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 1q7q_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRNRREVSKL LSERVLLLDG AYGTEFMKYG YDDLPEELNI KAPDVVLKVH DATA SEQUENCE RSYIESGSDV ILTNTFGATR MKLRKHGLED KLDPIVRNAV RIARRAAGEK DATA SEQUENCE LVFGDIGPTG ELPYPLGSTL FEEFYENFRE TVEIMVEEGV DGIIFETFSD DATA SEQUENCE ILELKAAVLA AREVSRDVFL IAHMTFDEKG RSLTGTDPAN FAITFDELDI DATA SEQUENCE DALGINCSLG PEEILPIFQE LSQYTDKFLV VEPNAGKPIV ENGKTVYPLK DATA SEQUENCE PHDFAVHIDS YYELGVNIFG GCCGTTPEHV KLFRKVLGNR KPLQRKKKRI DATA SEQUENCE FAVSSPSKLV TFDHFVVIGE RINPAGRKKL WAEMQKGNEE IVIKEAKTQV DATA SEQUENCE EKGAEVLDVN FGIESQIDVR YVEKIVQTLP YVSNVPLSLD IQNVDLTERA DATA SEQUENCE LRAYPGRSLF NSAKVDEEEL EMKINLLKKY GGTLIVLLMG KDVPKSFEER DATA SEQUENCE KEYFEKALKI LERHDFSDRV IFDPGVLPLG AEGKPVEVLK TIEFISSKGF DATA SEQUENCE NTTVGLSNLX XXXXXRSYYN TAFLVLGISK GLSSAIMNPL DETLMKTLNA DATA SEQUENCE TLVILEKK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.310 176.300 0.016 0.000 1.140 1 M CA 0.000 55.309 55.300 0.015 0.000 0.988 1 M CB 0.000 32.611 32.600 0.018 0.000 1.302 2 R N 2.300 122.814 120.500 0.023 0.000 2.460 2 R HA 0.521 4.860 4.340 -0.001 0.000 0.303 2 R C -0.641 175.682 176.300 0.039 0.000 0.968 2 R CA -0.573 55.539 56.100 0.020 0.000 0.889 2 R CB 0.998 31.299 30.300 0.001 0.000 1.123 2 R HN 0.718 nan 8.270 nan 0.000 0.455 3 N N 0.748 119.474 118.700 0.043 0.000 2.379 3 N HA 0.100 4.839 4.740 -0.001 0.000 0.260 3 N C 0.674 176.247 175.510 0.105 0.000 1.254 3 N CA -0.721 52.369 53.050 0.067 0.000 0.958 3 N CB 0.638 39.160 38.487 0.058 0.000 1.208 3 N HN 0.559 nan 8.380 nan 0.000 0.532 4 R N 0.082 120.682 120.500 0.167 0.000 2.091 4 R HA -0.152 4.188 4.340 -0.001 0.000 0.238 4 R C 1.423 177.876 176.300 0.254 0.000 1.136 4 R CA 1.255 57.549 56.100 0.323 0.000 0.959 4 R CB -0.557 29.897 30.300 0.256 0.000 0.856 4 R HN 0.489 nan 8.270 nan 0.000 0.437 5 R N 1.354 121.946 120.500 0.154 0.000 2.097 5 R HA -0.152 4.187 4.340 -0.001 0.000 0.236 5 R C 2.349 178.704 176.300 0.093 0.000 1.135 5 R CA 2.308 58.481 56.100 0.121 0.000 0.934 5 R CB -0.465 29.883 30.300 0.081 0.000 0.846 5 R HN 0.502 nan 8.270 nan 0.000 0.431 6 E N 0.286 120.518 120.200 0.054 0.000 2.077 6 E HA -0.159 4.190 4.350 -0.001 0.000 0.193 6 E C 2.056 178.630 176.600 -0.044 0.000 0.989 6 E CA 1.563 57.970 56.400 0.011 0.000 0.800 6 E CB -0.128 29.574 29.700 0.003 0.000 0.746 6 E HN 0.134 nan 8.360 nan 0.000 0.452 7 V N 1.185 121.037 119.914 -0.103 0.000 2.515 7 V HA -0.221 3.899 4.120 -0.001 0.000 0.250 7 V C 2.233 178.113 176.094 -0.357 0.000 1.058 7 V CA 1.728 63.824 62.300 -0.339 0.000 1.064 7 V CB -0.350 31.019 31.823 -0.757 0.000 0.675 7 V HN 0.180 nan 8.190 nan 0.000 0.461 8 S N -0.176 115.481 115.700 -0.072 0.000 2.357 8 S HA -0.196 4.274 4.470 -0.001 0.000 0.221 8 S C 2.017 176.668 174.600 0.084 0.000 1.031 8 S CA 1.618 59.879 58.200 0.102 0.000 0.982 8 S CB -0.307 63.171 63.200 0.462 0.000 0.853 8 S HN 0.528 nan 8.310 nan 0.000 0.458 9 K N 1.504 121.949 120.400 0.075 0.000 2.089 9 K HA -0.141 4.178 4.320 -0.001 0.000 0.210 9 K C 1.966 178.577 176.600 0.019 0.000 1.048 9 K CA 1.248 57.572 56.287 0.061 0.000 0.926 9 K CB -0.616 31.908 32.500 0.040 0.000 0.714 9 K HN 0.281 nan 8.250 nan 0.000 0.448 10 L N -0.029 121.168 121.223 -0.044 0.000 2.056 10 L HA -0.008 4.332 4.340 -0.001 0.000 0.207 10 L C 1.867 178.688 176.870 -0.082 0.000 1.078 10 L CA 1.500 56.299 54.840 -0.067 0.000 0.749 10 L CB -0.745 41.249 42.059 -0.108 0.000 0.901 10 L HN 0.227 nan 8.230 nan 0.000 0.433 11 L N -0.109 121.007 121.223 -0.178 0.000 2.191 11 L HA -0.126 4.213 4.340 -0.001 0.000 0.212 11 L C 2.724 179.587 176.870 -0.012 0.000 1.103 11 L CA 1.880 56.578 54.840 -0.237 0.000 0.769 11 L CB -0.938 40.678 42.059 -0.739 0.000 0.908 11 L HN 0.677 nan 8.230 nan 0.000 0.438 12 S N -2.166 113.593 115.700 0.098 0.000 2.496 12 S HA -0.051 4.418 4.470 -0.001 0.000 0.224 12 S C 1.572 176.241 174.600 0.116 0.000 0.996 12 S CA 0.523 58.840 58.200 0.196 0.000 0.927 12 S CB -0.248 63.082 63.200 0.216 0.000 0.774 12 S HN 0.592 nan 8.310 nan 0.000 0.524 13 E N 1.210 121.451 120.200 0.069 0.000 2.318 13 E HA 0.129 4.479 4.350 -0.001 0.000 0.193 13 E C 0.756 177.388 176.600 0.054 0.000 0.998 13 E CA 0.255 56.687 56.400 0.053 0.000 0.859 13 E CB 0.159 29.877 29.700 0.030 0.000 0.812 13 E HN 0.726 nan 8.360 nan 0.000 0.492 14 R N -0.983 119.547 120.500 0.050 0.000 2.687 14 R HA 0.330 4.670 4.340 -0.001 0.000 0.265 14 R C -1.433 174.903 176.300 0.061 0.000 1.048 14 R CA -0.751 55.384 56.100 0.058 0.000 0.884 14 R CB 0.851 31.169 30.300 0.029 0.000 1.258 14 R HN -0.189 nan 8.270 nan 0.000 0.469 15 V N 3.398 123.368 119.914 0.094 0.000 2.427 15 V HA 0.218 4.338 4.120 -0.001 0.000 0.268 15 V C 0.527 176.659 176.094 0.063 0.000 1.046 15 V CA -0.282 62.084 62.300 0.110 0.000 0.970 15 V CB 0.683 32.608 31.823 0.169 0.000 1.001 15 V HN 0.461 nan 8.190 nan 0.000 0.476 16 L N 5.243 126.495 121.223 0.048 0.000 2.375 16 L HA 0.478 4.818 4.340 -0.001 0.000 0.271 16 L C -0.215 176.688 176.870 0.056 0.000 1.107 16 L CA -0.610 54.240 54.840 0.018 0.000 0.806 16 L CB 1.316 43.352 42.059 -0.039 0.000 1.146 16 L HN 0.461 nan 8.230 nan 0.000 0.447 17 L N 2.673 123.920 121.223 0.040 0.000 2.282 17 L HA 0.418 4.758 4.340 -0.001 0.000 0.288 17 L C -0.349 176.546 176.870 0.042 0.000 1.033 17 L CA -0.085 54.807 54.840 0.086 0.000 0.807 17 L CB 1.223 43.339 42.059 0.095 0.000 1.209 17 L HN 0.366 nan 8.230 nan 0.000 0.423 18 L N 3.392 124.649 121.223 0.056 0.000 2.657 18 L HA 0.527 4.866 4.340 -0.001 0.000 0.240 18 L C -0.272 176.571 176.870 -0.044 0.000 1.151 18 L CA -0.086 54.742 54.840 -0.019 0.000 0.831 18 L CB 0.841 42.889 42.059 -0.018 0.000 1.539 18 L HN 0.855 nan 8.230 nan 0.000 0.511 19 D N -1.145 119.167 120.400 -0.147 0.000 2.478 19 D HA 0.527 5.167 4.640 -0.001 0.000 0.263 19 D C 0.104 176.086 176.300 -0.530 0.000 1.153 19 D CA -0.338 53.411 54.000 -0.418 0.000 1.038 19 D CB 0.415 40.932 40.800 -0.472 0.000 1.120 19 D HN 0.604 nan 8.370 nan 0.000 0.564 20 G N -1.517 106.594 108.800 -1.148 0.000 2.782 20 G HA2 0.557 4.516 3.960 -0.001 0.000 0.201 20 G HA3 0.557 4.516 3.960 -0.001 0.000 0.201 20 G C -0.565 174.106 174.900 -0.381 0.000 1.374 20 G CA -0.466 44.301 45.100 -0.555 0.000 1.039 20 G HN 0.698 nan 8.290 nan 0.000 0.576 21 A N -1.779 120.949 122.820 -0.153 0.000 2.371 21 A HA 0.590 4.910 4.320 -0.001 0.000 0.257 21 A C 0.005 177.540 177.584 -0.080 0.000 1.089 21 A CA -0.185 51.806 52.037 -0.076 0.000 0.794 21 A CB 0.484 19.416 19.000 -0.114 0.000 1.029 21 A HN 0.607 nan 8.150 nan 0.000 0.488 22 Y N 1.213 121.361 120.300 -0.254 0.000 2.559 22 Y HA 0.179 4.728 4.550 -0.001 0.000 0.279 22 Y C 2.449 177.969 175.900 -0.633 0.000 1.117 22 Y CA 0.813 58.609 58.100 -0.506 0.000 1.263 22 Y CB -0.490 37.640 38.460 -0.551 0.000 1.230 22 Y HN 0.764 nan 8.280 nan 0.000 0.528 23 G N -0.042 108.678 108.800 -0.134 0.000 2.514 23 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.217 23 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.217 23 G C 1.699 176.597 174.900 -0.004 0.000 1.198 23 G CA 2.078 47.175 45.100 -0.005 0.000 0.780 23 G HN 0.322 nan 8.290 nan 0.000 0.565 24 T N 1.300 115.833 114.554 -0.034 0.000 2.635 24 T HA -0.125 4.224 4.350 -0.001 0.000 0.267 24 T C 2.170 176.857 174.700 -0.022 0.000 1.040 24 T CA 1.558 63.659 62.100 0.002 0.000 1.156 24 T CB -0.264 68.603 68.868 -0.001 0.000 0.863 24 T HN 0.271 nan 8.240 nan 0.000 0.430 25 E N 0.538 120.642 120.200 -0.160 0.000 2.209 25 E HA -0.077 4.273 4.350 -0.001 0.000 0.196 25 E C 1.865 178.357 176.600 -0.180 0.000 0.993 25 E CA 0.837 57.094 56.400 -0.238 0.000 0.819 25 E CB -0.339 29.081 29.700 -0.468 0.000 0.745 25 E HN 0.494 nan 8.360 nan 0.000 0.477 26 F N 0.188 120.072 119.950 -0.110 0.000 2.293 26 F HA 0.052 4.578 4.527 -0.001 0.000 0.297 26 F C 2.276 178.150 175.800 0.125 0.000 1.089 26 F CA 0.601 58.558 58.000 -0.072 0.000 1.377 26 F CB -0.551 38.429 39.000 -0.033 0.000 1.051 26 F HN -0.016 nan 8.300 nan 0.000 0.511 27 M N -0.408 119.370 119.600 0.297 0.000 2.254 27 M HA -0.137 4.343 4.480 -0.001 0.000 0.265 27 M C 1.807 178.257 176.300 0.250 0.000 1.066 27 M CA 1.243 56.690 55.300 0.245 0.000 1.123 27 M CB -0.498 32.199 32.600 0.162 0.000 1.388 27 M HN -0.070 nan 8.290 nan 0.000 0.425 28 K N -0.054 120.504 120.400 0.264 0.000 2.442 28 K HA -0.136 4.184 4.320 -0.001 0.000 0.199 28 K C 0.487 177.393 176.600 0.510 0.000 1.044 28 K CA 1.071 57.549 56.287 0.318 0.000 0.941 28 K CB -0.077 32.604 32.500 0.302 0.000 0.759 28 K HN 0.495 nan 8.250 nan 0.000 0.472 29 Y N -0.001 120.407 120.300 0.180 0.000 2.681 29 Y HA 0.175 4.724 4.550 -0.001 0.000 0.267 29 Y C 0.838 176.809 175.900 0.118 0.000 1.166 29 Y CA -0.607 57.619 58.100 0.209 0.000 1.209 29 Y CB 1.107 39.777 38.460 0.352 0.000 1.161 29 Y HN 0.110 nan 8.280 nan 0.000 0.534 30 G N 0.873 109.779 108.800 0.176 0.000 2.333 30 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.296 30 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.296 30 G C -1.009 173.720 174.900 -0.285 0.000 1.059 30 G CA -0.125 44.939 45.100 -0.060 0.000 1.050 30 G HN 0.474 nan 8.290 nan 0.000 0.508 31 Y N 0.031 120.395 120.300 0.106 0.000 2.535 31 Y HA 0.331 4.880 4.550 -0.001 0.000 0.341 31 Y C 0.479 176.423 175.900 0.072 0.000 1.041 31 Y CA -1.271 56.867 58.100 0.064 0.000 1.307 31 Y CB 1.390 39.863 38.460 0.023 0.000 1.095 31 Y HN 0.217 nan 8.280 nan 0.000 0.534 32 D N 0.866 121.354 120.400 0.148 0.000 2.328 32 D HA 0.017 4.656 4.640 -0.001 0.000 0.221 32 D C -0.495 175.878 176.300 0.121 0.000 1.072 32 D CA 0.290 54.364 54.000 0.124 0.000 0.850 32 D CB 0.153 40.999 40.800 0.076 0.000 0.922 32 D HN 0.597 nan 8.370 nan 0.000 0.516 33 D N 0.761 121.247 120.400 0.143 0.000 2.443 33 D HA 0.033 4.672 4.640 -0.001 0.000 0.239 33 D C 0.508 176.862 176.300 0.090 0.000 1.136 33 D CA -0.193 53.872 54.000 0.107 0.000 0.879 33 D CB 1.117 41.983 40.800 0.111 0.000 1.195 33 D HN 0.004 nan 8.370 nan 0.000 0.443 34 L N 4.510 125.779 121.223 0.077 0.000 2.700 34 L HA -0.023 4.316 4.340 -0.001 0.000 0.272 34 L C -1.040 175.863 176.870 0.055 0.000 1.176 34 L CA -0.922 53.962 54.840 0.075 0.000 0.961 34 L CB 0.457 42.554 42.059 0.063 0.000 1.249 34 L HN 0.454 nan 8.230 nan 0.000 0.487 35 P HA -0.317 nan 4.420 nan 0.000 0.227 35 P C 0.968 178.296 177.300 0.046 0.000 1.141 35 P CA 1.811 65.000 63.100 0.148 0.000 0.964 35 P CB 0.280 32.133 31.700 0.254 0.000 0.784 36 E N -0.276 119.955 120.200 0.052 0.000 2.130 36 E HA -0.196 4.154 4.350 -0.001 0.000 0.196 36 E C 2.181 178.765 176.600 -0.027 0.000 0.998 36 E CA 1.297 57.709 56.400 0.020 0.000 0.806 36 E CB -0.824 28.889 29.700 0.020 0.000 0.738 36 E HN 0.507 nan 8.360 nan 0.000 0.459 37 E N 0.118 120.299 120.200 -0.031 0.000 2.265 37 E HA -0.170 4.179 4.350 -0.001 0.000 0.196 37 E C 1.667 178.212 176.600 -0.091 0.000 0.996 37 E CA 0.529 56.905 56.400 -0.041 0.000 0.832 37 E CB -0.052 29.640 29.700 -0.012 0.000 0.756 37 E HN 0.272 nan 8.360 nan 0.000 0.491 38 L N 0.926 122.041 121.223 -0.179 0.000 2.191 38 L HA -0.183 4.156 4.340 -0.001 0.000 0.212 38 L C 1.840 178.571 176.870 -0.231 0.000 1.103 38 L CA 0.549 55.206 54.840 -0.305 0.000 0.769 38 L CB -0.521 41.145 42.059 -0.655 0.000 0.908 38 L HN 0.146 nan 8.230 nan 0.000 0.438 39 N N 0.058 118.666 118.700 -0.152 0.000 2.503 39 N HA -0.166 4.573 4.740 -0.001 0.000 0.189 39 N C 1.482 176.953 175.510 -0.065 0.000 1.048 39 N CA 1.188 54.187 53.050 -0.085 0.000 0.905 39 N CB 0.162 38.630 38.487 -0.033 0.000 0.951 39 N HN 0.358 nan 8.380 nan 0.000 0.446 40 I N 0.391 120.919 120.570 -0.071 0.000 3.345 40 I HA -0.006 4.164 4.170 -0.001 0.000 0.258 40 I C 1.826 177.913 176.117 -0.050 0.000 1.134 40 I CA 0.430 61.703 61.300 -0.045 0.000 1.457 40 I CB -0.345 37.638 38.000 -0.027 0.000 1.425 40 I HN -0.124 nan 8.210 nan 0.000 0.461 41 K N 1.816 122.181 120.400 -0.059 0.000 1.978 41 K HA -0.028 4.291 4.320 -0.001 0.000 0.214 41 K C 1.052 177.612 176.600 -0.066 0.000 1.049 41 K CA 1.499 57.764 56.287 -0.037 0.000 0.939 41 K CB -0.528 31.966 32.500 -0.009 0.000 0.721 41 K HN 0.256 nan 8.250 nan 0.000 0.441 42 A N 2.330 125.041 122.820 -0.182 0.000 3.215 42 A HA 0.268 4.587 4.320 -0.001 0.000 0.320 42 A C -1.846 175.588 177.584 -0.250 0.000 1.084 42 A CA -1.159 50.725 52.037 -0.254 0.000 0.969 42 A CB 0.417 19.060 19.000 -0.595 0.000 1.064 42 A HN -0.001 nan 8.150 nan 0.000 0.513 43 P HA -0.200 nan 4.420 nan 0.000 0.220 43 P C 0.308 177.570 177.300 -0.064 0.000 1.144 43 P CA 1.293 64.338 63.100 -0.091 0.000 0.800 43 P CB 0.388 32.063 31.700 -0.041 0.000 0.772 44 D N -0.451 119.913 120.400 -0.060 0.000 2.137 44 D HA -0.069 4.570 4.640 -0.001 0.000 0.202 44 D C 2.182 178.469 176.300 -0.021 0.000 0.970 44 D CA 0.687 54.679 54.000 -0.013 0.000 0.837 44 D CB -0.852 39.956 40.800 0.014 0.000 0.981 44 D HN -0.025 nan 8.370 nan 0.000 0.475 45 V N 1.002 120.848 119.914 -0.113 0.000 2.380 45 V HA -0.230 3.889 4.120 -0.001 0.000 0.251 45 V C 2.584 178.656 176.094 -0.035 0.000 1.063 45 V CA 1.122 63.339 62.300 -0.138 0.000 1.055 45 V CB -0.477 31.056 31.823 -0.483 0.000 0.657 45 V HN 0.057 nan 8.190 nan 0.000 0.455 46 V N -0.494 119.359 119.914 -0.101 0.000 2.270 46 V HA -0.212 3.907 4.120 -0.001 0.000 0.245 46 V C 2.329 178.480 176.094 0.096 0.000 1.043 46 V CA 1.963 64.312 62.300 0.082 0.000 1.014 46 V CB -0.646 31.156 31.823 -0.034 0.000 0.645 46 V HN 0.522 nan 8.190 nan 0.000 0.447 47 L N 0.137 121.427 121.223 0.113 0.000 2.189 47 L HA -0.177 4.163 4.340 -0.001 0.000 0.214 47 L C 2.348 179.306 176.870 0.146 0.000 1.097 47 L CA 1.980 56.925 54.840 0.175 0.000 0.764 47 L CB -0.668 41.458 42.059 0.110 0.000 0.900 47 L HN 0.193 nan 8.230 nan 0.000 0.436 48 K N -0.637 119.817 120.400 0.090 0.000 1.980 48 K HA -0.076 4.243 4.320 -0.001 0.000 0.208 48 K C 1.966 178.566 176.600 -0.000 0.000 1.043 48 K CA 1.841 58.167 56.287 0.065 0.000 0.938 48 K CB -0.387 32.170 32.500 0.096 0.000 0.724 48 K HN 0.280 nan 8.250 nan 0.000 0.438 49 V N 1.828 121.692 119.914 -0.082 0.000 2.380 49 V HA -0.264 3.856 4.120 -0.001 0.000 0.251 49 V C 2.457 178.464 176.094 -0.146 0.000 1.063 49 V CA 1.808 63.936 62.300 -0.287 0.000 1.055 49 V CB -0.788 30.744 31.823 -0.485 0.000 0.657 49 V HN 0.355 nan 8.190 nan 0.000 0.455 50 H N 0.289 119.443 119.070 0.140 0.000 2.253 50 H HA -0.125 4.431 4.556 -0.001 0.000 0.299 50 H C 2.488 177.884 175.328 0.114 0.000 1.064 50 H CA 2.201 58.404 56.048 0.258 0.000 1.264 50 H CB -0.399 29.506 29.762 0.239 0.000 1.371 50 H HN 0.202 nan 8.280 nan 0.000 0.493 51 R N 0.837 121.470 120.500 0.223 0.000 2.174 51 R HA -0.169 4.171 4.340 -0.001 0.000 0.253 51 R C 2.652 178.970 176.300 0.030 0.000 1.165 51 R CA 1.536 57.697 56.100 0.102 0.000 0.984 51 R CB -0.626 29.721 30.300 0.079 0.000 0.873 51 R HN 0.263 nan 8.270 nan 0.000 0.456 52 S N -1.232 114.441 115.700 -0.045 0.000 2.356 52 S HA -0.182 4.287 4.470 -0.001 0.000 0.223 52 S C 1.879 176.345 174.600 -0.224 0.000 1.032 52 S CA 1.305 59.391 58.200 -0.191 0.000 1.005 52 S CB -0.405 62.569 63.200 -0.377 0.000 0.867 52 S HN 0.549 nan 8.310 nan 0.000 0.449 53 Y N 0.919 121.174 120.300 -0.074 0.000 2.184 53 Y HA 0.036 4.585 4.550 -0.001 0.000 0.290 53 Y C 2.511 178.398 175.900 -0.021 0.000 1.129 53 Y CA 0.943 59.005 58.100 -0.063 0.000 1.144 53 Y CB -0.175 38.249 38.460 -0.061 0.000 0.995 53 Y HN 0.247 nan 8.280 nan 0.000 0.513 54 I N 0.686 121.352 120.570 0.160 0.000 2.248 54 I HA -0.324 3.845 4.170 -0.001 0.000 0.248 54 I C 2.402 178.545 176.117 0.043 0.000 1.107 54 I CA 1.724 63.071 61.300 0.079 0.000 1.373 54 I CB -1.036 36.997 38.000 0.054 0.000 1.055 54 I HN 0.443 nan 8.210 nan 0.000 0.418 55 E N 0.781 120.997 120.200 0.027 0.000 2.072 55 E HA -0.168 4.181 4.350 -0.001 0.000 0.191 55 E C 2.058 178.657 176.600 -0.001 0.000 0.985 55 E CA 1.386 57.788 56.400 0.003 0.000 0.801 55 E CB 0.127 29.818 29.700 -0.015 0.000 0.750 55 E HN 0.319 nan 8.360 nan 0.000 0.452 56 S N -0.619 115.080 115.700 -0.001 0.000 2.547 56 S HA 0.037 4.506 4.470 -0.001 0.000 0.235 56 S C 1.108 175.726 174.600 0.030 0.000 0.980 56 S CA 0.821 59.022 58.200 0.001 0.000 0.941 56 S CB 0.257 63.455 63.200 -0.003 0.000 0.763 56 S HN 0.609 nan 8.310 nan 0.000 0.532 57 G N 0.875 109.700 108.800 0.040 0.000 2.151 57 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.156 57 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.156 57 G C -0.024 174.904 174.900 0.046 0.000 1.017 57 G CA -0.152 44.970 45.100 0.036 0.000 0.686 57 G HN 0.380 nan 8.290 nan 0.000 0.503 58 S N -0.194 115.540 115.700 0.057 0.000 2.601 58 S HA 0.460 4.929 4.470 -0.001 0.000 0.271 58 S C 0.862 175.453 174.600 -0.016 0.000 1.305 58 S CA -0.236 57.985 58.200 0.034 0.000 1.022 58 S CB 1.093 64.319 63.200 0.044 0.000 0.940 58 S HN 0.293 nan 8.310 nan 0.000 0.525 59 D N 0.409 120.777 120.400 -0.053 0.000 2.380 59 D HA 0.129 4.768 4.640 -0.001 0.000 0.212 59 D C -0.279 175.907 176.300 -0.189 0.000 1.021 59 D CA 0.777 54.717 54.000 -0.100 0.000 0.884 59 D CB 0.588 41.333 40.800 -0.093 0.000 1.001 59 D HN 0.232 nan 8.370 nan 0.000 0.506 60 V N 3.367 123.149 119.914 -0.220 0.000 2.623 60 V HA 0.339 4.458 4.120 -0.001 0.000 0.304 60 V C -0.092 175.849 176.094 -0.256 0.000 1.054 60 V CA -0.975 61.093 62.300 -0.387 0.000 0.882 60 V CB 2.636 34.084 31.823 -0.624 0.000 1.002 60 V HN 0.014 nan 8.190 nan 0.000 0.424 61 I N 2.896 123.327 120.570 -0.232 0.000 2.693 61 I HA 0.686 4.856 4.170 -0.001 0.000 0.303 61 I C -1.119 174.925 176.117 -0.122 0.000 1.025 61 I CA -0.915 60.326 61.300 -0.099 0.000 1.086 61 I CB 2.266 40.268 38.000 0.004 0.000 1.268 61 I HN 0.496 nan 8.210 nan 0.000 0.440 62 L N 3.780 124.963 121.223 -0.067 0.000 2.309 62 L HA 0.372 4.712 4.340 -0.001 0.000 0.282 62 L C 0.784 177.591 176.870 -0.106 0.000 1.036 62 L CA -0.719 54.075 54.840 -0.076 0.000 0.806 62 L CB 1.743 43.756 42.059 -0.075 0.000 1.220 62 L HN 0.746 nan 8.230 nan 0.000 0.429 63 T N -1.250 113.273 114.554 -0.052 0.000 2.940 63 T HA -0.023 4.326 4.350 -0.001 0.000 0.309 63 T C 0.562 175.244 174.700 -0.030 0.000 1.056 63 T CA -0.620 61.482 62.100 0.002 0.000 1.137 63 T CB 0.354 69.224 68.868 0.003 0.000 0.976 63 T HN 0.545 nan 8.240 nan 0.000 0.547 64 N N 2.314 121.018 118.700 0.008 0.000 3.059 64 N HA 0.021 4.760 4.740 -0.001 0.000 0.321 64 N C 0.835 176.368 175.510 0.038 0.000 1.224 64 N CA 0.238 53.272 53.050 -0.026 0.000 1.197 64 N CB -0.653 37.868 38.487 0.057 0.000 1.453 64 N HN 0.864 nan 8.380 nan 0.000 0.544 65 T N -2.953 111.628 114.554 0.045 0.000 3.275 65 T HA 0.082 4.431 4.350 -0.001 0.000 0.298 65 T C 1.141 175.899 174.700 0.097 0.000 0.988 65 T CA -0.577 61.558 62.100 0.059 0.000 0.936 65 T CB -1.057 67.827 68.868 0.026 0.000 1.159 65 T HN 0.179 nan 8.240 nan 0.000 0.519 66 F N 3.196 123.134 119.950 -0.019 0.000 2.111 66 F HA 0.039 4.566 4.527 -0.001 0.000 0.300 66 F C 1.905 177.714 175.800 0.015 0.000 1.088 66 F CA 2.141 60.142 58.000 0.001 0.000 1.243 66 F CB -0.298 38.697 39.000 -0.009 0.000 0.996 66 F HN 0.401 nan 8.300 nan 0.000 0.483 67 G N -0.941 107.952 108.800 0.154 0.000 3.605 67 G HA2 0.395 4.354 3.960 -0.001 0.000 0.277 67 G HA3 0.395 4.354 3.960 -0.001 0.000 0.277 67 G C 0.182 175.067 174.900 -0.026 0.000 1.093 67 G CA 0.214 45.325 45.100 0.018 0.000 0.821 67 G HN 0.512 nan 8.290 nan 0.000 0.532 68 A N 1.586 124.403 122.820 -0.005 0.000 3.091 68 A HA 0.580 4.899 4.320 -0.001 0.000 0.264 68 A C 0.695 178.276 177.584 -0.004 0.000 1.673 68 A CA 0.087 52.121 52.037 -0.005 0.000 1.362 68 A CB -0.767 18.239 19.000 0.010 0.000 1.137 68 A HN 0.430 nan 8.150 nan 0.000 0.617 69 T N -3.141 111.394 114.554 -0.031 0.000 2.903 69 T HA 0.457 4.806 4.350 -0.001 0.000 0.299 69 T C 0.967 175.622 174.700 -0.075 0.000 1.093 69 T CA -0.887 61.180 62.100 -0.054 0.000 1.002 69 T CB 1.382 70.192 68.868 -0.097 0.000 1.127 69 T HN 0.264 nan 8.240 nan 0.000 0.488 70 R N 0.548 120.997 120.500 -0.084 0.000 2.133 70 R HA -0.149 4.190 4.340 -0.001 0.000 0.245 70 R C 2.207 178.465 176.300 -0.070 0.000 1.137 70 R CA 2.222 58.279 56.100 -0.072 0.000 0.947 70 R CB -0.754 29.495 30.300 -0.084 0.000 0.865 70 R HN 0.781 nan 8.270 nan 0.000 0.437 71 M N -0.132 119.406 119.600 -0.104 0.000 2.086 71 M HA -0.189 4.290 4.480 -0.001 0.000 0.261 71 M C 2.274 178.552 176.300 -0.036 0.000 1.067 71 M CA 1.586 56.837 55.300 -0.082 0.000 1.116 71 M CB -0.329 32.201 32.600 -0.117 0.000 1.348 71 M HN -0.089 nan 8.290 nan 0.000 0.407 72 K N 1.225 121.593 120.400 -0.053 0.000 1.973 72 K HA -0.015 4.304 4.320 -0.001 0.000 0.210 72 K C 1.682 178.272 176.600 -0.016 0.000 1.045 72 K CA 1.515 57.784 56.287 -0.029 0.000 0.937 72 K CB -0.876 31.579 32.500 -0.075 0.000 0.721 72 K HN 0.230 nan 8.250 nan 0.000 0.438 73 L N 0.757 121.951 121.223 -0.050 0.000 2.021 73 L HA -0.272 4.067 4.340 -0.001 0.000 0.215 73 L C 2.760 179.664 176.870 0.057 0.000 1.074 73 L CA 1.952 56.774 54.840 -0.030 0.000 0.760 73 L CB -0.502 41.541 42.059 -0.026 0.000 0.889 73 L HN 0.332 nan 8.230 nan 0.000 0.433 74 R N 0.999 121.524 120.500 0.041 0.000 2.096 74 R HA -0.233 4.106 4.340 -0.001 0.000 0.240 74 R C 2.074 178.433 176.300 0.098 0.000 1.139 74 R CA 1.845 57.974 56.100 0.047 0.000 0.952 74 R CB -0.158 30.147 30.300 0.009 0.000 0.854 74 R HN 0.290 nan 8.270 nan 0.000 0.436 75 K N -0.738 119.763 120.400 0.168 0.000 2.589 75 K HA -0.134 4.186 4.320 -0.001 0.000 0.195 75 K C 0.034 176.714 176.600 0.133 0.000 1.040 75 K CA 1.028 57.417 56.287 0.169 0.000 0.950 75 K CB -0.011 32.625 32.500 0.226 0.000 0.781 75 K HN 0.467 nan 8.250 nan 0.000 0.486 76 H N -1.552 117.520 119.070 0.004 0.000 2.777 76 H HA 0.210 4.765 4.556 -0.001 0.000 0.244 76 H C 0.227 175.559 175.328 0.007 0.000 1.185 76 H CA -0.347 55.707 56.048 0.010 0.000 0.945 76 H CB 0.709 30.483 29.762 0.020 0.000 1.994 76 H HN 0.166 nan 8.280 nan 0.000 0.638 77 G N 1.452 110.314 108.800 0.103 0.000 2.393 77 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.299 77 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.299 77 G C 0.387 175.319 174.900 0.053 0.000 0.990 77 G CA 0.861 45.996 45.100 0.058 0.000 1.118 77 G HN 0.532 nan 8.290 nan 0.000 0.513 78 L N -1.339 119.914 121.223 0.050 0.000 3.360 78 L HA 0.259 4.598 4.340 -0.001 0.000 0.303 78 L C 2.014 178.891 176.870 0.012 0.000 1.218 78 L CA 0.332 55.188 54.840 0.028 0.000 1.059 78 L CB 0.197 42.269 42.059 0.023 0.000 1.468 78 L HN 0.426 nan 8.230 nan 0.000 0.614 79 E N 1.672 121.879 120.200 0.012 0.000 2.187 79 E HA -0.288 4.062 4.350 -0.001 0.000 0.199 79 E C 1.175 177.773 176.600 -0.004 0.000 1.004 79 E CA 2.028 58.427 56.400 -0.001 0.000 0.813 79 E CB 0.233 29.931 29.700 -0.003 0.000 0.736 79 E HN 0.590 nan 8.360 nan 0.000 0.468 80 D N -0.620 119.780 120.400 -0.000 0.000 2.355 80 D HA -0.092 4.547 4.640 -0.001 0.000 0.218 80 D C 0.867 177.166 176.300 -0.002 0.000 1.004 80 D CA 0.362 54.361 54.000 -0.002 0.000 0.880 80 D CB 0.109 40.908 40.800 -0.000 0.000 0.911 80 D HN -0.012 nan 8.370 nan 0.000 0.528 81 K N 0.399 120.799 120.400 -0.001 0.000 2.498 81 K HA 0.168 4.487 4.320 -0.001 0.000 0.207 81 K C 1.441 178.039 176.600 -0.004 0.000 1.033 81 K CA -0.375 55.911 56.287 -0.002 0.000 1.138 81 K CB 0.420 32.920 32.500 -0.000 0.000 0.860 81 K HN 0.152 nan 8.250 nan 0.000 0.490 82 L N 1.620 122.839 121.223 -0.006 0.000 1.961 82 L HA -0.150 4.190 4.340 -0.001 0.000 0.210 82 L C 1.943 178.810 176.870 -0.005 0.000 1.072 82 L CA 2.120 56.956 54.840 -0.008 0.000 0.749 82 L CB -0.546 41.505 42.059 -0.012 0.000 0.889 82 L HN 0.246 nan 8.230 nan 0.000 0.432 83 D N -0.847 119.551 120.400 -0.005 0.000 2.126 83 D HA -0.190 4.449 4.640 -0.001 0.000 0.190 83 D C -0.317 175.982 176.300 -0.001 0.000 1.001 83 D CA 2.226 56.225 54.000 -0.002 0.000 0.841 83 D CB -1.081 39.717 40.800 -0.003 0.000 0.949 83 D HN 0.283 nan 8.370 nan 0.000 0.446 84 P HA -0.104 nan 4.420 nan 0.000 0.213 84 P C 1.967 179.266 177.300 -0.002 0.000 1.170 84 P CA 0.946 64.045 63.100 -0.002 0.000 0.898 84 P CB -0.094 31.604 31.700 -0.003 0.000 0.787 85 I N -1.010 119.558 120.570 -0.003 0.000 2.113 85 I HA -0.286 3.883 4.170 -0.001 0.000 0.242 85 I C 2.221 178.341 176.117 0.004 0.000 1.057 85 I CA 1.760 63.059 61.300 -0.003 0.000 1.314 85 I CB -0.864 37.133 38.000 -0.004 0.000 1.022 85 I HN -0.154 nan 8.210 nan 0.000 0.408 86 V N 0.553 120.470 119.914 0.004 0.000 2.307 86 V HA -0.253 3.866 4.120 -0.001 0.000 0.245 86 V C 2.530 178.629 176.094 0.008 0.000 1.045 86 V CA 1.831 64.136 62.300 0.007 0.000 1.024 86 V CB -0.738 31.088 31.823 0.005 0.000 0.651 86 V HN 0.365 nan 8.190 nan 0.000 0.449 87 R N 0.231 120.735 120.500 0.006 0.000 2.073 87 R HA -0.162 4.177 4.340 -0.001 0.000 0.234 87 R C 2.250 178.556 176.300 0.009 0.000 1.134 87 R CA 1.812 57.916 56.100 0.006 0.000 0.952 87 R CB -0.517 29.785 30.300 0.004 0.000 0.850 87 R HN 0.504 nan 8.270 nan 0.000 0.433 88 N N 0.822 119.527 118.700 0.009 0.000 2.084 88 N HA -0.150 4.589 4.740 -0.001 0.000 0.190 88 N C 1.690 177.217 175.510 0.027 0.000 1.030 88 N CA 1.586 54.644 53.050 0.012 0.000 0.849 88 N CB -0.558 37.931 38.487 0.003 0.000 1.012 88 N HN 0.227 nan 8.380 nan 0.000 0.423 89 A N 0.814 123.653 122.820 0.032 0.000 1.859 89 A HA -0.177 4.142 4.320 -0.001 0.000 0.218 89 A C 2.483 180.099 177.584 0.053 0.000 1.209 89 A CA 2.133 54.207 52.037 0.061 0.000 0.639 89 A CB -1.177 17.852 19.000 0.048 0.000 0.835 89 A HN 0.105 nan 8.150 nan 0.000 0.450 90 V N 0.011 119.938 119.914 0.022 0.000 2.324 90 V HA -0.340 3.779 4.120 -0.001 0.000 0.250 90 V C 2.691 178.784 176.094 -0.001 0.000 1.060 90 V CA 2.507 64.809 62.300 0.002 0.000 1.042 90 V CB -0.921 30.902 31.823 0.000 0.000 0.650 90 V HN 0.538 nan 8.190 nan 0.000 0.450 91 R N -0.394 120.113 120.500 0.010 0.000 2.070 91 R HA -0.113 4.226 4.340 -0.001 0.000 0.233 91 R C 2.247 178.558 176.300 0.018 0.000 1.137 91 R CA 1.901 58.007 56.100 0.010 0.000 0.945 91 R CB -0.453 29.855 30.300 0.013 0.000 0.845 91 R HN 0.458 nan 8.270 nan 0.000 0.430 92 I N 0.611 121.208 120.570 0.046 0.000 2.113 92 I HA -0.258 3.911 4.170 -0.001 0.000 0.238 92 I C 2.658 178.812 176.117 0.063 0.000 1.070 92 I CA 1.326 62.679 61.300 0.088 0.000 1.332 92 I CB -0.677 37.415 38.000 0.152 0.000 1.044 92 I HN 0.188 nan 8.210 nan 0.000 0.402 93 A N 0.684 123.501 122.820 -0.005 0.000 1.997 93 A HA -0.277 4.042 4.320 -0.001 0.000 0.221 93 A C 2.388 179.837 177.584 -0.225 0.000 1.172 93 A CA 2.035 53.850 52.037 -0.369 0.000 0.645 93 A CB -0.705 18.080 19.000 -0.357 0.000 0.813 93 A HN 0.366 nan 8.150 nan 0.000 0.454 94 R N -1.513 118.928 120.500 -0.098 0.000 2.055 94 R HA -0.054 4.285 4.340 -0.001 0.000 0.226 94 R C 2.456 178.730 176.300 -0.044 0.000 1.135 94 R CA 1.357 57.416 56.100 -0.067 0.000 0.959 94 R CB -0.269 30.009 30.300 -0.036 0.000 0.854 94 R HN 0.483 nan 8.270 nan 0.000 0.431 95 R N 0.847 121.337 120.500 -0.016 0.000 2.113 95 R HA -0.198 4.141 4.340 -0.001 0.000 0.244 95 R C 1.860 178.163 176.300 0.006 0.000 1.142 95 R CA 2.205 58.308 56.100 0.004 0.000 0.953 95 R CB -0.694 29.621 30.300 0.025 0.000 0.860 95 R HN 0.297 nan 8.270 nan 0.000 0.438 96 A N 0.080 122.905 122.820 0.008 0.000 1.841 96 A HA 0.029 4.349 4.320 -0.001 0.000 0.214 96 A C 2.448 180.025 177.584 -0.012 0.000 1.195 96 A CA 1.847 53.899 52.037 0.025 0.000 0.611 96 A CB -1.405 17.644 19.000 0.081 0.000 0.835 96 A HN 0.530 nan 8.150 nan 0.000 0.443 97 A N -1.594 121.186 122.820 -0.066 0.000 1.929 97 A HA 0.094 4.414 4.320 -0.001 0.000 0.221 97 A C 2.632 180.188 177.584 -0.047 0.000 1.211 97 A CA 2.874 54.867 52.037 -0.073 0.000 0.657 97 A CB -1.515 17.418 19.000 -0.111 0.000 0.827 97 A HN 2.221 nan 8.150 nan 0.000 0.462 98 G N -1.800 106.979 108.800 -0.036 0.000 2.846 98 G HA2 -0.377 3.582 3.960 -0.001 0.000 0.317 98 G HA3 -0.377 3.582 3.960 -0.001 0.000 0.317 98 G C 0.832 175.712 174.900 -0.033 0.000 1.210 98 G CA 0.691 45.776 45.100 -0.026 0.000 0.972 98 G HN 0.460 nan 8.290 nan 0.000 0.567 99 E N 1.239 121.419 120.200 -0.035 0.000 2.415 99 E HA 0.200 4.549 4.350 -0.001 0.000 0.197 99 E C 1.350 177.915 176.600 -0.057 0.000 1.007 99 E CA 0.459 56.835 56.400 -0.039 0.000 0.890 99 E CB 0.104 29.786 29.700 -0.031 0.000 0.891 99 E HN 0.370 nan 8.360 nan 0.000 0.496 100 K N 0.131 120.490 120.400 -0.069 0.000 2.136 100 K HA 0.275 4.595 4.320 -0.001 0.000 0.237 100 K C 0.364 176.880 176.600 -0.140 0.000 1.048 100 K CA -0.204 56.022 56.287 -0.102 0.000 0.880 100 K CB 0.280 32.722 32.500 -0.096 0.000 1.105 100 K HN -0.085 nan 8.250 nan 0.000 0.507 101 L N 0.687 121.780 121.223 -0.217 0.000 2.350 101 L HA 0.329 4.668 4.340 -0.001 0.000 0.275 101 L C -0.550 176.114 176.870 -0.344 0.000 1.099 101 L CA -0.931 53.729 54.840 -0.300 0.000 0.808 101 L CB 1.033 42.794 42.059 -0.497 0.000 1.149 101 L HN 0.104 nan 8.230 nan 0.000 0.442 102 V N 3.278 123.064 119.914 -0.214 0.000 2.350 102 V HA 0.375 4.495 4.120 -0.001 0.000 0.285 102 V C -0.412 175.737 176.094 0.092 0.000 1.014 102 V CA -0.461 61.758 62.300 -0.135 0.000 0.831 102 V CB 1.206 32.975 31.823 -0.090 0.000 1.000 102 V HN 0.329 nan 8.190 nan 0.000 0.433 103 F N 2.337 122.230 119.950 -0.096 0.000 2.421 103 F HA 0.670 5.196 4.527 -0.001 0.000 0.337 103 F C 1.068 176.802 175.800 -0.111 0.000 1.105 103 F CA -1.431 56.513 58.000 -0.093 0.000 1.049 103 F CB 1.623 40.571 39.000 -0.087 0.000 1.139 103 F HN 0.545 nan 8.300 nan 0.000 0.479 104 G N 1.439 110.266 108.800 0.044 0.000 2.361 104 G HA2 0.268 4.227 3.960 -0.001 0.000 0.260 104 G HA3 0.268 4.227 3.960 -0.001 0.000 0.260 104 G C -1.025 173.805 174.900 -0.116 0.000 1.261 104 G CA -0.235 44.832 45.100 -0.056 0.000 0.897 104 G HN 0.557 nan 8.290 nan 0.000 0.499 105 D N 1.997 122.352 120.400 -0.075 0.000 2.414 105 D HA 0.362 5.002 4.640 -0.001 0.000 0.232 105 D C -0.043 176.212 176.300 -0.075 0.000 1.070 105 D CA -0.544 53.414 54.000 -0.070 0.000 0.839 105 D CB 0.619 41.428 40.800 0.015 0.000 1.079 105 D HN 0.042 nan 8.370 nan 0.000 0.521 106 I N 3.101 123.576 120.570 -0.158 0.000 2.436 106 I HA 0.545 4.714 4.170 -0.001 0.000 0.289 106 I C 1.011 177.101 176.117 -0.045 0.000 1.010 106 I CA -0.751 60.506 61.300 -0.072 0.000 1.098 106 I CB 1.100 39.118 38.000 0.030 0.000 1.266 106 I HN 0.398 nan 8.210 nan 0.000 0.434 107 G N 6.678 115.214 108.800 -0.440 0.000 2.705 107 G HA2 0.746 4.706 3.960 -0.001 0.000 0.299 107 G HA3 0.746 4.706 3.960 -0.001 0.000 0.299 107 G C -2.815 171.727 174.900 -0.596 0.000 1.315 107 G CA -1.204 43.374 45.100 -0.870 0.000 1.045 107 G HN 0.381 nan 8.290 nan 0.000 0.517 108 P HA 0.124 nan 4.420 nan 0.000 0.276 108 P C 0.800 177.922 177.300 -0.296 0.000 1.261 108 P CA 0.181 62.796 63.100 -0.808 0.000 0.800 108 P CB 1.261 32.384 31.700 -0.961 0.000 1.066 109 T N -4.195 110.273 114.554 -0.144 0.000 2.978 109 T HA 0.191 4.540 4.350 -0.001 0.000 0.262 109 T C 1.229 175.918 174.700 -0.018 0.000 1.063 109 T CA 0.918 62.983 62.100 -0.060 0.000 1.140 109 T CB -1.198 67.677 68.868 0.012 0.000 0.886 109 T HN 0.765 nan 8.240 nan 0.000 0.470 110 G N 1.290 110.073 108.800 -0.029 0.000 2.270 110 G HA2 -0.093 3.866 3.960 -0.001 0.000 0.224 110 G HA3 -0.093 3.866 3.960 -0.001 0.000 0.224 110 G C -0.555 174.377 174.900 0.053 0.000 1.079 110 G CA -0.296 44.807 45.100 0.006 0.000 0.807 110 G HN 0.570 nan 8.290 nan 0.000 0.492 111 E N 0.014 120.281 120.200 0.112 0.000 2.241 111 E HA 0.452 4.801 4.350 -0.001 0.000 0.263 111 E C 0.615 177.359 176.600 0.240 0.000 0.882 111 E CA -0.654 55.841 56.400 0.159 0.000 0.769 111 E CB 1.701 31.508 29.700 0.179 0.000 1.185 111 E HN 0.367 nan 8.360 nan 0.000 0.415 112 L N 3.619 124.924 121.223 0.136 0.000 2.452 112 L HA 0.288 4.627 4.340 -0.001 0.000 0.267 112 L C -2.043 174.923 176.870 0.160 0.000 1.188 112 L CA -1.627 53.283 54.840 0.117 0.000 0.821 112 L CB 0.151 42.230 42.059 0.032 0.000 1.102 112 L HN 0.125 nan 8.230 nan 0.000 0.470 113 P HA 0.050 nan 4.420 nan 0.000 0.278 113 P C -1.078 176.164 177.300 -0.097 0.000 1.238 113 P CA -0.358 62.802 63.100 0.101 0.000 0.794 113 P CB 0.367 32.096 31.700 0.048 0.000 0.955 114 Y N 5.698 125.920 120.300 -0.130 0.000 2.597 114 Y HA 0.079 4.628 4.550 -0.001 0.000 0.336 114 Y C -1.367 174.407 175.900 -0.211 0.000 1.216 114 Y CA -1.433 56.589 58.100 -0.130 0.000 1.463 114 Y CB 0.169 38.581 38.460 -0.081 0.000 1.303 114 Y HN 0.381 nan 8.280 nan 0.000 0.576 115 P HA -0.036 nan 4.420 nan 0.000 0.249 115 P C 1.144 178.256 177.300 -0.313 0.000 1.229 115 P CA 0.802 63.382 63.100 -0.866 0.000 0.788 115 P CB 0.323 31.541 31.700 -0.803 0.000 1.072 116 L N -0.980 120.073 121.223 -0.285 0.000 2.056 116 L HA -0.019 4.320 4.340 -0.001 0.000 0.207 116 L C 1.948 178.788 176.870 -0.050 0.000 1.078 116 L CA 1.838 56.593 54.840 -0.142 0.000 0.749 116 L CB -0.893 41.070 42.059 -0.160 0.000 0.901 116 L HN 0.127 nan 8.230 nan 0.000 0.433 117 G N -1.974 106.814 108.800 -0.020 0.000 3.356 117 G HA2 0.305 4.264 3.960 -0.001 0.000 0.178 117 G HA3 0.305 4.264 3.960 -0.001 0.000 0.178 117 G C 0.130 175.090 174.900 0.100 0.000 1.175 117 G CA 0.564 45.685 45.100 0.035 0.000 0.840 117 G HN 0.160 nan 8.290 nan 0.000 0.658 118 S N -0.828 114.911 115.700 0.066 0.000 3.082 118 S HA 0.304 4.773 4.470 -0.001 0.000 0.253 118 S C -0.209 174.356 174.600 -0.059 0.000 0.961 118 S CA -0.158 58.077 58.200 0.059 0.000 1.129 118 S CB 0.380 63.577 63.200 -0.007 0.000 1.083 118 S HN 0.402 nan 8.310 nan 0.000 0.605 119 T N 3.263 117.761 114.554 -0.093 0.000 2.795 119 T HA 0.576 4.925 4.350 -0.001 0.000 0.282 119 T C -0.117 174.444 174.700 -0.232 0.000 0.980 119 T CA -0.487 61.426 62.100 -0.312 0.000 1.012 119 T CB 1.100 69.542 68.868 -0.710 0.000 0.936 119 T HN 0.292 nan 8.240 nan 0.000 0.457 120 L N 2.547 123.639 121.223 -0.218 0.000 2.399 120 L HA 0.410 4.750 4.340 -0.001 0.000 0.265 120 L C 1.552 178.426 176.870 0.005 0.000 1.089 120 L CA -0.817 54.004 54.840 -0.031 0.000 0.802 120 L CB 0.542 42.594 42.059 -0.011 0.000 1.180 120 L HN 0.643 nan 8.230 nan 0.000 0.454 121 F N 1.518 121.530 119.950 0.103 0.000 2.087 121 F HA -0.317 4.209 4.527 -0.001 0.000 0.299 121 F C 2.307 178.232 175.800 0.207 0.000 1.100 121 F CA 2.233 60.380 58.000 0.244 0.000 1.226 121 F CB 0.097 39.207 39.000 0.184 0.000 0.983 121 F HN 0.670 nan 8.300 nan 0.000 0.479 122 E N 0.577 120.909 120.200 0.220 0.000 2.130 122 E HA -0.274 4.075 4.350 -0.001 0.000 0.196 122 E C 2.169 178.777 176.600 0.012 0.000 0.998 122 E CA 1.811 58.284 56.400 0.122 0.000 0.806 122 E CB -0.438 29.343 29.700 0.135 0.000 0.738 122 E HN 0.668 nan 8.360 nan 0.000 0.459 123 E N -1.064 119.077 120.200 -0.099 0.000 2.051 123 E HA -0.187 4.162 4.350 -0.001 0.000 0.192 123 E C 1.891 178.384 176.600 -0.179 0.000 0.991 123 E CA 1.199 57.490 56.400 -0.182 0.000 0.799 123 E CB -0.256 29.253 29.700 -0.319 0.000 0.748 123 E HN 0.390 nan 8.360 nan 0.000 0.449 124 F N -0.519 119.332 119.950 -0.164 0.000 2.134 124 F HA -0.244 4.282 4.527 -0.001 0.000 0.299 124 F C 2.371 178.071 175.800 -0.166 0.000 1.097 124 F CA 1.026 58.902 58.000 -0.206 0.000 1.264 124 F CB -0.374 38.564 39.000 -0.104 0.000 1.001 124 F HN 0.180 nan 8.300 nan 0.000 0.479 125 Y N 1.613 121.820 120.300 -0.154 0.000 2.097 125 Y HA -0.285 4.265 4.550 -0.001 0.000 0.282 125 Y C 2.411 178.310 175.900 -0.001 0.000 1.152 125 Y CA 1.827 59.852 58.100 -0.125 0.000 1.136 125 Y CB -0.512 37.816 38.460 -0.220 0.000 0.975 125 Y HN -0.037 nan 8.280 nan 0.000 0.498 126 E N 0.260 120.438 120.200 -0.037 0.000 2.023 126 E HA -0.286 4.063 4.350 -0.001 0.000 0.196 126 E C 2.001 178.509 176.600 -0.154 0.000 1.003 126 E CA 1.525 57.861 56.400 -0.107 0.000 0.809 126 E CB -1.128 28.560 29.700 -0.020 0.000 0.755 126 E HN 0.564 nan 8.360 nan 0.000 0.449 127 N N 0.259 118.851 118.700 -0.180 0.000 2.069 127 N HA -0.209 4.531 4.740 -0.001 0.000 0.196 127 N C 1.585 176.938 175.510 -0.261 0.000 1.024 127 N CA 1.570 54.459 53.050 -0.267 0.000 0.869 127 N CB -0.292 37.951 38.487 -0.406 0.000 1.035 127 N HN 0.019 nan 8.380 nan 0.000 0.434 128 F N 0.381 120.305 119.950 -0.043 0.000 2.293 128 F HA 0.233 4.759 4.527 -0.001 0.000 0.297 128 F C 2.555 178.321 175.800 -0.057 0.000 1.089 128 F CA 0.417 58.413 58.000 -0.006 0.000 1.377 128 F CB -0.622 38.387 39.000 0.015 0.000 1.051 128 F HN 0.050 nan 8.300 nan 0.000 0.511 129 R N 0.975 121.455 120.500 -0.033 0.000 2.096 129 R HA -0.241 4.099 4.340 -0.001 0.000 0.240 129 R C 2.186 178.462 176.300 -0.040 0.000 1.139 129 R CA 2.098 58.120 56.100 -0.130 0.000 0.952 129 R CB -0.487 29.604 30.300 -0.348 0.000 0.854 129 R HN 0.404 nan 8.270 nan 0.000 0.436 130 E N -0.764 119.411 120.200 -0.041 0.000 2.058 130 E HA -0.157 4.192 4.350 -0.001 0.000 0.194 130 E C 1.486 178.090 176.600 0.007 0.000 0.997 130 E CA 1.937 58.325 56.400 -0.021 0.000 0.801 130 E CB 0.004 29.683 29.700 -0.035 0.000 0.746 130 E HN 0.306 nan 8.360 nan 0.000 0.450 131 T N 0.115 114.691 114.554 0.036 0.000 2.867 131 T HA -0.074 4.276 4.350 -0.001 0.000 0.268 131 T C 1.819 176.546 174.700 0.044 0.000 1.057 131 T CA 1.033 63.162 62.100 0.049 0.000 1.136 131 T CB 0.036 68.959 68.868 0.092 0.000 0.874 131 T HN 0.032 nan 8.240 nan 0.000 0.466 132 V N 1.351 121.303 119.914 0.063 0.000 2.548 132 V HA -0.078 4.042 4.120 -0.001 0.000 0.249 132 V C 2.562 178.665 176.094 0.015 0.000 1.055 132 V CA 1.458 63.779 62.300 0.036 0.000 1.065 132 V CB -0.478 31.387 31.823 0.071 0.000 0.681 132 V HN 0.376 nan 8.190 nan 0.000 0.462 133 E N 0.986 121.194 120.200 0.014 0.000 2.077 133 E HA -0.197 4.153 4.350 -0.001 0.000 0.193 133 E C 1.958 178.562 176.600 0.006 0.000 0.989 133 E CA 1.705 58.110 56.400 0.008 0.000 0.800 133 E CB -0.361 29.341 29.700 0.003 0.000 0.746 133 E HN 0.593 nan 8.360 nan 0.000 0.452 134 I N -0.129 120.445 120.570 0.005 0.000 2.315 134 I HA -0.271 3.899 4.170 -0.001 0.000 0.248 134 I C 2.421 178.538 176.117 0.001 0.000 1.117 134 I CA 1.148 62.450 61.300 0.003 0.000 1.404 134 I CB -0.310 37.693 38.000 0.004 0.000 1.071 134 I HN 0.212 nan 8.210 nan 0.000 0.419 135 M N -0.211 119.388 119.600 -0.002 0.000 2.156 135 M HA -0.124 4.355 4.480 -0.001 0.000 0.264 135 M C 2.374 178.671 176.300 -0.005 0.000 1.067 135 M CA 1.290 56.585 55.300 -0.008 0.000 1.131 135 M CB -0.428 32.158 32.600 -0.023 0.000 1.368 135 M HN 0.031 nan 8.290 nan 0.000 0.416 136 V N 0.831 120.742 119.914 -0.004 0.000 2.568 136 V HA -0.235 3.885 4.120 -0.001 0.000 0.253 136 V C 2.102 178.199 176.094 0.005 0.000 1.072 136 V CA 1.736 64.037 62.300 0.001 0.000 1.084 136 V CB -0.785 31.041 31.823 0.004 0.000 0.676 136 V HN 0.479 nan 8.190 nan 0.000 0.469 137 E N -0.338 119.865 120.200 0.004 0.000 2.028 137 E HA -0.160 4.189 4.350 -0.001 0.000 0.190 137 E C 2.219 178.822 176.600 0.004 0.000 0.984 137 E CA 1.000 57.403 56.400 0.005 0.000 0.800 137 E CB -0.135 29.568 29.700 0.005 0.000 0.758 137 E HN 0.529 nan 8.360 nan 0.000 0.448 138 E N -0.007 120.195 120.200 0.003 0.000 2.338 138 E HA -0.040 4.309 4.350 -0.001 0.000 0.197 138 E C 0.538 177.139 176.600 0.003 0.000 1.007 138 E CA 0.751 57.153 56.400 0.003 0.000 0.849 138 E CB 0.110 29.811 29.700 0.002 0.000 0.774 138 E HN 0.342 nan 8.360 nan 0.000 0.506 139 G N 1.083 109.885 108.800 0.004 0.000 2.929 139 G HA2 -0.147 3.812 3.960 -0.001 0.000 0.335 139 G HA3 -0.147 3.812 3.960 -0.001 0.000 0.335 139 G C -0.042 174.864 174.900 0.010 0.000 1.054 139 G CA 0.111 45.215 45.100 0.007 0.000 1.067 139 G HN 0.263 nan 8.290 nan 0.000 0.472 140 V N -0.793 119.132 119.914 0.018 0.000 2.815 140 V HA 0.828 4.947 4.120 -0.001 0.000 0.314 140 V C 0.665 176.801 176.094 0.070 0.000 1.064 140 V CA -0.430 61.893 62.300 0.039 0.000 0.952 140 V CB 2.223 34.063 31.823 0.028 0.000 1.020 140 V HN 0.313 nan 8.190 nan 0.000 0.439 141 D N 1.909 122.395 120.400 0.142 0.000 2.355 141 D HA 0.381 5.020 4.640 -0.001 0.000 0.218 141 D C 0.747 177.198 176.300 0.251 0.000 1.004 141 D CA 1.608 55.724 54.000 0.194 0.000 0.880 141 D CB 0.820 41.733 40.800 0.188 0.000 0.911 141 D HN 1.140 nan 8.370 nan 0.000 0.528 142 G N -0.248 108.628 108.800 0.126 0.000 2.325 142 G HA2 0.399 4.359 3.960 -0.001 0.000 0.297 142 G HA3 0.399 4.359 3.960 -0.001 0.000 0.297 142 G C -1.679 173.014 174.900 -0.344 0.000 1.448 142 G CA -0.865 44.069 45.100 -0.276 0.000 0.838 142 G HN 0.012 nan 8.290 nan 0.000 0.579 143 I N 0.418 120.727 120.570 -0.436 0.000 2.646 143 I HA 0.680 4.850 4.170 -0.001 0.000 0.299 143 I C -0.669 175.095 176.117 -0.588 0.000 1.036 143 I CA -1.066 59.963 61.300 -0.453 0.000 1.074 143 I CB 2.390 40.118 38.000 -0.454 0.000 1.258 143 I HN 0.526 nan 8.210 nan 0.000 0.430 144 I N 4.828 125.040 120.570 -0.597 0.000 2.534 144 I HA 0.370 4.539 4.170 -0.001 0.000 0.286 144 I C -1.488 174.272 176.117 -0.595 0.000 1.094 144 I CA -0.376 60.596 61.300 -0.546 0.000 1.055 144 I CB 1.238 39.039 38.000 -0.333 0.000 1.225 144 I HN 0.348 nan 8.210 nan 0.000 0.435 145 F N 6.510 126.245 119.950 -0.358 0.000 2.404 145 F HA 0.379 4.906 4.527 -0.001 0.000 0.359 145 F C 0.679 176.340 175.800 -0.232 0.000 1.134 145 F CA -0.213 57.547 58.000 -0.399 0.000 1.160 145 F CB 0.619 39.020 39.000 -0.997 0.000 1.186 145 F HN 0.416 nan 8.300 nan 0.000 0.526 146 E N 0.891 121.211 120.200 0.201 0.000 2.248 146 E HA 0.279 4.628 4.350 -0.001 0.000 0.272 146 E C -0.025 176.887 176.600 0.520 0.000 1.008 146 E CA -0.466 56.126 56.400 0.320 0.000 0.856 146 E CB 1.343 31.255 29.700 0.352 0.000 1.120 146 E HN 0.648 nan 8.360 nan 0.000 0.397 147 T N 1.351 116.162 114.554 0.427 0.000 3.882 147 T HA -0.233 4.117 4.350 -0.001 0.000 0.366 147 T C -0.393 174.416 174.700 0.182 0.000 0.760 147 T CA 0.522 62.792 62.100 0.284 0.000 1.931 147 T CB -1.562 67.514 68.868 0.345 0.000 1.807 147 T HN 0.243 nan 8.240 nan 0.000 0.790 148 F N 0.768 120.644 119.950 -0.123 0.000 2.396 148 F HA 0.502 5.029 4.527 -0.001 0.000 0.343 148 F C 1.494 177.129 175.800 -0.275 0.000 1.104 148 F CA -0.910 56.970 58.000 -0.199 0.000 1.161 148 F CB 1.682 40.526 39.000 -0.260 0.000 1.146 148 F HN 0.065 nan 8.300 nan 0.000 0.522 149 S N 0.255 115.888 115.700 -0.112 0.000 2.523 149 S HA 0.046 4.516 4.470 -0.001 0.000 0.217 149 S C -0.395 174.151 174.600 -0.090 0.000 0.996 149 S CA -0.112 58.002 58.200 -0.144 0.000 0.921 149 S CB -0.105 63.029 63.200 -0.110 0.000 0.829 149 S HN 0.686 nan 8.310 nan 0.000 0.495 150 D N 0.585 120.967 120.400 -0.030 0.000 2.780 150 D HA 0.304 4.944 4.640 -0.001 0.000 0.242 150 D C 1.145 177.511 176.300 0.109 0.000 1.135 150 D CA -0.594 53.434 54.000 0.047 0.000 0.859 150 D CB 0.963 41.798 40.800 0.058 0.000 1.530 150 D HN -0.034 nan 8.370 nan 0.000 0.493 151 I N 2.287 122.957 120.570 0.168 0.000 2.546 151 I HA -0.058 4.111 4.170 -0.001 0.000 0.255 151 I C 1.459 177.758 176.117 0.304 0.000 1.163 151 I CA 0.738 62.229 61.300 0.318 0.000 1.457 151 I CB -0.946 37.256 38.000 0.337 0.000 1.092 151 I HN 0.504 nan 8.210 nan 0.000 0.434 152 L N 1.294 122.667 121.223 0.249 0.000 2.027 152 L HA -0.155 4.184 4.340 -0.001 0.000 0.206 152 L C 2.569 179.597 176.870 0.263 0.000 1.074 152 L CA 1.908 56.933 54.840 0.308 0.000 0.745 152 L CB -0.405 41.897 42.059 0.404 0.000 0.898 152 L HN 0.367 nan 8.230 nan 0.000 0.433 153 E N -0.351 119.863 120.200 0.023 0.000 2.077 153 E HA -0.269 4.080 4.350 -0.001 0.000 0.193 153 E C 2.163 178.763 176.600 0.001 0.000 0.989 153 E CA 1.162 57.382 56.400 -0.301 0.000 0.800 153 E CB 0.018 29.364 29.700 -0.590 0.000 0.746 153 E HN 0.348 nan 8.360 nan 0.000 0.452 154 L N 1.352 122.639 121.223 0.106 0.000 2.156 154 L HA -0.105 4.234 4.340 -0.001 0.000 0.208 154 L C 2.158 179.006 176.870 -0.037 0.000 1.095 154 L CA 1.658 56.377 54.840 -0.202 0.000 0.770 154 L CB -0.232 41.623 42.059 -0.340 0.000 0.914 154 L HN -0.079 nan 8.230 nan 0.000 0.439 155 K N -0.778 119.819 120.400 0.329 0.000 2.097 155 K HA -0.108 4.211 4.320 -0.001 0.000 0.205 155 K C 1.985 178.789 176.600 0.339 0.000 1.050 155 K CA 1.070 57.578 56.287 0.368 0.000 0.938 155 K CB -0.105 32.554 32.500 0.265 0.000 0.718 155 K HN 0.437 nan 8.250 nan 0.000 0.442 156 A N 1.223 124.239 122.820 0.327 0.000 1.877 156 A HA -0.111 4.209 4.320 -0.001 0.000 0.216 156 A C 2.327 179.937 177.584 0.043 0.000 1.186 156 A CA 1.849 53.972 52.037 0.144 0.000 0.620 156 A CB -0.880 18.006 19.000 -0.189 0.000 0.822 156 A HN 0.444 nan 8.150 nan 0.000 0.443 157 A N 0.053 122.673 122.820 -0.333 0.000 1.859 157 A HA -0.113 4.206 4.320 -0.001 0.000 0.217 157 A C 2.376 179.363 177.584 -0.995 0.000 1.198 157 A CA 2.999 54.367 52.037 -1.115 0.000 0.629 157 A CB -1.514 16.125 19.000 -2.267 0.000 0.830 157 A HN 1.200 nan 8.150 nan 0.000 0.446 158 V N -2.473 116.975 119.914 -0.776 0.000 2.407 158 V HA -0.157 3.962 4.120 -0.001 0.000 0.248 158 V C 2.187 178.284 176.094 0.004 0.000 1.055 158 V CA 1.692 63.835 62.300 -0.260 0.000 1.049 158 V CB -0.950 30.852 31.823 -0.036 0.000 0.662 158 V HN 0.378 nan 8.190 nan 0.000 0.455 159 L N 0.487 121.770 121.223 0.101 0.000 2.156 159 L HA 0.052 4.391 4.340 -0.001 0.000 0.208 159 L C 2.853 179.936 176.870 0.354 0.000 1.095 159 L CA 2.214 57.201 54.840 0.245 0.000 0.770 159 L CB -1.437 40.865 42.059 0.405 0.000 0.914 159 L HN 0.501 nan 8.230 nan 0.000 0.439 160 A N -0.368 122.630 122.820 0.298 0.000 1.897 160 A HA -0.050 4.269 4.320 -0.001 0.000 0.215 160 A C 2.515 180.142 177.584 0.071 0.000 1.181 160 A CA 1.431 53.511 52.037 0.073 0.000 0.620 160 A CB -0.493 18.354 19.000 -0.257 0.000 0.821 160 A HN 0.372 nan 8.150 nan 0.000 0.443 161 A N -0.143 122.751 122.820 0.124 0.000 1.877 161 A HA -0.176 4.143 4.320 -0.001 0.000 0.216 161 A C 2.166 179.809 177.584 0.099 0.000 1.186 161 A CA 2.126 54.258 52.037 0.158 0.000 0.620 161 A CB -0.437 18.755 19.000 0.321 0.000 0.822 161 A HN 0.393 nan 8.150 nan 0.000 0.443 162 R N 0.375 120.932 120.500 0.096 0.000 2.237 162 R HA -0.101 4.239 4.340 -0.001 0.000 0.219 162 R C 1.785 178.124 176.300 0.064 0.000 1.080 162 R CA 1.695 57.831 56.100 0.060 0.000 0.995 162 R CB -0.448 29.875 30.300 0.038 0.000 0.875 162 R HN 0.694 nan 8.270 nan 0.000 0.462 163 E N -0.996 119.267 120.200 0.105 0.000 2.112 163 E HA -0.055 4.295 4.350 -0.001 0.000 0.190 163 E C 1.492 178.141 176.600 0.081 0.000 0.979 163 E CA 1.280 57.753 56.400 0.122 0.000 0.814 163 E CB -0.174 29.672 29.700 0.243 0.000 0.762 163 E HN 0.105 nan 8.360 nan 0.000 0.460 164 V N -0.306 119.645 119.914 0.062 0.000 2.453 164 V HA 0.002 4.121 4.120 -0.001 0.000 0.247 164 V C 1.128 177.242 176.094 0.034 0.000 1.048 164 V CA 1.273 63.597 62.300 0.040 0.000 1.049 164 V CB -0.080 31.760 31.823 0.028 0.000 0.672 164 V HN 0.271 nan 8.190 nan 0.000 0.457 165 S N -1.388 114.331 115.700 0.033 0.000 2.566 165 S HA 0.519 4.988 4.470 -0.001 0.000 0.273 165 S C -0.101 174.513 174.600 0.024 0.000 1.157 165 S CA -0.728 57.487 58.200 0.025 0.000 0.938 165 S CB 1.592 64.803 63.200 0.018 0.000 1.087 165 S HN 0.284 nan 8.310 nan 0.000 0.474 166 R N 2.089 122.602 120.500 0.022 0.000 2.507 166 R HA 0.305 4.644 4.340 -0.001 0.000 0.298 166 R C -0.216 176.097 176.300 0.022 0.000 0.999 166 R CA 0.053 56.164 56.100 0.017 0.000 1.082 166 R CB 0.300 30.608 30.300 0.014 0.000 1.246 166 R HN 0.468 nan 8.270 nan 0.000 0.553 167 D N -0.992 119.424 120.400 0.027 0.000 2.473 167 D HA 0.011 4.650 4.640 -0.001 0.000 0.230 167 D C -0.102 176.229 176.300 0.051 0.000 1.097 167 D CA 0.207 54.231 54.000 0.039 0.000 0.861 167 D CB 0.792 41.613 40.800 0.036 0.000 1.114 167 D HN -0.094 nan 8.370 nan 0.000 0.500 168 V N 1.645 121.580 119.914 0.034 0.000 2.637 168 V HA 0.113 4.232 4.120 -0.001 0.000 0.296 168 V C -0.261 175.857 176.094 0.039 0.000 1.046 168 V CA -0.531 61.789 62.300 0.033 0.000 1.066 168 V CB 0.292 32.110 31.823 -0.008 0.000 0.968 168 V HN -0.035 nan 8.190 nan 0.000 0.483 169 F N 7.014 126.895 119.950 -0.115 0.000 2.578 169 F HA 0.356 4.882 4.527 -0.001 0.000 0.376 169 F C 0.003 175.656 175.800 -0.245 0.000 1.085 169 F CA 0.173 58.080 58.000 -0.156 0.000 1.260 169 F CB 0.315 39.192 39.000 -0.206 0.000 1.095 169 F HN 0.388 nan 8.300 nan 0.000 0.573 170 L N 7.786 128.685 121.223 -0.539 0.000 2.333 170 L HA 0.501 4.840 4.340 -0.001 0.000 0.280 170 L C -0.869 175.747 176.870 -0.425 0.000 1.004 170 L CA -0.667 53.942 54.840 -0.386 0.000 0.820 170 L CB 1.679 43.627 42.059 -0.185 0.000 1.247 170 L HN 0.490 nan 8.230 nan 0.000 0.416 171 I N 3.371 123.746 120.570 -0.325 0.000 2.418 171 I HA 0.501 4.671 4.170 -0.001 0.000 0.287 171 I C -0.064 175.969 176.117 -0.139 0.000 1.008 171 I CA -0.467 60.706 61.300 -0.212 0.000 1.104 171 I CB 1.995 39.870 38.000 -0.208 0.000 1.264 171 I HN 0.564 nan 8.210 nan 0.000 0.438 172 A N 6.180 128.984 122.820 -0.027 0.000 2.271 172 A HA 0.596 4.915 4.320 -0.001 0.000 0.317 172 A C -0.841 176.841 177.584 0.162 0.000 1.245 172 A CA -0.312 51.693 52.037 -0.054 0.000 0.857 172 A CB 0.244 19.131 19.000 -0.188 0.000 1.175 172 A HN 0.811 nan 8.150 nan 0.000 0.512 173 H N 1.520 120.517 119.070 -0.121 0.000 2.573 173 H HA 0.645 5.201 4.556 -0.001 0.000 0.351 173 H C -0.599 174.556 175.328 -0.289 0.000 1.163 173 H CA -0.817 55.192 56.048 -0.064 0.000 1.205 173 H CB 1.835 31.610 29.762 0.022 0.000 1.605 173 H HN 0.580 nan 8.280 nan 0.000 0.525 174 M N 1.259 120.652 119.600 -0.347 0.000 2.550 174 M HA 0.193 4.673 4.480 -0.001 0.000 0.292 174 M C -0.762 175.225 176.300 -0.522 0.000 1.221 174 M CA -0.595 54.303 55.300 -0.671 0.000 0.873 174 M CB 2.871 34.606 32.600 -1.440 0.000 1.727 174 M HN 0.467 nan 8.290 nan 0.000 0.459 175 T N 2.055 116.270 114.554 -0.564 0.000 2.807 175 T HA 0.753 5.102 4.350 -0.001 0.000 0.279 175 T C -1.384 172.983 174.700 -0.554 0.000 0.993 175 T CA -0.280 61.616 62.100 -0.340 0.000 0.970 175 T CB 0.436 69.230 68.868 -0.123 0.000 0.950 175 T HN 0.351 nan 8.240 nan 0.000 0.441 176 F N 2.511 122.440 119.950 -0.036 0.000 2.557 176 F HA 0.544 5.070 4.527 -0.001 0.000 0.336 176 F C 0.709 176.512 175.800 0.005 0.000 1.058 176 F CA -1.115 56.876 58.000 -0.015 0.000 0.988 176 F CB 1.103 40.102 39.000 -0.002 0.000 1.275 176 F HN 0.599 nan 8.300 nan 0.000 0.488 177 D N -1.025 119.501 120.400 0.211 0.000 2.511 177 D HA 0.184 4.823 4.640 -0.001 0.000 0.276 177 D C 0.691 177.062 176.300 0.118 0.000 1.220 177 D CA -0.445 53.630 54.000 0.125 0.000 1.077 177 D CB 0.300 41.151 40.800 0.086 0.000 1.126 177 D HN 0.551 nan 8.370 nan 0.000 0.583 178 E N -0.271 119.977 120.200 0.079 0.000 2.130 178 E HA -0.221 4.128 4.350 -0.001 0.000 0.196 178 E C 1.480 178.116 176.600 0.059 0.000 0.998 178 E CA 1.080 57.518 56.400 0.062 0.000 0.806 178 E CB -0.230 29.498 29.700 0.046 0.000 0.738 178 E HN 0.474 nan 8.360 nan 0.000 0.459 179 K N -0.312 120.126 120.400 0.064 0.000 2.418 179 K HA 0.043 4.362 4.320 -0.001 0.000 0.195 179 K C 0.799 177.436 176.600 0.061 0.000 1.035 179 K CA 0.506 56.827 56.287 0.055 0.000 1.003 179 K CB 0.403 32.935 32.500 0.052 0.000 0.793 179 K HN 0.233 nan 8.250 nan 0.000 0.494 180 G N 2.207 111.064 108.800 0.095 0.000 2.303 180 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.260 180 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.260 180 G C -0.593 174.418 174.900 0.184 0.000 1.106 180 G CA -0.273 44.873 45.100 0.076 0.000 0.900 180 G HN 0.189 nan 8.290 nan 0.000 0.495 181 R N -0.336 120.358 120.500 0.324 0.000 2.626 181 R HA 0.607 4.947 4.340 -0.001 0.000 0.274 181 R C 0.544 176.987 176.300 0.239 0.000 1.031 181 R CA -0.182 56.122 56.100 0.339 0.000 0.898 181 R CB 1.734 32.129 30.300 0.158 0.000 1.222 181 R HN 0.590 nan 8.270 nan 0.000 0.455 182 S N 1.088 116.846 115.700 0.096 0.000 2.626 182 S HA 0.060 4.529 4.470 -0.001 0.000 0.257 182 S C 1.257 175.828 174.600 -0.049 0.000 1.288 182 S CA -0.587 57.512 58.200 -0.167 0.000 0.980 182 S CB 0.600 63.638 63.200 -0.270 0.000 0.975 182 S HN 0.616 nan 8.310 nan 0.000 0.577 183 L N 1.110 122.291 121.223 -0.070 0.000 2.012 183 L HA -0.054 4.285 4.340 -0.001 0.000 0.210 183 L C 2.480 179.363 176.870 0.023 0.000 1.073 183 L CA 2.638 57.468 54.840 -0.016 0.000 0.748 183 L CB -1.250 40.796 42.059 -0.022 0.000 0.891 183 L HN 1.039 nan 8.230 nan 0.000 0.431 184 T N -3.320 111.257 114.554 0.038 0.000 3.188 184 T HA 0.414 4.763 4.350 -0.001 0.000 0.250 184 T C 1.178 175.913 174.700 0.058 0.000 1.077 184 T CA 0.166 62.321 62.100 0.092 0.000 0.967 184 T CB -0.291 68.695 68.868 0.197 0.000 1.006 184 T HN 0.679 nan 8.240 nan 0.000 0.552 185 G N 0.702 109.527 108.800 0.043 0.000 2.131 185 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.223 185 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.223 185 G C 0.022 174.961 174.900 0.065 0.000 0.990 185 G CA -0.133 44.995 45.100 0.048 0.000 0.671 185 G HN 0.652 nan 8.290 nan 0.000 0.521 186 T N 1.677 116.285 114.554 0.090 0.000 2.845 186 T HA 0.522 4.871 4.350 -0.001 0.000 0.288 186 T C 0.246 175.133 174.700 0.312 0.000 0.980 186 T CA 0.357 62.552 62.100 0.159 0.000 1.071 186 T CB 1.594 70.562 68.868 0.167 0.000 0.941 186 T HN 0.543 nan 8.240 nan 0.000 0.487 187 D N 2.587 123.134 120.400 0.245 0.000 2.387 187 D HA 0.344 4.983 4.640 -0.001 0.000 0.255 187 D C -2.064 174.319 176.300 0.139 0.000 1.081 187 D CA -2.504 51.604 54.000 0.180 0.000 0.994 187 D CB 0.263 41.086 40.800 0.038 0.000 1.127 187 D HN 0.065 nan 8.370 nan 0.000 0.513 188 P HA -0.167 nan 4.420 nan 0.000 0.216 188 P C 1.137 178.444 177.300 0.012 0.000 1.150 188 P CA 2.682 65.674 63.100 -0.181 0.000 0.843 188 P CB 0.004 31.500 31.700 -0.340 0.000 0.787 189 A N -0.351 122.409 122.820 -0.099 0.000 1.855 189 A HA -0.243 4.077 4.320 -0.001 0.000 0.215 189 A C 2.347 179.822 177.584 -0.182 0.000 1.191 189 A CA 2.126 53.986 52.037 -0.296 0.000 0.613 189 A CB -1.761 16.875 19.000 -0.605 0.000 0.829 189 A HN 0.153 nan 8.150 nan 0.000 0.442 190 N N -0.513 118.147 118.700 -0.066 0.000 2.069 190 N HA -0.202 4.538 4.740 -0.001 0.000 0.191 190 N C 1.484 177.091 175.510 0.161 0.000 1.031 190 N CA 2.076 55.138 53.050 0.020 0.000 0.852 190 N CB -0.594 37.925 38.487 0.053 0.000 1.018 190 N HN 0.417 nan 8.380 nan 0.000 0.423 191 F N 1.089 121.120 119.950 0.134 0.000 2.126 191 F HA -0.001 4.526 4.527 -0.001 0.000 0.299 191 F C 2.103 178.059 175.800 0.261 0.000 1.096 191 F CA 1.635 59.794 58.000 0.265 0.000 1.255 191 F CB -1.020 38.175 39.000 0.324 0.000 0.997 191 F HN 0.120 nan 8.300 nan 0.000 0.479 192 A N 1.229 123.943 122.820 -0.176 0.000 1.858 192 A HA -0.131 4.188 4.320 -0.001 0.000 0.216 192 A C 2.405 179.901 177.584 -0.146 0.000 1.190 192 A CA 2.074 53.920 52.037 -0.318 0.000 0.617 192 A CB -1.310 17.616 19.000 -0.124 0.000 0.827 192 A HN 0.497 nan 8.150 nan 0.000 0.443 193 I N -0.578 119.946 120.570 -0.076 0.000 2.163 193 I HA -0.251 3.919 4.170 -0.001 0.000 0.243 193 I C 2.660 178.724 176.117 -0.088 0.000 1.085 193 I CA 1.824 63.083 61.300 -0.069 0.000 1.347 193 I CB -0.778 37.169 38.000 -0.088 0.000 1.044 193 I HN 0.270 nan 8.210 nan 0.000 0.408 194 T N 0.752 115.264 114.554 -0.070 0.000 2.674 194 T HA -0.165 4.184 4.350 -0.001 0.000 0.265 194 T C 1.559 176.087 174.700 -0.287 0.000 1.039 194 T CA 1.743 63.743 62.100 -0.166 0.000 1.150 194 T CB -0.361 68.407 68.868 -0.166 0.000 0.864 194 T HN 0.168 nan 8.240 nan 0.000 0.427 195 F N 0.959 120.841 119.950 -0.114 0.000 2.615 195 F HA 0.121 4.648 4.527 -0.001 0.000 0.297 195 F C 2.096 177.803 175.800 -0.156 0.000 1.124 195 F CA 0.235 58.159 58.000 -0.126 0.000 1.451 195 F CB -0.316 38.594 39.000 -0.150 0.000 1.103 195 F HN 0.150 nan 8.300 nan 0.000 0.569 196 D N 1.050 121.423 120.400 -0.045 0.000 2.123 196 D HA -0.242 4.398 4.640 -0.001 0.000 0.196 196 D C 1.981 178.242 176.300 -0.066 0.000 0.992 196 D CA 1.656 55.612 54.000 -0.073 0.000 0.833 196 D CB -0.173 40.576 40.800 -0.086 0.000 0.954 196 D HN 0.522 nan 8.370 nan 0.000 0.455 197 E N -0.749 119.402 120.200 -0.081 0.000 2.502 197 E HA -0.021 4.328 4.350 -0.001 0.000 0.194 197 E C 0.296 176.858 176.600 -0.064 0.000 1.062 197 E CA -0.244 56.110 56.400 -0.077 0.000 0.867 197 E CB 0.063 29.704 29.700 -0.097 0.000 0.888 197 E HN 0.196 nan 8.360 nan 0.000 0.510 198 L N 1.723 122.907 121.223 -0.065 0.000 2.479 198 L HA 0.125 4.464 4.340 -0.001 0.000 0.249 198 L C 0.577 177.430 176.870 -0.029 0.000 1.178 198 L CA 0.193 55.002 54.840 -0.052 0.000 0.811 198 L CB 0.928 42.963 42.059 -0.040 0.000 1.187 198 L HN -0.045 nan 8.230 nan 0.000 0.480 199 D N 0.622 121.005 120.400 -0.028 0.000 2.676 199 D HA 0.096 4.735 4.640 -0.001 0.000 0.239 199 D C 0.232 176.511 176.300 -0.034 0.000 1.213 199 D CA -0.131 53.851 54.000 -0.031 0.000 0.835 199 D CB -0.318 40.461 40.800 -0.035 0.000 1.009 199 D HN 0.262 nan 8.370 nan 0.000 0.479 200 I N -2.812 117.741 120.570 -0.028 0.000 3.244 200 I HA 0.332 4.501 4.170 -0.001 0.000 0.314 200 I C 0.536 176.571 176.117 -0.138 0.000 1.043 200 I CA -0.101 61.155 61.300 -0.073 0.000 1.099 200 I CB 0.742 38.722 38.000 -0.033 0.000 1.449 200 I HN -0.198 nan 8.210 nan 0.000 0.625 201 D N 1.290 121.522 120.400 -0.280 0.000 2.380 201 D HA 0.384 5.023 4.640 -0.001 0.000 0.212 201 D C 0.321 176.524 176.300 -0.161 0.000 1.021 201 D CA 0.666 54.458 54.000 -0.347 0.000 0.884 201 D CB 1.305 41.506 40.800 -0.997 0.000 1.001 201 D HN 0.715 nan 8.370 nan 0.000 0.506 202 A N 0.625 123.351 122.820 -0.157 0.000 2.589 202 A HA 0.542 4.861 4.320 -0.001 0.000 0.296 202 A C -1.514 176.109 177.584 0.066 0.000 1.062 202 A CA -0.576 51.494 52.037 0.055 0.000 0.686 202 A CB 1.534 20.658 19.000 0.205 0.000 1.282 202 A HN -0.040 nan 8.150 nan 0.000 0.404 203 L N 0.874 122.160 121.223 0.104 0.000 2.322 203 L HA 0.921 5.260 4.340 -0.001 0.000 0.269 203 L C 0.717 177.747 176.870 0.265 0.000 1.012 203 L CA 0.060 54.980 54.840 0.133 0.000 0.815 203 L CB 1.450 43.452 42.059 -0.094 0.000 1.295 203 L HN 1.159 nan 8.230 nan 0.000 0.438 204 G N 1.292 110.313 108.800 0.367 0.000 2.645 204 G HA2 0.714 4.673 3.960 -0.001 0.000 0.292 204 G HA3 0.714 4.673 3.960 -0.001 0.000 0.292 204 G C -1.760 173.040 174.900 -0.168 0.000 1.415 204 G CA -0.407 44.719 45.100 0.044 0.000 0.785 204 G HN 0.364 nan 8.290 nan 0.000 0.483 205 I N 1.334 121.693 120.570 -0.351 0.000 2.722 205 I HA 0.483 4.653 4.170 -0.001 0.000 0.295 205 I C -1.324 174.641 176.117 -0.254 0.000 1.161 205 I CA -0.994 60.232 61.300 -0.124 0.000 1.032 205 I CB 2.740 40.858 38.000 0.197 0.000 1.244 205 I HN 0.732 nan 8.210 nan 0.000 0.421 206 N N 4.179 122.815 118.700 -0.106 0.000 2.745 206 N HA 0.369 5.109 4.740 -0.001 0.000 0.256 206 N C -0.848 174.664 175.510 0.003 0.000 1.268 206 N CA -0.337 52.687 53.050 -0.043 0.000 0.887 206 N CB 1.853 40.385 38.487 0.074 0.000 1.575 206 N HN 0.825 nan 8.380 nan 0.000 0.496 207 C N -0.088 119.200 119.300 -0.020 0.000 0.168 207 C HA -0.165 4.295 4.460 -0.001 0.000 0.017 207 C C 1.803 176.799 174.990 0.009 0.000 0.171 207 C CA 1.223 60.230 59.018 -0.018 0.000 0.499 207 C CB -1.717 26.020 27.740 -0.005 0.000 3.212 207 C HN 1.377 nan 8.230 nan 0.000 1.118 208 S N -1.642 114.071 115.700 0.022 0.000 1.811 208 S HA -0.266 4.204 4.470 -0.001 0.000 0.234 208 S C -0.137 174.497 174.600 0.056 0.000 0.947 208 S CA 1.859 60.088 58.200 0.047 0.000 1.485 208 S CB -1.002 62.225 63.200 0.046 0.000 1.892 208 S HN 0.979 nan 8.310 nan 0.000 0.542 209 L N -0.104 121.142 121.223 0.039 0.000 2.250 209 L HA 0.805 5.144 4.340 -0.001 0.000 0.252 209 L C 0.650 177.504 176.870 -0.026 0.000 1.054 209 L CA -0.564 54.293 54.840 0.028 0.000 0.856 209 L CB 1.343 43.430 42.059 0.046 0.000 1.443 209 L HN 0.284 nan 8.230 nan 0.000 0.427 210 G N -1.054 107.712 108.800 -0.057 0.000 2.461 210 G HA2 0.478 4.438 3.960 -0.001 0.000 0.329 210 G HA3 0.478 4.438 3.960 -0.001 0.000 0.329 210 G C -2.313 172.453 174.900 -0.222 0.000 1.170 210 G CA -1.249 43.748 45.100 -0.172 0.000 0.935 210 G HN 0.348 nan 8.290 nan 0.000 0.492 211 P HA -0.242 nan 4.420 nan 0.000 0.219 211 P C 1.534 178.680 177.300 -0.257 0.000 1.161 211 P CA 1.806 64.681 63.100 -0.375 0.000 0.909 211 P CB 0.308 31.502 31.700 -0.843 0.000 0.793 212 E N -0.433 119.545 120.200 -0.371 0.000 2.072 212 E HA -0.217 4.132 4.350 -0.001 0.000 0.191 212 E C 1.833 178.429 176.600 -0.006 0.000 0.985 212 E CA 1.125 57.474 56.400 -0.084 0.000 0.801 212 E CB -0.191 29.529 29.700 0.033 0.000 0.750 212 E HN 0.317 nan 8.360 nan 0.000 0.452 213 E N 0.492 120.682 120.200 -0.016 0.000 2.072 213 E HA -0.169 4.180 4.350 -0.001 0.000 0.191 213 E C 2.194 178.831 176.600 0.061 0.000 0.985 213 E CA 1.031 57.445 56.400 0.023 0.000 0.801 213 E CB -0.042 29.669 29.700 0.018 0.000 0.750 213 E HN 0.342 nan 8.360 nan 0.000 0.452 214 I N 1.265 121.885 120.570 0.083 0.000 2.361 214 I HA -0.246 3.923 4.170 -0.001 0.000 0.251 214 I C 2.473 178.735 176.117 0.241 0.000 1.133 214 I CA 0.976 62.371 61.300 0.158 0.000 1.413 214 I CB -0.900 37.190 38.000 0.150 0.000 1.073 214 I HN 0.210 nan 8.210 nan 0.000 0.424 215 L N 1.406 122.754 121.223 0.207 0.000 1.997 215 L HA -0.246 4.094 4.340 -0.001 0.000 0.227 215 L C 0.069 177.018 176.870 0.131 0.000 1.087 215 L CA 2.577 57.472 54.840 0.091 0.000 0.797 215 L CB -1.801 40.227 42.059 -0.051 0.000 0.902 215 L HN 0.202 nan 8.230 nan 0.000 0.441 216 P HA -0.152 nan 4.420 nan 0.000 0.217 216 P C 1.715 179.056 177.300 0.068 0.000 1.151 216 P CA 1.496 64.636 63.100 0.067 0.000 0.828 216 P CB 0.047 31.771 31.700 0.040 0.000 0.788 217 I N -0.677 119.932 120.570 0.065 0.000 2.113 217 I HA -0.217 3.953 4.170 -0.001 0.000 0.238 217 I C 2.552 178.691 176.117 0.036 0.000 1.070 217 I CA 1.408 62.693 61.300 -0.025 0.000 1.332 217 I CB -1.105 36.855 38.000 -0.066 0.000 1.044 217 I HN -0.202 nan 8.210 nan 0.000 0.402 218 F N 1.078 121.048 119.950 0.034 0.000 2.115 218 F HA -0.365 4.161 4.527 -0.001 0.000 0.300 218 F C 2.695 178.546 175.800 0.086 0.000 1.092 218 F CA 2.265 60.331 58.000 0.110 0.000 1.245 218 F CB -0.401 38.781 39.000 0.303 0.000 0.995 218 F HN 0.150 nan 8.300 nan 0.000 0.481 219 Q N 0.296 120.233 119.800 0.229 0.000 2.061 219 Q HA -0.312 4.027 4.340 -0.001 0.000 0.204 219 Q C 2.330 178.330 176.000 0.001 0.000 0.984 219 Q CA 2.144 58.009 55.803 0.104 0.000 0.846 219 Q CB -0.508 28.286 28.738 0.093 0.000 0.902 219 Q HN 0.663 nan 8.270 nan 0.000 0.421 220 E N -0.202 120.008 120.200 0.016 0.000 2.085 220 E HA -0.233 4.117 4.350 -0.001 0.000 0.194 220 E C 2.070 178.705 176.600 0.060 0.000 0.994 220 E CA 1.178 57.610 56.400 0.053 0.000 0.801 220 E CB -0.121 29.588 29.700 0.015 0.000 0.743 220 E HN 0.356 nan 8.360 nan 0.000 0.453 221 L N 1.014 122.195 121.223 -0.070 0.000 1.976 221 L HA -0.198 4.141 4.340 -0.001 0.000 0.209 221 L C 2.423 179.207 176.870 -0.144 0.000 1.071 221 L CA 2.626 57.403 54.840 -0.106 0.000 0.746 221 L CB -1.028 40.913 42.059 -0.197 0.000 0.890 221 L HN 0.197 nan 8.230 nan 0.000 0.432 222 S N -1.426 114.103 115.700 -0.284 0.000 2.462 222 S HA -0.285 4.184 4.470 -0.001 0.000 0.243 222 S C 1.814 176.318 174.600 -0.161 0.000 1.003 222 S CA 1.488 59.548 58.200 -0.235 0.000 0.970 222 S CB -0.761 62.306 63.200 -0.223 0.000 0.762 222 S HN 0.725 nan 8.310 nan 0.000 0.510 223 Q N -0.602 119.109 119.800 -0.148 0.000 2.245 223 Q HA 0.088 4.427 4.340 -0.001 0.000 0.201 223 Q C 0.395 176.084 176.000 -0.519 0.000 0.955 223 Q CA 0.912 56.524 55.803 -0.318 0.000 0.870 223 Q CB -0.017 28.497 28.738 -0.374 0.000 0.945 223 Q HN 0.831 nan 8.270 nan 0.000 0.461 224 Y N -0.929 119.307 120.300 -0.106 0.000 2.696 224 Y HA 0.282 4.831 4.550 -0.001 0.000 0.260 224 Y C -0.045 175.781 175.900 -0.124 0.000 1.165 224 Y CA -0.218 57.822 58.100 -0.100 0.000 1.189 224 Y CB 1.421 39.829 38.460 -0.087 0.000 1.180 224 Y HN -0.228 nan 8.280 nan 0.000 0.538 225 T N -0.049 114.471 114.554 -0.057 0.000 3.105 225 T HA 0.177 4.526 4.350 -0.001 0.000 0.321 225 T C -0.375 174.255 174.700 -0.117 0.000 1.135 225 T CA -0.688 61.356 62.100 -0.093 0.000 1.053 225 T CB 0.869 69.661 68.868 -0.127 0.000 1.133 225 T HN 0.282 nan 8.240 nan 0.000 0.463 226 D N 2.630 122.957 120.400 -0.122 0.000 2.349 226 D HA 0.170 4.809 4.640 -0.001 0.000 0.214 226 D C 0.811 176.995 176.300 -0.193 0.000 1.063 226 D CA -0.104 53.812 54.000 -0.141 0.000 0.847 226 D CB 0.268 40.991 40.800 -0.129 0.000 0.933 226 D HN 0.232 nan 8.370 nan 0.000 0.513 227 K N 0.085 120.379 120.400 -0.177 0.000 2.244 227 K HA 0.136 4.455 4.320 -0.001 0.000 0.242 227 K C 0.162 176.642 176.600 -0.200 0.000 1.082 227 K CA -0.123 56.038 56.287 -0.210 0.000 0.841 227 K CB -0.136 32.299 32.500 -0.109 0.000 1.129 227 K HN 0.032 nan 8.250 nan 0.000 0.516 228 F N 0.428 120.404 119.950 0.043 0.000 2.375 228 F HA 0.277 4.803 4.527 -0.001 0.000 0.333 228 F C 0.607 176.477 175.800 0.117 0.000 1.104 228 F CA -0.395 57.675 58.000 0.115 0.000 1.149 228 F CB 0.444 39.571 39.000 0.213 0.000 1.190 228 F HN 0.052 nan 8.300 nan 0.000 0.533 229 L N 3.360 124.812 121.223 0.382 0.000 2.346 229 L HA 0.706 5.045 4.340 -0.001 0.000 0.276 229 L C -0.897 176.227 176.870 0.423 0.000 1.006 229 L CA -0.909 54.127 54.840 0.327 0.000 0.817 229 L CB 1.816 44.033 42.059 0.264 0.000 1.272 229 L HN 0.245 nan 8.230 nan 0.000 0.421 230 V N 3.226 123.386 119.914 0.410 0.000 2.823 230 V HA 0.639 4.758 4.120 -0.001 0.000 0.312 230 V C -0.684 175.545 176.094 0.225 0.000 1.072 230 V CA -0.713 61.796 62.300 0.348 0.000 0.937 230 V CB 2.963 35.064 31.823 0.464 0.000 1.013 230 V HN 0.471 nan 8.190 nan 0.000 0.430 231 V N 3.187 123.079 119.914 -0.037 0.000 2.851 231 V HA 0.606 4.726 4.120 -0.001 0.000 0.307 231 V C -1.261 174.518 176.094 -0.525 0.000 1.129 231 V CA -0.174 61.929 62.300 -0.329 0.000 0.932 231 V CB 2.352 33.711 31.823 -0.773 0.000 1.024 231 V HN 1.036 nan 8.190 nan 0.000 0.426 232 E N 6.918 126.886 120.200 -0.387 0.000 2.923 232 E HA 0.354 4.703 4.350 -0.001 0.000 0.266 232 E C -2.808 173.666 176.600 -0.210 0.000 1.157 232 E CA -1.511 54.690 56.400 -0.331 0.000 0.795 232 E CB 1.987 31.607 29.700 -0.134 0.000 1.454 232 E HN 0.485 nan 8.360 nan 0.000 0.386 233 P HA 0.077 nan 4.420 nan 0.000 0.275 233 P C -0.438 176.856 177.300 -0.010 0.000 1.266 233 P CA -0.573 62.462 63.100 -0.108 0.000 0.793 233 P CB 0.752 32.345 31.700 -0.177 0.000 1.074 234 N N -0.420 118.220 118.700 -0.099 0.000 2.476 234 N HA 0.310 5.049 4.740 -0.001 0.000 0.275 234 N C -0.075 175.341 175.510 -0.158 0.000 1.190 234 N CA -0.461 52.502 53.050 -0.146 0.000 0.977 234 N CB 0.323 38.730 38.487 -0.133 0.000 1.200 234 N HN 0.290 nan 8.380 nan 0.000 0.515 235 A N 0.730 123.479 122.820 -0.117 0.000 3.029 235 A HA 0.481 4.801 4.320 -0.001 0.000 0.251 235 A C 1.112 178.770 177.584 0.124 0.000 1.749 235 A CA 0.484 52.556 52.037 0.058 0.000 1.386 235 A CB -1.575 17.516 19.000 0.151 0.000 1.043 235 A HN 0.884 nan 8.150 nan 0.000 0.638 236 G N 0.535 109.320 108.800 -0.025 0.000 2.681 236 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.220 236 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.220 236 G C -0.412 174.584 174.900 0.161 0.000 1.353 236 G CA -0.585 44.542 45.100 0.044 0.000 0.872 236 G HN 0.556 nan 8.290 nan 0.000 0.557 237 K N 1.353 121.804 120.400 0.084 0.000 2.298 237 K HA 0.308 4.628 4.320 -0.001 0.000 0.280 237 K C -1.349 175.217 176.600 -0.056 0.000 1.032 237 K CA -1.082 55.230 56.287 0.041 0.000 0.958 237 K CB 1.131 33.638 32.500 0.012 0.000 0.978 237 K HN 0.159 nan 8.250 nan 0.000 0.472 238 P HA -0.225 nan 4.420 nan 0.000 0.217 238 P C -0.274 176.843 177.300 -0.305 0.000 0.848 238 P CA 0.931 63.742 63.100 -0.483 0.000 1.049 238 P CB 0.097 31.611 31.700 -0.309 0.000 0.690 239 I N -5.369 115.097 120.570 -0.174 0.000 8.252 239 I HA -0.139 4.030 4.170 -0.001 0.000 0.147 239 I C -0.622 175.435 176.117 -0.100 0.000 1.853 239 I CA -0.131 61.107 61.300 -0.103 0.000 2.037 239 I CB -1.819 36.138 38.000 -0.071 0.000 3.797 239 I HN -0.196 nan 8.210 nan 0.000 0.169 240 V N 6.356 126.234 119.914 -0.059 0.000 2.483 240 V HA 0.549 4.668 4.120 -0.001 0.000 0.295 240 V C 0.323 176.401 176.094 -0.026 0.000 1.035 240 V CA -0.372 61.901 62.300 -0.044 0.000 0.896 240 V CB 1.995 33.799 31.823 -0.032 0.000 0.986 240 V HN 0.701 nan 8.190 nan 0.000 0.447 241 E N 3.804 123.993 120.200 -0.019 0.000 2.768 241 E HA 0.268 4.618 4.350 -0.001 0.000 0.290 241 E C -0.687 175.913 176.600 -0.001 0.000 1.100 241 E CA -0.494 55.902 56.400 -0.007 0.000 0.768 241 E CB 0.668 30.367 29.700 -0.001 0.000 1.501 241 E HN 0.713 nan 8.360 nan 0.000 0.384 242 N N 2.214 120.914 118.700 -0.001 0.000 2.669 242 N HA -0.215 4.525 4.740 -0.001 0.000 0.266 242 N C -0.077 175.435 175.510 0.004 0.000 1.024 242 N CA 1.719 54.770 53.050 0.002 0.000 0.766 242 N CB -0.608 37.882 38.487 0.004 0.000 0.898 242 N HN 0.952 nan 8.380 nan 0.000 0.548 243 G N -0.062 108.739 108.800 0.001 0.000 2.629 243 G HA2 -0.119 3.840 3.960 -0.001 0.000 0.686 243 G HA3 -0.119 3.840 3.960 -0.001 0.000 0.686 243 G C -0.662 174.240 174.900 0.003 0.000 1.232 243 G CA -0.318 44.785 45.100 0.004 0.000 0.803 243 G HN 0.351 nan 8.290 nan 0.000 0.638 244 K N 0.053 120.457 120.400 0.007 0.000 4.532 244 K HA -0.131 4.189 4.320 -0.001 0.000 0.567 244 K C 1.409 178.001 176.600 -0.013 0.000 1.961 244 K CA 1.645 57.937 56.287 0.008 0.000 1.415 244 K CB -0.752 31.764 32.500 0.027 0.000 1.738 244 K HN 1.980 nan 8.250 nan 0.000 0.295 245 T N -0.042 114.490 114.554 -0.038 0.000 2.905 245 T HA 0.252 4.602 4.350 -0.001 0.000 0.299 245 T C 1.034 175.653 174.700 -0.135 0.000 1.024 245 T CA -0.279 61.757 62.100 -0.108 0.000 1.151 245 T CB 0.405 69.178 68.868 -0.157 0.000 0.987 245 T HN 0.369 nan 8.240 nan 0.000 0.535 246 V N 1.159 120.978 119.914 -0.157 0.000 3.336 246 V HA 0.657 4.776 4.120 -0.001 0.000 0.314 246 V C -0.851 175.078 176.094 -0.274 0.000 1.088 246 V CA -1.439 60.803 62.300 -0.095 0.000 1.033 246 V CB 0.639 32.452 31.823 -0.016 0.000 1.181 246 V HN 0.864 nan 8.190 nan 0.000 0.449 247 Y N 1.508 121.837 120.300 0.048 0.000 2.475 247 Y HA 0.443 4.992 4.550 -0.001 0.000 0.343 247 Y C -1.805 174.147 175.900 0.086 0.000 1.068 247 Y CA -1.416 56.717 58.100 0.056 0.000 1.307 247 Y CB 1.419 39.911 38.460 0.054 0.000 1.097 247 Y HN 0.621 nan 8.280 nan 0.000 0.530 248 P HA -0.200 nan 4.420 nan 0.000 0.211 248 P C 0.063 177.488 177.300 0.209 0.000 1.119 248 P CA 0.272 63.463 63.100 0.151 0.000 0.815 248 P CB 0.569 32.326 31.700 0.094 0.000 0.550 249 L N -0.928 120.401 121.223 0.177 0.000 3.419 249 L HA -0.169 4.170 4.340 -0.001 0.000 0.579 249 L C 0.117 177.165 176.870 0.298 0.000 1.012 249 L CA 1.118 56.085 54.840 0.211 0.000 1.160 249 L CB -0.833 41.331 42.059 0.174 0.000 1.111 249 L HN 0.424 nan 8.230 nan 0.000 0.659 250 K N 5.806 126.337 120.400 0.219 0.000 2.258 250 K HA 0.192 4.511 4.320 -0.001 0.000 0.264 250 K C -1.230 175.469 176.600 0.165 0.000 1.007 250 K CA -1.660 54.720 56.287 0.155 0.000 0.941 250 K CB -0.019 32.555 32.500 0.123 0.000 0.966 250 K HN 0.240 nan 8.250 nan 0.000 0.480 251 P HA -0.252 nan 4.420 nan 0.000 0.217 251 P C 1.352 178.758 177.300 0.177 0.000 1.158 251 P CA 1.508 64.530 63.100 -0.129 0.000 0.887 251 P CB -0.084 31.409 31.700 -0.344 0.000 0.792 252 H N -0.162 118.958 119.070 0.083 0.000 2.319 252 H HA -0.154 4.401 4.556 -0.001 0.000 0.299 252 H C 1.282 176.731 175.328 0.201 0.000 1.092 252 H CA 1.892 58.012 56.048 0.120 0.000 1.302 252 H CB -0.384 29.418 29.762 0.065 0.000 1.373 252 H HN 0.049 nan 8.280 nan 0.000 0.497 253 D N -0.129 120.328 120.400 0.096 0.000 2.218 253 D HA -0.124 4.516 4.640 -0.001 0.000 0.204 253 D C 1.973 178.451 176.300 0.295 0.000 0.976 253 D CA 0.467 54.520 54.000 0.088 0.000 0.853 253 D CB -0.423 40.482 40.800 0.175 0.000 0.939 253 D HN 0.310 nan 8.370 nan 0.000 0.481 254 F N 1.761 121.879 119.950 0.280 0.000 2.118 254 F HA 0.072 4.598 4.527 -0.001 0.000 0.293 254 F C 2.323 178.384 175.800 0.434 0.000 1.102 254 F CA 0.813 59.077 58.000 0.440 0.000 1.247 254 F CB -0.709 38.673 39.000 0.637 0.000 1.017 254 F HN -0.088 nan 8.300 nan 0.000 0.475 255 A N 0.492 123.711 122.820 0.665 0.000 1.903 255 A HA -0.261 4.058 4.320 -0.001 0.000 0.219 255 A C 2.358 180.008 177.584 0.110 0.000 1.191 255 A CA 2.875 55.114 52.037 0.337 0.000 0.638 255 A CB -1.854 17.313 19.000 0.278 0.000 0.823 255 A HN 0.578 nan 8.150 nan 0.000 0.451 256 V N -1.875 118.037 119.914 -0.004 0.000 2.636 256 V HA -0.350 3.770 4.120 -0.001 0.000 0.258 256 V C 1.960 177.964 176.094 -0.151 0.000 1.092 256 V CA 2.881 65.094 62.300 -0.145 0.000 1.110 256 V CB -1.478 30.172 31.823 -0.289 0.000 0.685 256 V HN 0.708 nan 8.190 nan 0.000 0.481 257 H N -0.682 118.415 119.070 0.045 0.000 2.502 257 H HA 0.199 4.755 4.556 -0.001 0.000 0.283 257 H C 2.009 177.364 175.328 0.045 0.000 1.015 257 H CA 1.290 57.379 56.048 0.069 0.000 1.298 257 H CB -0.210 29.676 29.762 0.206 0.000 1.411 257 H HN 0.445 nan 8.280 nan 0.000 0.556 258 I N 1.028 121.592 120.570 -0.009 0.000 2.113 258 I HA -0.377 3.792 4.170 -0.001 0.000 0.242 258 I C 1.896 177.980 176.117 -0.056 0.000 1.057 258 I CA 1.687 62.819 61.300 -0.280 0.000 1.314 258 I CB -0.291 37.416 38.000 -0.489 0.000 1.022 258 I HN 0.332 nan 8.210 nan 0.000 0.408 259 D N -0.007 120.364 120.400 -0.049 0.000 2.116 259 D HA -0.165 4.474 4.640 -0.001 0.000 0.193 259 D C 2.361 178.720 176.300 0.098 0.000 0.998 259 D CA 1.832 55.846 54.000 0.023 0.000 0.836 259 D CB -0.257 40.531 40.800 -0.020 0.000 0.951 259 D HN 0.320 nan 8.370 nan 0.000 0.449 260 S N 0.030 115.733 115.700 0.004 0.000 2.374 260 S HA -0.192 4.277 4.470 -0.001 0.000 0.227 260 S C 1.949 176.451 174.600 -0.163 0.000 1.037 260 S CA 0.966 59.108 58.200 -0.097 0.000 1.024 260 S CB -0.428 62.655 63.200 -0.196 0.000 0.861 260 S HN 0.342 nan 8.310 nan 0.000 0.456 261 Y N -0.158 120.180 120.300 0.062 0.000 2.286 261 Y HA 0.001 4.550 4.550 -0.001 0.000 0.293 261 Y C 2.211 178.180 175.900 0.115 0.000 1.124 261 Y CA 0.504 58.604 58.100 0.000 0.000 1.178 261 Y CB -0.792 37.625 38.460 -0.071 0.000 1.010 261 Y HN 0.355 nan 8.280 nan 0.000 0.536 262 Y N 1.755 122.132 120.300 0.128 0.000 2.097 262 Y HA -0.297 4.253 4.550 -0.001 0.000 0.282 262 Y C 2.125 178.084 175.900 0.097 0.000 1.152 262 Y CA 2.158 60.317 58.100 0.097 0.000 1.136 262 Y CB -0.259 38.217 38.460 0.027 0.000 0.975 262 Y HN 0.213 nan 8.280 nan 0.000 0.498 263 E N 0.339 120.555 120.200 0.026 0.000 2.204 263 E HA -0.194 4.156 4.350 -0.001 0.000 0.195 263 E C 1.733 178.308 176.600 -0.041 0.000 0.990 263 E CA 1.220 57.575 56.400 -0.075 0.000 0.821 263 E CB -0.435 29.283 29.700 0.030 0.000 0.750 263 E HN 0.549 nan 8.360 nan 0.000 0.477 264 L N 0.551 121.815 121.223 0.068 0.000 2.627 264 L HA 0.164 4.503 4.340 -0.001 0.000 0.232 264 L C 0.967 177.969 176.870 0.219 0.000 1.150 264 L CA 0.219 55.164 54.840 0.176 0.000 0.917 264 L CB -0.132 42.141 42.059 0.357 0.000 1.104 264 L HN 0.263 nan 8.230 nan 0.000 0.445 265 G N 0.498 109.354 108.800 0.093 0.000 2.176 265 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.252 265 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.252 265 G C 0.205 175.252 174.900 0.245 0.000 1.024 265 G CA 0.391 45.545 45.100 0.090 0.000 0.755 265 G HN 0.201 nan 8.290 nan 0.000 0.507 266 V N -0.609 119.520 119.914 0.359 0.000 3.096 266 V HA 0.499 4.618 4.120 -0.001 0.000 0.306 266 V C 1.179 177.476 176.094 0.338 0.000 1.088 266 V CA 1.302 63.877 62.300 0.458 0.000 1.129 266 V CB 1.082 33.151 31.823 0.410 0.000 1.014 266 V HN 0.453 nan 8.190 nan 0.000 0.486 267 N N 3.193 122.098 118.700 0.342 0.000 2.474 267 N HA 0.417 5.157 4.740 -0.001 0.000 0.224 267 N C -0.586 175.049 175.510 0.210 0.000 1.092 267 N CA -0.106 53.108 53.050 0.274 0.000 0.844 267 N CB 0.586 39.264 38.487 0.318 0.000 1.381 267 N HN 0.538 nan 8.380 nan 0.000 0.458 268 I N 0.676 121.387 120.570 0.235 0.000 2.498 268 I HA 0.345 4.515 4.170 -0.001 0.000 0.290 268 I C -1.643 174.592 176.117 0.198 0.000 1.032 268 I CA -0.800 60.615 61.300 0.191 0.000 1.073 268 I CB 2.171 40.287 38.000 0.193 0.000 1.251 268 I HN -0.068 nan 8.210 nan 0.000 0.426 269 F N 4.919 124.864 119.950 -0.008 0.000 2.518 269 F HA 0.819 5.345 4.527 -0.001 0.000 0.323 269 F C 0.018 175.757 175.800 -0.103 0.000 1.129 269 F CA -0.181 57.759 58.000 -0.101 0.000 0.920 269 F CB 1.758 40.662 39.000 -0.160 0.000 1.160 269 F HN 0.458 nan 8.300 nan 0.000 0.440 270 G N 2.126 110.633 108.800 -0.488 0.000 2.911 270 G HA2 0.654 4.614 3.960 -0.001 0.000 0.299 270 G HA3 0.654 4.614 3.960 -0.001 0.000 0.299 270 G C -1.334 173.320 174.900 -0.410 0.000 1.283 270 G CA -0.465 44.495 45.100 -0.233 0.000 0.805 270 G HN 1.005 nan 8.290 nan 0.000 0.548 271 G N -2.150 106.548 108.800 -0.171 0.000 2.672 271 G HA2 0.536 4.495 3.960 -0.001 0.000 0.292 271 G HA3 0.536 4.495 3.960 -0.001 0.000 0.292 271 G C -0.913 173.921 174.900 -0.110 0.000 1.375 271 G CA -0.036 44.997 45.100 -0.111 0.000 0.890 271 G HN 0.823 nan 8.290 nan 0.000 0.476 272 C N -1.132 118.116 119.300 -0.087 0.000 2.920 272 C HA 0.525 4.984 4.460 -0.001 0.000 0.114 272 C C 1.024 175.878 174.990 -0.227 0.000 2.675 272 C CA -0.180 58.754 59.018 -0.140 0.000 1.955 272 C CB 0.643 28.311 27.740 -0.120 0.000 3.024 272 C HN 0.807 nan 8.230 nan 0.000 0.366 273 C N 2.363 121.476 119.300 -0.312 0.000 2.519 273 C HA 0.427 4.886 4.460 -0.001 0.000 0.402 273 C C 1.481 175.959 174.990 -0.853 0.000 1.475 273 C CA 1.679 60.379 59.018 -0.529 0.000 1.504 273 C CB -1.450 25.942 27.740 -0.580 0.000 2.454 273 C HN 1.174 nan 8.230 nan 0.000 0.615 274 G N 3.031 111.511 108.800 -0.534 0.000 2.424 274 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.207 274 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.207 274 G C 0.245 174.969 174.900 -0.292 0.000 1.061 274 G CA 0.104 44.998 45.100 -0.343 0.000 0.657 274 G HN 1.022 nan 8.290 nan 0.000 0.508 275 T N 1.741 116.061 114.554 -0.391 0.000 2.867 275 T HA 0.502 4.851 4.350 -0.001 0.000 0.297 275 T C 0.526 175.083 174.700 -0.238 0.000 0.989 275 T CA 1.066 62.797 62.100 -0.615 0.000 1.159 275 T CB 1.143 69.767 68.868 -0.406 0.000 0.928 275 T HN 1.357 nan 8.240 nan 0.000 0.538 276 T N 0.849 115.368 114.554 -0.057 0.000 2.940 276 T HA 0.525 4.875 4.350 -0.001 0.000 0.288 276 T C -2.148 172.607 174.700 0.091 0.000 1.045 276 T CA -2.272 59.881 62.100 0.088 0.000 1.018 276 T CB 1.422 70.370 68.868 0.132 0.000 1.151 276 T HN 0.161 nan 8.240 nan 0.000 0.529 277 P HA -0.114 nan 4.420 nan 0.000 0.216 277 P C 1.528 178.764 177.300 -0.106 0.000 1.150 277 P CA 0.818 63.768 63.100 -0.251 0.000 0.843 277 P CB 0.111 31.522 31.700 -0.481 0.000 0.787 278 E N -1.065 119.078 120.200 -0.095 0.000 2.160 278 E HA -0.229 4.121 4.350 -0.001 0.000 0.195 278 E C 1.713 178.180 176.600 -0.222 0.000 0.991 278 E CA 1.321 57.640 56.400 -0.134 0.000 0.810 278 E CB -0.271 29.346 29.700 -0.138 0.000 0.742 278 E HN 0.391 nan 8.360 nan 0.000 0.466 279 H N -0.456 118.418 119.070 -0.328 0.000 2.293 279 H HA -0.097 4.459 4.556 -0.001 0.000 0.300 279 H C 2.264 177.022 175.328 -0.950 0.000 1.082 279 H CA 1.702 57.320 56.048 -0.716 0.000 1.308 279 H CB -0.322 28.913 29.762 -0.878 0.000 1.375 279 H HN -0.034 nan 8.280 nan 0.000 0.495 280 V N 1.173 120.845 119.914 -0.404 0.000 2.324 280 V HA -0.321 3.798 4.120 -0.001 0.000 0.250 280 V C 2.098 178.159 176.094 -0.056 0.000 1.060 280 V CA 2.032 64.251 62.300 -0.135 0.000 1.042 280 V CB -0.464 31.437 31.823 0.130 0.000 0.650 280 V HN 0.428 nan 8.190 nan 0.000 0.450 281 K N -0.349 120.003 120.400 -0.081 0.000 2.044 281 K HA -0.211 4.108 4.320 -0.001 0.000 0.210 281 K C 2.180 178.761 176.600 -0.032 0.000 1.049 281 K CA 1.787 58.046 56.287 -0.047 0.000 0.927 281 K CB -0.352 32.108 32.500 -0.067 0.000 0.713 281 K HN 0.380 nan 8.250 nan 0.000 0.443 282 L N 0.097 121.270 121.223 -0.083 0.000 2.072 282 L HA -0.123 4.217 4.340 -0.001 0.000 0.205 282 L C 2.082 179.032 176.870 0.132 0.000 1.079 282 L CA 0.874 55.710 54.840 -0.007 0.000 0.752 282 L CB -0.116 41.919 42.059 -0.041 0.000 0.906 282 L HN 0.067 nan 8.230 nan 0.000 0.436 283 F N 0.564 120.504 119.950 -0.016 0.000 2.095 283 F HA -0.263 4.263 4.527 -0.001 0.000 0.298 283 F C 2.804 178.570 175.800 -0.055 0.000 1.104 283 F CA 1.637 59.607 58.000 -0.050 0.000 1.232 283 F CB -1.208 37.787 39.000 -0.009 0.000 0.987 283 F HN 0.142 nan 8.300 nan 0.000 0.475 284 R N 1.071 121.681 120.500 0.183 0.000 2.094 284 R HA -0.184 4.156 4.340 -0.001 0.000 0.239 284 R C 2.251 178.576 176.300 0.042 0.000 1.137 284 R CA 1.743 57.894 56.100 0.085 0.000 0.943 284 R CB -0.613 29.722 30.300 0.059 0.000 0.850 284 R HN -0.007 nan 8.270 nan 0.000 0.433 285 K N 0.126 120.551 120.400 0.042 0.000 1.969 285 K HA -0.095 4.225 4.320 -0.001 0.000 0.216 285 K C 1.967 178.572 176.600 0.008 0.000 1.048 285 K CA 2.058 58.357 56.287 0.020 0.000 0.948 285 K CB -0.700 31.814 32.500 0.024 0.000 0.726 285 K HN 0.176 nan 8.250 nan 0.000 0.442 286 V N 1.903 121.830 119.914 0.022 0.000 2.546 286 V HA -0.253 3.866 4.120 -0.001 0.000 0.254 286 V C 2.438 178.485 176.094 -0.077 0.000 1.076 286 V CA 1.498 63.789 62.300 -0.014 0.000 1.087 286 V CB -0.421 31.407 31.823 0.008 0.000 0.674 286 V HN 0.275 nan 8.190 nan 0.000 0.470 287 L N -0.061 121.114 121.223 -0.080 0.000 2.062 287 L HA 0.398 4.738 4.340 -0.001 0.000 0.202 287 L C 1.496 178.306 176.870 -0.100 0.000 1.079 287 L CA 2.149 56.913 54.840 -0.126 0.000 0.755 287 L CB -1.030 40.961 42.059 -0.113 0.000 0.913 287 L HN 0.449 nan 8.230 nan 0.000 0.445 288 G N -0.470 108.297 108.800 -0.055 0.000 2.601 288 G HA2 -0.357 3.602 3.960 -0.001 0.000 0.261 288 G HA3 -0.357 3.602 3.960 -0.001 0.000 0.261 288 G C -0.277 174.599 174.900 -0.040 0.000 1.289 288 G CA 0.199 45.273 45.100 -0.043 0.000 0.920 288 G HN 0.588 nan 8.290 nan 0.000 0.571 289 N N 1.426 120.106 118.700 -0.034 0.000 2.414 289 N HA 0.600 5.339 4.740 -0.001 0.000 0.256 289 N C 0.228 175.726 175.510 -0.020 0.000 1.029 289 N CA 0.017 53.057 53.050 -0.017 0.000 0.948 289 N CB 0.832 39.314 38.487 -0.008 0.000 1.102 289 N HN 0.628 nan 8.380 nan 0.000 0.496 290 R N 1.461 121.965 120.500 0.007 0.000 2.673 290 R HA 0.416 4.755 4.340 -0.001 0.000 0.281 290 R C -0.665 175.718 176.300 0.137 0.000 0.991 290 R CA -0.915 55.213 56.100 0.047 0.000 0.896 290 R CB 2.255 32.544 30.300 -0.020 0.000 1.201 290 R HN 0.292 nan 8.270 nan 0.000 0.457 291 K N 2.125 122.629 120.400 0.175 0.000 2.118 291 K HA 0.341 4.660 4.320 -0.001 0.000 0.267 291 K C -2.357 174.378 176.600 0.225 0.000 0.991 291 K CA -1.819 54.565 56.287 0.162 0.000 0.916 291 K CB 0.935 33.506 32.500 0.118 0.000 1.041 291 K HN 0.217 nan 8.250 nan 0.000 0.455 292 P HA 0.031 nan 4.420 nan 0.000 0.269 292 P C -0.980 176.326 177.300 0.010 0.000 1.209 292 P CA -0.381 62.790 63.100 0.119 0.000 0.776 292 P CB 0.444 32.244 31.700 0.167 0.000 0.876 293 L N 2.658 123.795 121.223 -0.143 0.000 2.312 293 L HA 0.289 4.628 4.340 -0.001 0.000 0.281 293 L C 0.795 177.625 176.870 -0.067 0.000 1.070 293 L CA 0.137 54.882 54.840 -0.158 0.000 0.805 293 L CB 0.354 42.213 42.059 -0.332 0.000 1.174 293 L HN 0.384 nan 8.230 nan 0.000 0.434 294 Q N 3.213 122.988 119.800 -0.043 0.000 2.249 294 Q HA 0.742 5.082 4.340 -0.001 0.000 0.226 294 Q C -0.535 175.438 176.000 -0.045 0.000 0.983 294 Q CA -0.646 55.138 55.803 -0.032 0.000 0.930 294 Q CB 1.708 30.432 28.738 -0.022 0.000 1.193 294 Q HN 0.577 nan 8.270 nan 0.000 0.508 295 R N -0.671 119.799 120.500 -0.050 0.000 2.690 295 R HA 0.557 4.897 4.340 -0.001 0.000 0.269 295 R C -1.693 174.563 176.300 -0.073 0.000 1.037 295 R CA -1.088 54.976 56.100 -0.060 0.000 0.877 295 R CB 0.918 31.182 30.300 -0.060 0.000 1.255 295 R HN 0.281 nan 8.270 nan 0.000 0.467 296 K N 1.414 121.765 120.400 -0.082 0.000 2.123 296 K HA 0.366 4.685 4.320 -0.001 0.000 0.248 296 K C -1.203 175.318 176.600 -0.132 0.000 0.969 296 K CA -0.752 55.479 56.287 -0.094 0.000 0.882 296 K CB 1.250 33.702 32.500 -0.081 0.000 1.080 296 K HN 0.661 nan 8.250 nan 0.000 0.441 297 K N 1.651 121.964 120.400 -0.145 0.000 2.292 297 K HA 0.364 4.683 4.320 -0.001 0.000 0.257 297 K C -0.914 175.549 176.600 -0.228 0.000 0.940 297 K CA -0.774 55.386 56.287 -0.211 0.000 0.811 297 K CB 1.414 33.812 32.500 -0.170 0.000 1.120 297 K HN 0.306 nan 8.250 nan 0.000 0.428 298 K N 3.549 123.722 120.400 -0.379 0.000 2.319 298 K HA 0.001 4.320 4.320 -0.001 0.000 0.277 298 K C -0.289 176.227 176.600 -0.140 0.000 1.111 298 K CA 0.279 56.390 56.287 -0.294 0.000 1.093 298 K CB 0.191 32.418 32.500 -0.456 0.000 0.910 298 K HN 0.393 nan 8.250 nan 0.000 0.452 299 R N 3.813 124.279 120.500 -0.058 0.000 2.316 299 R HA 0.245 4.584 4.340 -0.001 0.000 0.314 299 R C 0.382 176.717 176.300 0.059 0.000 1.069 299 R CA -0.026 56.074 56.100 -0.000 0.000 0.959 299 R CB 0.125 30.415 30.300 -0.018 0.000 0.987 299 R HN 0.621 nan 8.270 nan 0.000 0.446 300 I N -1.006 119.628 120.570 0.105 0.000 3.174 300 I HA 0.537 4.706 4.170 -0.001 0.000 0.313 300 I C -1.328 174.872 176.117 0.139 0.000 1.155 300 I CA -1.199 60.188 61.300 0.144 0.000 0.977 300 I CB 2.086 40.198 38.000 0.187 0.000 1.248 300 I HN 0.314 nan 8.210 nan 0.000 0.453 301 F N 3.218 123.201 119.950 0.055 0.000 2.375 301 F HA 0.867 5.393 4.527 -0.001 0.000 0.361 301 F C -0.257 175.631 175.800 0.147 0.000 1.117 301 F CA -0.193 57.834 58.000 0.045 0.000 1.037 301 F CB 1.024 40.026 39.000 0.003 0.000 1.192 301 F HN 0.866 nan 8.300 nan 0.000 0.452 302 A N 4.514 127.241 122.820 -0.155 0.000 2.610 302 A HA 0.791 5.111 4.320 -0.001 0.000 0.291 302 A C -1.626 175.909 177.584 -0.083 0.000 1.086 302 A CA -0.353 51.719 52.037 0.058 0.000 0.677 302 A CB 1.333 20.364 19.000 0.052 0.000 1.278 302 A HN 1.136 nan 8.150 nan 0.000 0.414 303 V N -1.101 118.854 119.914 0.068 0.000 3.074 303 V HA 1.014 5.133 4.120 -0.001 0.000 0.314 303 V C -0.154 175.976 176.094 0.060 0.000 1.117 303 V CA 0.002 62.330 62.300 0.047 0.000 1.014 303 V CB 1.387 33.290 31.823 0.133 0.000 1.057 303 V HN 2.055 nan 8.190 nan 0.000 0.438 304 S N 0.950 116.702 115.700 0.088 0.000 2.638 304 S HA 0.929 5.399 4.470 -0.001 0.000 0.274 304 S C -0.538 174.106 174.600 0.073 0.000 1.157 304 S CA -0.060 58.177 58.200 0.062 0.000 0.826 304 S CB 1.615 64.823 63.200 0.013 0.000 1.139 304 S HN 2.311 nan 8.310 nan 0.000 0.474 305 S N -0.789 114.894 115.700 -0.028 0.000 2.627 305 S HA 0.704 5.174 4.470 -0.001 0.000 0.283 305 S C -2.667 171.820 174.600 -0.187 0.000 1.127 305 S CA -1.554 56.550 58.200 -0.160 0.000 0.863 305 S CB 1.004 64.133 63.200 -0.118 0.000 1.121 305 S HN 0.392 nan 8.310 nan 0.000 0.479 306 P HA -0.206 nan 4.420 nan 0.000 0.219 306 P C 1.264 178.502 177.300 -0.103 0.000 1.151 306 P CA 2.302 65.258 63.100 -0.240 0.000 0.850 306 P CB 0.033 31.442 31.700 -0.484 0.000 0.784 307 S N -4.816 110.822 115.700 -0.103 0.000 2.554 307 S HA 0.176 4.646 4.470 -0.001 0.000 0.227 307 S C 0.766 175.352 174.600 -0.023 0.000 1.050 307 S CA -0.177 58.001 58.200 -0.038 0.000 0.927 307 S CB 0.118 63.300 63.200 -0.031 0.000 0.859 307 S HN -0.122 nan 8.310 nan 0.000 0.494 308 K N 1.001 121.381 120.400 -0.033 0.000 2.203 308 K HA 0.536 4.856 4.320 -0.001 0.000 0.251 308 K C -1.797 174.796 176.600 -0.012 0.000 0.944 308 K CA -0.641 55.635 56.287 -0.018 0.000 0.829 308 K CB 2.086 34.578 32.500 -0.013 0.000 1.125 308 K HN 0.248 nan 8.250 nan 0.000 0.430 309 L N 3.299 124.514 121.223 -0.013 0.000 2.433 309 L HA 0.233 4.572 4.340 -0.001 0.000 0.256 309 L C -1.217 175.652 176.870 -0.001 0.000 1.063 309 L CA -0.597 54.235 54.840 -0.013 0.000 0.922 309 L CB 1.272 43.305 42.059 -0.042 0.000 1.238 309 L HN 0.235 nan 8.230 nan 0.000 0.466 310 V N 3.349 123.270 119.914 0.013 0.000 2.439 310 V HA 0.266 4.385 4.120 -0.001 0.000 0.271 310 V C 0.564 176.674 176.094 0.027 0.000 1.040 310 V CA 0.141 62.445 62.300 0.006 0.000 1.002 310 V CB 0.794 32.584 31.823 -0.054 0.000 1.000 310 V HN 0.747 nan 8.190 nan 0.000 0.477 311 T N 6.340 120.940 114.554 0.076 0.000 2.767 311 T HA 0.420 4.769 4.350 -0.001 0.000 0.284 311 T C 0.097 174.849 174.700 0.088 0.000 0.973 311 T CA -0.148 62.040 62.100 0.147 0.000 0.996 311 T CB 0.513 69.470 68.868 0.148 0.000 0.927 311 T HN 0.361 nan 8.240 nan 0.000 0.456 312 F N 3.583 123.617 119.950 0.141 0.000 2.626 312 F HA 0.126 4.653 4.527 -0.001 0.000 0.374 312 F C 1.206 177.006 175.800 0.000 0.000 1.184 312 F CA -0.469 57.533 58.000 0.003 0.000 1.339 312 F CB -0.211 38.812 39.000 0.038 0.000 1.730 312 F HN 0.563 nan 8.300 nan 0.000 0.650 313 D N -1.342 119.137 120.400 0.131 0.000 2.535 313 D HA 0.038 4.677 4.640 -0.001 0.000 0.229 313 D C 0.180 176.594 176.300 0.191 0.000 1.238 313 D CA -0.007 54.087 54.000 0.156 0.000 0.824 313 D CB -0.252 40.649 40.800 0.169 0.000 1.045 313 D HN 0.410 nan 8.370 nan 0.000 0.500 314 H N -2.603 116.479 119.070 0.019 0.000 2.981 314 H HA 0.320 4.876 4.556 -0.001 0.000 0.327 314 H C -1.651 173.705 175.328 0.046 0.000 1.342 314 H CA -1.161 54.911 56.048 0.040 0.000 1.123 314 H CB 0.057 29.830 29.762 0.019 0.000 1.851 314 H HN -0.122 nan 8.280 nan 0.000 0.531 315 F N 2.257 122.140 119.950 -0.112 0.000 2.502 315 F HA 0.317 4.843 4.527 -0.001 0.000 0.371 315 F C -0.410 175.217 175.800 -0.289 0.000 1.083 315 F CA -0.211 57.689 58.000 -0.167 0.000 1.174 315 F CB 0.330 39.304 39.000 -0.043 0.000 1.096 315 F HN 0.303 nan 8.300 nan 0.000 0.545 316 V N 7.725 127.188 119.914 -0.752 0.000 2.385 316 V HA 0.147 4.266 4.120 -0.001 0.000 0.269 316 V C -0.134 175.743 176.094 -0.362 0.000 1.043 316 V CA -0.781 61.165 62.300 -0.590 0.000 0.906 316 V CB 1.037 32.322 31.823 -0.896 0.000 0.995 316 V HN 0.481 nan 8.190 nan 0.000 0.467 317 V N 7.360 127.245 119.914 -0.049 0.000 2.372 317 V HA 0.267 4.386 4.120 -0.001 0.000 0.261 317 V C 0.321 176.418 176.094 0.005 0.000 1.055 317 V CA -0.012 62.330 62.300 0.069 0.000 0.930 317 V CB 0.685 32.592 31.823 0.140 0.000 1.031 317 V HN 0.635 nan 8.190 nan 0.000 0.479 318 I N 5.277 125.847 120.570 0.000 0.000 2.291 318 I HA 0.289 4.458 4.170 -0.001 0.000 0.292 318 I C 1.308 177.440 176.117 0.025 0.000 1.064 318 I CA 0.006 61.313 61.300 0.012 0.000 1.269 318 I CB 0.817 38.831 38.000 0.023 0.000 1.418 318 I HN 0.665 nan 8.210 nan 0.000 0.485 319 G N 4.685 113.498 108.800 0.022 0.000 2.432 319 G HA2 0.136 4.095 3.960 -0.001 0.000 0.239 319 G HA3 0.136 4.095 3.960 -0.001 0.000 0.239 319 G C 0.484 175.390 174.900 0.010 0.000 1.291 319 G CA -0.184 44.929 45.100 0.021 0.000 0.863 319 G HN 0.891 nan 8.290 nan 0.000 0.560 320 E N 0.794 121.001 120.200 0.011 0.000 2.676 320 E HA 0.142 4.492 4.350 -0.001 0.000 0.222 320 E C 1.818 178.417 176.600 -0.003 0.000 0.968 320 E CA -0.542 55.857 56.400 -0.001 0.000 1.090 320 E CB 0.393 30.095 29.700 0.003 0.000 1.066 320 E HN 0.344 nan 8.360 nan 0.000 0.496 321 R N 0.927 121.430 120.500 0.006 0.000 2.120 321 R HA 0.064 4.404 4.340 -0.001 0.000 0.234 321 R C 0.540 176.844 176.300 0.007 0.000 1.123 321 R CA 0.762 56.868 56.100 0.010 0.000 0.975 321 R CB -0.365 29.945 30.300 0.017 0.000 0.866 321 R HN 0.315 nan 8.270 nan 0.000 0.446 322 I N 2.798 123.366 120.570 -0.004 0.000 2.501 322 I HA -0.057 4.113 4.170 -0.001 0.000 0.305 322 I C -0.158 175.935 176.117 -0.040 0.000 1.197 322 I CA 0.093 61.385 61.300 -0.013 0.000 1.793 322 I CB -0.670 37.311 38.000 -0.032 0.000 1.521 322 I HN 0.006 nan 8.210 nan 0.000 0.843 323 N N 5.752 124.448 118.700 -0.006 0.000 2.500 323 N HA 0.333 5.072 4.740 -0.001 0.000 0.291 323 N C -2.251 173.284 175.510 0.042 0.000 1.092 323 N CA -1.597 51.446 53.050 -0.011 0.000 0.890 323 N CB 2.349 40.821 38.487 -0.026 0.000 1.466 323 N HN -0.153 nan 8.380 nan 0.000 0.507 324 P HA -0.080 nan 4.420 nan 0.000 0.205 324 P C -0.436 176.891 177.300 0.044 0.000 1.181 324 P CA 1.285 64.506 63.100 0.201 0.000 0.933 324 P CB -0.168 31.741 31.700 0.347 0.000 0.775 325 A N -0.928 121.828 122.820 -0.106 0.000 2.616 325 A HA 0.268 4.587 4.320 -0.001 0.000 0.234 325 A C 1.664 179.207 177.584 -0.068 0.000 1.024 325 A CA 1.143 53.086 52.037 -0.155 0.000 0.758 325 A CB -1.430 17.473 19.000 -0.161 0.000 0.939 325 A HN 0.616 nan 8.150 nan 0.000 0.510 326 G N 1.991 110.753 108.800 -0.064 0.000 2.420 326 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.221 326 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.221 326 G C 0.437 175.339 174.900 0.004 0.000 1.117 326 G CA 0.418 45.502 45.100 -0.028 0.000 0.657 326 G HN 1.724 nan 8.290 nan 0.000 0.512 327 R N 0.554 121.072 120.500 0.030 0.000 2.564 327 R HA 0.592 4.931 4.340 -0.001 0.000 0.282 327 R C 0.836 177.202 176.300 0.109 0.000 1.573 327 R CA -0.140 55.995 56.100 0.058 0.000 1.588 327 R CB 1.024 31.357 30.300 0.055 0.000 1.154 327 R HN 0.254 nan 8.270 nan 0.000 0.606 328 K N 1.546 122.017 120.400 0.117 0.000 2.362 328 K HA -0.226 4.094 4.320 -0.001 0.000 0.202 328 K C 1.435 178.133 176.600 0.165 0.000 1.045 328 K CA 1.355 57.763 56.287 0.201 0.000 0.936 328 K CB 0.211 32.811 32.500 0.167 0.000 0.747 328 K HN 0.157 nan 8.250 nan 0.000 0.467 329 K N 0.933 121.397 120.400 0.108 0.000 2.103 329 K HA -0.162 4.157 4.320 -0.001 0.000 0.207 329 K C 1.767 178.418 176.600 0.084 0.000 1.048 329 K CA 1.238 57.572 56.287 0.078 0.000 0.930 329 K CB -0.239 32.297 32.500 0.060 0.000 0.716 329 K HN 0.202 nan 8.250 nan 0.000 0.444 330 L N -0.436 120.856 121.223 0.116 0.000 2.130 330 L HA 0.051 4.391 4.340 -0.001 0.000 0.200 330 L C 1.987 178.953 176.870 0.160 0.000 1.075 330 L CA 1.237 56.152 54.840 0.124 0.000 0.768 330 L CB -0.753 41.385 42.059 0.132 0.000 0.933 330 L HN 0.457 nan 8.230 nan 0.000 0.451 331 W N 0.696 122.015 121.300 0.031 0.000 2.436 331 W HA -0.231 4.429 4.660 -0.001 0.000 0.261 331 W C 1.643 178.170 176.519 0.014 0.000 1.222 331 W CA 1.204 58.569 57.345 0.033 0.000 1.191 331 W CB -0.002 29.475 29.460 0.028 0.000 1.132 331 W HN 0.393 nan 8.180 nan 0.000 0.596 332 A N 0.883 123.686 122.820 -0.028 0.000 1.835 332 A HA -0.177 4.143 4.320 -0.001 0.000 0.213 332 A C 1.900 179.368 177.584 -0.194 0.000 1.210 332 A CA 1.479 53.440 52.037 -0.127 0.000 0.605 332 A CB -0.907 18.084 19.000 -0.015 0.000 0.860 332 A HN 0.193 nan 8.150 nan 0.000 0.447 333 E N -0.162 119.977 120.200 -0.101 0.000 2.077 333 E HA -0.177 4.172 4.350 -0.001 0.000 0.193 333 E C 2.038 178.527 176.600 -0.184 0.000 0.989 333 E CA 1.222 57.560 56.400 -0.103 0.000 0.800 333 E CB -0.480 29.209 29.700 -0.018 0.000 0.746 333 E HN 0.660 nan 8.360 nan 0.000 0.452 334 M N 0.314 119.820 119.600 -0.157 0.000 2.279 334 M HA -0.171 4.308 4.480 -0.001 0.000 0.264 334 M C 2.243 178.214 176.300 -0.549 0.000 1.062 334 M CA 1.188 56.358 55.300 -0.216 0.000 1.099 334 M CB -0.078 32.586 32.600 0.106 0.000 1.394 334 M HN 0.032 nan 8.290 nan 0.000 0.426 335 Q N 0.047 119.475 119.800 -0.619 0.000 2.451 335 Q HA -0.052 4.287 4.340 -0.001 0.000 0.206 335 Q C 1.138 176.856 176.000 -0.470 0.000 0.947 335 Q CA 0.636 56.026 55.803 -0.688 0.000 0.937 335 Q CB 0.401 28.577 28.738 -0.935 0.000 1.025 335 Q HN 0.405 nan 8.270 nan 0.000 0.511 336 K N -1.368 118.788 120.400 -0.407 0.000 2.353 336 K HA 0.143 4.462 4.320 -0.001 0.000 0.195 336 K C 0.577 176.993 176.600 -0.305 0.000 1.031 336 K CA 0.611 56.726 56.287 -0.286 0.000 1.079 336 K CB 1.124 33.508 32.500 -0.194 0.000 0.857 336 K HN 0.263 nan 8.250 nan 0.000 0.535 337 G N 2.689 111.171 108.800 -0.530 0.000 2.132 337 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.228 337 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.228 337 G C -0.328 174.485 174.900 -0.144 0.000 1.000 337 G CA -0.098 44.663 45.100 -0.564 0.000 0.693 337 G HN 0.460 nan 8.290 nan 0.000 0.515 338 N N -0.177 118.468 118.700 -0.090 0.000 2.520 338 N HA 0.350 5.090 4.740 -0.001 0.000 0.273 338 N C 1.077 176.777 175.510 0.317 0.000 1.155 338 N CA 0.281 53.395 53.050 0.108 0.000 0.967 338 N CB 0.558 39.076 38.487 0.051 0.000 1.092 338 N HN 0.466 nan 8.380 nan 0.000 0.457 339 E N 2.059 122.409 120.200 0.250 0.000 2.228 339 E HA -0.053 4.297 4.350 -0.001 0.000 0.197 339 E C 0.930 177.617 176.600 0.145 0.000 0.909 339 E CA 0.215 56.751 56.400 0.226 0.000 0.911 339 E CB 0.138 29.961 29.700 0.206 0.000 0.887 339 E HN 0.602 nan 8.360 nan 0.000 0.481 340 E N 1.129 121.398 120.200 0.115 0.000 2.187 340 E HA -0.221 4.129 4.350 -0.001 0.000 0.199 340 E C 1.772 178.418 176.600 0.077 0.000 1.004 340 E CA 0.795 57.245 56.400 0.082 0.000 0.813 340 E CB -0.098 29.642 29.700 0.067 0.000 0.736 340 E HN 0.164 nan 8.360 nan 0.000 0.468 341 I N -0.553 120.071 120.570 0.090 0.000 2.193 341 I HA -0.188 3.981 4.170 -0.001 0.000 0.240 341 I C 1.899 178.069 176.117 0.087 0.000 1.084 341 I CA 0.935 62.284 61.300 0.082 0.000 1.365 341 I CB -0.209 37.841 38.000 0.084 0.000 1.064 341 I HN -0.057 nan 8.210 nan 0.000 0.410 342 V N 0.994 120.978 119.914 0.116 0.000 2.490 342 V HA -0.255 3.865 4.120 -0.001 0.000 0.250 342 V C 2.404 178.540 176.094 0.070 0.000 1.061 342 V CA 1.964 64.325 62.300 0.101 0.000 1.064 342 V CB -0.633 31.269 31.823 0.131 0.000 0.670 342 V HN 0.395 nan 8.190 nan 0.000 0.461 343 I N -0.633 119.979 120.570 0.070 0.000 2.546 343 I HA -0.110 4.059 4.170 -0.001 0.000 0.255 343 I C 2.557 178.702 176.117 0.045 0.000 1.163 343 I CA 0.948 62.280 61.300 0.053 0.000 1.457 343 I CB -0.340 37.690 38.000 0.049 0.000 1.092 343 I HN 0.194 nan 8.210 nan 0.000 0.434 344 K N 0.924 121.353 120.400 0.049 0.000 2.116 344 K HA -0.108 4.211 4.320 -0.001 0.000 0.203 344 K C 1.889 178.511 176.600 0.038 0.000 1.052 344 K CA 1.194 57.505 56.287 0.041 0.000 0.952 344 K CB 0.067 32.592 32.500 0.042 0.000 0.729 344 K HN 0.154 nan 8.250 nan 0.000 0.446 345 E N 0.455 120.680 120.200 0.042 0.000 2.106 345 E HA -0.093 4.257 4.350 -0.001 0.000 0.192 345 E C 1.816 178.434 176.600 0.031 0.000 0.984 345 E CA 0.979 57.401 56.400 0.037 0.000 0.806 345 E CB -0.034 29.690 29.700 0.041 0.000 0.750 345 E HN 0.303 nan 8.360 nan 0.000 0.458 346 A N 1.372 124.212 122.820 0.033 0.000 1.872 346 A HA -0.152 4.168 4.320 -0.001 0.000 0.214 346 A C 2.118 179.718 177.584 0.028 0.000 1.187 346 A CA 1.311 53.366 52.037 0.029 0.000 0.614 346 A CB -0.281 18.739 19.000 0.034 0.000 0.826 346 A HN 0.073 nan 8.150 nan 0.000 0.442 347 K N -0.794 119.623 120.400 0.029 0.000 2.063 347 K HA -0.125 4.194 4.320 -0.001 0.000 0.208 347 K C 2.194 178.808 176.600 0.023 0.000 1.048 347 K CA 1.836 58.138 56.287 0.025 0.000 0.928 347 K CB -0.459 32.057 32.500 0.025 0.000 0.713 347 K HN 0.507 nan 8.250 nan 0.000 0.442 348 T N 1.666 116.234 114.554 0.024 0.000 2.580 348 T HA -0.213 4.137 4.350 -0.001 0.000 0.265 348 T C 1.875 176.587 174.700 0.021 0.000 1.063 348 T CA 1.573 63.686 62.100 0.022 0.000 1.170 348 T CB -0.320 68.561 68.868 0.023 0.000 0.863 348 T HN 0.340 nan 8.240 nan 0.000 0.418 349 Q N 0.299 120.112 119.800 0.022 0.000 2.133 349 Q HA -0.117 4.223 4.340 -0.001 0.000 0.208 349 Q C 2.517 178.530 176.000 0.022 0.000 0.991 349 Q CA 1.372 57.188 55.803 0.022 0.000 0.867 349 Q CB -0.572 28.179 28.738 0.022 0.000 0.911 349 Q HN 0.366 nan 8.270 nan 0.000 0.417 350 V N 1.297 121.224 119.914 0.021 0.000 2.515 350 V HA -0.221 3.898 4.120 -0.001 0.000 0.250 350 V C 1.776 177.881 176.094 0.018 0.000 1.058 350 V CA 1.852 64.164 62.300 0.020 0.000 1.064 350 V CB -0.478 31.357 31.823 0.019 0.000 0.675 350 V HN 0.361 nan 8.190 nan 0.000 0.461 351 E N -0.178 120.032 120.200 0.017 0.000 2.285 351 E HA -0.088 4.261 4.350 -0.001 0.000 0.194 351 E C 1.330 177.939 176.600 0.015 0.000 0.997 351 E CA 0.386 56.795 56.400 0.015 0.000 0.845 351 E CB 0.018 29.727 29.700 0.014 0.000 0.782 351 E HN 0.386 nan 8.360 nan 0.000 0.491 352 K N -0.118 120.292 120.400 0.017 0.000 2.446 352 K HA 0.141 4.460 4.320 -0.001 0.000 0.203 352 K C 0.728 177.342 176.600 0.022 0.000 1.027 352 K CA 0.366 56.663 56.287 0.017 0.000 1.166 352 K CB 0.864 33.374 32.500 0.016 0.000 0.869 352 K HN 0.243 nan 8.250 nan 0.000 0.504 353 G N 0.673 109.488 108.800 0.024 0.000 2.141 353 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.231 353 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.231 353 G C 0.234 175.159 174.900 0.043 0.000 0.984 353 G CA 0.024 45.144 45.100 0.033 0.000 0.660 353 G HN 0.479 nan 8.290 nan 0.000 0.525 354 A N -0.212 122.629 122.820 0.035 0.000 2.401 354 A HA 0.710 5.030 4.320 -0.001 0.000 0.259 354 A C 0.895 178.495 177.584 0.027 0.000 1.103 354 A CA 1.029 53.086 52.037 0.034 0.000 0.789 354 A CB 0.578 19.595 19.000 0.028 0.000 1.035 354 A HN 0.483 nan 8.150 nan 0.000 0.491 355 E N 1.034 121.245 120.200 0.019 0.000 2.447 355 E HA 0.293 4.642 4.350 -0.001 0.000 0.204 355 E C -0.883 175.715 176.600 -0.003 0.000 0.977 355 E CA 0.325 56.730 56.400 0.009 0.000 0.950 355 E CB 0.615 30.323 29.700 0.013 0.000 0.975 355 E HN 0.445 nan 8.360 nan 0.000 0.496 356 V N 1.998 121.912 119.914 -0.000 0.000 2.610 356 V HA 0.270 4.389 4.120 -0.001 0.000 0.298 356 V C -0.686 175.420 176.094 0.021 0.000 1.067 356 V CA -0.638 61.673 62.300 0.018 0.000 0.894 356 V CB 1.761 33.602 31.823 0.030 0.000 1.015 356 V HN 0.115 nan 8.190 nan 0.000 0.432 357 L N 3.401 124.638 121.223 0.024 0.000 2.326 357 L HA 0.489 4.829 4.340 -0.001 0.000 0.278 357 L C -0.048 176.819 176.870 -0.005 0.000 1.092 357 L CA -0.113 54.735 54.840 0.012 0.000 0.810 357 L CB 1.142 43.212 42.059 0.018 0.000 1.153 357 L HN 0.687 nan 8.230 nan 0.000 0.439 358 D N 2.578 122.966 120.400 -0.021 0.000 2.349 358 D HA 0.420 5.059 4.640 -0.001 0.000 0.232 358 D C -0.741 175.508 176.300 -0.085 0.000 1.071 358 D CA -0.455 53.516 54.000 -0.048 0.000 0.832 358 D CB 1.331 42.106 40.800 -0.042 0.000 1.086 358 D HN 0.222 nan 8.370 nan 0.000 0.504 359 V N 2.036 121.873 119.914 -0.128 0.000 2.581 359 V HA 0.750 4.870 4.120 -0.001 0.000 0.303 359 V C -0.569 175.319 176.094 -0.344 0.000 1.041 359 V CA -0.815 61.332 62.300 -0.255 0.000 0.907 359 V CB 1.590 33.236 31.823 -0.296 0.000 0.994 359 V HN 0.625 nan 8.190 nan 0.000 0.442 360 N N 2.145 120.566 118.700 -0.465 0.000 2.308 360 N HA 0.583 5.322 4.740 -0.001 0.000 0.283 360 N C -1.328 173.923 175.510 -0.432 0.000 1.105 360 N CA -0.720 52.127 53.050 -0.339 0.000 0.840 360 N CB 1.933 40.333 38.487 -0.145 0.000 1.633 360 N HN 0.598 nan 8.380 nan 0.000 0.476 361 F N 2.563 122.603 119.950 0.149 0.000 2.848 361 F HA 0.454 4.980 4.527 -0.001 0.000 0.321 361 F C 1.679 177.684 175.800 0.342 0.000 1.281 361 F CA -0.051 58.107 58.000 0.264 0.000 1.209 361 F CB 0.312 39.467 39.000 0.259 0.000 1.152 361 F HN 0.765 nan 8.300 nan 0.000 0.521 362 G N 1.380 110.340 108.800 0.267 0.000 2.660 362 G HA2 -0.356 3.604 3.960 -0.001 0.000 0.338 362 G HA3 -0.356 3.604 3.960 -0.001 0.000 0.338 362 G C 0.338 175.187 174.900 -0.085 0.000 1.336 362 G CA -0.005 45.034 45.100 -0.102 0.000 0.990 362 G HN 0.358 nan 8.290 nan 0.000 0.537 363 I N 1.974 122.310 120.570 -0.391 0.000 2.483 363 I HA 0.113 4.283 4.170 -0.001 0.000 0.291 363 I C 1.521 177.836 176.117 0.330 0.000 1.112 363 I CA 0.220 61.515 61.300 -0.008 0.000 1.350 363 I CB 0.753 38.762 38.000 0.016 0.000 1.419 363 I HN 0.621 nan 8.210 nan 0.000 0.523 364 E N 2.748 123.077 120.200 0.215 0.000 2.110 364 E HA -0.151 4.198 4.350 -0.001 0.000 0.193 364 E C 1.738 178.438 176.600 0.166 0.000 0.988 364 E CA 1.114 57.639 56.400 0.210 0.000 0.804 364 E CB 0.060 29.846 29.700 0.144 0.000 0.745 364 E HN 0.636 nan 8.360 nan 0.000 0.458 365 S N 0.606 116.390 115.700 0.140 0.000 2.584 365 S HA -0.113 4.357 4.470 -0.001 0.000 0.240 365 S C 1.127 175.797 174.600 0.117 0.000 0.975 365 S CA 0.796 59.058 58.200 0.104 0.000 0.949 365 S CB -0.062 63.187 63.200 0.081 0.000 0.761 365 S HN 0.279 nan 8.310 nan 0.000 0.536 366 Q N -0.326 119.584 119.800 0.183 0.000 2.103 366 Q HA 0.310 4.649 4.340 -0.001 0.000 0.219 366 Q C -0.701 175.310 176.000 0.017 0.000 0.784 366 Q CA -0.074 55.807 55.803 0.130 0.000 1.014 366 Q CB 0.940 29.827 28.738 0.248 0.000 1.183 366 Q HN 0.326 nan 8.270 nan 0.000 0.469 367 I N 1.289 121.894 120.570 0.059 0.000 2.412 367 I HA 0.187 4.357 4.170 -0.001 0.000 0.296 367 I C -0.093 176.006 176.117 -0.030 0.000 0.987 367 I CA -0.717 60.574 61.300 -0.015 0.000 1.180 367 I CB 1.600 39.663 38.000 0.106 0.000 1.340 367 I HN -0.005 nan 8.210 nan 0.000 0.455 368 D N 5.339 125.700 120.400 -0.064 0.000 2.346 368 D HA 0.052 4.691 4.640 -0.001 0.000 0.260 368 D C 1.149 177.441 176.300 -0.015 0.000 1.252 368 D CA -0.043 53.935 54.000 -0.037 0.000 0.895 368 D CB 1.226 41.998 40.800 -0.048 0.000 1.097 368 D HN 0.277 nan 8.370 nan 0.000 0.489 369 V N 4.833 124.725 119.914 -0.037 0.000 2.794 369 V HA -0.222 3.897 4.120 -0.001 0.000 0.260 369 V C 2.359 178.418 176.094 -0.059 0.000 1.103 369 V CA 1.627 63.889 62.300 -0.064 0.000 1.125 369 V CB -0.625 31.168 31.823 -0.051 0.000 0.702 369 V HN 0.537 nan 8.190 nan 0.000 0.494 370 R N -1.819 118.670 120.500 -0.018 0.000 2.297 370 R HA -0.017 4.323 4.340 -0.001 0.000 0.197 370 R C 2.013 178.328 176.300 0.025 0.000 0.943 370 R CA 0.368 56.463 56.100 -0.008 0.000 1.038 370 R CB -0.049 30.247 30.300 -0.006 0.000 0.957 370 R HN 0.637 nan 8.270 nan 0.000 0.484 371 Y N -0.663 119.571 120.300 -0.109 0.000 2.301 371 Y HA -0.014 4.535 4.550 -0.001 0.000 0.295 371 Y C 1.681 177.489 175.900 -0.153 0.000 1.119 371 Y CA 0.921 58.967 58.100 -0.090 0.000 1.162 371 Y CB -0.118 38.288 38.460 -0.090 0.000 1.046 371 Y HN -0.211 nan 8.280 nan 0.000 0.538 372 V N 0.975 120.683 119.914 -0.343 0.000 2.255 372 V HA -0.339 3.780 4.120 -0.001 0.000 0.247 372 V C 2.154 178.061 176.094 -0.312 0.000 1.051 372 V CA 2.495 64.358 62.300 -0.728 0.000 1.018 372 V CB -0.706 30.684 31.823 -0.723 0.000 0.641 372 V HN 0.408 nan 8.190 nan 0.000 0.445 373 E N -0.345 119.748 120.200 -0.178 0.000 2.118 373 E HA -0.280 4.069 4.350 -0.001 0.000 0.195 373 E C 2.291 178.885 176.600 -0.010 0.000 0.992 373 E CA 1.472 57.829 56.400 -0.071 0.000 0.804 373 E CB -0.143 29.530 29.700 -0.043 0.000 0.741 373 E HN 0.519 nan 8.360 nan 0.000 0.458 374 K N 0.377 120.758 120.400 -0.030 0.000 2.062 374 K HA -0.116 4.203 4.320 -0.001 0.000 0.205 374 K C 2.031 178.656 176.600 0.041 0.000 1.051 374 K CA 0.733 57.048 56.287 0.048 0.000 0.941 374 K CB 0.147 32.671 32.500 0.041 0.000 0.719 374 K HN 0.001 nan 8.250 nan 0.000 0.440 375 I N 1.006 121.517 120.570 -0.098 0.000 2.163 375 I HA -0.215 3.954 4.170 -0.001 0.000 0.240 375 I C 2.290 178.467 176.117 0.101 0.000 1.081 375 I CA 1.012 62.289 61.300 -0.037 0.000 1.353 375 I CB -0.948 36.992 38.000 -0.101 0.000 1.054 375 I HN -0.012 nan 8.210 nan 0.000 0.407 376 V N 0.712 120.714 119.914 0.147 0.000 2.453 376 V HA -0.322 3.798 4.120 -0.001 0.000 0.252 376 V C 2.580 178.798 176.094 0.206 0.000 1.068 376 V CA 2.094 64.519 62.300 0.208 0.000 1.070 376 V CB -0.675 31.256 31.823 0.179 0.000 0.664 376 V HN 0.538 nan 8.190 nan 0.000 0.461 377 Q N -0.973 118.922 119.800 0.158 0.000 2.123 377 Q HA -0.137 4.203 4.340 -0.001 0.000 0.196 377 Q C 2.257 178.392 176.000 0.225 0.000 0.958 377 Q CA 1.777 57.692 55.803 0.187 0.000 0.841 377 Q CB 0.006 28.860 28.738 0.193 0.000 0.915 377 Q HN 0.663 nan 8.270 nan 0.000 0.455 378 T N 1.959 116.599 114.554 0.144 0.000 2.701 378 T HA -0.110 4.239 4.350 -0.001 0.000 0.263 378 T C 1.902 176.675 174.700 0.120 0.000 1.040 378 T CA 1.215 63.359 62.100 0.074 0.000 1.147 378 T CB -0.375 68.481 68.868 -0.020 0.000 0.865 378 T HN 0.215 nan 8.240 nan 0.000 0.426 379 L N 0.983 122.269 121.223 0.104 0.000 2.010 379 L HA -0.162 4.178 4.340 -0.001 0.000 0.219 379 L C -0.441 176.478 176.870 0.082 0.000 1.077 379 L CA 1.902 56.796 54.840 0.089 0.000 0.773 379 L CB -1.980 40.135 42.059 0.092 0.000 0.892 379 L HN 0.225 nan 8.230 nan 0.000 0.436 380 P HA -0.205 nan 4.420 nan 0.000 0.217 380 P C 1.086 178.300 177.300 -0.143 0.000 1.148 380 P CA 1.623 64.692 63.100 -0.051 0.000 0.828 380 P CB -0.035 31.551 31.700 -0.190 0.000 0.783 381 Y N -1.091 119.190 120.300 -0.032 0.000 2.269 381 Y HA -0.094 4.455 4.550 -0.001 0.000 0.294 381 Y C 2.330 178.210 175.900 -0.033 0.000 1.120 381 Y CA 0.913 58.990 58.100 -0.038 0.000 1.159 381 Y CB -1.116 37.310 38.460 -0.057 0.000 1.024 381 Y HN -0.191 nan 8.280 nan 0.000 0.532 382 V N -2.558 117.428 119.914 0.120 0.000 2.719 382 V HA -0.084 4.035 4.120 -0.001 0.000 0.252 382 V C 1.765 177.882 176.094 0.038 0.000 1.065 382 V CA 1.747 64.081 62.300 0.056 0.000 1.086 382 V CB -0.726 31.112 31.823 0.025 0.000 0.700 382 V HN 0.394 nan 8.190 nan 0.000 0.467 383 S N -0.370 115.351 115.700 0.035 0.000 2.517 383 S HA 0.116 4.585 4.470 -0.001 0.000 0.214 383 S C 1.041 175.649 174.600 0.014 0.000 0.991 383 S CA 0.559 58.775 58.200 0.026 0.000 0.906 383 S CB -0.441 62.778 63.200 0.031 0.000 0.789 383 S HN 0.634 nan 8.310 nan 0.000 0.513 384 N N -0.093 118.607 118.700 -0.000 0.000 2.955 384 N HA -0.159 4.581 4.740 -0.001 0.000 0.230 384 N C -0.076 175.422 175.510 -0.020 0.000 0.891 384 N CA 1.247 54.284 53.050 -0.022 0.000 1.002 384 N CB -1.932 36.551 38.487 -0.007 0.000 1.063 384 N HN 0.819 nan 8.380 nan 0.000 0.601 385 V N -3.836 116.080 119.914 0.003 0.000 2.769 385 V HA 0.849 4.968 4.120 -0.001 0.000 0.312 385 V C -2.319 173.810 176.094 0.058 0.000 1.058 385 V CA -2.120 60.193 62.300 0.021 0.000 0.952 385 V CB 2.085 33.922 31.823 0.024 0.000 1.019 385 V HN -0.220 nan 8.190 nan 0.000 0.445 386 P HA 0.350 nan 4.420 nan 0.000 0.272 386 P C -0.913 176.470 177.300 0.138 0.000 1.254 386 P CA -0.136 63.070 63.100 0.176 0.000 0.795 386 P CB 0.320 32.102 31.700 0.136 0.000 1.022 387 L N -0.148 121.132 121.223 0.095 0.000 2.401 387 L HA 0.461 4.801 4.340 -0.001 0.000 0.266 387 L C 0.016 176.806 176.870 -0.133 0.000 0.991 387 L CA -0.679 54.145 54.840 -0.026 0.000 0.818 387 L CB 2.187 44.248 42.059 0.003 0.000 1.321 387 L HN 0.244 nan 8.230 nan 0.000 0.413 388 S N 3.278 118.938 115.700 -0.067 0.000 2.438 388 S HA 0.613 5.083 4.470 -0.001 0.000 0.316 388 S C -0.674 173.885 174.600 -0.068 0.000 1.084 388 S CA -0.587 57.577 58.200 -0.060 0.000 1.107 388 S CB 0.226 63.409 63.200 -0.028 0.000 0.981 388 S HN 0.425 nan 8.310 nan 0.000 0.466 389 L N 4.384 125.587 121.223 -0.033 0.000 2.264 389 L HA 0.457 4.796 4.340 -0.001 0.000 0.289 389 L C -0.233 176.637 176.870 -0.000 0.000 1.044 389 L CA -0.694 54.169 54.840 0.040 0.000 0.807 389 L CB 1.029 43.173 42.059 0.142 0.000 1.192 389 L HN 0.557 nan 8.230 nan 0.000 0.425 390 D N 5.336 125.702 120.400 -0.055 0.000 2.473 390 D HA 0.470 5.109 4.640 -0.001 0.000 0.226 390 D C -0.754 175.564 176.300 0.031 0.000 1.089 390 D CA -0.069 53.852 54.000 -0.132 0.000 0.883 390 D CB 0.494 41.209 40.800 -0.142 0.000 1.029 390 D HN 0.300 nan 8.370 nan 0.000 0.517 391 I N 3.957 124.611 120.570 0.139 0.000 2.468 391 I HA 0.125 4.295 4.170 -0.001 0.000 0.285 391 I C 1.295 177.550 176.117 0.230 0.000 1.039 391 I CA -0.557 60.895 61.300 0.253 0.000 1.074 391 I CB 2.216 40.420 38.000 0.340 0.000 1.228 391 I HN 0.380 nan 8.210 nan 0.000 0.436 392 Q N 3.803 123.684 119.800 0.135 0.000 2.269 392 Q HA -0.026 4.313 4.340 -0.001 0.000 0.201 392 Q C 0.359 176.417 176.000 0.096 0.000 0.946 392 Q CA 0.771 56.631 55.803 0.096 0.000 0.877 392 Q CB -0.040 28.725 28.738 0.046 0.000 0.963 392 Q HN 0.573 nan 8.270 nan 0.000 0.472 393 N N 1.784 120.540 118.700 0.094 0.000 2.415 393 N HA 0.012 4.751 4.740 -0.001 0.000 0.250 393 N C 0.747 176.283 175.510 0.043 0.000 1.127 393 N CA -0.030 53.056 53.050 0.060 0.000 0.945 393 N CB 1.359 39.877 38.487 0.051 0.000 1.196 393 N HN 0.075 nan 8.380 nan 0.000 0.499 394 V N 3.159 123.091 119.914 0.028 0.000 2.418 394 V HA -0.314 3.805 4.120 -0.001 0.000 0.258 394 V C 1.530 177.605 176.094 -0.031 0.000 1.088 394 V CA 2.709 65.007 62.300 -0.004 0.000 1.091 394 V CB -0.498 31.320 31.823 -0.008 0.000 0.669 394 V HN 0.818 nan 8.190 nan 0.000 0.461 395 D N -1.155 119.233 120.400 -0.019 0.000 2.110 395 D HA -0.115 4.525 4.640 -0.001 0.000 0.202 395 D C 2.047 178.315 176.300 -0.054 0.000 0.975 395 D CA 1.391 55.371 54.000 -0.033 0.000 0.839 395 D CB -0.342 40.447 40.800 -0.018 0.000 0.996 395 D HN 0.361 nan 8.370 nan 0.000 0.464 396 L N 0.779 121.983 121.223 -0.032 0.000 2.042 396 L HA -0.150 4.189 4.340 -0.001 0.000 0.210 396 L C 1.959 178.793 176.870 -0.060 0.000 1.076 396 L CA 1.748 56.563 54.840 -0.042 0.000 0.749 396 L CB -1.362 40.695 42.059 -0.003 0.000 0.893 396 L HN 0.159 nan 8.230 nan 0.000 0.432 397 T N 0.043 114.574 114.554 -0.039 0.000 2.544 397 T HA -0.319 4.030 4.350 -0.001 0.000 0.264 397 T C 1.693 176.262 174.700 -0.218 0.000 1.096 397 T CA 2.145 64.191 62.100 -0.091 0.000 1.181 397 T CB -0.245 68.544 68.868 -0.131 0.000 0.864 397 T HN 0.470 nan 8.240 nan 0.000 0.415 398 E N 0.295 120.353 120.200 -0.238 0.000 2.086 398 E HA -0.273 4.076 4.350 -0.001 0.000 0.200 398 E C 2.408 178.741 176.600 -0.446 0.000 1.012 398 E CA 1.330 57.517 56.400 -0.355 0.000 0.812 398 E CB -0.048 29.527 29.700 -0.207 0.000 0.743 398 E HN 0.116 nan 8.360 nan 0.000 0.453 399 R N 0.050 120.385 120.500 -0.275 0.000 2.127 399 R HA -0.099 4.241 4.340 -0.001 0.000 0.238 399 R C 2.017 178.157 176.300 -0.266 0.000 1.134 399 R CA 1.438 57.391 56.100 -0.245 0.000 0.975 399 R CB -0.590 29.622 30.300 -0.147 0.000 0.865 399 R HN 0.355 nan 8.270 nan 0.000 0.447 400 A N -0.108 122.576 122.820 -0.228 0.000 1.874 400 A HA -0.016 4.304 4.320 -0.001 0.000 0.214 400 A C 2.102 179.556 177.584 -0.216 0.000 1.189 400 A CA 0.807 52.750 52.037 -0.158 0.000 0.615 400 A CB -0.512 18.459 19.000 -0.048 0.000 0.830 400 A HN 0.214 nan 8.150 nan 0.000 0.443 401 L N 0.096 121.125 121.223 -0.322 0.000 1.990 401 L HA -0.294 4.046 4.340 -0.001 0.000 0.213 401 L C 2.831 179.456 176.870 -0.408 0.000 1.072 401 L CA 2.198 56.837 54.840 -0.336 0.000 0.755 401 L CB -0.602 41.210 42.059 -0.412 0.000 0.889 401 L HN 0.561 nan 8.230 nan 0.000 0.432 402 R N 0.371 120.413 120.500 -0.764 0.000 2.193 402 R HA -0.066 4.273 4.340 -0.001 0.000 0.229 402 R C 1.909 177.532 176.300 -1.129 0.000 1.110 402 R CA 1.179 56.804 56.100 -0.793 0.000 0.988 402 R CB -0.560 29.256 30.300 -0.807 0.000 0.871 402 R HN 0.291 nan 8.270 nan 0.000 0.458 403 A N 0.399 122.787 122.820 -0.719 0.000 2.195 403 A HA 0.024 4.344 4.320 -0.001 0.000 0.210 403 A C 0.167 177.623 177.584 -0.214 0.000 1.165 403 A CA -0.388 51.309 52.037 -0.566 0.000 0.806 403 A CB -0.235 18.646 19.000 -0.198 0.000 0.847 403 A HN 0.442 nan 8.150 nan 0.000 0.482 404 Y N 2.637 122.784 120.300 -0.254 0.000 2.650 404 Y HA 0.201 4.750 4.550 -0.001 0.000 0.342 404 Y C -1.852 174.013 175.900 -0.059 0.000 1.110 404 Y CA -2.093 55.942 58.100 -0.108 0.000 1.438 404 Y CB 0.753 39.153 38.460 -0.101 0.000 1.181 404 Y HN 0.153 nan 8.280 nan 0.000 0.526 405 P HA 0.173 nan 4.420 nan 0.000 0.238 405 P C 0.182 177.091 177.300 -0.652 0.000 1.729 405 P CA 0.995 63.825 63.100 -0.450 0.000 1.055 405 P CB -0.184 31.367 31.700 -0.249 0.000 1.980 406 G N 0.828 109.338 108.800 -0.482 0.000 2.373 406 G HA2 0.035 3.994 3.960 -0.001 0.000 0.250 406 G HA3 0.035 3.994 3.960 -0.001 0.000 0.250 406 G C -1.683 173.251 174.900 0.056 0.000 1.304 406 G CA -0.913 44.052 45.100 -0.225 0.000 0.948 406 G HN 0.392 nan 8.290 nan 0.000 0.474 407 R N 0.664 121.263 120.500 0.166 0.000 2.310 407 R HA 0.627 4.966 4.340 -0.001 0.000 0.324 407 R C 0.571 176.979 176.300 0.180 0.000 0.955 407 R CA 0.241 56.411 56.100 0.115 0.000 0.830 407 R CB 1.040 31.321 30.300 -0.031 0.000 1.154 407 R HN 0.915 nan 8.270 nan 0.000 0.458 408 S N 3.674 119.376 115.700 0.003 0.000 2.719 408 S HA 0.507 4.977 4.470 -0.001 0.000 0.285 408 S C -0.570 173.944 174.600 -0.142 0.000 1.137 408 S CA -0.887 57.133 58.200 -0.301 0.000 1.012 408 S CB 1.291 63.958 63.200 -0.888 0.000 1.134 408 S HN 0.445 nan 8.310 nan 0.000 0.544 409 L N 1.007 122.156 121.223 -0.123 0.000 2.349 409 L HA 0.627 4.967 4.340 -0.001 0.000 0.278 409 L C -1.419 175.482 176.870 0.052 0.000 0.996 409 L CA -0.781 54.052 54.840 -0.012 0.000 0.825 409 L CB 1.175 43.249 42.059 0.026 0.000 1.243 409 L HN 0.737 nan 8.230 nan 0.000 0.412 410 F N 4.944 124.846 119.950 -0.080 0.000 2.411 410 F HA 0.395 4.921 4.527 -0.001 0.000 0.355 410 F C 0.495 176.265 175.800 -0.051 0.000 1.117 410 F CA -0.501 57.458 58.000 -0.069 0.000 1.139 410 F CB 0.510 39.481 39.000 -0.049 0.000 1.120 410 F HN 0.572 nan 8.300 nan 0.000 0.493 411 N N 4.535 122.866 118.700 -0.614 0.000 2.399 411 N HA 0.130 4.869 4.740 -0.001 0.000 0.259 411 N C -0.679 174.440 175.510 -0.652 0.000 1.160 411 N CA 0.780 53.521 53.050 -0.516 0.000 0.946 411 N CB 0.205 38.494 38.487 -0.330 0.000 1.156 411 N HN 0.760 nan 8.380 nan 0.000 0.489 412 S N 2.211 117.677 115.700 -0.390 0.000 3.027 412 S HA -0.026 4.443 4.470 -0.001 0.000 0.857 412 S C -1.090 173.365 174.600 -0.241 0.000 0.980 412 S CA 0.109 58.148 58.200 -0.269 0.000 1.337 412 S CB -1.107 61.959 63.200 -0.224 0.000 0.952 412 S HN 1.001 nan 8.310 nan 0.000 0.241 413 A N 5.090 127.846 122.820 -0.106 0.000 2.893 413 A HA 0.529 4.848 4.320 -0.001 0.000 0.298 413 A C -0.241 177.313 177.584 -0.050 0.000 1.227 413 A CA -0.463 51.550 52.037 -0.041 0.000 0.845 413 A CB 0.428 19.438 19.000 0.016 0.000 1.430 413 A HN 0.774 nan 8.150 nan 0.000 0.493 414 K N 0.168 120.528 120.400 -0.068 0.000 2.559 414 K HA 0.162 4.482 4.320 -0.001 0.000 0.279 414 K C 0.317 176.837 176.600 -0.132 0.000 0.967 414 K CA 0.261 56.485 56.287 -0.105 0.000 1.000 414 K CB 0.546 32.979 32.500 -0.111 0.000 0.890 414 K HN 0.351 nan 8.250 nan 0.000 0.501 415 V N 3.059 122.838 119.914 -0.224 0.000 2.359 415 V HA -0.010 4.109 4.120 -0.001 0.000 0.248 415 V C -0.215 175.755 176.094 -0.206 0.000 1.091 415 V CA 0.389 62.555 62.300 -0.222 0.000 1.103 415 V CB -0.787 30.844 31.823 -0.320 0.000 1.176 415 V HN 0.759 nan 8.190 nan 0.000 0.488 416 D N 2.193 122.524 120.400 -0.115 0.000 2.323 416 D HA 0.258 4.897 4.640 -0.001 0.000 0.242 416 D C 0.903 177.174 176.300 -0.048 0.000 1.347 416 D CA -0.490 53.464 54.000 -0.078 0.000 0.988 416 D CB 1.276 42.032 40.800 -0.073 0.000 1.314 416 D HN 0.349 nan 8.370 nan 0.000 0.564 417 E N 2.114 122.298 120.200 -0.027 0.000 2.430 417 E HA -0.401 3.949 4.350 -0.001 0.000 0.243 417 E C 0.968 177.558 176.600 -0.017 0.000 1.111 417 E CA 2.534 58.930 56.400 -0.008 0.000 1.097 417 E CB 0.204 29.907 29.700 0.006 0.000 0.941 417 E HN 0.662 nan 8.360 nan 0.000 0.473 418 E N -0.179 120.007 120.200 -0.023 0.000 2.028 418 E HA -0.117 4.232 4.350 -0.001 0.000 0.190 418 E C 2.108 178.680 176.600 -0.046 0.000 0.984 418 E CA 1.292 57.675 56.400 -0.028 0.000 0.800 418 E CB -0.291 29.397 29.700 -0.020 0.000 0.758 418 E HN 0.423 nan 8.360 nan 0.000 0.448 419 E N 0.596 120.770 120.200 -0.044 0.000 2.085 419 E HA -0.202 4.147 4.350 -0.001 0.000 0.194 419 E C 1.915 178.475 176.600 -0.066 0.000 0.994 419 E CA 0.726 57.100 56.400 -0.044 0.000 0.801 419 E CB -0.029 29.651 29.700 -0.034 0.000 0.743 419 E HN 0.164 nan 8.360 nan 0.000 0.453 420 L N 0.805 121.980 121.223 -0.080 0.000 1.925 420 L HA -0.224 4.115 4.340 -0.001 0.000 0.215 420 L C 2.478 179.220 176.870 -0.213 0.000 1.082 420 L CA 1.758 56.526 54.840 -0.119 0.000 0.764 420 L CB -0.567 41.436 42.059 -0.094 0.000 0.887 420 L HN 0.205 nan 8.230 nan 0.000 0.432 421 E N -0.502 119.558 120.200 -0.232 0.000 2.236 421 E HA -0.347 4.002 4.350 -0.001 0.000 0.205 421 E C 2.019 178.419 176.600 -0.332 0.000 1.028 421 E CA 1.635 57.790 56.400 -0.408 0.000 0.827 421 E CB -0.229 29.364 29.700 -0.178 0.000 0.735 421 E HN 0.472 nan 8.360 nan 0.000 0.470 422 M N 0.655 120.137 119.600 -0.197 0.000 2.132 422 M HA -0.164 4.316 4.480 -0.001 0.000 0.263 422 M C 1.790 177.979 176.300 -0.184 0.000 1.065 422 M CA 1.604 56.812 55.300 -0.152 0.000 1.122 422 M CB 0.016 32.562 32.600 -0.089 0.000 1.365 422 M HN -0.066 nan 8.290 nan 0.000 0.411 423 K N -0.110 120.175 120.400 -0.191 0.000 2.116 423 K HA -0.069 4.251 4.320 -0.001 0.000 0.203 423 K C 1.743 178.134 176.600 -0.348 0.000 1.052 423 K CA 0.958 57.122 56.287 -0.205 0.000 0.952 423 K CB -0.115 32.346 32.500 -0.065 0.000 0.729 423 K HN 0.210 nan 8.250 nan 0.000 0.446 424 I N 2.199 122.451 120.570 -0.530 0.000 2.264 424 I HA -0.297 3.873 4.170 -0.001 0.000 0.248 424 I C 1.461 177.186 176.117 -0.652 0.000 1.111 424 I CA 1.591 62.303 61.300 -0.980 0.000 1.382 424 I CB -0.542 36.818 38.000 -1.066 0.000 1.060 424 I HN 0.200 nan 8.210 nan 0.000 0.418 425 N N -0.363 118.085 118.700 -0.421 0.000 2.396 425 N HA -0.040 4.699 4.740 -0.001 0.000 0.180 425 N C 1.843 177.250 175.510 -0.171 0.000 1.028 425 N CA 0.485 53.385 53.050 -0.250 0.000 0.893 425 N CB 0.019 38.392 38.487 -0.190 0.000 0.967 425 N HN 0.286 nan 8.380 nan 0.000 0.440 426 L N 0.503 121.626 121.223 -0.167 0.000 2.068 426 L HA -0.017 4.322 4.340 -0.001 0.000 0.204 426 L C 1.930 178.788 176.870 -0.021 0.000 1.076 426 L CA 0.715 55.517 54.840 -0.064 0.000 0.753 426 L CB -0.153 41.829 42.059 -0.129 0.000 0.910 426 L HN 0.170 nan 8.230 nan 0.000 0.439 427 L N -0.517 120.652 121.223 -0.090 0.000 2.191 427 L HA -0.208 4.131 4.340 -0.001 0.000 0.212 427 L C 2.478 179.402 176.870 0.090 0.000 1.103 427 L CA 1.113 55.970 54.840 0.028 0.000 0.769 427 L CB -0.403 41.752 42.059 0.160 0.000 0.908 427 L HN 0.223 nan 8.230 nan 0.000 0.438 428 K N 0.263 120.676 120.400 0.022 0.000 2.062 428 K HA -0.186 4.134 4.320 -0.001 0.000 0.205 428 K C 2.196 178.764 176.600 -0.054 0.000 1.051 428 K CA 1.128 57.441 56.287 0.044 0.000 0.941 428 K CB 0.047 32.543 32.500 -0.007 0.000 0.719 428 K HN 0.152 nan 8.250 nan 0.000 0.440 429 K N -0.278 120.031 120.400 -0.152 0.000 2.167 429 K HA -0.102 4.217 4.320 -0.001 0.000 0.203 429 K C 1.199 177.522 176.600 -0.461 0.000 1.052 429 K CA 1.219 57.304 56.287 -0.337 0.000 0.956 429 K CB 0.158 32.355 32.500 -0.505 0.000 0.735 429 K HN 0.093 nan 8.250 nan 0.000 0.451 430 Y N -0.260 119.998 120.300 -0.070 0.000 2.507 430 Y HA 0.304 4.853 4.550 -0.001 0.000 0.263 430 Y C 0.638 176.483 175.900 -0.093 0.000 1.093 430 Y CA 0.369 58.416 58.100 -0.088 0.000 1.285 430 Y CB 1.253 39.638 38.460 -0.125 0.000 1.115 430 Y HN 0.228 nan 8.280 nan 0.000 0.533 431 G N -0.353 108.474 108.800 0.045 0.000 2.788 431 G HA2 0.415 4.374 3.960 -0.001 0.000 0.686 431 G HA3 0.415 4.374 3.960 -0.001 0.000 0.686 431 G C -0.285 174.620 174.900 0.007 0.000 1.147 431 G CA -0.448 44.651 45.100 -0.002 0.000 0.755 431 G HN 0.892 nan 8.290 nan 0.000 0.634 432 G N -0.404 108.386 108.800 -0.015 0.000 2.352 432 G HA2 0.775 4.734 3.960 -0.001 0.000 0.302 432 G HA3 0.775 4.734 3.960 -0.001 0.000 0.302 432 G C -0.293 174.580 174.900 -0.045 0.000 1.370 432 G CA 0.571 45.652 45.100 -0.030 0.000 0.918 432 G HN 2.546 nan 8.290 nan 0.000 0.610 433 T N -2.078 112.433 114.554 -0.071 0.000 2.950 433 T HA 0.794 5.143 4.350 -0.001 0.000 0.288 433 T C -0.826 173.927 174.700 0.088 0.000 1.035 433 T CA -0.808 61.233 62.100 -0.099 0.000 1.028 433 T CB 2.185 70.889 68.868 -0.274 0.000 1.109 433 T HN 1.448 nan 8.240 nan 0.000 0.514 434 L N 1.322 122.624 121.223 0.132 0.000 2.386 434 L HA 0.571 4.911 4.340 -0.001 0.000 0.271 434 L C -1.100 175.780 176.870 0.017 0.000 0.993 434 L CA -1.180 53.760 54.840 0.167 0.000 0.819 434 L CB 1.613 43.863 42.059 0.318 0.000 1.294 434 L HN 0.660 nan 8.230 nan 0.000 0.414 435 I N 6.349 126.905 120.570 -0.024 0.000 2.260 435 I HA 0.170 4.339 4.170 -0.001 0.000 0.297 435 I C -0.146 175.917 176.117 -0.090 0.000 1.143 435 I CA -0.241 61.002 61.300 -0.095 0.000 1.271 435 I CB 0.749 38.685 38.000 -0.107 0.000 1.461 435 I HN 0.241 nan 8.210 nan 0.000 0.530 436 V N 7.345 127.176 119.914 -0.138 0.000 2.470 436 V HA 0.064 4.184 4.120 -0.001 0.000 0.276 436 V C 0.209 176.358 176.094 0.092 0.000 1.040 436 V CA -0.456 61.811 62.300 -0.054 0.000 1.008 436 V CB 1.547 33.282 31.823 -0.148 0.000 0.990 436 V HN 0.404 nan 8.190 nan 0.000 0.477 437 L N 7.584 128.843 121.223 0.061 0.000 2.255 437 L HA 0.442 4.781 4.340 -0.001 0.000 0.289 437 L C -0.038 176.885 176.870 0.089 0.000 1.046 437 L CA -0.067 54.820 54.840 0.079 0.000 0.816 437 L CB 0.765 42.828 42.059 0.008 0.000 1.197 437 L HN 0.530 nan 8.230 nan 0.000 0.427 438 L N 7.517 128.844 121.223 0.174 0.000 2.699 438 L HA 0.200 4.540 4.340 -0.001 0.000 0.283 438 L C 0.346 177.330 176.870 0.190 0.000 1.166 438 L CA 0.659 55.615 54.840 0.193 0.000 1.043 438 L CB -0.518 41.690 42.059 0.247 0.000 1.369 438 L HN 0.879 nan 8.230 nan 0.000 0.462 439 M N 1.512 121.061 119.600 -0.085 0.000 3.383 439 M HA 0.574 5.054 4.480 -0.001 0.000 0.467 439 M C -0.195 175.819 176.300 -0.478 0.000 1.924 439 M CA 0.306 55.560 55.300 -0.077 0.000 0.846 439 M CB 1.058 33.677 32.600 0.031 0.000 3.246 439 M HN 0.464 nan 8.290 nan 0.000 0.500 440 G N 1.385 110.081 108.800 -0.173 0.000 2.512 440 G HA2 -0.088 3.871 3.960 -0.001 0.000 0.210 440 G HA3 -0.088 3.871 3.960 -0.001 0.000 0.210 440 G C -0.059 174.806 174.900 -0.059 0.000 1.295 440 G CA 0.881 45.880 45.100 -0.168 0.000 0.934 440 G HN 1.230 nan 8.290 nan 0.000 0.554 441 K N -2.237 118.134 120.400 -0.049 0.000 9.946 441 K HA -0.410 3.909 4.320 -0.001 0.000 0.466 441 K C 1.690 178.326 176.600 0.060 0.000 0.475 441 K CA 3.586 59.897 56.287 0.041 0.000 1.661 441 K CB -1.440 31.153 32.500 0.155 0.000 0.801 441 K HN 0.804 nan 8.250 nan 0.000 1.159 442 D N -1.275 119.193 120.400 0.113 0.000 3.161 442 D HA 0.322 4.961 4.640 -0.001 0.000 0.287 442 D C -0.342 176.008 176.300 0.083 0.000 1.343 442 D CA 0.490 54.537 54.000 0.079 0.000 1.070 442 D CB 0.613 41.455 40.800 0.070 0.000 1.188 442 D HN 0.165 nan 8.370 nan 0.000 0.409 443 V N 1.174 121.171 119.914 0.138 0.000 3.578 443 V HA 0.009 4.128 4.120 -0.001 0.000 0.265 443 V C -2.598 173.561 176.094 0.107 0.000 1.681 443 V CA -1.200 61.181 62.300 0.136 0.000 1.136 443 V CB 0.081 31.944 31.823 0.067 0.000 1.319 443 V HN 0.071 nan 8.190 nan 0.000 0.545 444 P HA -0.005 nan 4.420 nan 0.000 0.277 444 P C 0.531 177.843 177.300 0.020 0.000 1.237 444 P CA 0.724 63.849 63.100 0.042 0.000 0.819 444 P CB 0.500 32.251 31.700 0.084 0.000 0.841 445 K N -1.146 119.251 120.400 -0.006 0.000 2.868 445 K HA 0.100 4.420 4.320 -0.001 0.000 0.197 445 K C 0.760 177.365 176.600 0.009 0.000 1.543 445 K CA 0.161 56.447 56.287 -0.001 0.000 1.212 445 K CB 0.218 32.710 32.500 -0.014 0.000 1.840 445 K HN 0.574 nan 8.250 nan 0.000 0.571 446 S N -0.247 115.448 115.700 -0.008 0.000 2.758 446 S HA 0.230 4.699 4.470 -0.001 0.000 0.292 446 S C 0.621 175.251 174.600 0.049 0.000 1.131 446 S CA -0.712 57.499 58.200 0.018 0.000 0.997 446 S CB 0.893 64.080 63.200 -0.022 0.000 1.111 446 S HN 0.219 nan 8.310 nan 0.000 0.552 447 F N 1.370 121.280 119.950 -0.068 0.000 2.615 447 F HA 0.238 4.764 4.527 -0.001 0.000 0.297 447 F C 1.887 177.602 175.800 -0.143 0.000 1.124 447 F CA 0.671 58.619 58.000 -0.086 0.000 1.451 447 F CB -0.277 38.675 39.000 -0.079 0.000 1.103 447 F HN 0.644 nan 8.300 nan 0.000 0.569 448 E N 0.501 120.432 120.200 -0.448 0.000 2.230 448 E HA -0.102 4.247 4.350 -0.001 0.000 0.192 448 E C 1.648 178.007 176.600 -0.403 0.000 0.987 448 E CA 0.948 57.010 56.400 -0.563 0.000 0.841 448 E CB -0.563 28.930 29.700 -0.345 0.000 0.783 448 E HN 0.596 nan 8.360 nan 0.000 0.481 449 E N 1.267 121.286 120.200 -0.302 0.000 2.076 449 E HA -0.007 4.342 4.350 -0.001 0.000 0.190 449 E C 2.228 178.601 176.600 -0.378 0.000 0.979 449 E CA 0.364 56.557 56.400 -0.345 0.000 0.807 449 E CB -0.056 29.455 29.700 -0.316 0.000 0.761 449 E HN 0.130 nan 8.360 nan 0.000 0.454 450 R N 1.159 121.527 120.500 -0.220 0.000 2.091 450 R HA -0.118 4.221 4.340 -0.001 0.000 0.238 450 R C 2.272 178.544 176.300 -0.048 0.000 1.136 450 R CA 1.137 57.208 56.100 -0.049 0.000 0.959 450 R CB -0.187 30.148 30.300 0.057 0.000 0.856 450 R HN -0.015 nan 8.270 nan 0.000 0.437 451 K N 0.832 121.083 120.400 -0.249 0.000 2.360 451 K HA -0.154 4.166 4.320 -0.001 0.000 0.201 451 K C 1.460 178.011 176.600 -0.082 0.000 1.046 451 K CA 1.177 57.296 56.287 -0.280 0.000 0.945 451 K CB 0.211 32.248 32.500 -0.771 0.000 0.750 451 K HN 0.265 nan 8.250 nan 0.000 0.464 452 E N -0.945 119.178 120.200 -0.129 0.000 2.060 452 E HA -0.103 4.246 4.350 -0.001 0.000 0.189 452 E C 1.634 178.282 176.600 0.080 0.000 0.974 452 E CA 0.700 57.057 56.400 -0.072 0.000 0.808 452 E CB -0.048 29.540 29.700 -0.186 0.000 0.768 452 E HN 0.395 nan 8.360 nan 0.000 0.453 453 Y N -0.160 120.143 120.300 0.005 0.000 2.207 453 Y HA -0.271 4.278 4.550 -0.001 0.000 0.287 453 Y C 2.264 178.174 175.900 0.018 0.000 1.156 453 Y CA 0.455 58.565 58.100 0.016 0.000 1.182 453 Y CB -0.064 38.412 38.460 0.027 0.000 0.979 453 Y HN 0.107 nan 8.280 nan 0.000 0.521 454 F N 1.430 121.408 119.950 0.048 0.000 2.051 454 F HA -0.239 4.288 4.527 -0.001 0.000 0.296 454 F C 2.198 177.961 175.800 -0.062 0.000 1.122 454 F CA 1.920 59.835 58.000 -0.142 0.000 1.201 454 F CB -0.439 38.451 39.000 -0.184 0.000 0.978 454 F HN -0.117 nan 8.300 nan 0.000 0.472 455 E N 0.791 121.045 120.200 0.090 0.000 2.070 455 E HA -0.274 4.076 4.350 -0.001 0.000 0.197 455 E C 2.264 178.824 176.600 -0.066 0.000 1.004 455 E CA 1.876 58.281 56.400 0.008 0.000 0.805 455 E CB -0.398 29.366 29.700 0.107 0.000 0.744 455 E HN 0.450 nan 8.360 nan 0.000 0.451 456 K N -0.390 120.014 120.400 0.007 0.000 1.991 456 K HA -0.185 4.135 4.320 -0.001 0.000 0.212 456 K C 2.077 178.664 176.600 -0.022 0.000 1.049 456 K CA 1.543 57.842 56.287 0.021 0.000 0.932 456 K CB -0.298 32.260 32.500 0.096 0.000 0.717 456 K HN 0.152 nan 8.250 nan 0.000 0.441 457 A N 1.473 124.269 122.820 -0.040 0.000 1.883 457 A HA -0.185 4.135 4.320 -0.001 0.000 0.217 457 A C 2.087 179.626 177.584 -0.075 0.000 1.186 457 A CA 1.625 53.643 52.037 -0.032 0.000 0.624 457 A CB -0.813 18.211 19.000 0.041 0.000 0.822 457 A HN 0.445 nan 8.150 nan 0.000 0.444 458 L N -0.149 120.922 121.223 -0.253 0.000 2.189 458 L HA -0.193 4.146 4.340 -0.001 0.000 0.214 458 L C 2.074 178.893 176.870 -0.086 0.000 1.097 458 L CA 2.260 56.937 54.840 -0.273 0.000 0.764 458 L CB -0.418 41.272 42.059 -0.616 0.000 0.900 458 L HN 0.408 nan 8.230 nan 0.000 0.436 459 K N -0.888 119.475 120.400 -0.060 0.000 2.137 459 K HA 0.011 4.331 4.320 -0.001 0.000 0.202 459 K C 2.068 178.678 176.600 0.017 0.000 1.052 459 K CA 1.340 57.621 56.287 -0.009 0.000 0.961 459 K CB -0.078 32.419 32.500 -0.005 0.000 0.741 459 K HN 0.340 nan 8.250 nan 0.000 0.452 460 I N 1.400 121.987 120.570 0.028 0.000 2.163 460 I HA -0.274 3.896 4.170 -0.001 0.000 0.240 460 I C 2.248 178.449 176.117 0.139 0.000 1.081 460 I CA 1.193 62.541 61.300 0.080 0.000 1.353 460 I CB -0.329 37.713 38.000 0.070 0.000 1.054 460 I HN 0.079 nan 8.210 nan 0.000 0.407 461 L N 0.286 121.575 121.223 0.110 0.000 1.970 461 L HA -0.260 4.079 4.340 -0.001 0.000 0.212 461 L C 2.613 179.583 176.870 0.166 0.000 1.071 461 L CA 1.527 56.466 54.840 0.166 0.000 0.751 461 L CB -0.780 41.363 42.059 0.140 0.000 0.889 461 L HN 0.193 nan 8.230 nan 0.000 0.432 462 E N 0.168 120.432 120.200 0.108 0.000 2.169 462 E HA -0.291 4.059 4.350 -0.001 0.000 0.202 462 E C 2.183 178.821 176.600 0.063 0.000 1.016 462 E CA 1.640 58.094 56.400 0.089 0.000 0.817 462 E CB -0.147 29.590 29.700 0.062 0.000 0.736 462 E HN 0.239 nan 8.360 nan 0.000 0.462 463 R N -0.824 119.694 120.500 0.031 0.000 2.075 463 R HA -0.107 4.232 4.340 -0.001 0.000 0.232 463 R C 1.634 177.872 176.300 -0.103 0.000 1.126 463 R CA 1.438 57.502 56.100 -0.060 0.000 0.963 463 R CB -0.217 30.006 30.300 -0.129 0.000 0.858 463 R HN 0.334 nan 8.270 nan 0.000 0.435 464 H N 0.619 119.711 119.070 0.037 0.000 2.543 464 H HA -0.003 4.553 4.556 -0.001 0.000 0.269 464 H C -0.136 175.253 175.328 0.102 0.000 1.005 464 H CA 0.598 56.670 56.048 0.040 0.000 1.146 464 H CB -0.062 29.696 29.762 -0.007 0.000 1.353 464 H HN 0.410 nan 8.280 nan 0.000 0.595 465 D N -0.294 120.215 120.400 0.181 0.000 2.697 465 D HA -0.258 4.382 4.640 -0.001 0.000 0.235 465 D C -0.066 176.371 176.300 0.229 0.000 1.167 465 D CA 0.341 54.434 54.000 0.156 0.000 0.656 465 D CB -1.384 39.475 40.800 0.098 0.000 1.025 465 D HN 0.407 nan 8.370 nan 0.000 0.419 466 F N -0.289 119.703 119.950 0.070 0.000 2.772 466 F HA 0.158 4.684 4.527 -0.001 0.000 0.316 466 F C 1.774 177.607 175.800 0.054 0.000 1.114 466 F CA 0.391 58.419 58.000 0.045 0.000 1.191 466 F CB 0.360 39.377 39.000 0.029 0.000 1.065 466 F HN 0.034 nan 8.300 nan 0.000 0.534 467 S N 0.734 116.539 115.700 0.174 0.000 2.359 467 S HA -0.222 4.248 4.470 -0.001 0.000 0.224 467 S C 1.582 176.285 174.600 0.172 0.000 1.035 467 S CA 2.168 60.480 58.200 0.187 0.000 1.018 467 S CB -0.373 62.954 63.200 0.212 0.000 0.876 467 S HN 0.606 nan 8.310 nan 0.000 0.448 468 D N -0.033 120.404 120.400 0.062 0.000 2.400 468 D HA 0.059 4.699 4.640 -0.001 0.000 0.243 468 D C 0.737 177.027 176.300 -0.016 0.000 1.184 468 D CA -0.038 53.992 54.000 0.050 0.000 0.853 468 D CB -0.473 40.333 40.800 0.009 0.000 0.944 468 D HN 0.418 nan 8.370 nan 0.000 0.501 469 R N -0.115 120.287 120.500 -0.164 0.000 2.616 469 R HA 0.227 4.566 4.340 -0.001 0.000 0.427 469 R C -0.211 176.012 176.300 -0.129 0.000 1.030 469 R CA -0.253 55.643 56.100 -0.341 0.000 1.133 469 R CB 1.444 31.100 30.300 -1.073 0.000 1.444 469 R HN 0.172 nan 8.270 nan 0.000 0.578 470 V N -1.463 118.467 119.914 0.027 0.000 3.046 470 V HA 0.774 4.893 4.120 -0.001 0.000 0.316 470 V C -0.483 175.450 176.094 -0.268 0.000 1.104 470 V CA -1.304 60.922 62.300 -0.123 0.000 1.006 470 V CB 2.227 33.829 31.823 -0.369 0.000 1.058 470 V HN 0.158 nan 8.190 nan 0.000 0.440 471 I N 0.537 120.853 120.570 -0.424 0.000 2.586 471 I HA 0.652 4.822 4.170 -0.001 0.000 0.288 471 I C -1.472 174.420 176.117 -0.374 0.000 1.147 471 I CA -0.332 60.703 61.300 -0.442 0.000 1.047 471 I CB 1.536 39.243 38.000 -0.488 0.000 1.244 471 I HN 0.600 nan 8.210 nan 0.000 0.429 472 F N 5.109 125.024 119.950 -0.058 0.000 2.412 472 F HA 0.422 4.948 4.527 -0.001 0.000 0.348 472 F C 0.448 176.253 175.800 0.009 0.000 1.102 472 F CA -0.032 57.963 58.000 -0.007 0.000 1.196 472 F CB 0.843 39.871 39.000 0.048 0.000 1.144 472 F HN 0.494 nan 8.300 nan 0.000 0.541 473 D N 5.322 125.864 120.400 0.237 0.000 2.453 473 D HA 0.213 4.853 4.640 -0.001 0.000 0.238 473 D C -1.701 174.705 176.300 0.177 0.000 1.088 473 D CA -2.670 51.422 54.000 0.153 0.000 0.854 473 D CB 1.607 42.456 40.800 0.081 0.000 1.076 473 D HN 0.120 nan 8.370 nan 0.000 0.533 474 P HA -0.008 nan 4.420 nan 0.000 0.221 474 P C 0.496 177.885 177.300 0.148 0.000 1.145 474 P CA 0.888 64.090 63.100 0.170 0.000 0.795 474 P CB 0.111 31.915 31.700 0.174 0.000 0.775 475 G N -0.650 108.225 108.800 0.124 0.000 3.292 475 G HA2 -0.101 3.859 3.960 -0.001 0.000 0.636 475 G HA3 -0.101 3.859 3.960 -0.001 0.000 0.636 475 G C -0.640 174.298 174.900 0.064 0.000 1.069 475 G CA -0.639 44.514 45.100 0.088 0.000 0.890 475 G HN 0.178 nan 8.290 nan 0.000 0.427 476 V N 4.417 124.351 119.914 0.033 0.000 2.320 476 V HA 0.421 4.541 4.120 -0.001 0.000 0.265 476 V C 1.006 177.069 176.094 -0.052 0.000 1.048 476 V CA -0.424 61.855 62.300 -0.034 0.000 0.865 476 V CB 0.902 32.685 31.823 -0.066 0.000 1.043 476 V HN 0.599 nan 8.190 nan 0.000 0.474 477 L N 7.376 128.567 121.223 -0.054 0.000 2.305 477 L HA 0.420 4.759 4.340 -0.001 0.000 0.281 477 L C -2.203 174.619 176.870 -0.080 0.000 1.085 477 L CA -1.877 52.934 54.840 -0.048 0.000 0.813 477 L CB 0.623 42.666 42.059 -0.027 0.000 1.157 477 L HN 0.349 nan 8.230 nan 0.000 0.436 478 P HA -0.093 nan 4.420 nan 0.000 0.263 478 P C 1.024 178.269 177.300 -0.093 0.000 1.175 478 P CA 0.127 63.172 63.100 -0.093 0.000 0.761 478 P CB 0.466 32.120 31.700 -0.077 0.000 0.794 479 L N 1.922 123.077 121.223 -0.114 0.000 2.083 479 L HA 0.018 4.358 4.340 -0.001 0.000 0.209 479 L C 1.420 178.243 176.870 -0.078 0.000 1.083 479 L CA 1.606 56.391 54.840 -0.092 0.000 0.752 479 L CB -1.542 40.460 42.059 -0.094 0.000 0.899 479 L HN 0.341 nan 8.230 nan 0.000 0.433 480 G N 0.182 108.924 108.800 -0.096 0.000 2.843 480 G HA2 0.438 4.397 3.960 -0.001 0.000 0.275 480 G HA3 0.438 4.397 3.960 -0.001 0.000 0.275 480 G C 0.255 175.120 174.900 -0.057 0.000 0.709 480 G CA 0.588 45.641 45.100 -0.078 0.000 2.089 480 G HN 0.901 nan 8.290 nan 0.000 0.571 481 A N 1.300 124.092 122.820 -0.046 0.000 3.699 481 A HA 0.303 4.622 4.320 -0.001 0.000 0.081 481 A C 1.159 178.726 177.584 -0.028 0.000 1.305 481 A CA 0.601 52.618 52.037 -0.035 0.000 1.370 481 A CB -0.768 18.210 19.000 -0.036 0.000 1.239 481 A HN 0.379 nan 8.150 nan 0.000 0.568 482 E N -0.185 119.999 120.200 -0.025 0.000 2.058 482 E HA 0.219 4.568 4.350 -0.001 0.000 0.194 482 E C 1.536 178.124 176.600 -0.021 0.000 0.997 482 E CA 3.328 59.718 56.400 -0.018 0.000 0.801 482 E CB -0.638 29.054 29.700 -0.013 0.000 0.746 482 E HN 2.165 nan 8.360 nan 0.000 0.450 483 G N 0.433 109.212 108.800 -0.034 0.000 2.601 483 G HA2 -0.517 3.443 3.960 -0.001 0.000 0.306 483 G HA3 -0.517 3.443 3.960 -0.001 0.000 0.306 483 G C 0.164 175.046 174.900 -0.031 0.000 1.172 483 G CA 0.610 45.685 45.100 -0.042 0.000 0.966 483 G HN 0.364 nan 8.290 nan 0.000 0.542 484 K N -0.342 120.052 120.400 -0.010 0.000 3.016 484 K HA -0.205 4.115 4.320 -0.001 0.000 0.262 484 K C -1.299 175.311 176.600 0.016 0.000 1.043 484 K CA 0.829 57.122 56.287 0.009 0.000 0.761 484 K CB -1.191 31.319 32.500 0.016 0.000 1.230 484 K HN 0.451 nan 8.250 nan 0.000 0.485 485 P HA -0.278 nan 4.420 nan 0.000 0.218 485 P C 1.466 178.845 177.300 0.132 0.000 1.152 485 P CA 1.430 64.538 63.100 0.013 0.000 0.857 485 P CB 0.128 31.826 31.700 -0.004 0.000 0.787 486 V N 0.040 120.009 119.914 0.091 0.000 2.594 486 V HA -0.220 3.900 4.120 -0.001 0.000 0.253 486 V C 1.991 178.105 176.094 0.035 0.000 1.069 486 V CA 1.989 64.330 62.300 0.067 0.000 1.082 486 V CB -0.873 30.970 31.823 0.035 0.000 0.680 486 V HN 0.048 nan 8.190 nan 0.000 0.469 487 E N -0.060 120.171 120.200 0.052 0.000 2.208 487 E HA -0.089 4.260 4.350 -0.001 0.000 0.193 487 E C 2.217 178.873 176.600 0.094 0.000 0.988 487 E CA 1.333 57.776 56.400 0.071 0.000 0.828 487 E CB -0.236 29.521 29.700 0.095 0.000 0.763 487 E HN 0.601 nan 8.360 nan 0.000 0.478 488 V N 1.640 121.624 119.914 0.116 0.000 2.255 488 V HA -0.225 3.895 4.120 -0.001 0.000 0.243 488 V C 2.560 178.736 176.094 0.136 0.000 1.038 488 V CA 1.254 63.654 62.300 0.165 0.000 1.008 488 V CB -0.634 31.331 31.823 0.237 0.000 0.645 488 V HN 0.202 nan 8.190 nan 0.000 0.449 489 L N -0.251 121.056 121.223 0.142 0.000 2.064 489 L HA -0.311 4.028 4.340 -0.001 0.000 0.216 489 L C 2.615 179.442 176.870 -0.072 0.000 1.077 489 L CA 1.973 56.835 54.840 0.037 0.000 0.766 489 L CB -0.888 41.185 42.059 0.023 0.000 0.890 489 L HN 0.348 nan 8.230 nan 0.000 0.435 490 K N -0.576 119.709 120.400 -0.192 0.000 2.063 490 K HA -0.152 4.168 4.320 -0.001 0.000 0.208 490 K C 2.097 178.471 176.600 -0.376 0.000 1.048 490 K CA 1.904 57.880 56.287 -0.518 0.000 0.928 490 K CB -0.340 31.483 32.500 -1.128 0.000 0.713 490 K HN 0.361 nan 8.250 nan 0.000 0.442 491 T N 2.122 116.645 114.554 -0.051 0.000 2.674 491 T HA -0.108 4.242 4.350 -0.001 0.000 0.265 491 T C 1.887 176.668 174.700 0.135 0.000 1.039 491 T CA 0.974 63.205 62.100 0.219 0.000 1.150 491 T CB -0.142 68.869 68.868 0.239 0.000 0.864 491 T HN 0.055 nan 8.240 nan 0.000 0.427 492 I N 1.528 122.144 120.570 0.077 0.000 2.143 492 I HA -0.241 3.928 4.170 -0.001 0.000 0.245 492 I C 2.582 178.712 176.117 0.021 0.000 1.068 492 I CA 1.784 63.114 61.300 0.050 0.000 1.326 492 I CB -1.075 36.938 38.000 0.021 0.000 1.028 492 I HN 0.459 nan 8.210 nan 0.000 0.412 493 E N 0.096 120.295 120.200 -0.001 0.000 2.152 493 E HA -0.235 4.114 4.350 -0.001 0.000 0.192 493 E C 2.269 178.887 176.600 0.029 0.000 0.983 493 E CA 0.760 57.155 56.400 -0.009 0.000 0.818 493 E CB -0.135 29.539 29.700 -0.043 0.000 0.758 493 E HN 0.333 nan 8.360 nan 0.000 0.467 494 F N 1.476 121.379 119.950 -0.078 0.000 2.039 494 F HA -0.107 4.419 4.527 -0.001 0.000 0.294 494 F C 1.954 177.669 175.800 -0.141 0.000 1.130 494 F CA 1.501 59.463 58.000 -0.063 0.000 1.189 494 F CB -0.606 38.427 39.000 0.054 0.000 0.983 494 F HN -0.037 nan 8.300 nan 0.000 0.471 495 I N -0.129 120.228 120.570 -0.355 0.000 2.091 495 I HA -0.451 3.719 4.170 -0.001 0.000 0.240 495 I C 2.777 178.771 176.117 -0.206 0.000 1.046 495 I CA 1.989 63.006 61.300 -0.471 0.000 1.306 495 I CB -1.058 36.840 38.000 -0.169 0.000 1.018 495 I HN 0.305 nan 8.210 nan 0.000 0.404 496 S N 0.444 116.091 115.700 -0.087 0.000 2.392 496 S HA -0.246 4.223 4.470 -0.001 0.000 0.232 496 S C 2.184 176.734 174.600 -0.082 0.000 1.041 496 S CA 2.134 60.310 58.200 -0.041 0.000 1.026 496 S CB -0.419 62.769 63.200 -0.020 0.000 0.845 496 S HN 0.660 nan 8.310 nan 0.000 0.465 497 S N 0.314 115.928 115.700 -0.143 0.000 2.428 497 S HA 0.086 4.555 4.470 -0.001 0.000 0.230 497 S C 1.484 175.990 174.600 -0.157 0.000 1.014 497 S CA 0.468 58.590 58.200 -0.131 0.000 0.957 497 S CB -0.304 62.825 63.200 -0.118 0.000 0.784 497 S HN 0.364 nan 8.310 nan 0.000 0.499 498 K N 1.321 121.583 120.400 -0.229 0.000 2.522 498 K HA 0.256 4.575 4.320 -0.001 0.000 0.194 498 K C 1.239 177.781 176.600 -0.096 0.000 1.026 498 K CA 0.509 56.728 56.287 -0.114 0.000 1.119 498 K CB -0.705 31.738 32.500 -0.094 0.000 0.856 498 K HN 0.618 nan 8.250 nan 0.000 0.513 499 G N 1.388 110.109 108.800 -0.132 0.000 2.176 499 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.252 499 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.252 499 G C -0.289 174.414 174.900 -0.327 0.000 1.024 499 G CA -0.150 44.812 45.100 -0.230 0.000 0.755 499 G HN 0.261 nan 8.290 nan 0.000 0.507 500 F N 0.501 120.453 119.950 0.002 0.000 2.458 500 F HA 0.461 4.988 4.527 -0.001 0.000 0.336 500 F C 0.788 176.563 175.800 -0.042 0.000 1.114 500 F CA -1.201 56.822 58.000 0.038 0.000 0.987 500 F CB 1.117 40.310 39.000 0.322 0.000 1.130 500 F HN -0.086 nan 8.300 nan 0.000 0.458 501 N N 1.358 120.046 118.700 -0.020 0.000 2.374 501 N HA 0.142 4.882 4.740 -0.001 0.000 0.241 501 N C -0.187 175.291 175.510 -0.052 0.000 1.262 501 N CA 0.571 53.522 53.050 -0.165 0.000 0.880 501 N CB 1.010 39.160 38.487 -0.561 0.000 1.105 501 N HN 0.757 nan 8.380 nan 0.000 0.438 502 T N -2.367 112.165 114.554 -0.037 0.000 2.865 502 T HA 0.661 5.010 4.350 -0.001 0.000 0.294 502 T C -0.136 174.558 174.700 -0.010 0.000 1.119 502 T CA -0.806 61.311 62.100 0.028 0.000 1.007 502 T CB 2.262 71.178 68.868 0.081 0.000 1.225 502 T HN 0.394 nan 8.240 nan 0.000 0.515 503 T N -0.394 114.178 114.554 0.031 0.000 2.769 503 T HA 0.698 5.048 4.350 -0.001 0.000 0.306 503 T C -1.677 173.072 174.700 0.083 0.000 1.400 503 T CA -0.060 62.056 62.100 0.027 0.000 1.007 503 T CB 1.405 70.271 68.868 -0.004 0.000 1.392 503 T HN 1.701 nan 8.240 nan 0.000 0.500 504 V N -0.423 119.552 119.914 0.101 0.000 3.216 504 V HA 0.899 5.018 4.120 -0.001 0.000 0.302 504 V C 1.112 177.276 176.094 0.116 0.000 1.286 504 V CA 0.036 62.422 62.300 0.143 0.000 1.048 504 V CB 1.146 33.126 31.823 0.262 0.000 1.081 504 V HN 0.998 nan 8.190 nan 0.000 0.442 505 G N -0.668 108.192 108.800 0.099 0.000 2.404 505 G HA2 0.122 4.082 3.960 -0.001 0.000 0.215 505 G HA3 0.122 4.082 3.960 -0.001 0.000 0.215 505 G C 0.946 175.897 174.900 0.085 0.000 1.174 505 G CA 1.399 46.536 45.100 0.061 0.000 0.780 505 G HN 1.493 nan 8.290 nan 0.000 0.537 506 L N -0.767 120.531 121.223 0.125 0.000 3.470 506 L HA -0.321 4.018 4.340 -0.001 0.000 0.128 506 L C 2.212 179.128 176.870 0.077 0.000 4.405 506 L CA 2.671 57.609 54.840 0.163 0.000 0.603 506 L CB -1.582 40.589 42.059 0.188 0.000 3.528 506 L HN 0.205 nan 8.230 nan 0.000 0.821 507 S N -0.340 115.393 115.700 0.056 0.000 2.493 507 S HA -0.096 4.373 4.470 -0.001 0.000 0.243 507 S C 0.805 175.402 174.600 -0.004 0.000 0.991 507 S CA 1.167 59.384 58.200 0.027 0.000 0.957 507 S CB -1.013 62.198 63.200 0.019 0.000 0.756 507 S HN 0.627 nan 8.310 nan 0.000 0.521 508 N N 1.215 119.905 118.700 -0.016 0.000 3.210 508 N HA 0.311 5.050 4.740 -0.001 0.000 0.314 508 N C -0.941 174.518 175.510 -0.085 0.000 1.291 508 N CA -0.133 52.889 53.050 -0.047 0.000 1.202 508 N CB 0.103 38.563 38.487 -0.044 0.000 1.475 508 N HN 0.102 nan 8.380 nan 0.000 0.554 517 S N 0.075 115.866 115.700 0.151 0.000 2.400 517 S HA -0.210 4.260 4.470 -0.001 0.000 0.234 517 S C 1.603 176.153 174.600 -0.085 0.000 1.049 517 S CA 2.020 60.194 58.200 -0.044 0.000 1.039 517 S CB -0.340 62.713 63.200 -0.245 0.000 0.856 517 S HN 0.436 nan 8.310 nan 0.000 0.465 518 Y N -0.530 119.830 120.300 0.101 0.000 2.293 518 Y HA 0.011 4.560 4.550 -0.001 0.000 0.291 518 Y C 2.070 177.937 175.900 -0.054 0.000 1.137 518 Y CA 1.150 59.248 58.100 -0.004 0.000 1.202 518 Y CB -0.703 37.709 38.460 -0.080 0.000 0.990 518 Y HN 0.343 nan 8.280 nan 0.000 0.537 519 Y N -0.034 120.380 120.300 0.189 0.000 2.286 519 Y HA -0.156 4.394 4.550 -0.001 0.000 0.293 519 Y C 2.076 178.063 175.900 0.145 0.000 1.124 519 Y CA 0.861 59.043 58.100 0.137 0.000 1.178 519 Y CB -0.443 38.068 38.460 0.085 0.000 1.010 519 Y HN 0.135 nan 8.280 nan 0.000 0.536 520 N N -0.691 118.164 118.700 0.258 0.000 2.106 520 N HA -0.128 4.611 4.740 -0.001 0.000 0.188 520 N C 1.798 177.405 175.510 0.163 0.000 1.029 520 N CA 1.895 55.070 53.050 0.208 0.000 0.848 520 N CB -0.807 37.758 38.487 0.131 0.000 1.007 520 N HN 0.270 nan 8.380 nan 0.000 0.423 521 T N 1.565 116.166 114.554 0.078 0.000 2.674 521 T HA -0.072 4.278 4.350 -0.001 0.000 0.265 521 T C 2.050 176.768 174.700 0.031 0.000 1.039 521 T CA 1.558 63.669 62.100 0.018 0.000 1.150 521 T CB -0.439 68.406 68.868 -0.037 0.000 0.864 521 T HN 0.338 nan 8.240 nan 0.000 0.427 522 A N 1.213 124.065 122.820 0.055 0.000 1.865 522 A HA -0.105 4.215 4.320 -0.001 0.000 0.217 522 A C 2.057 179.693 177.584 0.087 0.000 1.191 522 A CA 1.759 53.822 52.037 0.044 0.000 0.623 522 A CB -1.092 17.916 19.000 0.012 0.000 0.826 522 A HN 0.474 nan 8.150 nan 0.000 0.444 523 F N 0.057 120.021 119.950 0.024 0.000 2.134 523 F HA -0.114 4.413 4.527 -0.001 0.000 0.299 523 F C 1.845 177.662 175.800 0.029 0.000 1.097 523 F CA 1.510 59.533 58.000 0.038 0.000 1.264 523 F CB -0.389 38.654 39.000 0.072 0.000 1.001 523 F HN 0.197 nan 8.300 nan 0.000 0.479 524 L N -0.034 121.162 121.223 -0.045 0.000 2.042 524 L HA -0.169 4.170 4.340 -0.001 0.000 0.210 524 L C 2.218 178.966 176.870 -0.203 0.000 1.076 524 L CA 1.717 56.479 54.840 -0.130 0.000 0.749 524 L CB -1.083 40.963 42.059 -0.021 0.000 0.893 524 L HN 0.076 nan 8.230 nan 0.000 0.432 525 V N -0.548 119.275 119.914 -0.152 0.000 2.270 525 V HA -0.293 3.826 4.120 -0.001 0.000 0.245 525 V C 2.579 178.575 176.094 -0.162 0.000 1.043 525 V CA 1.935 64.147 62.300 -0.147 0.000 1.014 525 V CB -0.605 31.160 31.823 -0.097 0.000 0.645 525 V HN 0.419 nan 8.190 nan 0.000 0.447 526 L N 0.588 121.709 121.223 -0.169 0.000 2.043 526 L HA -0.146 4.193 4.340 -0.001 0.000 0.212 526 L C 2.630 179.357 176.870 -0.239 0.000 1.075 526 L CA 1.883 56.621 54.840 -0.169 0.000 0.752 526 L CB -1.180 40.804 42.059 -0.125 0.000 0.891 526 L HN 0.479 nan 8.230 nan 0.000 0.432 527 G N 0.284 108.837 108.800 -0.411 0.000 2.433 527 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.216 527 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.216 527 G C 1.566 176.372 174.900 -0.156 0.000 1.186 527 G CA 0.834 45.712 45.100 -0.370 0.000 0.779 527 G HN 0.307 nan 8.290 nan 0.000 0.543 528 I N 1.948 122.441 120.570 -0.129 0.000 2.248 528 I HA -0.240 3.930 4.170 -0.001 0.000 0.248 528 I C 3.050 179.133 176.117 -0.056 0.000 1.107 528 I CA 1.610 62.874 61.300 -0.060 0.000 1.373 528 I CB -0.302 37.602 38.000 -0.161 0.000 1.055 528 I HN 0.359 nan 8.210 nan 0.000 0.418 529 S N 0.190 115.839 115.700 -0.086 0.000 2.500 529 S HA -0.084 4.385 4.470 -0.001 0.000 0.239 529 S C 1.670 176.238 174.600 -0.054 0.000 0.989 529 S CA 0.745 58.906 58.200 -0.066 0.000 0.951 529 S CB -0.084 63.073 63.200 -0.072 0.000 0.759 529 S HN 0.315 nan 8.310 nan 0.000 0.523 530 K N 0.167 120.533 120.400 -0.058 0.000 2.374 530 K HA 0.337 4.656 4.320 -0.001 0.000 0.202 530 K C 1.239 177.825 176.600 -0.023 0.000 1.040 530 K CA 0.601 56.860 56.287 -0.047 0.000 1.085 530 K CB 0.584 33.045 32.500 -0.065 0.000 0.873 530 K HN 0.535 nan 8.250 nan 0.000 0.539 531 G N 1.290 110.087 108.800 -0.005 0.000 2.192 531 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.193 531 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.193 531 G C -0.179 174.751 174.900 0.049 0.000 0.999 531 G CA -0.238 44.873 45.100 0.018 0.000 0.659 531 G HN 0.184 nan 8.290 nan 0.000 0.503 532 L N 2.747 124.007 121.223 0.062 0.000 2.601 532 L HA 0.483 4.822 4.340 -0.001 0.000 0.277 532 L C 1.556 178.534 176.870 0.179 0.000 1.219 532 L CA 1.570 56.475 54.840 0.109 0.000 0.915 532 L CB 0.817 42.954 42.059 0.131 0.000 1.160 532 L HN 0.594 nan 8.230 nan 0.000 0.494 533 S N 1.326 117.047 115.700 0.035 0.000 2.539 533 S HA 0.364 4.833 4.470 -0.001 0.000 0.221 533 S C 0.515 174.829 174.600 -0.476 0.000 0.987 533 S CA 0.164 58.320 58.200 -0.074 0.000 0.929 533 S CB 0.039 63.227 63.200 -0.022 0.000 0.832 533 S HN 0.709 nan 8.310 nan 0.000 0.492 534 S N -0.415 114.932 115.700 -0.588 0.000 2.615 534 S HA 0.759 5.228 4.470 -0.001 0.000 0.268 534 S C -1.978 172.391 174.600 -0.386 0.000 1.146 534 S CA 0.010 57.768 58.200 -0.736 0.000 0.818 534 S CB 1.129 64.252 63.200 -0.128 0.000 1.111 534 S HN 1.279 nan 8.310 nan 0.000 0.465 535 A N 1.721 124.411 122.820 -0.217 0.000 2.594 535 A HA 0.661 4.981 4.320 -0.001 0.000 0.296 535 A C -1.689 175.932 177.584 0.062 0.000 1.061 535 A CA -0.622 51.447 52.037 0.053 0.000 0.689 535 A CB 0.875 20.042 19.000 0.279 0.000 1.280 535 A HN 0.751 nan 8.150 nan 0.000 0.406 536 I N 3.631 124.245 120.570 0.073 0.000 2.307 536 I HA 0.438 4.607 4.170 -0.001 0.000 0.287 536 I C 0.255 176.414 176.117 0.071 0.000 1.054 536 I CA 0.008 61.340 61.300 0.053 0.000 1.218 536 I CB 0.399 38.416 38.000 0.029 0.000 1.398 536 I HN 0.808 nan 8.210 nan 0.000 0.475 537 M N 3.682 123.326 119.600 0.074 0.000 2.744 537 M HA 0.523 5.003 4.480 -0.001 0.000 0.283 537 M C -1.131 175.201 176.300 0.052 0.000 1.275 537 M CA -0.898 54.446 55.300 0.073 0.000 0.796 537 M CB 1.954 34.614 32.600 0.101 0.000 1.739 537 M HN 0.184 nan 8.290 nan 0.000 0.454 538 N N 3.157 121.883 118.700 0.043 0.000 2.482 538 N HA 0.279 5.019 4.740 -0.001 0.000 0.242 538 N C -1.978 173.549 175.510 0.028 0.000 1.100 538 N CA -1.897 51.171 53.050 0.030 0.000 0.946 538 N CB 0.549 39.049 38.487 0.022 0.000 1.227 538 N HN 0.441 nan 8.380 nan 0.000 0.508 539 P HA -0.108 nan 4.420 nan 0.000 0.231 539 P C 0.794 178.105 177.300 0.018 0.000 1.158 539 P CA 0.560 63.678 63.100 0.029 0.000 0.763 539 P CB 0.453 32.173 31.700 0.033 0.000 0.805 540 L N -0.327 120.905 121.223 0.015 0.000 2.558 540 L HA 0.131 4.470 4.340 -0.001 0.000 0.225 540 L C 1.123 177.995 176.870 0.002 0.000 1.128 540 L CA 0.785 55.632 54.840 0.010 0.000 0.868 540 L CB -1.141 40.926 42.059 0.013 0.000 1.006 540 L HN -0.111 nan 8.230 nan 0.000 0.454 541 D N 0.381 120.780 120.400 -0.001 0.000 2.470 541 D HA -0.030 4.609 4.640 -0.001 0.000 0.226 541 D C 1.165 177.449 176.300 -0.026 0.000 1.196 541 D CA 0.140 54.129 54.000 -0.018 0.000 0.979 541 D CB 0.572 41.358 40.800 -0.022 0.000 1.059 541 D HN 0.091 nan 8.370 nan 0.000 0.515 542 E N 1.703 121.888 120.200 -0.024 0.000 2.103 542 E HA -0.253 4.096 4.350 -0.001 0.000 0.229 542 E C 1.597 178.174 176.600 -0.038 0.000 1.061 542 E CA 2.052 58.437 56.400 -0.025 0.000 0.916 542 E CB -0.490 29.197 29.700 -0.022 0.000 0.806 542 E HN 0.544 nan 8.360 nan 0.000 0.489 543 T N 2.416 116.935 114.554 -0.058 0.000 2.597 543 T HA -0.238 4.112 4.350 -0.001 0.000 0.267 543 T C 1.980 176.634 174.700 -0.076 0.000 1.053 543 T CA 1.819 63.872 62.100 -0.077 0.000 1.165 543 T CB -0.666 68.123 68.868 -0.132 0.000 0.863 543 T HN 0.102 nan 8.240 nan 0.000 0.427 544 L N 0.490 121.664 121.223 -0.082 0.000 2.021 544 L HA -0.137 4.202 4.340 -0.001 0.000 0.215 544 L C 2.284 179.126 176.870 -0.048 0.000 1.074 544 L CA 1.927 56.730 54.840 -0.061 0.000 0.760 544 L CB -0.748 41.289 42.059 -0.037 0.000 0.889 544 L HN 0.174 nan 8.230 nan 0.000 0.433 545 M N -0.588 118.991 119.600 -0.034 0.000 2.062 545 M HA -0.202 4.277 4.480 -0.001 0.000 0.259 545 M C 2.292 178.567 176.300 -0.041 0.000 1.076 545 M CA 1.770 57.054 55.300 -0.027 0.000 1.122 545 M CB -1.141 31.453 32.600 -0.010 0.000 1.312 545 M HN 0.237 nan 8.290 nan 0.000 0.412 546 K N -0.581 119.797 120.400 -0.036 0.000 2.089 546 K HA -0.171 4.148 4.320 -0.001 0.000 0.210 546 K C 1.987 178.558 176.600 -0.048 0.000 1.048 546 K CA 2.040 58.305 56.287 -0.036 0.000 0.926 546 K CB -0.423 32.060 32.500 -0.030 0.000 0.714 546 K HN 0.365 nan 8.250 nan 0.000 0.448 547 T N 1.904 116.425 114.554 -0.056 0.000 2.746 547 T HA -0.138 4.212 4.350 -0.001 0.000 0.267 547 T C 1.740 176.386 174.700 -0.089 0.000 1.039 547 T CA 1.205 63.267 62.100 -0.064 0.000 1.142 547 T CB -0.250 68.581 68.868 -0.062 0.000 0.866 547 T HN 0.155 nan 8.240 nan 0.000 0.444 548 L N 2.178 123.336 121.223 -0.109 0.000 1.990 548 L HA -0.166 4.173 4.340 -0.001 0.000 0.213 548 L C 2.047 178.814 176.870 -0.173 0.000 1.072 548 L CA 2.177 56.911 54.840 -0.177 0.000 0.755 548 L CB -1.001 40.946 42.059 -0.187 0.000 0.889 548 L HN 0.210 nan 8.230 nan 0.000 0.432 549 N N -0.254 118.379 118.700 -0.111 0.000 2.058 549 N HA -0.188 4.552 4.740 -0.001 0.000 0.191 549 N C 1.866 177.331 175.510 -0.075 0.000 1.037 549 N CA 1.864 54.865 53.050 -0.081 0.000 0.848 549 N CB -0.437 38.022 38.487 -0.046 0.000 1.021 549 N HN 0.521 nan 8.380 nan 0.000 0.422 550 A N -0.750 122.031 122.820 -0.065 0.000 1.997 550 A HA -0.199 4.120 4.320 -0.001 0.000 0.221 550 A C 2.249 179.794 177.584 -0.064 0.000 1.172 550 A CA 2.324 54.328 52.037 -0.055 0.000 0.645 550 A CB -1.318 17.653 19.000 -0.047 0.000 0.813 550 A HN 0.510 nan 8.150 nan 0.000 0.454 551 T N 0.262 114.762 114.554 -0.090 0.000 2.812 551 T HA -0.022 4.328 4.350 -0.001 0.000 0.264 551 T C 1.800 176.444 174.700 -0.093 0.000 1.042 551 T CA 1.297 63.338 62.100 -0.099 0.000 1.140 551 T CB -0.348 68.436 68.868 -0.139 0.000 0.870 551 T HN 0.398 nan 8.240 nan 0.000 0.445 552 L N 0.832 121.991 121.223 -0.107 0.000 2.042 552 L HA -0.101 4.239 4.340 -0.001 0.000 0.210 552 L C 2.682 179.526 176.870 -0.043 0.000 1.076 552 L CA 0.954 55.749 54.840 -0.076 0.000 0.749 552 L CB -0.827 41.191 42.059 -0.068 0.000 0.893 552 L HN 0.143 nan 8.230 nan 0.000 0.432 553 V N -0.041 119.848 119.914 -0.042 0.000 2.295 553 V HA -0.288 3.832 4.120 -0.001 0.000 0.246 553 V C 2.339 178.416 176.094 -0.028 0.000 1.049 553 V CA 1.817 64.100 62.300 -0.029 0.000 1.024 553 V CB -0.309 31.497 31.823 -0.028 0.000 0.648 553 V HN 0.240 nan 8.190 nan 0.000 0.447 554 I N -0.493 120.056 120.570 -0.035 0.000 2.226 554 I HA -0.175 3.994 4.170 -0.001 0.000 0.245 554 I C 1.814 177.914 176.117 -0.029 0.000 1.100 554 I CA 1.353 62.634 61.300 -0.032 0.000 1.374 554 I CB -0.293 37.685 38.000 -0.037 0.000 1.057 554 I HN 0.182 nan 8.210 nan 0.000 0.413 555 L N 0.584 121.787 121.223 -0.034 0.000 2.627 555 L HA 0.059 4.399 4.340 -0.001 0.000 0.233 555 L C 0.160 177.021 176.870 -0.016 0.000 1.144 555 L CA 0.571 55.395 54.840 -0.027 0.000 0.892 555 L CB -2.015 40.025 42.059 -0.032 0.000 1.039 555 L HN 0.401 nan 8.230 nan 0.000 0.442 556 E N 0.325 120.516 120.200 -0.015 0.000 2.689 556 E HA -0.252 4.097 4.350 -0.001 0.000 0.165 556 E C 0.488 177.088 176.600 -0.000 0.000 1.609 556 E CA 0.342 56.738 56.400 -0.008 0.000 0.674 556 E CB -1.027 28.669 29.700 -0.006 0.000 1.103 556 E HN 0.459 nan 8.360 nan 0.000 0.373 557 K N 0.026 120.427 120.400 0.002 0.000 2.601 557 K HA 0.202 4.521 4.320 -0.001 0.000 0.214 557 K C 0.274 176.890 176.600 0.026 0.000 1.628 557 K CA -0.143 56.156 56.287 0.019 0.000 1.036 557 K CB 1.061 33.576 32.500 0.025 0.000 1.352 557 K HN 0.140 nan 8.250 nan 0.000 0.607 558 K N 0.000 120.406 120.400 0.011 0.000 2.780 558 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 558 K CA 0.000 56.293 56.287 0.010 0.000 0.838 558 K CB 0.000 32.518 32.500 0.031 0.000 1.064 558 K HN 0.000 nan 8.250 nan 0.000 0.543