 -0.092 0.000 1.154 614 G CA 0.304 45.409 45.100 0.008 0.000 0.767 614 G HN 0.256 nan 8.290 nan 0.000 0.552 615 L N 0.230 121.265 121.223 -0.313 0.000 2.131 615 L HA -0.056 4.285 4.340 0.003 0.000 0.210 615 L C 2.925 179.537 176.870 -0.429 0.000 1.092 615 L CA 0.880 55.431 54.840 -0.481 0.000 0.759 615 L CB -0.223 41.429 42.059 -0.678 0.000 0.903 615 L HN 0.160 nan 8.230 nan 0.000 0.435 616 E N 0.108 120.175 120.200 -0.222 0.000 2.047 616 E HA -0.168 4.184 4.350 0.003 0.000 0.191 616 E C 2.281 178.933 176.600 0.086 0.000 0.987 616 E CA 1.079 57.461 56.400 -0.030 0.000 0.799 616 E CB -0.103 29.624 29.700 0.045 0.000 0.752 616 E HN 0.384 nan 8.360 nan 0.000 0.449 617 I N 0.638 121.302 120.570 0.157 0.000 2.252 617 I HA -0.231 3.941 4.170 0.003 0.000 0.245 617 I C 2.398 178.717 176.117 0.337 0.000 1.102 617 I CA 0.841 62.303 61.300 0.270 0.000 1.385 617 I CB -1.267 36.956 38.000 0.372 0.000 1.064 617 I HN 0.316 nan 8.210 nan 0.000 0.414 618 W N 2.570 123.914 121.300 0.073 0.000 2.338 618 W HA -0.264 4.397 4.660 0.002 0.000 0.304 618 W C 2.439 178.939 176.519 -0.031 0.000 1.212 618 W CA 2.316 59.600 57.345 -0.100 0.000 1.264 618 W CB -0.115 29.027 29.460 -0.530 0.000 1.142 618 W HN 0.149 nan 8.180 nan 0.000 0.512 619 A N 0.925 123.806 122.820 0.102 0.000 1.898 619 A HA -0.034 4.288 4.320 0.003 0.000 0.216 619 A C 2.200 179.822 177.584 0.064 0.000 1.181 619 A CA 2.547 54.631 52.037 0.078 0.000 0.620 619 A CB -1.294 17.852 19.000 0.244 0.000 0.819 619 A HN 0.326 nan 8.150 nan 0.000 0.442 620 A N 0.047 122.958 122.820 0.151 0.000 1.902 620 A HA -0.082 4.240 4.320 0.003 0.000 0.217 620 A C 2.096 179.861 177.584 0.302 0.000 1.181 620 A CA 1.548 53.742 52.037 0.262 0.000 0.623 620 A CB -0.618 18.559 19.000 0.295 0.000 0.818 620 A HN 0.495 nan 8.150 nan 0.000 0.443 621 I N -0.597 120.102 120.570 0.215 0.000 2.286 621 I HA -0.251 3.921 4.170 0.003 0.000 0.248 621 I C 2.499 178.506 176.117 -0.183 0.000 1.115 621 I CA 1.763 63.066 61.300 0.005 0.000 1.392 621 I CB -0.232 37.769 38.000 0.003 0.000 1.065 621 I HN 0.358 nan 8.210 nan 0.000 0.418 622 K N 0.694 120.912 120.400 -0.304 0.000 2.032 622 K HA -0.189 4.133 4.320 0.003 0.000 0.209 622 K C 2.105 178.612 176.600 -0.154 0.000 1.048 622 K CA 2.051 58.135 56.287 -0.338 0.000 0.927 622 K CB -0.120 32.140 32.500 -0.400 0.000 0.712 622 K HN 0.210 nan 8.250 nan 0.000 0.441 623 T N 0.805 115.333 114.554 -0.043 0.000 2.720 623 T HA -0.205 4.147 4.350 0.003 0.000 0.268 623 T C 1.213 175.956 174.700 0.072 0.000 1.037 623 T CA 1.448 63.568 62.100 0.034 0.000 1.144 623 T CB -0.399 68.531 68.868 0.102 0.000 0.864 623 T HN 0.539 nan 8.240 nan 0.000 0.444 624 W N 1.686 122.883 121.300 -0.173 0.000 2.355 624 W HA -0.188 4.473 4.660 0.002 0.000 0.309 624 W C 1.737 178.167 176.519 -0.147 0.000 1.206 624 W CA 0.690 57.884 57.345 -0.251 0.000 1.284 624 W CB -0.524 28.416 29.460 -0.867 0.000 1.145 624 W HN 0.041 nan 8.180 nan 0.000 0.502 625 V N 1.716 121.327 119.914 -0.504 0.000 2.343 625 V HA -0.331 3.790 4.120 0.003 0.000 0.247 625 V C 2.493 178.425 176.094 -0.270 0.000 1.051 625 V CA 2.329 64.299 62.300 -0.550 0.000 1.036 625 V CB -1.093 30.492 31.823 -0.396 0.000 0.654 625 V HN 0.260 nan 8.190 nan 0.000 0.451 626 Q N -0.590 119.109 119.800 -0.168 0.000 2.226 626 Q HA -0.248 4.094 4.340 0.003 0.000 0.204 626 Q C 2.284 178.257 176.000 -0.046 0.000 0.975 626 Q CA 1.713 57.464 55.803 -0.087 0.000 0.866 626 Q CB -0.050 28.652 28.738 -0.059 0.000 0.915 626 Q HN 0.725 nan 8.270 nan 0.000 0.440 627 E N -0.636 119.549 120.200 -0.026 0.000 2.190 627 E HA -0.141 4.210 4.350 0.003 0.000 0.191 627 E C 1.478 178.088 176.600 0.016 0.000 0.978 627 E CA 0.202 56.621 56.400 0.031 0.000 0.839 627 E CB 0.101 29.881 29.700 0.133 0.000 0.787 627 E HN 0.349 nan 8.360 nan 0.000 0.473 628 Y N 0.483 120.638 120.300 -0.241 0.000 2.176 628 Y HA -0.157 4.395 4.550 0.003 0.000 0.291 628 Y C 2.059 177.940 175.900 -0.031 0.000 1.122 628 Y CA 1.340 59.296 58.100 -0.240 0.000 1.128 628 Y CB -0.260 37.758 38.460 -0.737 0.000 1.005 628 Y HN -0.142 nan 8.280 nan 0.000 0.509 629 V N 1.446 121.408 119.914 0.079 0.000 2.252 629 V HA -0.290 3.831 4.120 0.003 0.000 0.249 629 V C -0.482 175.680 176.094 0.113 0.000 1.056 629 V CA 2.598 64.979 62.300 0.135 0.000 1.022 629 V CB -1.853 29.999 31.823 0.048 0.000 0.641 629 V HN 0.313 nan 8.190 nan 0.000 0.445 630 P HA -0.150 nan 4.420 nan 0.000 0.218 630 P C 1.713 178.935 177.300 -0.129 0.000 1.146 630 P CA 1.320 64.407 63.100 -0.022 0.000 0.813 630 P CB -0.128 31.550 31.700 -0.037 0.000 0.778 631 L N -3.501 117.562 121.223 -0.267 0.000 2.362 631 L HA -0.126 4.216 4.340 0.003 0.000 0.219 631 L C 1.407 177.736 176.870 -0.901 0.000 1.134 631 L CA 1.382 55.868 54.840 -0.590 0.000 0.807 631 L CB -0.567 41.015 42.059 -0.795 0.000 0.927 631 L HN 0.086 nan 8.230 nan 0.000 0.447 632 Y N -3.209 116.943 120.300 -0.246 0.000 2.432 632 Y HA 0.212 4.764 4.550 0.003 0.000 0.252 632 Y C -0.350 175.193 175.900 -0.594 0.000 1.097 632 Y CA -0.750 57.109 58.100 -0.402 0.000 1.250 632 Y CB 0.567 38.749 38.460 -0.464 0.000 1.245 632 Y HN -0.099 nan 8.280 nan 0.000 0.522 633 Y N -0.759 119.534 120.300 -0.012 0.000 2.333 633 Y HA 0.588 5.139 4.550 0.003 0.000 0.324 633 Y C 0.674 176.553 175.900 -0.035 0.000 1.033 633 Y CA -1.084 57.011 58.100 -0.007 0.000 1.224 633 Y CB 1.416 39.886 38.460 0.016 0.000 1.120 633 Y HN -0.013 nan 8.280 nan 0.000 0.457 634 A N 3.635 126.490 122.820 0.058 0.000 1.930 634 A HA 0.173 4.494 4.320 0.003 0.000 0.215 634 A C 0.972 178.580 177.584 0.041 0.000 1.176 634 A CA 0.956 53.005 52.037 0.021 0.000 0.632 634 A CB 0.134 19.124 19.000 -0.016 0.000 0.819 634 A HN 0.725 nan 8.150 nan 0.000 0.445 635 R N -1.716 118.824 120.500 0.066 0.000 2.905 635 R HA 0.364 4.706 4.340 0.003 0.000 0.260 635 R C -0.488 175.855 176.300 0.073 0.000 1.086 635 R CA -0.594 55.539 56.100 0.054 0.000 0.978 635 R CB 0.592 30.914 30.300 0.037 0.000 1.215 635 R HN -0.001 nan 8.270 nan 0.000 0.480 636 D N 0.885 121.313 120.400 0.046 0.000 2.144 636 D HA -0.131 4.511 4.640 0.003 0.000 0.199 636 D C 0.697 177.031 176.300 0.058 0.000 0.984 636 D CA 1.637 55.661 54.000 0.039 0.000 0.834 636 D CB -0.070 40.744 40.800 0.024 0.000 0.955 636 D HN 0.491 nan 8.370 nan 0.000 0.465 637 D N 0.759 121.195 120.400 0.059 0.000 2.182 637 D HA -0.119 4.523 4.640 0.003 0.000 0.201 637 D C 1.397 177.755 176.300 0.096 0.000 0.986 637 D CA 0.831 54.870 54.000 0.065 0.000 0.847 637 D CB -0.077 40.753 40.800 0.049 0.000 0.942 637 D HN 0.171 nan 8.370 nan 0.000 0.467 638 D N -0.294 120.183 120.400 0.127 0.000 2.264 638 D HA -0.065 4.576 4.640 0.003 0.000 0.208 638 D C 2.000 178.500 176.300 0.333 0.000 0.966 638 D CA 0.382 54.499 54.000 0.195 0.000 0.864 638 D CB 0.178 41.095 40.800 0.196 0.000 0.933 638 D HN 0.162 nan 8.370 nan 0.000 0.499 639 V N 0.827 120.882 119.914 0.236 0.000 2.446 639 V HA -0.119 4.003 4.120 0.003 0.000 0.244 639 V C 2.414 178.581 176.094 0.121 0.000 1.039 639 V CA 0.968 63.337 62.300 0.114 0.000 1.045 639 V CB -0.265 31.508 31.823 -0.085 0.000 0.681 639 V HN 0.089 nan 8.190 nan 0.000 0.459 640 K N 0.794 121.253 120.400 0.099 0.000 2.147 640 K HA -0.166 4.156 4.320 0.003 0.000 0.205 640 K C 1.487 178.158 176.600 0.118 0.000 1.049 640 K CA 1.973 58.317 56.287 0.094 0.000 0.936 640 K CB -0.208 32.335 32.500 0.071 0.000 0.722 640 K HN 0.576 nan 8.250 nan 0.000 0.446 641 N N 0.690 119.466 118.700 0.128 0.000 2.398 641 N HA -0.060 4.682 4.740 0.003 0.000 0.188 641 N C -0.551 175.047 175.510 0.146 0.000 1.122 641 N CA -0.214 52.908 53.050 0.120 0.000 0.866 641 N CB 0.290 38.832 38.487 0.092 0.000 0.970 641 N HN 0.135 nan 8.380 nan 0.000 0.462 642 D N 0.654 121.178 120.400 0.206 0.000 2.374 642 D HA 0.041 4.683 4.640 0.003 0.000 0.240 642 D C 0.860 177.297 176.300 0.228 0.000 1.229 642 D CA 0.118 54.266 54.000 0.246 0.000 0.895 642 D CB 1.059 42.100 40.800 0.400 0.000 1.046 642 D HN -0.066 nan 8.370 nan 0.000 0.498 643 S N 3.577 119.376 115.700 0.165 0.000 2.370 643 S HA -0.191 4.280 4.470 0.003 0.000 0.226 643 S C 1.508 176.186 174.600 0.131 0.000 1.033 643 S CA 1.339 59.615 58.200 0.127 0.000 1.011 643 S CB 0.068 63.269 63.200 0.001 0.000 0.852 643 S HN 0.583 nan 8.310 nan 0.000 0.457 644 E N 0.019 120.307 120.200 0.146 0.000 2.047 644 E HA -0.121 4.231 4.350 0.003 0.000 0.191 644 E C 2.095 178.849 176.600 0.256 0.000 0.987 644 E CA 1.223 57.728 56.400 0.175 0.000 0.799 644 E CB -0.277 29.522 29.700 0.164 0.000 0.752 644 E HN 0.372 nan 8.360 nan 0.000 0.449 645 L N 1.321 122.703 121.223 0.265 0.000 2.042 645 L HA -0.236 4.106 4.340 0.003 0.000 0.210 645 L C 2.186 179.329 176.870 0.456 0.000 1.076 645 L CA 1.714 56.748 54.840 0.323 0.000 0.749 645 L CB -0.250 41.990 42.059 0.301 0.000 0.893 645 L HN 0.061 nan 8.230 nan 0.000 0.432 646 Q N -1.158 118.857 119.800 0.359 0.000 2.119 646 Q HA -0.200 4.141 4.340 0.003 0.000 0.201 646 Q C 2.262 178.414 176.000 0.255 0.000 0.972 646 Q CA 1.663 57.653 55.803 0.312 0.000 0.847 646 Q CB -0.506 28.388 28.738 0.259 0.000 0.903 646 Q HN 0.622 nan 8.270 nan 0.000 0.433 647 H N -1.086 118.031 119.070 0.079 0.000 2.389 647 H HA -0.122 4.436 4.556 0.003 0.000 0.299 647 H C 1.475 176.648 175.328 -0.258 0.000 1.081 647 H CA 1.304 57.261 56.048 -0.151 0.000 1.345 647 H CB -0.406 29.243 29.762 -0.188 0.000 1.393 647 H HN 0.370 nan 8.280 nan 0.000 0.520 648 W N 0.411 121.704 121.300 -0.011 0.000 2.353 648 W HA -0.223 4.439 4.660 0.003 0.000 0.319 648 W C 2.381 178.980 176.519 0.134 0.000 1.207 648 W CA 1.463 58.869 57.345 0.102 0.000 1.291 648 W CB -0.856 28.721 29.460 0.195 0.000 1.159 648 W HN 0.311 nan 8.180 nan 0.000 0.478 649 W N 1.998 123.178 121.300 -0.199 0.000 2.358 649 W HA -0.239 4.423 4.660 0.003 0.000 0.303 649 W C 2.290 178.560 176.519 -0.415 0.000 1.208 649 W CA 2.004 59.040 57.345 -0.514 0.000 1.274 649 W CB -0.530 28.802 29.460 -0.214 0.000 1.138 649 W HN -0.030 nan 8.180 nan 0.000 0.515 650 K N 0.716 120.952 120.400 -0.273 0.000 2.063 650 K HA -0.271 4.051 4.320 0.003 0.000 0.208 650 K C 2.040 178.344 176.600 -0.492 0.000 1.048 650 K CA 1.966 58.014 56.287 -0.398 0.000 0.928 650 K CB -0.455 31.874 32.500 -0.284 0.000 0.713 650 K HN 0.138 nan 8.250 nan 0.000 0.442 651 E N -0.351 119.599 120.200 -0.416 0.000 2.072 651 E HA -0.130 4.221 4.350 0.003 0.000 0.190 651 E C 1.831 178.136 176.600 -0.493 0.000 0.982 651 E CA 0.766 56.954 56.400 -0.353 0.000 0.803 651 E CB -0.082 29.549 29.700 -0.116 0.000 0.755 651 E HN 0.417 nan 8.360 nan 0.000 0.453 652 A N 0.549 123.022 122.820 -0.578 0.000 1.917 652 A HA -0.191 4.131 4.320 0.003 0.000 0.219 652 A C 2.334 179.389 177.584 -0.881 0.000 1.182 652 A CA 1.815 53.434 52.037 -0.697 0.000 0.633 652 A CB -0.668 17.848 19.000 -0.807 0.000 0.819 652 A HN 0.223 nan 8.150 nan 0.000 0.448 653 V N -0.312 118.912 119.914 -1.150 0.000 2.302 653 V HA -0.174 3.948 4.120 0.003 0.000 0.243 653 V C 2.281 177.874 176.094 -0.835 0.000 1.036 653 V CA 1.953 63.458 62.300 -1.325 0.000 1.020 653 V CB -0.913 29.833 31.823 -1.795 0.000 0.657 653 V HN 0.628 nan 8.190 nan 0.000 0.453 654 E N -0.081 119.718 120.200 -0.669 0.000 2.274 654 E HA -0.126 4.225 4.350 0.003 0.000 0.194 654 E C 1.926 178.292 176.600 -0.390 0.000 0.996 654 E CA 0.697 56.827 56.400 -0.450 0.000 0.840 654 E CB 0.081 29.562 29.700 -0.365 0.000 0.772 654 E HN 0.450 nan 8.360 nan 0.000 0.491 655 K N -0.460 119.637 120.400 -0.505 0.000 2.309 655 K HA 0.115 4.437 4.320 0.003 0.000 0.210 655 K C 2.164 178.323 176.600 -0.734 0.000 1.114 655 K CA 0.825 56.758 56.287 -0.591 0.000 0.912 655 K CB -0.798 31.257 32.500 -0.742 0.000 1.198 655 K HN 0.111 nan 8.250 nan 0.000 0.471 656 G N 1.800 110.053 108.800 -0.911 0.000 2.491 656 G HA2 -0.220 3.741 3.960 0.003 0.000 0.218 656 G HA3 -0.220 3.741 3.960 0.003 0.000 0.218 656 G C 0.974 175.540 174.900 -0.556 0.000 1.180 656 G CA 0.918 45.587 45.100 -0.718 0.000 0.774 656 G HN 0.307 nan 8.290 nan 0.000 0.562 657 H N 0.420 119.275 119.070 -0.360 0.000 2.481 657 H HA 0.248 4.806 4.556 0.003 0.000 0.273 657 H C 2.154 177.471 175.328 -0.018 0.000 1.145 657 H CA 0.171 56.183 56.048 -0.059 0.000 0.964 657 H CB 0.332 30.203 29.762 0.182 0.000 1.722 657 H HN 0.325 nan 8.280 nan 0.000 0.573 658 G N 0.606 109.352 108.800 -0.090 0.000 2.475 658 G HA2 -0.264 3.698 3.960 0.003 0.000 0.220 658 G HA3 -0.264 3.698 3.960 0.003 0.000 0.220 658 G C 1.233 176.154 174.900 0.036 0.000 1.125 658 G CA 0.575 45.619 45.100 -0.093 0.000 0.755 658 G HN 0.350 nan 8.290 nan 0.000 0.565 659 D N 0.079 120.568 120.400 0.148 0.000 2.350 659 D HA 0.002 4.644 4.640 0.003 0.000 0.216 659 D C 1.875 178.295 176.300 0.200 0.000 0.968 659 D CA 0.500 54.614 54.000 0.190 0.000 0.894 659 D CB 0.151 41.123 40.800 0.286 0.000 0.909 659 D HN 0.357 nan 8.370 nan 0.000 0.520 660 L N 0.416 121.796 121.223 0.262 0.000 3.014 660 L HA 0.160 4.502 4.340 0.003 0.000 0.263 660 L C 1.882 178.925 176.870 0.289 0.000 1.207 660 L CA -0.168 54.837 54.840 0.276 0.000 1.017 660 L CB 0.317 42.635 42.059 0.432 0.000 1.360 660 L HN -0.078 nan 8.230 nan 0.000 0.560 661 K N -0.109 120.358 120.400 0.112 0.000 2.360 661 K HA -0.167 4.155 4.320 0.003 0.000 0.201 661 K C 1.073 177.648 176.600 -0.042 0.000 1.046 661 K CA 1.548 57.795 56.287 -0.066 0.000 0.945 661 K CB -0.166 32.223 32.500 -0.184 0.000 0.750 661 K HN 0.301 nan 8.250 nan 0.000 0.464 662 D N 0.823 121.213 120.400 -0.016 0.000 2.355 662 D HA -0.057 4.585 4.640 0.003 0.000 0.218 662 D C -0.116 176.126 176.300 -0.098 0.000 1.004 662 D CA 0.298 54.272 54.000 -0.045 0.000 0.880 662 D CB 0.030 40.816 40.800 -0.024 0.000 0.911 662 D HN -0.028 nan 8.370 nan 0.000 0.528 663 K N 1.500 121.781 120.400 -0.198 0.000 2.326 663 K HA 0.162 4.483 4.320 0.003 0.000 0.275 663 K C -1.611 174.665 176.600 -0.540 0.000 1.018 663 K CA -1.703 54.264 56.287 -0.533 0.000 0.962 663 K CB 0.876 32.631 32.500 -1.242 0.000 0.953 663 K HN -0.046 nan 8.250 nan 0.000 0.475 664 P HA -0.062 nan 4.420 nan 0.000 0.225 664 P C 0.864 178.105 177.300 -0.098 0.000 1.156 664 P CA 0.839 63.834 63.100 -0.174 0.000 0.787 664 P CB 0.001 31.669 31.700 -0.052 0.000 0.802 665 W N -2.397 118.899 121.300 -0.008 0.000 3.077 665 W HA 0.094 4.756 4.660 0.003 0.000 0.245 665 W C -0.407 176.135 176.519 0.038 0.000 1.316 665 W CA -0.898 56.423 57.345 -0.040 0.000 1.537 665 W CB -1.422 27.945 29.460 -0.154 0.000 1.131 665 W HN -0.114 nan 8.180 nan 0.000 0.695 666 W N 3.892 125.266 121.300 0.122 0.000 2.308 666 W HA 0.200 4.862 4.660 0.003 0.000 0.324 666 W C -1.740 174.971 176.519 0.318 0.000 1.387 666 W CA -1.534 55.977 57.345 0.277 0.000 1.250 666 W CB -0.131 29.337 29.460 0.012 0.000 1.257 666 W HN -0.377 nan 8.180 nan 0.000 0.554 667 P HA -0.045 nan 4.420 nan 0.000 0.269 667 P C 0.555 178.089 177.300 0.391 0.000 1.209 667 P CA -0.014 63.332 63.100 0.411 0.000 0.776 667 P CB 0.825 32.699 31.700 0.291 0.000 0.876 668 K N 1.706 122.232 120.400 0.211 0.000 2.305 668 K HA 0.062 4.384 4.320 0.003 0.000 0.199 668 K C 0.670 177.316 176.600 0.078 0.000 1.047 668 K CA 0.072 56.465 56.287 0.176 0.000 0.976 668 K CB -0.601 31.967 32.500 0.114 0.000 0.765 668 K HN 0.326 nan 8.250 nan 0.000 0.474 669 L N 1.600 122.779 121.223 -0.074 0.000 3.548 669 L HA -0.205 4.137 4.340 0.003 0.000 0.443 669 L C -0.046 176.796 176.870 -0.048 0.000 1.286 669 L CA 0.575 55.308 54.840 -0.177 0.000 0.863 669 L CB -0.749 41.070 42.059 -0.399 0.000 1.734 669 L HN 0.175 nan 8.230 nan 0.000 0.873 670 Q N -0.926 118.865 119.800 -0.015 0.000 2.171 670 Q HA 0.399 4.741 4.340 0.003 0.000 0.218 670 Q C 0.738 176.738 176.000 0.001 0.000 0.822 670 Q CA 0.878 56.688 55.803 0.013 0.000 0.987 670 Q CB 1.019 29.777 28.738 0.033 0.000 1.144 670 Q HN 0.757 nan 8.270 nan 0.000 0.494 671 T N -4.044 110.494 114.554 -0.026 0.000 2.883 671 T HA 0.542 4.894 4.350 0.003 0.000 0.296 671 T C 1.020 175.684 174.700 -0.060 0.000 1.117 671 T CA -0.709 61.376 62.100 -0.025 0.000 1.006 671 T CB 0.947 69.808 68.868 -0.012 0.000 1.191 671 T HN -0.063 nan 8.240 nan 0.000 0.508 672 L N 0.478 121.673 121.223 -0.046 0.000 2.046 672 L HA -0.022 4.319 4.340 0.003 0.000 0.208 672 L C 2.967 179.794 176.870 -0.071 0.000 1.077 672 L CA 1.812 56.612 54.840 -0.068 0.000 0.747 672 L CB -0.495 41.549 42.059 -0.025 0.000 0.896 672 L HN 0.918 nan 8.230 nan 0.000 0.432 673 E N 0.382 120.556 120.200 -0.044 0.000 2.070 673 E HA -0.287 4.065 4.350 0.003 0.000 0.197 673 E C 1.662 178.234 176.600 -0.047 0.000 1.004 673 E CA 1.934 58.312 56.400 -0.036 0.000 0.805 673 E CB 0.077 29.768 29.700 -0.015 0.000 0.744 673 E HN 0.412 nan 8.360 nan 0.000 0.451 674 D N 0.081 120.448 120.400 -0.054 0.000 2.117 674 D HA -0.150 4.492 4.640 0.003 0.000 0.197 674 D C 1.875 178.097 176.300 -0.131 0.000 0.987 674 D CA 0.637 54.593 54.000 -0.073 0.000 0.829 674 D CB -0.250 40.503 40.800 -0.079 0.000 0.961 674 D HN 0.162 nan 8.370 nan 0.000 0.460 675 L N 0.324 121.453 121.223 -0.155 0.000 2.046 675 L HA -0.131 4.210 4.340 0.003 0.000 0.208 675 L C 2.109 178.902 176.870 -0.129 0.000 1.077 675 L CA 1.383 56.116 54.840 -0.178 0.000 0.747 675 L CB -0.578 41.330 42.059 -0.251 0.000 0.896 675 L HN -0.078 nan 8.230 nan 0.000 0.432 676 V N 0.075 119.919 119.914 -0.116 0.000 2.287 676 V HA -0.332 3.789 4.120 0.003 0.000 0.248 676 V C 2.617 178.651 176.094 -0.100 0.000 1.053 676 V CA 2.083 64.315 62.300 -0.113 0.000 1.027 676 V CB -0.713 31.049 31.823 -0.101 0.000 0.646 676 V HN 0.661 nan 8.190 nan 0.000 0.447 677 E N 0.430 120.592 120.200 -0.063 0.000 2.038 677 E HA -0.236 4.116 4.350 0.003 0.000 0.195 677 E C 2.209 178.829 176.600 0.034 0.000 1.000 677 E CA 2.426 58.817 56.400 -0.015 0.000 0.803 677 E CB -0.139 29.577 29.700 0.027 0.000 0.750 677 E HN 0.542 nan 8.360 nan 0.000 0.448 678 V N -0.282 119.658 119.914 0.044 0.000 2.343 678 V HA -0.272 3.850 4.120 0.003 0.000 0.247 678 V C 2.442 178.640 176.094 0.172 0.000 1.051 678 V CA 1.814 64.215 62.300 0.168 0.000 1.036 678 V CB -1.158 30.552 31.823 -0.188 0.000 0.654 678 V HN 0.445 nan 8.190 nan 0.000 0.451 679 C N 0.147 119.481 119.300 0.057 0.000 2.440 679 C HA 0.026 4.488 4.460 0.003 0.000 0.278 679 C C 2.653 177.615 174.990 -0.046 0.000 1.295 679 C CA 1.144 60.174 59.018 0.021 0.000 1.738 679 C CB -1.146 26.550 27.740 -0.073 0.000 1.987 679 C HN 0.721 nan 8.230 nan 0.000 0.492 680 L N 1.162 122.318 121.223 -0.112 0.000 2.046 680 L HA -0.066 4.275 4.340 0.003 0.000 0.208 680 L C 2.166 178.975 176.870 -0.102 0.000 1.077 680 L CA 1.927 56.629 54.840 -0.230 0.000 0.747 680 L CB -0.724 41.095 42.059 -0.401 0.000 0.896 680 L HN 0.326 nan 8.230 nan 0.000 0.432 681 I N -0.858 119.725 120.570 0.022 0.000 2.252 681 I HA -0.301 3.871 4.170 0.003 0.000 0.245 681 I C 2.459 178.695 176.117 0.197 0.000 1.102 681 I CA 1.441 62.821 61.300 0.133 0.000 1.385 681 I CB -0.264 37.628 38.000 -0.179 0.000 1.064 681 I HN 0.246 nan 8.210 nan 0.000 0.414 682 I N 0.839 121.514 120.570 0.174 0.000 2.163 682 I HA -0.320 3.852 4.170 0.003 0.000 0.243 682 I C 2.484 178.691 176.117 0.149 0.000 1.085 682 I CA 1.766 63.181 61.300 0.191 0.000 1.347 682 I CB -0.254 37.859 38.000 0.188 0.000 1.044 682 I HN 0.161 nan 8.210 nan 0.000 0.408 683 I N -0.182 120.402 120.570 0.024 0.000 2.286 683 I HA -0.324 3.848 4.170 0.003 0.000 0.248 683 I C 2.468 178.599 176.117 0.024 0.000 1.115 683 I CA 1.359 62.557 61.300 -0.169 0.000 1.392 683 I CB -0.473 37.310 38.000 -0.361 0.000 1.065 683 I HN 0.544 nan 8.210 nan 0.000 0.418 684 W N 2.272 123.581 121.300 0.014 0.000 2.355 684 W HA -0.209 4.453 4.660 0.003 0.000 0.309 684 W C 2.248 178.885 176.519 0.198 0.000 1.206 684 W CA 1.538 58.977 57.345 0.157 0.000 1.284 684 W CB -0.302 29.364 29.460 0.344 0.000 1.145 684 W HN 0.051 nan 8.180 nan 0.000 0.502 685 I N 1.603 122.243 120.570 0.116 0.000 2.163 685 I HA -0.307 3.865 4.170 0.003 0.000 0.243 685 I C 2.757 178.892 176.117 0.031 0.000 1.085 685 I CA 1.847 63.178 61.300 0.051 0.000 1.347 685 I CB -1.005 37.147 38.000 0.254 0.000 1.044 685 I HN -0.020 nan 8.210 nan 0.000 0.408 686 A N 0.173 123.048 122.820 0.092 0.000 2.014 686 A HA -0.127 4.195 4.320 0.003 0.000 0.218 686 A C 2.318 179.960 177.584 0.096 0.000 1.163 686 A CA 1.854 53.953 52.037 0.103 0.000 0.652 686 A CB -0.403 18.716 19.000 0.199 0.000 0.808 686 A HN 0.546 nan 8.150 nan 0.000 0.449 687 S N -0.820 114.917 115.700 0.060 0.000 2.696 687 S HA 0.458 4.930 4.470 0.003 0.000 0.172 687 S C 2.168 176.778 174.600 0.017 0.000 0.767 687 S CA 0.695 58.955 58.200 0.100 0.000 0.856 687 S CB -0.914 62.374 63.200 0.148 0.000 0.782 687 S HN 0.757 nan 8.310 nan 0.000 0.582 688 A N 1.467 124.195 122.820 -0.154 0.000 1.877 688 A HA 0.078 4.400 4.320 0.003 0.000 0.216 688 A C 2.302 179.611 177.584 -0.459 0.000 1.186 688 A CA 1.700 53.556 52.037 -0.301 0.000 0.620 688 A CB -1.172 17.594 19.000 -0.389 0.000 0.822 688 A HN 0.546 nan 8.150 nan 0.000 0.443 689 L N -0.504 120.201 121.223 -0.863 0.000 1.989 689 L HA -0.219 4.122 4.340 0.003 0.000 0.211 689 L C 2.459 179.279 176.870 -0.084 0.000 1.071 689 L CA 2.823 57.385 54.840 -0.464 0.000 0.749 689 L CB -0.887 40.908 42.059 -0.441 0.000 0.890 689 L HN 0.657 nan 8.230 nan 0.000 0.431 690 H N -0.481 118.532 119.070 -0.096 0.000 2.353 690 H HA -0.142 4.415 4.556 0.003 0.000 0.300 690 H C 1.897 177.275 175.328 0.083 0.000 1.090 690 H CA 1.606 57.666 56.048 0.021 0.000 1.327 690 H CB 0.183 29.946 29.762 0.002 0.000 1.383 690 H HN 0.485 nan 8.280 nan 0.000 0.508 691 A N 1.342 124.203 122.820 0.069 0.000 1.908 691 A HA -0.112 4.210 4.320 0.003 0.000 0.218 691 A C 2.734 180.406 177.584 0.147 0.000 1.181 691 A CA 1.927 54.119 52.037 0.258 0.000 0.627 691 A CB -1.144 18.049 19.000 0.323 0.000 0.818 691 A HN 0.593 nan 8.150 nan 0.000 0.445 692 A N -0.301 122.570 122.820 0.084 0.000 1.972 692 A HA 0.006 4.328 4.320 0.003 0.000 0.219 692 A C 2.130 179.732 177.584 0.030 0.000 1.169 692 A CA 2.135 54.233 52.037 0.103 0.000 0.635 692 A CB -0.907 18.238 19.000 0.243 0.000 0.810 692 A HN 1.222 nan 8.150 nan 0.000 0.446 693 V N -4.003 115.891 119.914 -0.034 0.000 3.650 693 V HA 0.151 4.273 4.120 0.003 0.000 0.271 693 V C 1.748 177.762 176.094 -0.134 0.000 1.281 693 V CA 1.678 63.983 62.300 0.008 0.000 1.120 693 V CB -0.891 30.965 31.823 0.055 0.000 0.856 693 V HN 0.669 nan 8.190 nan 0.000 0.443 694 H N -0.204 118.572 119.070 -0.490 0.000 2.422 694 H HA 0.288 4.846 4.556 0.003 0.000 0.303 694 H C 1.546 176.499 175.328 -0.625 0.000 1.033 694 H CA 1.063 56.631 56.048 -0.800 0.000 1.335 694 H CB 0.116 29.086 29.762 -1.320 0.000 1.458 694 H HN 0.338 nan 8.280 nan 0.000 0.556 695 F N 0.250 120.228 119.950 0.047 0.000 2.802 695 F HA 0.186 4.714 4.527 0.003 0.000 0.300 695 F C 2.169 178.013 175.800 0.073 0.000 1.168 695 F CA 0.836 58.865 58.000 0.048 0.000 1.433 695 F CB 0.189 39.189 39.000 0.001 0.000 1.115 695 F HN 0.290 nan 8.300 nan 0.000 0.582 696 G N -1.244 107.661 108.800 0.174 0.000 3.088 696 G HA2 0.007 3.968 3.960 0.003 0.000 0.217 696 G HA3 0.007 3.968 3.960 0.003 0.000 0.217 696 G C 1.316 176.353 174.900 0.227 0.000 1.159 696 G CA -0.102 45.221 45.100 0.372 0.000 0.760 696 G HN 0.259 nan 8.290 nan 0.000 0.550 697 Q N -0.455 119.379 119.800 0.057 0.000 2.014 697 Q HA -0.214 4.128 4.340 0.003 0.000 0.207 697 Q C 1.997 178.044 176.000 0.078 0.000 0.993 697 Q CA 1.722 57.543 55.803 0.031 0.000 0.850 697 Q CB -0.254 28.457 28.738 -0.046 0.000 0.916 697 Q HN 0.593 nan 8.270 nan 0.000 0.417 698 Y N 0.723 121.032 120.300 0.015 0.000 2.286 698 Y HA -0.059 4.492 4.550 0.003 0.000 0.293 698 Y C -0.979 174.907 175.900 -0.023 0.000 1.124 698 Y CA 0.841 58.949 58.100 0.014 0.000 1.178 698 Y CB -0.642 37.844 38.460 0.043 0.000 1.010 698 Y HN 0.080 nan 8.280 nan 0.000 0.536 699 P HA -0.202 nan 4.420 nan 0.000 0.216 699 P C 0.677 177.730 177.300 -0.412 0.000 1.150 699 P CA 2.032 65.001 63.100 -0.218 0.000 0.843 699 P CB -0.121 31.251 31.700 -0.547 0.000 0.787 700 Y N -2.033 118.176 120.300 -0.152 0.000 2.500 700 Y HA 0.281 4.833 4.550 0.002 0.000 0.284 700 Y C 2.545 178.314 175.900 -0.218 0.000 1.118 700 Y CA 1.095 59.102 58.100 -0.156 0.000 1.241 700 Y CB -0.991 37.427 38.460 -0.071 0.000 1.171 700 Y HN -0.130 nan 8.280 nan 0.000 0.540 701 G N -0.925 107.834 108.800 -0.067 0.000 2.985 701 G HA2 0.048 4.010 3.960 0.003 0.000 0.209 701 G HA3 0.048 4.010 3.960 0.003 0.000 0.209 701 G C 1.801 176.487 174.900 -0.358 0.000 1.165 701 G CA 0.548 45.547 45.100 -0.170 0.000 0.776 701 G HN 0.462 nan 8.290 nan 0.000 0.541 702 G N 0.198 108.620 108.800 -0.631 0.000 2.535 702 G HA2 0.042 4.004 3.960 0.003 0.000 0.218 702 G HA3 0.042 4.004 3.960 0.003 0.000 0.218 702 G C 0.521 175.058 174.900 -0.605 0.000 1.122 702 G CA 0.194 44.662 45.100 -1.053 0.000 0.769 702 G HN 0.399 nan 8.290 nan 0.000 0.549 703 L N 0.686 121.623 121.223 -0.475 0.000 2.277 703 L HA 0.509 4.851 4.340 0.003 0.000 0.284 703 L C 1.157 177.734 176.870 -0.489 0.000 1.028 703 L CA -0.780 53.790 54.840 -0.450 0.000 0.835 703 L CB 1.280 43.053 42.059 -0.477 0.000 1.215 703 L HN -0.038 nan 8.230 nan 0.000 0.425 704 I N 4.352 124.649 120.570 -0.456 0.000 2.335 704 I HA -0.247 3.925 4.170 0.003 0.000 0.251 704 I C 1.794 177.654 176.117 -0.429 0.000 1.129 704 I CA 1.757 62.828 61.300 -0.381 0.000 1.402 704 I CB 0.017 37.846 38.000 -0.285 0.000 1.069 704 I HN 0.822 nan 8.210 nan 0.000 0.424 705 M N -0.298 118.905 119.600 -0.663 0.000 2.279 705 M HA -0.156 4.326 4.480 0.003 0.000 0.264 705 M C 1.948 177.768 176.300 -0.800 0.000 1.062 705 M CA 1.502 56.335 55.300 -0.779 0.000 1.099 705 M CB -0.723 30.918 32.600 -1.598 0.000 1.394 705 M HN 0.249 nan 8.290 nan 0.000 0.426 706 N N 0.269 118.489 118.700 -0.800 0.000 2.300 706 N HA -0.028 4.714 4.740 0.003 0.000 0.179 706 N C -0.037 175.393 175.510 -0.134 0.000 1.016 706 N CA 0.857 53.696 53.050 -0.351 0.000 0.876 706 N CB 0.440 38.774 38.487 -0.255 0.000 0.979 706 N HN -0.003 nan 8.380 nan 0.000 0.432 707 R N 0.614 121.001 120.500 -0.189 0.000 2.681 707 R HA 0.329 4.671 4.340 0.003 0.000 0.277 707 R C -2.681 173.526 176.300 -0.154 0.000 1.563 707 R CA -1.692 54.338 56.100 -0.116 0.000 1.673 707 R CB 0.889 31.133 30.300 -0.094 0.000 1.258 707 R HN 0.271 nan 8.270 nan 0.000 0.650 708 P HA 0.012 nan 4.420 nan 0.000 0.268 708 P C 0.776 177.943 177.300 -0.222 0.000 1.205 708 P CA 0.256 63.233 63.100 -0.205 0.000 0.771 708 P CB 0.871 32.442 31.700 -0.215 0.000 0.858 709 T N -0.614 113.731 114.554 -0.349 0.000 3.060 709 T HA 0.471 4.823 4.350 0.003 0.000 0.249 709 T C 0.574 175.050 174.700 -0.373 0.000 1.079 709 T CA 0.148 61.887 62.100 -0.602 0.000 1.013 709 T CB 0.075 68.202 68.868 -1.234 0.000 0.975 709 T HN 0.639 nan 8.240 nan 0.000 0.518 710 A N 0.876 123.557 122.820 -0.233 0.000 2.608 710 A HA 0.716 5.038 4.320 0.003 0.000 0.292 710 A C -0.887 176.628 177.584 -0.114 0.000 1.066 710 A CA -0.790 51.174 52.037 -0.122 0.000 0.676 710 A CB 1.204 20.134 19.000 -0.118 0.000 1.277 710 A HN 0.596 nan 8.150 nan 0.000 0.413 711 S N -0.122 115.550 115.700 -0.048 0.000 2.536 711 S HA 0.704 5.176 4.470 0.003 0.000 0.287 711 S C -0.098 174.509 174.600 0.011 0.000 1.101 711 S CA -0.860 57.316 58.200 -0.040 0.000 0.950 711 S CB 1.923 65.160 63.200 0.062 0.000 1.056 711 S HN 0.713 nan 8.310 nan 0.000 0.481 712 R N 0.498 120.999 120.500 0.002 0.000 2.437 712 R HA 0.284 4.626 4.340 0.003 0.000 0.257 712 R C 0.269 176.589 176.300 0.033 0.000 0.927 712 R CA -0.066 56.040 56.100 0.010 0.000 1.078 712 R CB 0.401 30.692 30.300 -0.014 0.000 1.161 712 R HN 0.815 nan 8.270 nan 0.000 0.529 713 R N -0.407 120.139 120.500 0.078 0.000 2.690 713 R HA 0.339 4.681 4.340 0.003 0.000 0.269 713 R C -1.123 175.275 176.300 0.164 0.000 1.037 713 R CA -0.850 55.299 56.100 0.081 0.000 0.877 713 R CB 0.907 31.251 30.300 0.072 0.000 1.255 713 R HN -0.156 nan 8.270 nan 0.000 0.467 714 L N 1.154 122.406 121.223 0.049 0.000 2.488 714 L HA 0.426 4.768 4.340 0.003 0.000 0.249 714 L C 0.535 177.535 176.870 0.217 0.000 1.151 714 L CA -1.251 53.580 54.840 -0.016 0.000 0.806 714 L CB 0.296 42.236 42.059 -0.198 0.000 1.261 714 L HN 0.406 nan 8.230 nan 0.000 0.484 715 L N 1.863 123.258 121.223 0.287 0.000 2.485 715 L HA 0.141 4.482 4.340 0.003 0.000 0.275 715 L C -1.836 175.161 176.870 0.211 0.000 1.207 715 L CA -1.419 53.587 54.840 0.277 0.000 0.855 715 L CB -0.009 42.199 42.059 0.248 0.000 1.114 715 L HN 0.401 nan 8.230 nan 0.000 0.485 716 P HA 0.144 nan 4.420 nan 0.000 0.277 716 P C -0.933 176.545 177.300 0.296 0.000 1.240 716 P CA -0.578 62.652 63.100 0.216 0.000 0.798 716 P CB 0.986 32.806 31.700 0.201 0.000 0.979 717 E N 1.776 122.104 120.200 0.214 0.000 2.331 717 E HA 0.150 4.502 4.350 0.003 0.000 0.272 717 E C 0.224 176.873 176.600 0.083 0.000 1.036 717 E CA -0.335 56.151 56.400 0.143 0.000 0.864 717 E CB 0.818 30.563 29.700 0.075 0.000 1.035 717 E HN 0.336 nan 8.360 nan 0.000 0.408 718 K N -0.027 120.259 120.400 -0.190 0.000 2.440 718 K HA 0.134 4.456 4.320 0.003 0.000 0.270 718 K C 0.974 177.414 176.600 -0.266 0.000 0.980 718 K CA 0.895 56.767 56.287 -0.691 0.000 0.953 718 K CB 0.203 32.297 32.500 -0.675 0.000 0.925 718 K HN 0.788 nan 8.250 nan 0.000 0.497 719 G N 0.831 109.498 108.800 -0.221 0.000 2.159 719 G HA2 -0.273 3.689 3.960 0.003 0.000 0.256 719 G HA3 -0.273 3.689 3.960 0.003 0.000 0.256 719 G C 0.148 175.053 174.900 0.009 0.000 0.977 719 G CA 0.617 45.675 45.100 -0.070 0.000 0.652 719 G HN 0.742 nan 8.290 nan 0.000 0.531 720 T N -2.739 111.854 114.554 0.064 0.000 2.950 720 T HA 0.760 5.111 4.350 0.003 0.000 0.288 720 T C -0.917 173.854 174.700 0.120 0.000 1.035 720 T CA -1.064 61.090 62.100 0.090 0.000 1.028 720 T CB 3.053 71.985 68.868 0.107 0.000 1.109 720 T HN -0.067 nan 8.240 nan 0.000 0.514 721 P HA -0.043 nan 4.420 nan 0.000 0.218 721 P C 0.914 178.273 177.300 0.099 0.000 1.149 721 P CA 1.040 64.191 63.100 0.086 0.000 0.817 721 P CB 0.213 31.949 31.700 0.060 0.000 0.785 722 E N -0.770 119.494 120.200 0.106 0.000 2.110 722 E HA -0.194 4.158 4.350 0.003 0.000 0.193 722 E C 2.084 178.752 176.600 0.114 0.000 0.988 722 E CA 1.079 57.538 56.400 0.099 0.000 0.804 722 E CB -1.212 28.549 29.700 0.101 0.000 0.745 722 E HN 0.318 nan 8.360 nan 0.000 0.458 723 Y N 1.467 121.801 120.300 0.056 0.000 2.200 723 Y HA -0.165 4.387 4.550 0.003 0.000 0.290 723 Y C 1.906 177.837 175.900 0.053 0.000 1.137 723 Y CA 1.350 59.486 58.100 0.059 0.000 1.163 723 Y CB 0.246 38.738 38.460 0.053 0.000 0.988 723 Y HN -0.049 nan 8.280 nan 0.000 0.518 724 E N 0.358 120.696 120.200 0.231 0.000 2.110 724 E HA -0.250 4.102 4.350 0.003 0.000 0.193 724 E C 2.056 178.697 176.600 0.068 0.000 0.988 724 E CA 1.350 57.841 56.400 0.152 0.000 0.804 724 E CB -0.326 29.446 29.700 0.120 0.000 0.745 724 E HN 0.686 nan 8.360 nan 0.000 0.458 725 E N 0.367 120.597 120.200 0.050 0.000 2.077 725 E HA -0.160 4.191 4.350 0.003 0.000 0.193 725 E C 2.123 178.725 176.600 0.003 0.000 0.989 725 E CA 0.897 57.312 56.400 0.025 0.000 0.800 725 E CB -0.011 29.706 29.700 0.029 0.000 0.746 725 E HN 0.185 nan 8.360 nan 0.000 0.452 726 M N 0.288 119.864 119.600 -0.040 0.000 2.108 726 M HA -0.208 4.273 4.480 0.003 0.000 0.261 726 M C 2.321 178.600 176.300 -0.035 0.000 1.066 726 M CA 1.428 56.689 55.300 -0.064 0.000 1.107 726 M CB -0.298 32.173 32.600 -0.215 0.000 1.356 726 M HN 0.243 nan 8.290 nan 0.000 0.406 727 I N 0.189 120.731 120.570 -0.047 0.000 2.163 727 I HA -0.296 3.876 4.170 0.003 0.000 0.240 727 I C 1.915 178.052 176.117 0.032 0.000 1.081 727 I CA 1.151 62.452 61.300 0.001 0.000 1.353 727 I CB -0.545 37.481 38.000 0.042 0.000 1.054 727 I HN 0.359 nan 8.210 nan 0.000 0.407 728 N N 0.384 119.104 118.700 0.033 0.000 2.416 728 N HA -0.054 4.688 4.740 0.003 0.000 0.177 728 N C 0.446 175.968 175.510 0.020 0.000 1.036 728 N CA 0.665 53.734 53.050 0.032 0.000 0.901 728 N CB -0.074 38.431 38.487 0.029 0.000 0.976 728 N HN 0.241 nan 8.380 nan 0.000 0.444 729 N N 0.564 119.268 118.700 0.006 0.000 2.722 729 N HA -0.012 4.730 4.740 0.003 0.000 0.242 729 N C 0.675 176.124 175.510 -0.101 0.000 1.398 729 N CA -0.194 52.816 53.050 -0.067 0.000 0.755 729 N CB -0.005 38.445 38.487 -0.062 0.000 1.268 729 N HN 0.212 nan 8.380 nan 0.000 0.522 730 H N 0.289 119.298 119.070 -0.102 0.000 2.421 730 H HA 0.037 4.595 4.556 0.003 0.000 0.298 730 H C 0.447 175.689 175.328 -0.143 0.000 1.087 730 H CA 1.122 57.114 56.048 -0.093 0.000 1.330 730 H CB 0.361 30.073 29.762 -0.083 0.000 1.388 730 H HN 0.450 nan 8.280 nan 0.000 0.526 731 E N 0.779 120.418 120.200 -0.935 0.000 2.072 731 E HA -0.138 4.214 4.350 0.003 0.000 0.191 731 E C 2.242 178.630 176.600 -0.354 0.000 0.985 731 E CA 1.039 56.850 56.400 -0.981 0.000 0.801 731 E CB 0.099 28.983 29.700 -1.360 0.000 0.750 731 E HN 0.270 nan 8.360 nan 0.000 0.452 732 K N 1.298 121.549 120.400 -0.248 0.000 2.097 732 K HA -0.059 4.262 4.320 0.003 0.000 0.205 732 K C 1.803 178.409 176.600 0.010 0.000 1.050 732 K CA 1.270 57.514 56.287 -0.072 0.000 0.938 732 K CB -0.276 32.191 32.500 -0.054 0.000 0.718 732 K HN 0.079 nan 8.250 nan 0.000 0.442 733 A N -0.441 122.385 122.820 0.010 0.000 1.933 733 A HA -0.153 4.168 4.320 0.003 0.000 0.218 733 A C 2.200 179.839 177.584 0.091 0.000 1.175 733 A CA 1.509 53.577 52.037 0.051 0.000 0.628 733 A CB -0.924 18.108 19.000 0.054 0.000 0.814 733 A HN 0.517 nan 8.150 nan 0.000 0.444 734 Y N 0.383 120.700 120.300 0.029 0.000 2.163 734 Y HA -0.112 4.440 4.550 0.003 0.000 0.288 734 Y C 2.004 177.955 175.900 0.084 0.000 1.136 734 Y CA 1.879 60.034 58.100 0.091 0.000 1.147 734 Y CB -0.220 38.407 38.460 0.278 0.000 0.987 734 Y HN 0.209 nan 8.280 nan 0.000 0.509 735 L N -0.246 121.145 121.223 0.281 0.000 2.131 735 L HA -0.211 4.130 4.340 0.003 0.000 0.210 735 L C 2.407 179.322 176.870 0.075 0.000 1.092 735 L CA 1.372 56.332 54.840 0.200 0.000 0.759 735 L CB -0.463 41.747 42.059 0.252 0.000 0.903 735 L HN 0.131 nan 8.230 nan 0.000 0.435 736 R N -0.966 119.561 120.500 0.046 0.000 2.189 736 R HA -0.061 4.281 4.340 0.003 0.000 0.218 736 R C 2.151 178.434 176.300 -0.028 0.000 1.074 736 R CA 1.360 57.471 56.100 0.017 0.000 0.991 736 R CB -0.265 30.050 30.300 0.026 0.000 0.883 736 R HN 0.316 nan 8.270 nan 0.000 0.457 737 T N 1.452 115.954 114.554 -0.087 0.000 2.894 737 T HA 0.062 4.414 4.350 0.003 0.000 0.258 737 T C 1.220 175.791 174.700 -0.216 0.000 1.043 737 T CA 0.654 62.661 62.100 -0.154 0.000 1.141 737 T CB -0.040 68.668 68.868 -0.268 0.000 0.873 737 T HN 0.219 nan 8.240 nan 0.000 0.449 738 I N 0.167 120.569 120.570 -0.281 0.000 3.244 738 I HA 0.360 4.532 4.170 0.003 0.000 0.314 738 I C 0.066 176.097 176.117 -0.143 0.000 1.043 738 I CA -1.070 60.074 61.300 -0.261 0.000 1.099 738 I CB -0.052 37.742 38.000 -0.344 0.000 1.449 738 I HN -0.165 nan 8.210 nan 0.000 0.625 739 T N 2.300 116.764 114.554 -0.151 0.000 2.830 739 T HA -0.070 4.282 4.350 0.003 0.000 0.282 739 T C 0.349 175.008 174.700 -0.069 0.000 1.024 739 T CA 0.253 62.276 62.100 -0.129 0.000 1.144 739 T CB -0.112 68.653 68.868 -0.173 0.000 1.035 739 T HN 0.675 nan 8.240 nan 0.000 0.507 740 S N 1.186 116.826 115.700 -0.100 0.000 2.589 740 S HA 0.112 4.584 4.470 0.003 0.000 0.265 740 S C 1.653 176.124 174.600 -0.216 0.000 1.342 740 S CA -0.661 57.463 58.200 -0.127 0.000 1.005 740 S CB 0.624 63.733 63.200 -0.150 0.000 0.909 740 S HN 0.827 nan 8.310 nan 0.000 0.555 741 K N 1.297 121.439 120.400 -0.430 0.000 2.044 741 K HA -0.166 4.156 4.320 0.003 0.000 0.210 741 K C 1.941 178.239 176.600 -0.504 0.000 1.049 741 K CA 1.747 57.565 56.287 -0.782 0.000 0.927 741 K CB -0.370 31.471 32.500 -1.098 0.000 0.713 741 K HN 0.567 nan 8.250 nan 0.000 0.443 742 L N 1.761 122.583 121.223 -0.669 0.000 1.970 742 L HA -0.089 4.253 4.340 0.003 0.000 0.212 742 L C -1.281 175.311 176.870 -0.463 0.000 1.071 742 L CA 1.798 56.085 54.840 -0.920 0.000 0.751 742 L CB -1.142 40.189 42.059 -1.214 0.000 0.889 742 L HN 0.152 nan 8.230 nan 0.000 0.432 743 P HA -0.126 nan 4.420 nan 0.000 0.219 743 P C 1.474 178.682 177.300 -0.154 0.000 1.146 743 P CA 1.653 64.638 63.100 -0.191 0.000 0.808 743 P CB -0.266 31.335 31.700 -0.164 0.000 0.779 744 T N 0.752 115.209 114.554 -0.163 0.000 2.708 744 T HA -0.077 4.274 4.350 0.003 0.000 0.266 744 T C 1.961 176.608 174.700 -0.089 0.000 1.037 744 T CA 1.084 63.129 62.100 -0.092 0.000 1.146 744 T CB -0.819 68.087 68.868 0.062 0.000 0.865 744 T HN 0.065 nan 8.240 nan 0.000 0.435 745 L N 0.564 121.699 121.223 -0.146 0.000 2.042 745 L HA -0.116 4.226 4.340 0.003 0.000 0.210 745 L C 2.478 179.379 176.870 0.051 0.000 1.076 745 L CA 0.922 55.679 54.840 -0.138 0.000 0.749 745 L CB -0.616 41.136 42.059 -0.513 0.000 0.893 745 L HN 0.255 nan 8.230 nan 0.000 0.432 746 I N -0.783 119.799 120.570 0.020 0.000 2.142 746 I HA -0.277 3.894 4.170 0.003 0.000 0.240 746 I C 2.795 179.025 176.117 0.189 0.000 1.078 746 I CA 1.487 62.905 61.300 0.197 0.000 1.343 746 I CB -1.244 36.829 38.000 0.121 0.000 1.046 746 I HN 0.213 nan 8.210 nan 0.000 0.405 747 S N 0.799 116.554 115.700 0.093 0.000 2.359 747 S HA -0.130 4.342 4.470 0.003 0.000 0.224 747 S C 2.167 176.853 174.600 0.145 0.000 1.035 747 S CA 1.201 59.458 58.200 0.095 0.000 1.018 747 S CB -0.271 62.916 63.200 -0.022 0.000 0.876 747 S HN 0.335 nan 8.310 nan 0.000 0.448 748 L N 0.880 122.176 121.223 0.121 0.000 2.042 748 L HA -0.116 4.226 4.340 0.003 0.000 0.210 748 L C 2.713 179.854 176.870 0.451 0.000 1.076 748 L CA 1.441 56.402 54.840 0.202 0.000 0.749 748 L CB -0.715 41.294 42.059 -0.083 0.000 0.893 748 L HN 0.307 nan 8.230 nan 0.000 0.432 749 S N -0.630 115.382 115.700 0.519 0.000 2.356 749 S HA -0.183 4.288 4.470 0.003 0.000 0.223 749 S C 1.955 176.707 174.600 0.253 0.000 1.032 749 S CA 1.333 59.811 58.200 0.463 0.000 1.005 749 S CB -0.347 63.182 63.200 0.548 0.000 0.867 749 S HN 0.263 nan 8.310 nan 0.000 0.449 750 V N 3.438 123.489 119.914 0.228 0.000 2.307 750 V HA -0.120 4.001 4.120 0.003 0.000 0.245 750 V C 2.046 178.233 176.094 0.156 0.000 1.045 750 V CA 1.829 64.225 62.300 0.161 0.000 1.024 750 V CB -0.531 31.377 31.823 0.142 0.000 0.651 750 V HN 0.670 nan 8.190 nan 0.000 0.449 751 I N -1.967 118.720 120.570 0.196 0.000 2.614 751 I HA -0.148 4.023 4.170 0.003 0.000 0.258 751 I C 2.259 178.505 176.117 0.216 0.000 1.189 751 I CA 2.065 63.478 61.300 0.188 0.000 1.462 751 I CB -0.682 37.438 38.000 0.199 0.000 1.092 751 I HN 0.421 nan 8.210 nan 0.000 0.442 752 E N 1.979 122.308 120.200 0.215 0.000 2.072 752 E HA -0.169 4.183 4.350 0.003 0.000 0.191 752 E C 2.292 178.868 176.600 -0.039 0.000 0.985 752 E CA 1.368 57.727 56.400 -0.069 0.000 0.801 752 E CB -0.038 29.511 29.700 -0.250 0.000 0.750 752 E HN 0.640 nan 8.360 nan 0.000 0.452 753 I N 1.093 121.671 120.570 0.014 0.000 2.127 753 I HA -0.323 3.849 4.170 0.003 0.000 0.241 753 I C 2.459 178.631 176.117 0.092 0.000 1.075 753 I CA 1.038 62.354 61.300 0.028 0.000 1.334 753 I CB -0.282 37.745 38.000 0.044 0.000 1.040 753 I HN 0.196 nan 8.210 nan 0.000 0.405 754 L N -0.078 121.215 121.223 0.115 0.000 2.083 754 L HA -0.181 4.161 4.340 0.003 0.000 0.209 754 L C 2.368 179.368 176.870 0.217 0.000 1.083 754 L CA 1.191 56.140 54.840 0.181 0.000 0.752 754 L CB -0.640 41.458 42.059 0.066 0.000 0.899 754 L HN 0.181 nan 8.230 nan 0.000 0.433 755 S N -1.255 114.507 115.700 0.103 0.000 2.603 755 S HA -0.024 4.448 4.470 0.003 0.000 0.229 755 S C 0.766 175.525 174.600 0.265 0.000 0.972 755 S CA 0.348 58.651 58.200 0.171 0.000 0.935 755 S CB -0.327 62.978 63.200 0.175 0.000 0.769 755 S HN 0.353 nan 8.310 nan 0.000 0.536 756 T N 2.712 117.391 114.554 0.208 0.000 2.799 756 T HA 0.225 4.577 4.350 0.003 0.000 0.286 756 T C -0.339 174.479 174.700 0.197 0.000 0.973 756 T CA -0.392 61.798 62.100 0.150 0.000 1.035 756 T CB 0.493 69.411 68.868 0.084 0.000 0.932 756 T HN 0.198 nan 8.240 nan 0.000 0.469 757 H N 1.797 120.986 119.070 0.197 0.000 2.620 757 H HA 0.468 5.026 4.556 0.003 0.000 0.313 757 H C 0.453 175.835 175.328 0.088 0.000 1.075 757 H CA -0.513 55.605 56.048 0.118 0.000 1.397 757 H CB 0.831 30.624 29.762 0.052 0.000 1.446 757 H HN 0.791 nan 8.280 nan 0.000 0.493 758 A N 2.459 125.396 122.820 0.195 0.000 2.445 758 A HA 0.088 4.409 4.320 0.003 0.000 0.242 758 A C 1.471 179.121 177.584 0.109 0.000 1.075 758 A CA 0.205 52.301 52.037 0.098 0.000 0.777 758 A CB 0.198 19.225 19.000 0.044 0.000 1.013 758 A HN 0.842 nan 8.150 nan 0.000 0.493 759 S N 0.206 115.958 115.700 0.088 0.000 2.481 759 S HA -0.108 4.363 4.470 0.003 0.000 0.231 759 S C 0.621 175.278 174.600 0.094 0.000 0.996 759 S CA 1.140 59.396 58.200 0.093 0.000 0.942 759 S CB -0.289 62.953 63.200 0.071 0.000 0.768 759 S HN 0.798 nan 8.310 nan 0.000 0.520 760 D N 0.384 120.842 120.400 0.097 0.000 2.427 760 D HA 0.223 4.864 4.640 0.003 0.000 0.224 760 D C 0.234 176.568 176.300 0.057 0.000 1.157 760 D CA -0.435 53.622 54.000 0.096 0.000 0.828 760 D CB -0.327 40.556 40.800 0.139 0.000 0.974 760 D HN 0.398 nan 8.370 nan 0.000 0.498 761 E N 0.130 120.333 120.200 0.005 0.000 2.404 761 E HA 0.223 4.574 4.350 0.003 0.000 0.261 761 E C -0.899 175.576 176.600 -0.208 0.000 1.074 761 E CA -0.393 55.906 56.400 -0.169 0.000 0.917 761 E CB 1.088 30.527 29.700 -0.435 0.000 0.965 761 E HN -0.058 nan 8.360 nan 0.000 0.433 762 V N 5.355 125.112 119.914 -0.261 0.000 2.350 762 V HA 0.266 4.387 4.120 0.003 0.000 0.285 762 V C -0.804 175.150 176.094 -0.234 0.000 1.014 762 V CA -0.606 61.607 62.300 -0.144 0.000 0.831 762 V CB 0.213 31.982 31.823 -0.090 0.000 1.000 762 V HN 0.606 nan 8.190 nan 0.000 0.433 763 Y N 3.103 123.360 120.300 -0.071 0.000 2.334 763 Y HA 0.483 5.034 4.550 0.003 0.000 0.325 763 Y C 0.361 176.229 175.900 -0.052 0.000 1.308 763 Y CA -0.857 57.195 58.100 -0.081 0.000 1.389 763 Y CB 0.831 39.209 38.460 -0.137 0.000 1.328 763 Y HN 0.457 nan 8.280 nan 0.000 0.532 764 L N 1.924 123.233 121.223 0.142 0.000 2.540 764 L HA 0.242 4.584 4.340 0.003 0.000 0.276 764 L C 1.035 177.838 176.870 -0.112 0.000 1.212 764 L CA 1.539 56.437 54.840 0.097 0.000 0.893 764 L CB -0.295 41.824 42.059 0.099 0.000 1.138 764 L HN 0.879 nan 8.230 nan 0.000 0.491 765 G N 2.606 111.307 108.800 -0.165 0.000 2.175 765 G HA2 -0.206 3.756 3.960 0.003 0.000 0.244 765 G HA3 -0.206 3.756 3.960 0.003 0.000 0.244 765 G C 0.200 174.971 174.900 -0.214 0.000 0.982 765 G CA 0.270 45.049 45.100 -0.535 0.000 0.641 765 G HN 0.643 nan 8.290 nan 0.000 0.527 766 Q N -0.644 119.241 119.800 0.141 0.000 2.458 766 Q HA 0.820 5.162 4.340 0.003 0.000 0.282 766 Q C -0.186 175.918 176.000 0.174 0.000 1.106 766 Q CA -1.014 54.915 55.803 0.210 0.000 0.814 766 Q CB 1.950 30.744 28.738 0.093 0.000 1.425 766 Q HN 0.228 nan 8.270 nan 0.000 0.437 767 R N 0.639 121.163 120.500 0.041 0.000 2.808 767 R HA 0.144 4.486 4.340 0.003 0.000 0.272 767 R C -0.460 175.801 176.300 -0.066 0.000 0.995 767 R CA -0.461 55.520 56.100 -0.199 0.000 0.917 767 R CB 1.363 31.348 30.300 -0.526 0.000 1.217 767 R HN 0.807 nan 8.270 nan 0.000 0.471 768 D N -0.806 119.553 120.400 -0.068 0.000 2.363 768 D HA -0.052 4.589 4.640 0.003 0.000 0.220 768 D C 0.010 176.340 176.300 0.050 0.000 0.994 768 D CA 0.596 54.601 54.000 0.008 0.000 0.890 768 D CB 0.290 41.104 40.800 0.023 0.000 0.906 768 D HN 0.209 nan 8.370 nan 0.000 0.530 769 N N -0.249 118.493 118.700 0.070 0.000 2.425 769 N HA 0.124 4.866 4.740 0.003 0.000 0.289 769 N C -2.408 173.208 175.510 0.178 0.000 1.074 769 N CA -1.331 51.789 53.050 0.117 0.000 0.905 769 N CB 2.407 40.987 38.487 0.155 0.000 1.586 769 N HN -0.250 nan 8.380 nan 0.000 0.490 770 P HA -0.009 nan 4.420 nan 0.000 0.234 770 P C -0.041 177.125 177.300 -0.223 0.000 1.167 770 P CA 0.912 63.980 63.100 -0.054 0.000 0.763 770 P CB 0.189 31.746 31.700 -0.239 0.000 0.835 771 H N -0.957 118.161 119.070 0.080 0.000 2.469 771 H HA 0.088 4.646 4.556 0.003 0.000 0.286 771 H C 1.507 176.781 175.328 -0.090 0.000 1.106 771 H CA -0.453 55.552 56.048 -0.071 0.000 1.055 771 H CB -0.518 29.215 29.762 -0.048 0.000 1.618 771 H HN 0.389 nan 8.280 nan 0.000 0.559 772 W N 0.866 122.184 121.300 0.030 0.000 2.387 772 W HA -0.030 4.632 4.660 0.003 0.000 0.272 772 W C -0.130 176.396 176.519 0.012 0.000 1.224 772 W CA 0.746 58.096 57.345 0.009 0.000 1.210 772 W CB -0.579 28.852 29.460 -0.049 0.000 1.125 772 W HN 0.058 nan 8.180 nan 0.000 0.572 773 T N -0.093 114.104 114.554 -0.595 0.000 2.894 773 T HA 0.293 4.645 4.350 0.003 0.000 0.309 773 T C 0.799 175.260 174.700 -0.399 0.000 1.208 773 T CA 0.138 61.947 62.100 -0.485 0.000 1.016 773 T CB 1.603 70.075 68.868 -0.660 0.000 1.192 773 T HN -0.026 nan 8.240 nan 0.000 0.491 774 S N 1.442 116.997 115.700 -0.242 0.000 2.524 774 S HA 0.163 4.634 4.470 0.003 0.000 0.216 774 S C 0.148 174.682 174.600 -0.110 0.000 0.987 774 S CA -0.122 57.989 58.200 -0.147 0.000 0.909 774 S CB -0.089 63.074 63.200 -0.061 0.000 0.781 774 S HN 0.698 nan 8.310 nan 0.000 0.521 775 D N 3.500 123.820 120.400 -0.134 0.000 2.342 775 D HA 0.183 4.825 4.640 0.003 0.000 0.260 775 D C 1.264 177.509 176.300 -0.092 0.000 1.278 775 D CA 0.258 54.202 54.000 -0.094 0.000 0.910 775 D CB 1.326 42.097 40.800 -0.048 0.000 1.079 775 D HN 0.437 nan 8.370 nan 0.000 0.496 776 S N 2.742 118.406 115.700 -0.059 0.000 2.400 776 S HA -0.218 4.253 4.470 0.003 0.000 0.232 776 S C 1.513 176.122 174.600 0.014 0.000 1.025 776 S CA 0.790 58.975 58.200 -0.024 0.000 0.993 776 S CB 0.042 63.234 63.200 -0.015 0.000 0.808 776 S HN 0.359 nan 8.310 nan 0.000 0.478 777 K N 1.426 121.823 120.400 -0.004 0.000 2.057 777 K HA 0.122 4.443 4.320 0.003 0.000 0.206 777 K C 2.586 179.260 176.600 0.123 0.000 1.050 777 K CA 1.111 57.413 56.287 0.024 0.000 0.935 777 K CB -0.496 31.971 32.500 -0.056 0.000 0.715 777 K HN 0.495 nan 8.250 nan 0.000 0.439 778 A N 1.437 124.339 122.820 0.137 0.000 1.898 778 A HA -0.106 4.216 4.320 0.003 0.000 0.216 778 A C 2.099 179.989 177.584 0.511 0.000 1.181 778 A CA 1.119 53.393 52.037 0.396 0.000 0.620 778 A CB -0.594 18.649 19.000 0.405 0.000 0.819 778 A HN 0.143 nan 8.150 nan 0.000 0.442 779 L N -0.972 120.382 121.223 0.219 0.000 2.083 779 L HA -0.262 4.079 4.340 0.003 0.000 0.209 779 L C 2.868 179.938 176.870 0.333 0.000 1.083 779 L CA 1.627 56.621 54.840 0.256 0.000 0.752 779 L CB -0.585 41.494 42.059 0.034 0.000 0.899 779 L HN 0.494 nan 8.230 nan 0.000 0.433 780 Q N -0.437 119.507 119.800 0.241 0.000 2.119 780 Q HA -0.145 4.197 4.340 0.003 0.000 0.201 780 Q C 2.439 178.597 176.000 0.264 0.000 0.972 780 Q CA 1.527 57.450 55.803 0.200 0.000 0.847 780 Q CB -0.207 28.611 28.738 0.132 0.000 0.903 780 Q HN 0.545 nan 8.270 nan 0.000 0.433 781 A N 0.233 123.286 122.820 0.388 0.000 1.930 781 A HA -0.179 4.142 4.320 0.003 0.000 0.217 781 A C 1.821 179.723 177.584 0.529 0.000 1.175 781 A CA 0.991 53.329 52.037 0.502 0.000 0.627 781 A CB -0.667 18.727 19.000 0.656 0.000 0.815 781 A HN 0.461 nan 8.150 nan 0.000 0.443 782 F N 0.574 120.744 119.950 0.367 0.000 2.186 782 F HA -0.128 4.401 4.527 0.003 0.000 0.299 782 F C 2.302 178.099 175.800 -0.005 0.000 1.090 782 F CA 2.002 59.930 58.000 -0.120 0.000 1.307 782 F CB -0.335 38.714 39.000 0.082 0.000 1.019 782 F HN 0.323 nan 8.300 nan 0.000 0.489 783 Q N 0.863 120.679 119.800 0.026 0.000 2.119 783 Q HA -0.162 4.180 4.340 0.003 0.000 0.201 783 Q C 2.098 178.032 176.000 -0.110 0.000 0.972 783 Q CA 1.847 57.596 55.803 -0.090 0.000 0.847 783 Q CB -0.234 28.530 28.738 0.044 0.000 0.903 783 Q HN 0.374 nan 8.270 nan 0.000 0.433 784 K N -0.764 119.642 120.400 0.010 0.000 2.057 784 K HA -0.129 4.192 4.320 0.003 0.000 0.206 784 K C 1.907 178.517 176.600 0.017 0.000 1.050 784 K CA 1.162 57.470 56.287 0.034 0.000 0.935 784 K CB -0.360 32.210 32.500 0.116 0.000 0.715 784 K HN 0.216 nan 8.250 nan 0.000 0.439 785 F N 1.695 121.528 119.950 -0.194 0.000 2.095 785 F HA -0.147 4.382 4.527 0.002 0.000 0.298 785 F C 2.069 177.658 175.800 -0.352 0.000 1.104 785 F CA 1.824 59.659 58.000 -0.274 0.000 1.232 785 F CB -0.973 37.704 39.000 -0.538 0.000 0.987 785 F HN 0.001 nan 8.300 nan 0.000 0.475 786 G N 0.233 108.655 108.800 -0.631 0.000 2.422 786 G HA2 -0.303 3.658 3.960 0.003 0.000 0.218 786 G HA3 -0.303 3.658 3.960 0.003 0.000 0.218 786 G C 1.582 176.251 174.900 -0.385 0.000 1.146 786 G CA 0.912 45.624 45.100 -0.646 0.000 0.769 786 G HN 0.378 nan 8.290 nan 0.000 0.547 787 N N 0.620 119.169 118.700 -0.251 0.000 2.188 787 N HA -0.068 4.674 4.740 0.003 0.000 0.184 787 N C 2.044 177.468 175.510 -0.143 0.000 1.018 787 N CA 1.209 54.163 53.050 -0.161 0.000 0.858 787 N CB -0.229 38.201 38.487 -0.095 0.000 0.989 787 N HN 0.247 nan 8.380 nan 0.000 0.426 788 K N 1.463 121.786 120.400 -0.129 0.000 2.057 788 K HA 0.053 4.375 4.320 0.003 0.000 0.207 788 K C 1.977 178.497 176.600 -0.133 0.000 1.049 788 K CA 0.781 57.021 56.287 -0.079 0.000 0.931 788 K CB -0.394 32.113 32.500 0.011 0.000 0.714 788 K HN 0.106 nan 8.250 nan 0.000 0.440 789 L N 0.332 121.399 121.223 -0.260 0.000 2.083 789 L HA -0.162 4.179 4.340 0.003 0.000 0.209 789 L C 2.284 179.029 176.870 -0.208 0.000 1.083 789 L CA 1.440 56.120 54.840 -0.267 0.000 0.752 789 L CB -0.318 41.478 42.059 -0.439 0.000 0.899 789 L HN 0.148 nan 8.230 nan 0.000 0.433 790 K N -0.167 120.108 120.400 -0.209 0.000 2.097 790 K HA -0.230 4.091 4.320 0.003 0.000 0.206 790 K C 2.054 178.567 176.600 -0.144 0.000 1.049 790 K CA 1.410 57.592 56.287 -0.175 0.000 0.933 790 K CB -0.082 32.323 32.500 -0.159 0.000 0.717 790 K HN 0.300 nan 8.250 nan 0.000 0.442 791 E N 1.130 121.259 120.200 -0.118 0.000 2.072 791 E HA -0.180 4.171 4.350 0.003 0.000 0.191 791 E C 1.922 178.471 176.600 -0.085 0.000 0.985 791 E CA 0.946 57.294 56.400 -0.086 0.000 0.801 791 E CB 0.021 29.686 29.700 -0.058 0.000 0.750 791 E HN 0.246 nan 8.360 nan 0.000 0.452 792 I N 0.938 121.455 120.570 -0.087 0.000 2.252 792 I HA -0.235 3.936 4.170 0.003 0.000 0.245 792 I C 2.600 178.637 176.117 -0.132 0.000 1.102 792 I CA 1.247 62.504 61.300 -0.072 0.000 1.385 792 I CB -0.248 37.725 38.000 -0.044 0.000 1.064 792 I HN 0.231 nan 8.210 nan 0.000 0.414 793 E N 1.057 121.141 120.200 -0.194 0.000 2.085 793 E HA -0.264 4.088 4.350 0.003 0.000 0.194 793 E C 2.005 178.395 176.600 -0.350 0.000 0.994 793 E CA 1.383 57.577 56.400 -0.343 0.000 0.801 793 E CB 0.074 29.573 29.700 -0.335 0.000 0.743 793 E HN 0.476 nan 8.360 nan 0.000 0.453 794 E N 0.310 120.382 120.200 -0.213 0.000 2.110 794 E HA -0.223 4.129 4.350 0.003 0.000 0.193 794 E C 2.066 178.591 176.600 -0.124 0.000 0.988 794 E CA 0.965 57.270 56.400 -0.158 0.000 0.804 794 E CB -0.051 29.587 29.700 -0.102 0.000 0.745 794 E HN 0.134 nan 8.360 nan 0.000 0.458 795 K N 0.988 121.328 120.400 -0.101 0.000 2.057 795 K HA -0.116 4.205 4.320 0.003 0.000 0.206 795 K C 2.133 178.708 176.600 -0.041 0.000 1.050 795 K CA 0.830 57.087 56.287 -0.050 0.000 0.935 795 K CB 0.023 32.508 32.500 -0.024 0.000 0.715 795 K HN 0.082 nan 8.250 nan 0.000 0.439 796 L N 0.593 121.761 121.223 -0.091 0.000 2.093 796 L HA -0.146 4.196 4.340 0.003 0.000 0.208 796 L C 2.345 179.222 176.870 0.012 0.000 1.085 796 L CA 0.694 55.523 54.840 -0.019 0.000 0.755 796 L CB -0.401 41.626 42.059 -0.052 0.000 0.904 796 L HN 0.045 nan 8.230 nan 0.000 0.435 797 V N -0.027 119.791 119.914 -0.160 0.000 2.343 797 V HA -0.249 3.872 4.120 0.003 0.000 0.247 797 V C 2.644 178.768 176.094 0.050 0.000 1.051 797 V CA 1.624 63.916 62.300 -0.014 0.000 1.036 797 V CB -0.586 31.179 31.823 -0.096 0.000 0.654 797 V HN 0.420 nan 8.190 nan 0.000 0.451 798 R N -0.351 120.156 120.500 0.012 0.000 2.096 798 R HA -0.104 4.238 4.340 0.003 0.000 0.235 798 R C 2.546 178.879 176.300 0.056 0.000 1.127 798 R CA 1.290 57.407 56.100 0.029 0.000 0.968 798 R CB -0.297 30.009 30.300 0.011 0.000 0.861 798 R HN 0.497 nan 8.270 nan 0.000 0.440 799 R N 0.291 120.835 120.500 0.072 0.000 2.073 799 R HA -0.055 4.287 4.340 0.003 0.000 0.234 799 R C 1.905 178.275 176.300 0.117 0.000 1.134 799 R CA 1.219 57.374 56.100 0.093 0.000 0.952 799 R CB -0.280 30.087 30.300 0.111 0.000 0.850 799 R HN 0.215 nan 8.270 nan 0.000 0.433 800 N N 0.659 119.454 118.700 0.158 0.000 2.289 800 N HA -0.099 4.642 4.740 0.003 0.000 0.184 800 N C 0.967 176.550 175.510 0.122 0.000 1.016 800 N CA 0.975 54.125 53.050 0.167 0.000 0.872 800 N CB -0.192 38.430 38.487 0.224 0.000 0.973 800 N HN 0.221 nan 8.380 nan 0.000 0.433 801 N N 0.756 119.516 118.700 0.101 0.000 2.412 801 N HA -0.063 4.678 4.740 0.003 0.000 0.184 801 N C -0.276 175.270 175.510 0.060 0.000 1.101 801 N CA 0.197 53.292 53.050 0.076 0.000 0.881 801 N CB -0.008 38.517 38.487 0.064 0.000 0.969 801 N HN 0.187 nan 8.380 nan 0.000 0.459 802 D N 1.371 121.808 120.400 0.062 0.000 2.338 802 D HA 0.106 4.748 4.640 0.003 0.000 0.255 802 D C -1.612 174.718 176.300 0.049 0.000 1.237 802 D CA -1.952 52.078 54.000 0.050 0.000 0.883 802 D CB 1.508 42.337 40.800 0.049 0.000 1.087 802 D HN 0.014 nan 8.370 nan 0.000 0.485 803 P HA -0.154 nan 4.420 nan 0.000 0.218 803 P C 1.281 178.602 177.300 0.035 0.000 1.148 803 P CA 1.071 64.194 63.100 0.038 0.000 0.822 803 P CB 0.121 31.839 31.700 0.031 0.000 0.784 804 S N -1.179 114.540 115.700 0.032 0.000 2.481 804 S HA -0.032 4.440 4.470 0.003 0.000 0.231 804 S C 1.503 176.121 174.600 0.030 0.000 0.996 804 S CA 0.763 58.979 58.200 0.028 0.000 0.942 804 S CB -1.213 62.002 63.200 0.024 0.000 0.768 804 S HN 0.130 nan 8.310 nan 0.000 0.520 805 L N 0.768 122.015 121.223 0.039 0.000 2.667 805 L HA 0.270 4.612 4.340 0.003 0.000 0.232 805 L C 2.606 179.507 176.870 0.051 0.000 1.138 805 L CA -0.098 54.768 54.840 0.043 0.000 0.921 805 L CB -0.255 41.837 42.059 0.055 0.000 1.180 805 L HN 0.281 nan 8.230 nan 0.000 0.487 806 Q N 1.490 121.320 119.800 0.050 0.000 2.096 806 Q HA -0.179 4.162 4.340 0.003 0.000 0.204 806 Q C 2.001 178.033 176.000 0.053 0.000 0.982 806 Q CA 2.114 57.952 55.803 0.057 0.000 0.850 806 Q CB -0.131 28.637 28.738 0.049 0.000 0.901 806 Q HN 0.520 nan 8.270 nan 0.000 0.422 807 G N 0.861 109.683 108.800 0.037 0.000 2.469 807 G HA2 -0.281 3.680 3.960 0.003 0.000 0.219 807 G HA3 -0.281 3.680 3.960 0.003 0.000 0.219 807 G C 1.290 176.206 174.900 0.027 0.000 1.150 807 G CA 1.122 46.240 45.100 0.029 0.000 0.763 807 G HN 0.386 nan 8.290 nan 0.000 0.561 808 N N -0.451 118.260 118.700 0.019 0.000 2.414 808 N HA 0.086 4.828 4.740 0.003 0.000 0.177 808 N C 2.170 177.704 175.510 0.040 0.000 1.062 808 N CA 0.095 53.148 53.050 0.005 0.000 0.890 808 N CB -0.031 38.433 38.487 -0.038 0.000 1.070 808 N HN 0.281 nan 8.380 nan 0.000 0.454 809 R N -0.196 120.349 120.500 0.075 0.000 2.200 809 R HA 0.182 4.523 4.340 0.003 0.000 0.208 809 R C 0.766 177.181 176.300 0.192 0.000 1.033 809 R CA 0.678 56.862 56.100 0.141 0.000 1.000 809 R CB 0.271 30.662 30.300 0.151 0.000 0.906 809 R HN 0.081 nan 8.270 nan 0.000 0.462 810 L N -1.706 119.603 121.223 0.144 0.000 2.663 810 L HA 0.317 4.659 4.340 0.003 0.000 0.218 810 L C 0.950 177.897 176.870 0.128 0.000 1.043 810 L CA 0.979 55.906 54.840 0.144 0.000 0.876 810 L CB 0.030 42.154 42.059 0.108 0.000 1.263 810 L HN 0.285 nan 8.230 nan 0.000 0.486 811 G N 0.588 109.447 108.800 0.098 0.000 2.804 811 G HA2 -0.218 3.744 3.960 0.003 0.000 0.230 811 G HA3 -0.218 3.744 3.960 0.003 0.000 0.230 811 G C -1.982 172.962 174.900 0.074 0.000 1.386 811 G CA -0.106 45.045 45.100 0.085 0.000 0.875 811 G HN 0.127 nan 8.290 nan 0.000 0.557 812 P HA -0.003 nan 4.420 nan 0.000 0.230 812 P C 1.750 179.083 177.300 0.055 0.000 1.158 812 P CA 1.870 64.999 63.100 0.050 0.000 0.769 812 P CB -0.215 31.506 31.700 0.036 0.000 0.807 813 V N -4.491 115.470 119.914 0.079 0.000 3.541 813 V HA 0.066 4.187 4.120 0.003 0.000 0.267 813 V C 0.742 176.867 176.094 0.053 0.000 1.213 813 V CA 0.169 62.513 62.300 0.074 0.000 1.149 813 V CB -1.280 30.608 31.823 0.108 0.000 0.822 813 V HN -0.024 nan 8.190 nan 0.000 0.462 814 Q N -0.014 119.823 119.800 0.063 0.000 2.439 814 Q HA -0.208 4.134 4.340 0.003 0.000 0.325 814 Q C -0.405 175.628 176.000 0.054 0.000 1.372 814 Q CA 0.896 56.734 55.803 0.058 0.000 0.909 814 Q CB -1.491 27.271 28.738 0.040 0.000 1.167 814 Q HN 0.687 nan 8.270 nan 0.000 0.418 815 L N 0.582 121.850 121.223 0.074 0.000 2.337 815 L HA 0.481 4.822 4.340 0.003 0.000 0.269 815 L C -2.426 174.543 176.870 0.164 0.000 1.018 815 L CA -1.843 53.027 54.840 0.049 0.000 0.876 815 L CB 1.358 43.371 42.059 -0.077 0.000 1.236 815 L HN -0.180 nan 8.230 nan 0.000 0.436 816 P HA -0.051 nan 4.420 nan 0.000 0.262 816 P C -1.367 176.094 177.300 0.268 0.000 1.182 816 P CA 0.294 63.509 63.100 0.192 0.000 0.761 816 P CB 0.015 31.791 31.700 0.126 0.000 0.795 817 Y N 3.691 124.085 120.300 0.156 0.000 2.674 817 Y HA 0.122 4.674 4.550 0.003 0.000 0.354 817 Y C 1.146 176.979 175.900 -0.111 0.000 1.089 817 Y CA 0.599 58.763 58.100 0.107 0.000 1.444 817 Y CB -0.212 38.334 38.460 0.142 0.000 1.187 817 Y HN 0.359 nan 8.280 nan 0.000 0.523 818 T N 1.482 115.587 114.554 -0.749 0.000 3.084 818 T HA 0.119 4.471 4.350 0.003 0.000 0.270 818 T C 1.455 175.581 174.700 -0.957 0.000 1.008 818 T CA -0.090 61.368 62.100 -1.069 0.000 0.900 818 T CB -0.275 67.900 68.868 -1.155 0.000 1.084 818 T HN 0.639 nan 8.240 nan 0.000 0.538 819 L N 0.252 120.734 121.223 -1.234 0.000 2.261 819 L HA 0.155 4.496 4.340 0.003 0.000 0.216 819 L C 1.783 178.452 176.870 -0.334 0.000 1.114 819 L CA 1.205 55.552 54.840 -0.821 0.000 0.777 819 L CB -0.266 41.299 42.059 -0.824 0.000 0.910 819 L HN 0.352 nan 8.230 nan 0.000 0.440 820 L N -1.660 119.429 121.223 -0.224 0.000 2.769 820 L HA 0.135 4.476 4.340 0.003 0.000 0.240 820 L C -0.201 176.761 176.870 0.153 0.000 1.163 820 L CA -0.569 54.303 54.840 0.053 0.000 0.962 820 L CB 0.103 42.273 42.059 0.185 0.000 1.258 820 L HN 0.015 nan 8.230 nan 0.000 0.513 821 Y N 1.112 121.340 120.300 -0.120 0.000 2.526 821 Y HA 0.062 4.613 4.550 0.003 0.000 0.330 821 Y C -1.242 174.593 175.900 -0.109 0.000 1.156 821 Y CA -2.448 55.591 58.100 -0.102 0.000 1.419 821 Y CB 0.224 38.609 38.460 -0.125 0.000 1.250 821 Y HN -0.051 nan 8.280 nan 0.000 0.540 822 P HA -0.120 nan 4.420 nan 0.000 0.215 822 P C -0.052 177.163 177.300 -0.142 0.000 1.153 822 P CA 1.576 64.643 63.100 -0.055 0.000 0.853 822 P CB 0.239 31.865 31.700 -0.125 0.000 0.788 823 S N -2.219 113.354 115.700 -0.212 0.000 2.690 823 S HA 0.688 5.160 4.470 0.003 0.000 0.291 823 S C -0.218 174.112 174.600 -0.451 0.000 1.138 823 S CA -0.493 57.445 58.200 -0.437 0.000 1.013 823 S CB 1.645 64.642 63.200 -0.338 0.000 1.053 823 S HN -0.010 nan 8.310 nan 0.000 0.539 824 S N 0.033 115.285 115.700 -0.747 0.000 2.565 824 S HA 0.394 4.865 4.470 0.003 0.000 0.274 824 S C -1.600 172.751 174.600 -0.415 0.000 1.144 824 S CA -0.681 57.234 58.200 -0.476 0.000 0.849 824 S CB 1.248 64.201 63.200 -0.412 0.000 1.103 824 S HN 0.759 nan 8.310 nan 0.000 0.455 825 E N 1.908 122.011 120.200 -0.161 0.000 2.322 825 E HA 0.254 4.606 4.350 0.003 0.000 0.257 825 E C 0.292 176.907 176.600 0.024 0.000 1.155 825 E CA -0.524 55.837 56.400 -0.064 0.000 0.936 825 E CB 0.446 30.136 29.700 -0.017 0.000 1.130 825 E HN 0.810 nan 8.360 nan 0.000 0.465 826 E N -0.367 119.877 120.200 0.072 0.000 2.409 826 E HA 0.354 4.705 4.350 0.003 0.000 0.257 826 E C 0.473 177.157 176.600 0.139 0.000 1.150 826 E CA -0.107 56.373 56.400 0.132 0.000 0.942 826 E CB 0.393 30.153 29.700 0.100 0.000 0.979 826 E HN 0.588 nan 8.360 nan 0.000 0.447 827 G N 0.471 109.371 108.800 0.166 0.000 2.483 827 G HA2 -0.184 3.778 3.960 0.003 0.000 0.521 827 G HA3 -0.184 3.778 3.960 0.003 0.000 0.521 827 G C -0.918 174.070 174.900 0.147 0.000 1.278 827 G CA -0.373 44.804 45.100 0.127 0.000 0.965 827 G HN 0.656 nan 8.290 nan 0.000 0.504 828 L N 2.039 123.332 121.223 0.117 0.000 2.422 828 L HA 0.464 4.806 4.340 0.003 0.000 0.256 828 L C 2.037 179.048 176.870 0.235 0.000 1.202 828 L CA 0.463 55.392 54.840 0.148 0.000 1.119 828 L CB 0.068 42.179 42.059 0.086 0.000 1.383 828 L HN 0.972 nan 8.230 nan 0.000 0.411 829 T N -0.711 113.976 114.554 0.222 0.000 3.044 829 T HA -0.007 4.345 4.350 0.003 0.000 0.250 829 T C 0.941 175.755 174.700 0.190 0.000 1.081 829 T CA -0.092 62.142 62.100 0.223 0.000 1.040 829 T CB -0.111 68.865 68.868 0.180 0.000 0.962 829 T HN 0.430 nan 8.240 nan 0.000 0.506 830 F N 2.415 122.311 119.950 -0.091 0.000 3.057 830 F HA -0.247 4.281 4.527 0.002 0.000 0.287 830 F C 0.148 175.828 175.800 -0.201 0.000 0.834 830 F CA 0.839 58.693 58.000 -0.244 0.000 1.147 830 F CB -1.404 37.190 39.000 -0.676 0.000 1.245 830 F HN 0.730 nan 8.300 nan 0.000 0.509 831 R N -0.322 120.105 120.500 -0.122 0.000 2.733 831 R HA 0.725 5.067 4.340 0.003 0.000 0.272 831 R C 0.064 176.342 176.300 -0.036 0.000 1.029 831 R CA -0.857 55.123 56.100 -0.200 0.000 0.888 831 R CB 1.255 31.412 30.300 -0.239 0.000 1.251 831 R HN 1.329 nan 8.270 nan 0.000 0.464 832 G N 0.858 109.615 108.800 -0.071 0.000 3.209 832 G HA2 -0.001 3.961 3.960 0.003 0.000 0.686 832 G HA3 -0.001 3.961 3.960 0.003 0.000 0.686 832 G C -0.855 174.070 174.900 0.042 0.000 1.065 832 G CA -0.588 44.453 45.100 -0.100 0.000 0.812 832 G HN 0.540 nan 8.290 nan 0.000 0.573 833 I N 4.265 124.920 120.570 0.143 0.000 2.359 833 I HA 0.270 4.441 4.170 0.003 0.000 0.284 833 I C -2.046 174.193 176.117 0.204 0.000 1.018 833 I CA -2.205 59.198 61.300 0.172 0.000 1.173 833 I CB 1.975 40.052 38.000 0.128 0.000 1.326 833 I HN 0.187 nan 8.210 nan 0.000 0.462 834 P HA 0.164 nan 4.420 nan 0.000 0.272 834 P C 0.314 177.648 177.300 0.056 0.000 1.240 834 P CA -0.333 62.702 63.100 -0.107 0.000 0.791 834 P CB 0.725 32.386 31.700 -0.065 0.000 0.978 835 N N -0.817 117.888 118.700 0.008 0.000 2.244 835 N HA -0.055 4.687 4.740 0.003 0.000 0.183 835 N C 0.685 176.315 175.510 0.199 0.000 1.016 835 N CA 1.079 54.197 53.050 0.113 0.000 0.866 835 N CB -0.112 38.290 38.487 -0.142 0.000 0.980 835 N HN 0.531 nan 8.380 nan 0.000 0.430 836 S N -1.174 114.574 115.700 0.080 0.000 2.806 836 S HA 0.524 4.996 4.470 0.003 0.000 0.306 836 S C -0.313 174.259 174.600 -0.047 0.000 1.167 836 S CA -0.843 57.396 58.200 0.066 0.000 0.847 836 S CB 1.213 64.442 63.200 0.049 0.000 1.216 836 S HN -0.008 nan 8.310 nan 0.000 0.532 837 I N 2.924 123.368 120.570 -0.211 0.000 2.293 837 I HA 0.167 4.339 4.170 0.003 0.000 0.299 837 I C 0.969 176.888 176.117 -0.329 0.000 1.153 837 I CA -0.172 60.717 61.300 -0.684 0.000 1.302 837 I CB 0.490 38.020 38.000 -0.783 0.000 1.460 837 I HN 0.809 nan 8.210 nan 0.000 0.552 838 S N 5.124 120.729 115.700 -0.158 0.000 2.539 838 S HA 0.373 4.845 4.470 0.003 0.000 0.221 838 S C 0.101 174.762 174.600 0.102 0.000 0.987 838 S CA -0.296 57.915 58.200 0.018 0.000 0.929 838 S CB 0.246 63.482 63.200 0.061 0.000 0.832 838 S HN 0.480 nan 8.310 nan 0.000 0.492 839 I N 0.000 120.638 120.570 0.114 0.000 2.984 839 I HA 0.000 4.172 4.170 0.003 0.000 0.288 839 I CA 0.000 61.440 61.300 0.233 0.000 1.566 839 I CB 0.000 38.125 38.000 0.209 0.000 1.214 839 I HN 0.000 nan 8.210 nan 0.000 0.494